| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.8 | Very low | 49.7 | Very low | 240 Ų | 240 | 140.7 Ų | 140.7 | 100% | 1.182 | 80% | 0.802 | S | S | * | * | 0 | 127.4 | 0 | -79.2 | 170.9 | 151.2 | 0 | 0 | 107.5 | V3 | M1-V3 PolarHBondContact O-N 2.97Š| |||
| 2 | L | 42.5 | Very low | 50.2 | Low | 169 Ų | 169 | 142.4 Ų | 142.4 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -60 | 121.6 | -162.9 | -73.5 | 144.5 | 0 | 0 | 0 | 112.6 | N4 | L2-N4 PolarHBondContact O-N 2.97Š| ||
| 3 | V | 45.1 | Very low | 50.3 | Low | 141 Ų | 141 | 143.5 Ų | 143.5 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -78.5 | 100.2 | 169.9 | -178.8 | 0 | 0 | 0 | 0 | 106.8 | M1 G5 | M1-V3 PolarHBondContact O-N 2.97Å; V3-G5 PolarHBondContact O-N 3.33Å; V3-G5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | N | 48.1 | Very low | 50.6 | Low | 143 Ų | 143 | 139.9 Ų | 139.9 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -70.6 | 100.7 | 175.3 | -79.4 | -30 | 0 | 0 | 0 | 109.3 | L2 I6 | L2-N4 PolarHBondContact O-N 2.97Å; N4-I6 PolarHBondContact O-N 2.87Å | ||
| 5 | G | 44.3 | Very low | 50.9 | Low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -68.7 | 107.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V3 S7 | V3-G5 PolarHBondContact O-N 3.33Å; V3-G5 VanDerWaalsContact O-N 3.08Å; G5-S7 PolarHBondContact O-N 3.41Å | ||
| 6 | I | 54.5 | Low | 51.1 | Low | 147 Ų | 147 | 141.6 Ų | 141.6 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -84.3 | 93.1 | 167.8 | -55.2 | 176.2 | 0 | 0 | 0 | 106.5 | N4 V8 | N4-I6 PolarHBondContact O-N 2.87Å; I6-V8 VanDerWaalsContact C-N 3.28Å; I6-V8 HydrophobicContact CG2-CG2 3.58Å; I6-V8 PolarHBondContact O-N 3.25Å | ||
| 7 | S | 54 | Low | 51.5 | Low | 114 Ų | 114 | 141.7 Ų | 141.7 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -75.3 | 85 | 167.5 | 64.7 | 0 | 0 | 0 | 0 | 108.5 | G5 S9 | G5-S7 PolarHBondContact O-N 3.41Å; S7-S9 PolarHBondContact O-N 3.28Å | ||
| 8 | V | 55.6 | Low | 51.8 | Low | 116 Ų | 116 | 140.3 Ų | 140.3 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | trans | -68.7 | 104.6 | 168.1 | -174.3 | 0 | 0 | 0 | 0 | 106.8 | I6 F10 | I6-V8 VanDerWaalsContact C-N 3.28Å; I6-V8 HydrophobicContact CG2-CG2 3.58Å; I6-V8 PolarHBondContact O-N 3.25Å; V8-F10 PolarHBondContact O-N 3.28Å; V8-F10 VanDerWaalsContact O-N 3.17Å | ||
| 9 | S | 54.1 | Low | 52 | Low | 86 Ų | 86 | 139.1 Ų | 139.1 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | trans | -59.5 | 114.9 | -179.6 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | S7 N11 | S7-S9 PolarHBondContact O-N 3.28Å; S9-N11 PolarHBondContact O-N 3.08Å | ||
| 10 | F | 55 | Low | 52.3 | Low | 189 Ų | 189 | 142.4 Ų | 142.4 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -2.2 | -176.8 | -118.4 | -102.3 | 0 | 0 | 0 | 114.8 | V8 | V8-F10 PolarHBondContact O-N 3.28Å; V8-F10 VanDerWaalsContact O-N 3.17Å |
| 11 | N | 51.6 | Low | 52.4 | Low | 130 Ų | 130 | 140.6 Ų | 140.6 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -1.3 | -171.8 | -83.4 | -22.2 | 0 | 0 | 0 | 115.6 | S9 | S9-N11 PolarHBondContact O-N 3.08Š|
| 12 | Q | 55.7 | Low | 53 | Low | 161 Ų | 161 | 134.5 Ų | 134.5 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -95.8 | -13 | 177.1 | -70.6 | -71.1 | -18.4 | 0 | 0 | 113.5 | ||
| 13 | L | 52.2 | Low | 53.5 | Low | 157 Ų | 157 | 135.1 Ų | 135.1 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -82.3 | -21.7 | -178 | -144.3 | 81.5 | 0 | 0 | 0 | 113.1 | ||
| 14 | T | 54.3 | Low | 54 | Low | 93 Ų | 93 | 133.8 Ų | 133.8 | 57% | 0.571 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -81.6 | -17 | -172.2 | -15.8 | 0 | 0 | 0 | 0 | 114 | ||
| 15 | L | 54.1 | Low | 54.7 | Low | 157 Ų | 157 | 133.4 Ų | 133.4 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -91.5 | -10.1 | -177.3 | -146.9 | 79.6 | 0 | 0 | 0 | 113.8 | I17 | L15-I17 VanDerWaalsContact C-N 3.3Š|
| 16 | M | 55 | Low | 56 | Low | 149 Ų | 149 | 132.5 Ų | 132.5 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -94 | 23.8 | 174.5 | -104.3 | -121.8 | -78.5 | 0 | 0 | 112.9 | L18 | M16-L18 HydrophobicContact CG-CD1 4.16Å; M16-L18 PolarHBondContact O-N 3.03Å; M16-L18 HydrophobicContact SD-CD1 3.7Å |
| 17 | I | 57.4 | Low | 57.6 | Low | 144 Ų | 144 | 128.6 Ų | 128.6 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | -77.5 | 63.6 | 154.2 | -55.1 | 173.1 | 0 | 0 | 0 | 106 | L15 C19 | L15-I17 VanDerWaalsContact C-N 3.3Å; I17-C19 PolarHBondContact O-N 3.17Å | ||
| 18 | L | 57.3 | Low | 59.4 | Low | 117 Ų | 117 | 124.7 Ų | 124.7 | 61% | 0.613 | 66% | 0.663 | S | S | * | * | trans | -61.4 | 121.2 | 172.2 | -79.5 | 161.8 | 0 | 0 | 0 | 107.1 | M16 F20 | M16-L18 HydrophobicContact CG-CD1 4.16Å; M16-L18 PolarHBondContact O-N 3.03Å; M16-L18 HydrophobicContact SD-CD1 3.7Å; L18-F20 PolarHBondContact O-N 3.25Å | ||
| 19 | C | 56.3 | Low | 61.2 | Low | 117 Ų | 117 | 121.3 Ų | 121.3 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | trans | -10.6 | 87.9 | 155.6 | -74.4 | 0 | 0 | 0 | 0 | 113.9 | I17 C21 | I17-C19 PolarHBondContact O-N 3.17Å; C19-C21 PolarHBondContact O-N 2.83Å | ||
| 20 | F | 56.8 | Low | 63.1 | Low | 204 Ų | 204 | 118.4 Ų | 118.4 | 90% | 0.895 | 62% | 0.623 | S | S | * | * | trans | -67.4 | 85.5 | 147 | -81.3 | -89.9 | 0 | 0 | 0 | 104.8 | L18 P22 | L18-F20 PolarHBondContact O-N 3.25Å; F20-P22 WeakPolarHBondContact O-CD 3.3Å; F20-P22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | C | 54.3 | Low | 64.9 | Low | 105 Ų | 105 | 118 Ų | 118 | 71% | 0.709 | 62% | 0.621 | S | S | * | * | trans | -61.7 | 107.7 | 156.2 | -84.6 | 0 | 0 | 0 | 0 | 104.3 | C19 R23 | C19-C21 PolarHBondContact O-N 2.83Å; C21-R23 PolarHBondContact O-N 3.34Å | ||
| 22 | P | 54 | Low | 66.9 | Low | 113 Ų | 113 | 115.2 Ų | 115.2 | 73% | 0.734 | 61% | 0.609 | S | S | * | * | trans | -51.7 | 122.4 | 162.6 | 24.3 | -31.9 | 0 | 0 | 0 | 105 | F20 S24 | F20-P22 WeakPolarHBondContact O-CD 3.3Å; F20-P22 VanDerWaalsContact O-N 3.1Å; P22-S24 VanDerWaalsContact C-N 3.32Å; P22-S24 PolarHBondContact O-N 2.94Å | ||
| 23 | R | 55.1 | Low | 68.8 | Low | 182 Ų | 182 | 107.5 Ų | 107.5 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | trans | -48.5 | 106.8 | 173.1 | -98.9 | 178.8 | 169.6 | 137.9 | -8.6 | 105.1 | C21 F25 D45 | C21-R23 PolarHBondContact O-N 3.34Å; R23-F25 PolarHBondContact O-N 3.16Å; R23-D45 IonicContact CZ-OD2 2.94Å; R23-D45 IonicContact NH1-OD2 3.91Å; R23-D45 PolarHBondContact NH1-OD2 2.83Å; R23-D45 IonicContact NH2-OD2 3.98Å; R23-D45 PolarHBondContact NH2-OD2 3.28Å | ||
| 24 | S | 55.5 | Low | 70.8 | Confident | 112 Ų | 112 | 100 Ų | 100 | 78% | 0.783 | 53% | 0.534 | S | S | * | . | trans | -62.9 | 115.6 | -179.6 | 178.5 | 0 | 0 | 0 | 0 | 105.4 | P22 S26 | P22-S24 VanDerWaalsContact C-N 3.32Å; P22-S24 PolarHBondContact O-N 2.94Å; S24-S26 PolarHBondContact O-N 3.09Å; S24-S26 VanDerWaalsContact O-N 3.11Å | ||
| 25 | F | 62.4 | Low | 72.6 | Confident | 136 Ų | 136 | 96.3 Ų | 96.3 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | trans | -52.8 | 123.1 | 173.3 | -73.6 | -61.4 | 0 | 0 | 0 | 108.3 | R23 | R23-F25 PolarHBondContact O-N 3.16Š| ||
| 26 | S | 71.6 | Confident | 74.2 | Confident | 54 Ų | 54 | 89.8 Ų | 89.8 | 38% | 0.378 | 48% | 0.476 | S | S | . | . | trans | -87.5 | 124.2 | -180 | -163.4 | 0 | 0 | 0 | 0 | 107.7 | S24 W28 | S24-S26 PolarHBondContact O-N 3.09Å; S24-S26 VanDerWaalsContact O-N 3.11Å; S26-W28 PolarHBondContact O-N 3.41Å; S26-W28 PolarHBondContact O-NE1 3.47Å | ||
| 27 | D | 86.6 | Confident | 75.5 | Confident | 65 Ų | 65 | 90.6 Ų | 90.6 | 35% | 0.348 | 47% | 0.471 | S | S | . | . | trans | -72.7 | 108.2 | 168.2 | -77.3 | -13.3 | 0 | 0 | 0 | 107.8 | K112 K114 | D27-K112 VanDerWaalsContact CG-NZ 3.26Å; D27-K112 VanDerWaalsContact OD1-CD 3.25Å; D27-K112 WeakPolarHBondContact OD1-CD 3.26Å; D27-K112 WeakPolarHBondContact OD1-CE 3.35Å; D27-K112 WeakPolarHBondContact OD1-CG 3.45Å; D27-K112 IonicContact OD1-NZ 2.83Å; D27-K112 PolarHBondContact OD1-NZ 3.22Å; D27-K112 IonicContact OD2-NZ 2.84Å; D27-K112 PolarHBondContact OD2-NZ 3.42Å; D27-K114 HydrophobicContact CB-CB 3.87Å; D27-K114 HydrophobicContact CB-CG 4.27Å | ||
| 28 | W | 93.6 | Very high | 76.7 | Confident | 32 Ų | 32 | 87.8 Ų | 87.8 | 12% | 0.121 | 46% | 0.464 | C | S | . | . | B | Isolated β-bridge | trans | -80.6 | 136.3 | -170.3 | -60.1 | 98.1 | 0 | 0 | 0 | 112.6 | S26 T32 Y33 P34 P56 D57 V110 K112 L113 K114 | S26-W28 PolarHBondContact O-N 3.41Å; S26-W28 PolarHBondContact O-NE1 3.47Å; W28-T32 VanDerWaalsContact CZ3-O 3.29Å; W28-T32 WeakPolarHBondContact CZ3-O 3.46Å; W28-Y33 HydrophobicContact CB-CD2 3.95Å; W28-Y33 AromaticContact CD2-CD2 3.89Å; W28-Y33 HydrophobicContact CD2-CD2 3.89Å; W28-Y33 HydrophobicContact CD2-CE2 4.49Å; W28-Y33 HydrophobicContact CE3-CD2 4.14Å; W28-Y33 AromaticContact CG-CD2 3.83Å; W28-Y33 HydrophobicContact CG-CD2 3.83Å; W28-Y33 HydrophobicContact CG-CE2 4.37Å; W28-P34 HydrophobicContact CH2-CG 4.19Å; W28-P34 HydrophobicContact CZ3-CG 4.18Å; W28-P56 HydrophobicContact CH2-CB 4.01Å; W28-P56 HydrophobicContact CH2-CG 4.29Å; W28-P56 HydrophobicContact CZ2-CB 3.6Å; W28-P56 HydrophobicContact CZ2-CG 3.7Å; W28-D57 PolarHBondContact NE1-OD1 3.08Å; W28-D57 PolarHBondContact NE1-OD2 2.86Å; W28-V110 HydrophobicContact CB-CG2 3.89Å; W28-V110 HydrophobicContact CG-CG2 3.77Å; W28-K112 PolarHBondContact N-O 3.45Å; W28-K112 VanDerWaalsContact N-O 3.09Å; W28-L113 HydrophobicContact CB-CD2 4.23Å; W28-L113 CarbonylContact O-C 3.56Å; W28-L113 WeakPolarHBondContact O-CA 3.44Å; W28-K114 PolarHBondContact O-N 2.9Å |
| 29 | T | 93.2 | Very high | 77.7 | Confident | 45 Ų | 45 | 85.5 Ų | 85.5 | 28% | 0.276 | 45% | 0.451 | S | S | . | . | trans | -106.5 | 161.1 | 161.7 | 68.1 | 0 | 0 | 0 | 0 | 109.4 | K31 T32 Y33 K114 | T29-K31 PolarHBondContact O-N 3.03Å; T29-K31 VanDerWaalsContact O-N 3.08Å; T29-K31 PolarHBondContact OG1-N 2.99Å; T29-T32 PolarHBondContact N-OG1 3.4Å; T29-T32 PolarHBondContact O-N 3.46Å; T29-T32 VanDerWaalsContact O-N 3.08Å; T29-T32 PolarHBondContact O-OG1 2.8Å; T29-T32 WeakPolarHBondContact OG1-CG2 3.39Å; T29-T32 PolarHBondContact OG1-N 3.03Å; T29-T32 VanDerWaalsContact OG1-N 3.17Å; T29-T32 PolarHBondContact OG1-OG1 2.83Å; T29-Y33 WeakPolarHBondContact O-CB 3.36Å; T29-Y33 PolarHBondContact O-N 3.25Å; T29-K114 HydrophobicContact CG2-CB 3.81Å; T29-K114 HydrophobicContact CG2-CD 3.93Å; T29-K114 HydrophobicContact CG2-CG 4.38Å | ||
| 30 | A | 94 | Very high | 78.9 | Confident | 24 Ų | 24 | 81.5 Ų | 81.5 | 20% | 0.198 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F132 A135 V136 R139 | A30-F132 HydrophobicContact CB-CD2 3.87Å; A30-F132 HydrophobicContact CB-CE2 4.24Å; A30-F132 HydrophobicContact CB-CG 4.46Å; A30-A135 HydrophobicContact CB-CB 3.61Å; A30-V136 HydrophobicContact CB-CG2 4.02Å; A30-R139 PolarHBondContact O-NH1 3.28Å; A30-R139 PolarHBondContact O-NH2 3.17Å |
| 31 | K | 92.2 | Very high | 80.2 | Confident | 180 Ų | 180 | 79.1 Ų | 79.1 | 78% | 0.783 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -33.7 | 177.6 | -176.6 | 179.5 | 177.4 | -176.3 | 0 | 112.9 | T29 R139 | T29-K31 PolarHBondContact O-N 3.03Å; T29-K31 VanDerWaalsContact O-N 3.08Å; T29-K31 PolarHBondContact OG1-N 2.99Å; K31-R139 PolarHBondContact O-NH1 3.01Å |
| 32 | T | 92.8 | Very high | 82 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -12.8 | -175.9 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | W28 T29 | W28-T32 VanDerWaalsContact CZ3-O 3.29Å; W28-T32 WeakPolarHBondContact CZ3-O 3.46Å; T29-T32 PolarHBondContact N-OG1 3.4Å; T29-T32 PolarHBondContact O-N 3.46Å; T29-T32 VanDerWaalsContact O-N 3.08Å; T29-T32 PolarHBondContact O-OG1 2.8Å; T29-T32 WeakPolarHBondContact OG1-CG2 3.39Å; T29-T32 PolarHBondContact OG1-N 3.03Å; T29-T32 VanDerWaalsContact OG1-N 3.17Å; T29-T32 PolarHBondContact OG1-OG1 2.83Å |
| 33 | Y | 95.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -61.4 | 142.2 | 174 | -163.5 | -102.8 | 0 | 0 | 0 | 109.1 | W28 T29 C54 P56 A108 L109 V110 F132 V136 R139 W140 | W28-Y33 HydrophobicContact CB-CD2 3.95Å; W28-Y33 AromaticContact CD2-CD2 3.89Å; W28-Y33 HydrophobicContact CD2-CD2 3.89Å; W28-Y33 HydrophobicContact CD2-CE2 4.49Å; W28-Y33 HydrophobicContact CE3-CD2 4.14Å; W28-Y33 AromaticContact CG-CD2 3.83Å; W28-Y33 HydrophobicContact CG-CD2 3.83Å; W28-Y33 HydrophobicContact CG-CE2 4.37Å; T29-Y33 WeakPolarHBondContact O-CB 3.36Å; T29-Y33 PolarHBondContact O-N 3.25Å; Y33-C54 HydrophobicContact CE1-CB 4.01Å; Y33-C54 PolarHBondContact OH-O 3.23Å; Y33-P56 HydrophobicContact CD2-CG 4.36Å; Y33-P56 HydrophobicContact CE2-CG 3.64Å; Y33-P56 VanDerWaalsContact OH-CD 3.3Å; Y33-P56 WeakPolarHBondContact OH-CD 3.46Å; Y33-A108 HydrophobicContact CE1-CB 3.86Å; Y33-L109 PolarHBondContact OH-N 2.88Å; Y33-L109 VanDerWaalsContact OH-N 3.16Å; Y33-L109 PolarHBondContact OH-O 3.09Å; Y33-V110 HydrophobicContact CE2-CB 4.08Å; Y33-V110 HydrophobicContact CE2-CG2 4.1Å; Y33-F132 HydrophobicContact CD1-CZ 4.32Å; Y33-F132 AromaticContact CD2-CZ 3.76Å; Y33-F132 HydrophobicContact CD2-CZ 3.76Å; Y33-F132 HydrophobicContact CE2-CZ 4.33Å; Y33-F132 AromaticContact CG-CZ 3.73Å; Y33-F132 HydrophobicContact CG-CZ 3.73Å; Y33-V136 HydrophobicContact CD1-CG1 4.21Å; Y33-V136 HydrophobicContact CD1-CG2 4.42Å; Y33-R139 VanDerWaalsContact O-CZ 3.23Å; Y33-R139 PolarHBondContact O-NH1 2.92Å; Y33-R139 PolarHBondContact O-NH2 3.13Å; Y33-W140 AromaticContact CD1-CZ2 3.94Å; Y33-W140 HydrophobicContact CD1-CZ2 3.94Å; Y33-W140 HydrophobicContact CE1-CH2 4.09Å; Y33-W140 AromaticContact CE1-CZ2 3.73Å; Y33-W140 HydrophobicContact CE1-CZ2 3.73Å |
| 34 | P | 94.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -60 | 152.3 | -177 | -28.2 | 38.1 | 0 | 0 | 0 | 113.4 | W28 E42 P56 R139 W140 | W28-P34 HydrophobicContact CH2-CG 4.19Å; W28-P34 HydrophobicContact CZ3-CG 4.18Å; P34-E42 HydrophobicContact CB-CB 3.86Å; P34-E42 HydrophobicContact CG-CB 3.93Å; P34-E42 WeakPolarHBondContact CG-O 3.44Å; P34-P56 HydrophobicContact CG-CB 4.05Å; P34-P56 HydrophobicContact CG-CG 4.26Å; P34-R139 PolarHBondContact O-NH2 3.01Å; P34-W140 PolarHBondContact O-NE1 3.08Å |
| 35 | D | 91.3 | Very high | 87.2 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 8% | 0.08 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 124.7 | 175.5 | -162.1 | -61.5 | 0 | 0 | 0 | 111.7 | R37 S38 E39 A40 R139 | D35-R37 PolarHBondContact O-N 3.06Å; D35-R37 VanDerWaalsContact O-N 3.16Å; D35-R37 WeakPolarHBondContact OD1-CB 3.48Å; D35-R37 PolarHBondContact OD1-N 3.12Å; D35-S38 WeakPolarHBondContact CB-OG 3.41Å; D35-E39 CarbonylContact O-C 3.54Å; D35-E39 WeakPolarHBondContact O-CA 3.28Å; D35-E39 PolarHBondContact O-N 2.95Å; D35-A40 PolarHBondContact O-N 2.97Å; D35-R139 IonicContact OD2-NE 3.03Å |
| 36 | L | 89.2 | Confident | 88.6 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.6 | 179.1 | -76.9 | 176.4 | 0 | 0 | 0 | 113.5 | C43 S51 C54 T106 W140 L142 | L36-C43 HydrophobicContact CD2-CB 4.46Å; L36-C43 VanDerWaalsContact CD2-SG 3.6Å; L36-S51 WeakPolarHBondContact CD2-O 3.4Å; L36-C54 HydrophobicContact CD2-CB 3.87Å; L36-C54 HydrophobicContact CG-CB 4.25Å; L36-T106 HydrophobicContact CD1-CG2 4.25Å; L36-W140 HydrophobicContact CB-CD2 4.45Å; L36-W140 HydrophobicContact CD1-CD2 3.99Å; L36-W140 HydrophobicContact CD1-CE3 3.57Å; L36-W140 HydrophobicContact CD1-CH2 3.75Å; L36-W140 HydrophobicContact CD1-CZ2 4.14Å; L36-W140 HydrophobicContact CD1-CZ3 3.45Å; L36-W140 VanDerWaalsContact CD1-CZ3 3.45Å; L36-W140 HydrophobicContact CG-CD2 4.17Å; L36-W140 HydrophobicContact CG-CE3 4.22Å; L36-W140 HydrophobicContact CG-CH2 3.96Å; L36-W140 HydrophobicContact CG-CZ2 3.89Å; L36-W140 HydrophobicContact CG-CZ3 4.13Å; L36-L142 HydrophobicContact CB-CD1 4.29Å; L36-L142 HydrophobicContact CD1-CD1 3.75Å |
| 37 | R | 81.8 | Confident | 89.6 | Confident | 167 Ų | 167 | 57.3 Ų | 57.3 | 63% | 0.63 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -43 | -176.6 | -61.8 | -176.2 | 68.4 | 147.7 | 4.5 | 113 | D35 W140 A141 L142 | D35-R37 PolarHBondContact O-N 3.06Å; D35-R37 VanDerWaalsContact O-N 3.16Å; D35-R37 WeakPolarHBondContact OD1-CB 3.48Å; D35-R37 PolarHBondContact OD1-N 3.12Å; R37-W140 WeakPolarHBondContact CD-O 3.37Å; R37-A141 PolarHBondContact NH1-O 3.5Å; R37-L142 HydrophobicContact CG-CD2 3.84Å |
| 38 | S | 81.7 | Confident | 89.4 | Confident | 84 Ų | 84 | 56.2 Ų | 56.2 | 59% | 0.587 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -28.3 | -175.1 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | D35 | D35-S38 WeakPolarHBondContact CB-OG 3.41Š|
| 39 | E | 80.1 | Confident | 88.7 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | trans | -132.5 | 37.5 | -166.8 | -68.4 | 163.7 | -172.7 | 0 | 0 | 110.6 | D35 F41 E42 | D35-E39 CarbonylContact O-C 3.54Å; D35-E39 WeakPolarHBondContact O-CA 3.28Å; D35-E39 PolarHBondContact O-N 2.95Å; E39-F41 PolarHBondContact O-N 3.35Å; E39-E42 HydrophobicContact CB-CB 4.29Å; E39-E42 HydrophobicContact CB-CG 4.14Å; E39-E42 WeakPolarHBondContact O-CB 3.12Å; E39-E42 PolarHBondContact O-N 3.04Å | ||
| 40 | A | 79.9 | Confident | 88.1 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D35 E42 C43 | D35-A40 PolarHBondContact O-N 2.97Å; A40-E42 VanDerWaalsContact C-N 3.34Å; A40-C43 WeakPolarHBondContact O-CB 3.39Å; A40-C43 PolarHBondContact O-N 2.78Å |
| 41 | F | 85.3 | Confident | 87.8 | Confident | 153 Ų | 153 | 66.2 Ų | 66.2 | 67% | 0.671 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -24.4 | 176.1 | 65.5 | -87.9 | 0 | 0 | 0 | 113.5 | E39 C43 | E39-F41 PolarHBondContact O-N 3.35Å; F41-C43 VanDerWaalsContact C-N 3.3Å |
| 42 | E | 91.1 | Very high | 87.8 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -17.1 | 176.9 | -59.7 | -168.3 | -177.6 | 0 | 0 | 112.1 | P34 E39 A40 G44 P56 | P34-E42 HydrophobicContact CB-CB 3.86Å; P34-E42 HydrophobicContact CG-CB 3.93Å; P34-E42 WeakPolarHBondContact CG-O 3.44Å; E39-E42 HydrophobicContact CB-CB 4.29Å; E39-E42 HydrophobicContact CB-CG 4.14Å; E39-E42 WeakPolarHBondContact O-CB 3.12Å; E39-E42 PolarHBondContact O-N 3.04Å; A40-E42 VanDerWaalsContact C-N 3.34Å; E42-G44 PolarHBondContact O-N 2.95Å; E42-P56 WeakPolarHBondContact O-CB 3.33Å |
| 43 | C | 93.3 | Very high | 88 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11.2 | 174.8 | -84.3 | 0 | 0 | 0 | 0 | 114.1 | L36 A40 F41 L47 C54 D55 P56 | L36-C43 HydrophobicContact CD2-CB 4.46Å; L36-C43 VanDerWaalsContact CD2-SG 3.6Å; A40-C43 WeakPolarHBondContact O-CB 3.39Å; A40-C43 PolarHBondContact O-N 2.78Å; F41-C43 VanDerWaalsContact C-N 3.3Å; C43-L47 HydrophobicContact CB-CD1 3.92Å; C43-L47 WeakPolarHBondContact O-CD1 3.39Å; C43-C54 WeakPolarHBondContact CA-SG 3.47Å; C43-C54 HydrophobicContact CB-CB 3.83Å; C43-C54 WeakPolarHBondContact CB-SG 3.27Å; C43-C54 WeakPolarHBondContact SG-CB 3.27Å; C43-C54 CovalentContact SG-SG 2.05Å; C43-C54 PolarHBondContact SG-SG 2.89Å; C43-D55 CarbonylContact O-C 3.57Å; C43-D55 WeakPolarHBondContact O-CA 3.39Å; C43-D55 PolarHBondContact O-N 3.45Å; C43-P56 WeakPolarHBondContact O-CA 3.39Å |
| 44 | G | 91.5 | Very high | 88 | Confident | 7 Ų | 7 | 55 Ų | 55 | 7% | 0.072 | 27% | 0.265 | C | S | . | . | trans | 138.4 | 130.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E42 H46 L47 | E42-G44 PolarHBondContact O-N 2.95Å; G44-H46 PolarHBondContact O-N 3.18Å; G44-L47 WeakPolarHBondContact O-CB 3.39Å; G44-L47 PolarHBondContact O-N 2.76Å | ||
| 45 | D | 90.2 | Very high | 88.1 | Confident | 104 Ų | 104 | 55 Ų | 55 | 56% | 0.556 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.7 | -179.6 | 52.6 | 17.7 | 0 | 0 | 0 | 113.6 | R23 L47 H58 | R23-D45 IonicContact CZ-OD2 2.94Å; R23-D45 IonicContact NH1-OD2 3.91Å; R23-D45 PolarHBondContact NH1-OD2 2.83Å; R23-D45 IonicContact NH2-OD2 3.98Å; R23-D45 PolarHBondContact NH2-OD2 3.28Å; D45-L47 VanDerWaalsContact C-N 3.35Å; D45-H58 IonicContact OD1-CD2 2.72Å; D45-H58 IonicContact OD1-CE1 3.33Å; D45-H58 IonicContact OD1-NE2 2.87Å; D45-H58 PolarHBondContact OD1-NE2 2.93Å |
| 46 | H | 91.8 | Very high | 88.3 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 9% | 0.088 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -5.4 | 172.4 | 60.6 | -60.3 | 0 | 0 | 0 | 113.7 | G44 D55 H58 R62 | G44-H46 PolarHBondContact O-N 3.18Å; H46-D55 PolarHBondContact CE1-O 2.91Å; H46-D55 VanDerWaalsContact CE1-O 3.23Å; H46-D55 IonicContact CE1-OD2 2.75Å; H46-D55 IonicContact NE2-OD2 2.9Å; H46-D55 PolarHBondContact NE2-OD2 3Å; H46-H58 AromaticContact CE1-CD2 3.46Å; H46-H58 PolarHBondContact CE1-CD2 3.46Å; H46-H58 VanDerWaalsContact CE1-CD2 3.46Å; H46-H58 AromaticContact CE1-CG 3.96Å; H46-H58 AromaticContact CE1-NE2 3.9Å; H46-H58 AromaticContact CG-CD2 3.97Å; H46-H58 AromaticContact ND1-CD2 3.23Å; H46-H58 PolarHBondContact ND1-CD2 2.76Å; H46-H58 AromaticContact ND1-NE2 3.44Å; H46-H58 PolarHBondContact ND1-NE2 3.49Å; H46-R62 HydrophobicContact CB-CB 4.12Å; H46-R62 HydrophobicContact CB-CG 4.42Å |
| 47 | L | 90.9 | Very high | 88.6 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.12 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -93.1 | 149 | -177.2 | -65.1 | 170 | 0 | 0 | 0 | 112.6 | C43 G44 D45 L53 D55 A65 | C43-L47 HydrophobicContact CB-CD1 3.92Å; C43-L47 WeakPolarHBondContact O-CD1 3.39Å; G44-L47 WeakPolarHBondContact O-CB 3.39Å; G44-L47 PolarHBondContact O-N 2.76Å; D45-L47 VanDerWaalsContact C-N 3.35Å; L47-L53 WeakPolarHBondContact CD1-O 3.38Å; L47-L53 HydrophobicContact CD2-CB 4.36Å; L47-L53 HydrophobicContact CD2-CD2 3.58Å; L47-L53 HydrophobicContact CD2-CG 3.9Å; L47-D55 HydrophobicContact CD1-CB 4.46Å; L47-A65 HydrophobicContact CD2-CB 3.71Å |
| 48 | P | 83.5 | Confident | 89.3 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 28% | 0.279 | 25% | 0.251 | S | S | . | . | trans | -67.3 | 154.5 | 169.2 | 29.2 | -33.3 | 0 | 0 | 0 | 111.1 | H50 S51 N69 | P48-H50 VanDerWaalsContact C-N 3.29Å; P48-H50 PolarHBondContact O-N 3.16Å; P48-S51 WeakPolarHBondContact O-CB 3.41Å; P48-N69 HydrophobicContact CG-CB 4.49Å; P48-N69 WeakPolarHBondContact CG-ND2 3.34Å | ||
| 49 | R | 78.2 | Confident | 90 | Very high | 218 Ų | 218 | 47.2 Ų | 47.2 | 82% | 0.823 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -56.9 | -35 | -175 | -80.5 | -172.8 | 173.9 | -165.7 | -1.5 | 114.9 | ||
| 50 | H | 80.8 | Confident | 90.9 | Very high | 77 Ų | 77 | 44.3 Ų | 44.3 | 36% | 0.356 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -117 | 91.6 | 176.4 | -57.1 | -63.5 | 0 | 0 | 0 | 108.4 | P48 G93 | P48-H50 VanDerWaalsContact C-N 3.29Å; P48-H50 PolarHBondContact O-N 3.16Å; H50-G93 WeakPolarHBondContact CB-O 3.3Å; H50-G93 PolarHBondContact CD2-O 3.07Å; H50-G93 VanDerWaalsContact CG-O 3.29Å |
| 51 | S | 87.6 | Confident | 91.6 | Very high | 16 Ų | 16 | 46 Ų | 46 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | trans | -118.1 | 144.2 | -174.7 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | L36 P48 L53 N69 | L36-S51 WeakPolarHBondContact CD2-O 3.4Å; P48-S51 WeakPolarHBondContact O-CB 3.41Å; S51-L53 VanDerWaalsContact C-N 3.25Å; S51-L53 WeakPolarHBondContact OG-CA 2.95Å; S51-L53 WeakPolarHBondContact OG-CB 3.37Å; S51-L53 PolarHBondContact OG-N 3.39Å; S51-L53 PolarHBondContact OG-O 3.3Å; S51-N69 VanDerWaalsContact CA-OD1 3.27Å; S51-N69 WeakPolarHBondContact CA-OD1 3.42Å; S51-N69 PolarHBondContact OG-OD1 3.4Å | ||
| 52 | F | 93.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 7% | 0.07 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -90.8 | 4.8 | 166 | -63.7 | -68.2 | 0 | 0 | 0 | 112 | N69 L72 Y73 F99 V104 T106 V107 | F52-N69 PolarHBondContact N-OD1 2.96Å; F52-L72 HydrophobicContact CB-CB 3.91Å; F52-L72 HydrophobicContact CB-CD1 3.84Å; F52-L72 HydrophobicContact CB-CG 4.39Å; F52-L72 HydrophobicContact CD2-CB 4.22Å; F52-L72 HydrophobicContact CG-CB 4.47Å; F52-Y73 HydrophobicContact CE2-CD2 4.48Å; F52-F99 HydrophobicContact CE2-CZ 4.15Å; F52-F99 AromaticContact CZ-CZ 3.94Å; F52-F99 HydrophobicContact CZ-CZ 3.94Å; F52-V104 HydrophobicContact CD1-CG1 4.11Å; F52-V104 HydrophobicContact CE1-CG1 3.96Å; F52-T106 HydrophobicContact CB-CG2 4.4Å; F52-T106 HydrophobicContact CD1-CG2 4.28Å; F52-T106 CarbonylContact O-C 3.55Å; F52-T106 WeakPolarHBondContact O-CA 3.36Å; F52-T106 WeakPolarHBondContact O-CB 3.38Å; F52-V107 PolarHBondContact O-N 2.99Å |
| 53 | L | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.9 | -176.8 | 172.6 | 70.2 | 0 | 0 | 0 | 109.1 | L47 S51 L60 A65 V68 L72 V107 L109 | L47-L53 WeakPolarHBondContact CD1-O 3.38Å; L47-L53 HydrophobicContact CD2-CB 4.36Å; L47-L53 HydrophobicContact CD2-CD2 3.58Å; L47-L53 HydrophobicContact CD2-CG 3.9Å; S51-L53 VanDerWaalsContact C-N 3.25Å; S51-L53 WeakPolarHBondContact OG-CA 2.95Å; S51-L53 WeakPolarHBondContact OG-CB 3.37Å; S51-L53 PolarHBondContact OG-N 3.39Å; S51-L53 PolarHBondContact OG-O 3.3Å; L53-L60 HydrophobicContact CD1-CD1 4.39Å; L53-L60 HydrophobicContact CD2-CD1 4.03Å; L53-A65 HydrophobicContact CD2-CB 3.77Å; L53-V68 HydrophobicContact CD1-CG1 4.23Å; L53-V68 HydrophobicContact CD2-CB 4.24Å; L53-V68 HydrophobicContact CD2-CG1 4.12Å; L53-L72 HydrophobicContact CB-CD1 4.09Å; L53-V107 HydrophobicContact CD1-CB 3.49Å; L53-V107 VanDerWaalsContact CD1-CB 3.49Å; L53-V107 HydrophobicContact CD1-CG1 3.4Å; L53-V107 VanDerWaalsContact CD1-CG1 3.4Å; L53-V107 HydrophobicContact CD1-CG2 4.41Å; L53-L109 HydrophobicContact CD1-CD1 3.53Å |
| 54 | C | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.5 | 172.2 | -166.2 | 0 | 0 | 0 | 0 | 109.4 | Y33 L36 C43 V107 L109 W140 | Y33-C54 HydrophobicContact CE1-CB 4.01Å; Y33-C54 PolarHBondContact OH-O 3.23Å; L36-C54 HydrophobicContact CD2-CB 3.87Å; L36-C54 HydrophobicContact CG-CB 4.25Å; C43-C54 WeakPolarHBondContact CA-SG 3.47Å; C43-C54 HydrophobicContact CB-CB 3.83Å; C43-C54 WeakPolarHBondContact CB-SG 3.27Å; C43-C54 WeakPolarHBondContact SG-CB 3.27Å; C43-C54 CovalentContact SG-SG 2.05Å; C43-C54 PolarHBondContact SG-SG 2.89Å; C54-V107 PolarHBondContact N-O 3.41Å; C54-L109 PolarHBondContact O-N 3.2Å; C54-W140 HydrophobicContact CB-CH2 3.61Å; C54-W140 HydrophobicContact CB-CZ2 3.81Å |
| 55 | D | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -137.7 | 63.8 | -174.3 | -178.3 | 24.9 | 0 | 0 | 0 | 111.4 | C43 H46 L47 D57 H58 L59 L60 L109 | C43-D55 CarbonylContact O-C 3.57Å; C43-D55 WeakPolarHBondContact O-CA 3.39Å; C43-D55 PolarHBondContact O-N 3.45Å; H46-D55 PolarHBondContact CE1-O 2.91Å; H46-D55 VanDerWaalsContact CE1-O 3.23Å; H46-D55 IonicContact CE1-OD2 2.75Å; H46-D55 IonicContact NE2-OD2 2.9Å; H46-D55 PolarHBondContact NE2-OD2 3Å; L47-D55 HydrophobicContact CD1-CB 4.46Å; D55-D57 PolarHBondContact O-N 2.92Å; D55-D57 VanDerWaalsContact O-N 3.07Å; D55-H58 PolarHBondContact O-N 3.45Å; D55-H58 PolarHBondContact OD1-N 2.87Å; D55-L59 VanDerWaalsContact CG-N 3.35Å; D55-L59 WeakPolarHBondContact OD1-CB 3.21Å; D55-L59 PolarHBondContact OD1-N 3.14Å; D55-L59 PolarHBondContact OD2-N 2.85Å; D55-L59 VanDerWaalsContact OD2-N 3.08Å; D55-L60 PolarHBondContact OD2-N 3.05Å; D55-L109 HydrophobicContact CB-CB 4.04Å; D55-L109 HydrophobicContact CB-CD1 3.78Å; D55-L109 WeakPolarHBondContact OD1-CB 3.19Å | ||
| 56 | P | 95.6 | Very high | 92.9 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -13.4 | -172.8 | 29.7 | -37.9 | 0 | 0 | 0 | 113.8 | W28 Y33 P34 E42 C43 | W28-P56 HydrophobicContact CH2-CB 4.01Å; W28-P56 HydrophobicContact CH2-CG 4.29Å; W28-P56 HydrophobicContact CZ2-CB 3.6Å; W28-P56 HydrophobicContact CZ2-CG 3.7Å; Y33-P56 HydrophobicContact CD2-CG 4.36Å; Y33-P56 HydrophobicContact CE2-CG 3.64Å; Y33-P56 VanDerWaalsContact OH-CD 3.3Å; Y33-P56 WeakPolarHBondContact OH-CD 3.46Å; P34-P56 HydrophobicContact CG-CB 4.05Å; P34-P56 HydrophobicContact CG-CG 4.26Å; E42-P56 WeakPolarHBondContact O-CB 3.33Å; C43-P56 WeakPolarHBondContact O-CA 3.39Å |
| 57 | D | 95.8 | Very high | 93.1 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.059 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 3.2 | -177.3 | -76.6 | -39.7 | 0 | 0 | 0 | 113.6 | W28 D55 L59 R111 | W28-D57 PolarHBondContact NE1-OD1 3.08Å; W28-D57 PolarHBondContact NE1-OD2 2.86Å; D55-D57 PolarHBondContact O-N 2.92Å; D55-D57 VanDerWaalsContact O-N 3.07Å; D57-L59 HydrophobicContact CB-CD2 4.24Å; D57-L59 HydrophobicContact CB-CG 4.32Å; D57-L59 PolarHBondContact O-N 2.83Å; D57-R111 HydrophobicContact CB-CB 3.94Å; D57-R111 PolarHBondContact O-NH1 2.97Å; D57-R111 PolarHBondContact O-NH2 2.89Å; D57-R111 VanDerWaalsContact O-NH2 3.14Å; D57-R111 WeakPolarHBondContact OD2-CB 3.46Å; D57-R111 PolarHBondContact OD2-N 3.32Å |
| 58 | H | 95.9 | Very high | 93.4 | Very high | 69 Ų | 69 | 47.4 Ų | 47.4 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | trans | 53.8 | 49.3 | -179.7 | -57.6 | 80.1 | 0 | 0 | 0 | 112.4 | D45 H46 D55 L60 | D45-H58 IonicContact OD1-CD2 2.72Å; D45-H58 IonicContact OD1-CE1 3.33Å; D45-H58 IonicContact OD1-NE2 2.87Å; D45-H58 PolarHBondContact OD1-NE2 2.93Å; H46-H58 AromaticContact CE1-CD2 3.46Å; H46-H58 PolarHBondContact CE1-CD2 3.46Å; H46-H58 VanDerWaalsContact CE1-CD2 3.46Å; H46-H58 AromaticContact CE1-CG 3.96Å; H46-H58 AromaticContact CE1-NE2 3.9Å; H46-H58 AromaticContact CG-CD2 3.97Å; H46-H58 AromaticContact ND1-CD2 3.23Å; H46-H58 PolarHBondContact ND1-CD2 2.76Å; H46-H58 AromaticContact ND1-NE2 3.44Å; H46-H58 PolarHBondContact ND1-NE2 3.49Å; D55-H58 PolarHBondContact O-N 3.45Å; D55-H58 PolarHBondContact OD1-N 2.87Å; H58-L60 VanDerWaalsContact C-N 3.27Å | ||
| 59 | L | 97.1 | Very high | 93.9 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | trans | -73 | -24 | 174.6 | -60.6 | -164.8 | 0 | 0 | 0 | 112.1 | D55 D57 L109 R111 E155 Y193 | D55-L59 VanDerWaalsContact CG-N 3.35Å; D55-L59 WeakPolarHBondContact OD1-CB 3.21Å; D55-L59 PolarHBondContact OD1-N 3.14Å; D55-L59 PolarHBondContact OD2-N 2.85Å; D55-L59 VanDerWaalsContact OD2-N 3.08Å; D57-L59 HydrophobicContact CB-CD2 4.24Å; D57-L59 HydrophobicContact CB-CG 4.32Å; D57-L59 PolarHBondContact O-N 2.83Å; L59-L109 HydrophobicContact CB-CB 4.37Å; L59-L109 HydrophobicContact CB-CD2 4.09Å; L59-L109 HydrophobicContact CD1-CB 4.05Å; L59-L109 HydrophobicContact CD1-CD2 3.99Å; L59-L109 HydrophobicContact CG-CB 4.37Å; L59-R111 HydrophobicContact CD2-CB 4.32Å; L59-E155 HydrophobicContact CD1-CB 3.99Å; L59-Y193 HydrophobicContact CB-CD2 4.1Å; L59-Y193 HydrophobicContact CB-CE2 4Å; L59-Y193 HydrophobicContact CD1-CE2 4.23Å | ||
| 60 | L | 97.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -107.5 | 149.7 | 173.5 | -64.9 | 179.6 | 0 | 0 | 0 | 111 | L53 D55 H58 D64 A65 V68 L109 L197 | L53-L60 HydrophobicContact CD1-CD1 4.39Å; L53-L60 HydrophobicContact CD2-CD1 4.03Å; D55-L60 PolarHBondContact OD2-N 3.05Å; H58-L60 VanDerWaalsContact C-N 3.27Å; L60-D64 HydrophobicContact CB-CB 4.17Å; L60-D64 HydrophobicContact CD2-CB 4.17Å; L60-A65 HydrophobicContact CB-CB 4.16Å; L60-A65 HydrophobicContact CD1-CB 4.45Å; L60-V68 HydrophobicContact CD1-CG2 4.19Å; L60-L109 HydrophobicContact CD1-CD1 3.52Å; L60-L109 HydrophobicContact CG-CD1 3.77Å; L60-L197 HydrophobicContact CD1-CD1 4.13Å |
| 61 | T | 96.4 | Very high | 95.4 | Very high | 69 Ų | 69 | 40.5 Ų | 40.5 | 42% | 0.423 | 19% | 0.188 | S | C | . | . | trans | -68.7 | 166.1 | 164.6 | 67.3 | 0 | 0 | 0 | 0 | 110.1 | E63 D64 A65 | T61-E63 VanDerWaalsContact C-N 3.29Å; T61-E63 PolarHBondContact O-N 3.5Å; T61-D64 PolarHBondContact O-N 3.46Å; T61-D64 WeakPolarHBondContact OG1-CB 3.37Å; T61-D64 PolarHBondContact OG1-N 2.94Å; T61-D64 PolarHBondContact OG1-OD1 3.36Å; T61-D64 PolarHBondContact OG1-OD2 2.91Å; T61-A65 VanDerWaalsContact O-CB 3.25Å; T61-A65 WeakPolarHBondContact O-CB 3.37Å; T61-A65 PolarHBondContact O-N 3.06Å | ||
| 62 | R | 95.4 | Very high | 95.8 | Very high | 147 Ų | 147 | 39.8 Ų | 39.8 | 56% | 0.555 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -58.7 | -45.2 | 176.2 | 179.1 | 176.5 | 177.4 | 163.5 | 2.6 | 111.1 | H46 A65 E66 | H46-R62 HydrophobicContact CB-CB 4.12Å; H46-R62 HydrophobicContact CB-CG 4.42Å; R62-A65 PolarHBondContact O-N 2.77Å; R62-E66 HydrophobicContact CG-CG 4.48Å; R62-E66 IonicContact CZ-OE1 3.69Å; R62-E66 IonicContact NE-OE1 3.4Å; R62-E66 PolarHBondContact NE-OE1 3.45Å; R62-E66 IonicContact NH2-OE1 3.73Å; R62-E66 WeakPolarHBondContact O-CB 3.44Å; R62-E66 WeakPolarHBondContact O-CG 3.25Å; R62-E66 PolarHBondContact O-N 3Å |
| 63 | E | 96.1 | Very high | 95.8 | Very high | 125 Ų | 125 | 42.6 Ų | 42.6 | 58% | 0.584 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64.2 | -42.6 | -178.5 | -63.9 | 70.6 | -155.9 | 0 | 0 | 111.3 | T61 S67 | T61-E63 VanDerWaalsContact C-N 3.29Å; T61-E63 PolarHBondContact O-N 3.5Å; E63-S67 WeakPolarHBondContact O-CB 3.45Å; E63-S67 PolarHBondContact O-N 3.29Å |
| 64 | D | 97.3 | Very high | 95.8 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 177.2 | -61.3 | -26.8 | 0 | 0 | 0 | 111.1 | L60 T61 S67 V68 L194 | L60-D64 HydrophobicContact CB-CB 4.17Å; L60-D64 HydrophobicContact CD2-CB 4.17Å; T61-D64 PolarHBondContact O-N 3.46Å; T61-D64 WeakPolarHBondContact OG1-CB 3.37Å; T61-D64 PolarHBondContact OG1-N 2.94Å; T61-D64 PolarHBondContact OG1-OD1 3.36Å; T61-D64 PolarHBondContact OG1-OD2 2.91Å; D64-S67 WeakPolarHBondContact O-CB 3.46Å; D64-S67 PolarHBondContact O-N 2.84Å; D64-V68 WeakPolarHBondContact O-CG2 3.46Å; D64-V68 PolarHBondContact O-N 3.26Å; D64-L194 HydrophobicContact CB-CB 4.4Å; D64-L194 HydrophobicContact CB-CD1 4.29Å; D64-L194 HydrophobicContact CB-CD2 4.48Å; D64-L194 WeakPolarHBondContact OD1-CD2 3.03Å |
| 65 | A | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | L47 L53 L60 T61 R62 S67 V68 N69 | L47-A65 HydrophobicContact CD2-CB 3.71Å; L53-A65 HydrophobicContact CD2-CB 3.77Å; L60-A65 HydrophobicContact CB-CB 4.16Å; L60-A65 HydrophobicContact CD1-CB 4.45Å; T61-A65 VanDerWaalsContact O-CB 3.25Å; T61-A65 WeakPolarHBondContact O-CB 3.37Å; T61-A65 PolarHBondContact O-N 3.06Å; R62-A65 PolarHBondContact O-N 2.77Å; A65-S67 VanDerWaalsContact C-N 3.34Å; A65-V68 PolarHBondContact O-N 2.82Å; A65-N69 VanDerWaalsContact O-CB 3.3Å; A65-N69 WeakPolarHBondContact O-CB 3.34Å; A65-N69 PolarHBondContact O-N 3.25Å |
| 66 | E | 93.9 | Very high | 95.6 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 39% | 0.388 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.3 | -41 | 172.6 | -74.7 | 176.8 | -172.7 | 0 | 0 | 111.4 | R62 N69 R70 | R62-E66 HydrophobicContact CG-CG 4.48Å; R62-E66 IonicContact CZ-OE1 3.69Å; R62-E66 IonicContact NE-OE1 3.4Å; R62-E66 PolarHBondContact NE-OE1 3.45Å; R62-E66 IonicContact NH2-OE1 3.73Å; R62-E66 WeakPolarHBondContact O-CB 3.44Å; R62-E66 WeakPolarHBondContact O-CG 3.25Å; R62-E66 PolarHBondContact O-N 3Å; E66-N69 PolarHBondContact O-N 2.84Å; E66-R70 WeakPolarHBondContact O-CB 3.33Å; E66-R70 PolarHBondContact O-N 3.48Å |
| 67 | S | 95.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -46.3 | 176.9 | -166.2 | 0 | 0 | 0 | 0 | 112.6 | E63 D64 A65 R70 R71 | E63-S67 WeakPolarHBondContact O-CB 3.45Å; E63-S67 PolarHBondContact O-N 3.29Å; D64-S67 WeakPolarHBondContact O-CB 3.46Å; D64-S67 PolarHBondContact O-N 2.84Å; A65-S67 VanDerWaalsContact C-N 3.34Å; S67-R70 PolarHBondContact O-N 2.91Å; S67-R70 PolarHBondContact OG-NH2 3.34Å; S67-R70 VanDerWaalsContact OG-NH2 3.15Å; S67-R71 PolarHBondContact O-N 3.25Å; S67-R71 VanDerWaalsContact O-N 3.14Å |
| 68 | V | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 176.2 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | L53 L60 D64 A65 R70 R71 L72 L194 L197 | L53-V68 HydrophobicContact CD1-CG1 4.23Å; L53-V68 HydrophobicContact CD2-CB 4.24Å; L53-V68 HydrophobicContact CD2-CG1 4.12Å; L60-V68 HydrophobicContact CD1-CG2 4.19Å; D64-V68 WeakPolarHBondContact O-CG2 3.46Å; D64-V68 PolarHBondContact O-N 3.26Å; A65-V68 PolarHBondContact O-N 2.82Å; V68-R70 VanDerWaalsContact C-N 3.29Å; V68-R70 PolarHBondContact O-N 3.44Å; V68-R71 PolarHBondContact O-N 3.49Å; V68-R71 VanDerWaalsContact O-N 3.12Å; V68-L72 HydrophobicContact CG1-CD1 3.87Å; V68-L72 HydrophobicContact CG1-CG 4.31Å; V68-L72 WeakPolarHBondContact O-CG 3.45Å; V68-L72 PolarHBondContact O-N 3.16Å; V68-L194 HydrophobicContact CG2-CD1 3.75Å; V68-L197 HydrophobicContact CG1-CD1 4.12Å; V68-L197 HydrophobicContact CG2-CB 4.17Å; V68-L197 HydrophobicContact CG2-CD1 3.93Å |
| 69 | N | 94.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -38.1 | -179.5 | -170 | 55.2 | 0 | 0 | 0 | 112.1 | P48 S51 F52 A65 E66 L72 Y73 | P48-N69 HydrophobicContact CG-CB 4.49Å; P48-N69 WeakPolarHBondContact CG-ND2 3.34Å; S51-N69 VanDerWaalsContact CA-OD1 3.27Å; S51-N69 WeakPolarHBondContact CA-OD1 3.42Å; S51-N69 PolarHBondContact OG-OD1 3.4Å; F52-N69 PolarHBondContact N-OD1 2.96Å; A65-N69 VanDerWaalsContact O-CB 3.3Å; A65-N69 WeakPolarHBondContact O-CB 3.34Å; A65-N69 PolarHBondContact O-N 3.25Å; E66-N69 PolarHBondContact O-N 2.84Å; N69-L72 PolarHBondContact O-N 2.9Å; N69-Y73 PolarHBondContact O-N 2.85Å |
| 70 | R | 94.3 | Very high | 95.1 | Very high | 129 Ų | 129 | 50 Ų | 50 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61 | -45.7 | 173.1 | -175.9 | 179.8 | 62.9 | -105.7 | -7.9 | 111.7 | E66 S67 V68 L72 Y73 E74 | E66-R70 WeakPolarHBondContact O-CB 3.33Å; E66-R70 PolarHBondContact O-N 3.48Å; S67-R70 PolarHBondContact O-N 2.91Å; S67-R70 PolarHBondContact OG-NH2 3.34Å; S67-R70 VanDerWaalsContact OG-NH2 3.15Å; V68-R70 VanDerWaalsContact C-N 3.29Å; V68-R70 PolarHBondContact O-N 3.44Å; R70-L72 PolarHBondContact O-N 3.07Å; R70-Y73 WeakPolarHBondContact O-CB 3.44Å; R70-Y73 PolarHBondContact O-N 3.02Å; R70-E74 WeakPolarHBondContact O-CG 3.25Å; R70-E74 PolarHBondContact O-N 3.22Å |
| 71 | R | 96.2 | Very high | 94.8 | Very high | 58 Ų | 58 | 51.8 Ų | 51.8 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 177.2 | -73.6 | -176.4 | 174.1 | -112 | 12.3 | 112.8 | S67 V68 E74 L75 E198 L201 D202 | S67-R71 PolarHBondContact O-N 3.25Å; S67-R71 VanDerWaalsContact O-N 3.14Å; V68-R71 PolarHBondContact O-N 3.49Å; V68-R71 VanDerWaalsContact O-N 3.12Å; R71-E74 PolarHBondContact O-N 3.42Å; R71-L75 WeakPolarHBondContact O-CB 3.43Å; R71-L75 PolarHBondContact O-N 3.24Å; R71-E198 IonicContact CZ-OE1 2.77Å; R71-E198 IonicContact NE-OE1 3.22Å; R71-E198 PolarHBondContact NE-OE1 2.89Å; R71-E198 IonicContact NH2-OE1 2.82Å; R71-E198 PolarHBondContact NH2-OE1 3.29Å; R71-L201 HydrophobicContact CB-CD1 3.65Å; R71-D202 IonicContact NH1-OD1 2.71Å; R71-D202 PolarHBondContact NH1-OD1 2.99Å; R71-D202 IonicContact NH1-OD2 3.05Å |
| 72 | L | 96 | Very high | 94.5 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.1 | -70.6 | 166.9 | 0 | 0 | 0 | 111.3 | F52 L53 V68 N69 R70 L75 A76 T105 V107 L201 | F52-L72 HydrophobicContact CB-CB 3.91Å; F52-L72 HydrophobicContact CB-CD1 3.84Å; F52-L72 HydrophobicContact CB-CG 4.39Å; F52-L72 HydrophobicContact CD2-CB 4.22Å; F52-L72 HydrophobicContact CG-CB 4.47Å; L53-L72 HydrophobicContact CB-CD1 4.09Å; V68-L72 HydrophobicContact CG1-CD1 3.87Å; V68-L72 HydrophobicContact CG1-CG 4.31Å; V68-L72 WeakPolarHBondContact O-CG 3.45Å; V68-L72 PolarHBondContact O-N 3.16Å; N69-L72 PolarHBondContact O-N 2.9Å; R70-L72 PolarHBondContact O-N 3.07Å; L72-L75 PolarHBondContact O-N 3Å; L72-A76 PolarHBondContact O-N 3.35Å; L72-T105 HydrophobicContact CD2-CG2 4.07Å; L72-T105 WeakPolarHBondContact CD2-O 3.34Å; L72-V107 HydrophobicContact CD1-CB 4.41Å; L72-V107 HydrophobicContact CD1-CG2 3.83Å; L72-V107 HydrophobicContact CD2-CG2 3.94Å; L72-V107 HydrophobicContact CG-CG2 4.45Å; L72-L201 HydrophobicContact CD2-CD1 4.1Å; L72-L201 HydrophobicContact CD2-CD2 3.49Å; L72-L201 VanDerWaalsContact CD2-CD2 3.49Å; L72-L201 HydrophobicContact CD2-CG 4.44Å; L72-L201 HydrophobicContact CG-CD1 4.15Å; L72-L201 HydrophobicContact CG-CD2 4.4Å |
| 73 | Y | 93.6 | Very high | 94.2 | Very high | 75 Ų | 75 | 45 Ų | 45 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 173.7 | 175.4 | -93.2 | 0 | 0 | 0 | 111.8 | F52 N69 R70 L75 A76 V77 P94 F99 | F52-Y73 HydrophobicContact CE2-CD2 4.48Å; N69-Y73 PolarHBondContact O-N 2.85Å; R70-Y73 WeakPolarHBondContact O-CB 3.44Å; R70-Y73 PolarHBondContact O-N 3.02Å; Y73-L75 VanDerWaalsContact C-N 3.32Å; Y73-L75 PolarHBondContact O-N 2.99Å; Y73-A76 PolarHBondContact O-N 2.75Å; Y73-A76 VanDerWaalsContact O-N 3.13Å; Y73-V77 HydrophobicContact CD1-CG1 4.49Å; Y73-V77 HydrophobicContact CD2-CG1 4.49Å; Y73-V77 HydrophobicContact CE1-CG1 4.01Å; Y73-V77 HydrophobicContact CE1-CG2 4.29Å; Y73-V77 HydrophobicContact CE2-CG1 4.02Å; Y73-V77 PolarHBondContact O-N 2.87Å; Y73-P94 HydrophobicContact CD2-CG 4.28Å; Y73-F99 HydrophobicContact CD2-CE1 4.24Å; Y73-F99 AromaticContact CD2-CE2 3.76Å; Y73-F99 HydrophobicContact CD2-CE2 3.76Å; Y73-F99 AromaticContact CD2-CZ 3.6Å; Y73-F99 HydrophobicContact CD2-CZ 3.6Å; Y73-F99 HydrophobicContact CE2-CD1 4.03Å; Y73-F99 AromaticContact CE2-CD2 3.74Å; Y73-F99 HydrophobicContact CE2-CD2 3.74Å; Y73-F99 AromaticContact CE2-CE1 3.8Å; Y73-F99 HydrophobicContact CE2-CE1 3.8Å; Y73-F99 AromaticContact CE2-CE2 3.38Å; Y73-F99 HydrophobicContact CE2-CE2 3.38Å; Y73-F99 HydrophobicContact CE2-CG 4.01Å; Y73-F99 AromaticContact CE2-CZ 3.44Å; Y73-F99 HydrophobicContact CE2-CZ 3.44Å; Y73-F99 VanDerWaalsContact CE2-CZ 3.44Å |
| 74 | E | 94.3 | Very high | 93.9 | Very high | 81 Ų | 81 | 47.8 Ų | 47.8 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.7 | -41.9 | 177.1 | -74.9 | 172.6 | -166.8 | 0 | 0 | 112.2 | R70 R71 A76 V77 S78 | R70-E74 WeakPolarHBondContact O-CG 3.25Å; R70-E74 PolarHBondContact O-N 3.22Å; R71-E74 PolarHBondContact O-N 3.42Å; E74-A76 VanDerWaalsContact C-N 3.34Å; E74-A76 PolarHBondContact O-N 2.82Å; E74-V77 WeakPolarHBondContact O-CG2 3.4Å; E74-V77 PolarHBondContact O-N 3.31Å; E74-S78 WeakPolarHBondContact O-CB 3.25Å; E74-S78 PolarHBondContact O-N 2.93Å; E74-S78 PolarHBondContact O-OG 3.23Å |
| 75 | L | 95.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 174.8 | -179.1 | 62.8 | 0 | 0 | 0 | 111.3 | R71 L72 Y73 V77 T79 T105 L201 L204 R205 Y208 | R71-L75 WeakPolarHBondContact O-CB 3.43Å; R71-L75 PolarHBondContact O-N 3.24Å; L72-L75 PolarHBondContact O-N 3Å; Y73-L75 VanDerWaalsContact C-N 3.32Å; Y73-L75 PolarHBondContact O-N 2.99Å; L75-V77 PolarHBondContact O-N 3.37Å; L75-T79 HydrophobicContact CD1-CG2 3.9Å; L75-T79 WeakPolarHBondContact O-CB 3.24Å; L75-T79 WeakPolarHBondContact O-CG2 3.47Å; L75-T79 PolarHBondContact O-N 3.42Å; L75-T79 PolarHBondContact O-OG1 2.9Å; L75-T105 WeakPolarHBondContact CD2-OG1 3.23Å; L75-L201 HydrophobicContact CD2-CD2 3.73Å; L75-L204 HydrophobicContact CD2-CB 4.24Å; L75-R205 VanDerWaalsContact CD1-CA 3.46Å; L75-R205 HydrophobicContact CD1-CB 3.69Å; L75-R205 HydrophobicContact CD1-CG 4.16Å; L75-Y208 HydrophobicContact CD1-CD2 3.96Å; L75-Y208 HydrophobicContact CD1-CE2 4.49Å; L75-Y208 HydrophobicContact CD2-CD2 4.46Å; L75-Y208 HydrophobicContact CD2-CE2 4.2Å; L75-Y208 HydrophobicContact CG-CD2 4.33Å; L75-Y208 HydrophobicContact CG-CE2 4.5Å |
| 76 | A | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L72 Y73 E74 V101 G102 F103 | L72-A76 PolarHBondContact O-N 3.35Å; Y73-A76 PolarHBondContact O-N 2.75Å; Y73-A76 VanDerWaalsContact O-N 3.13Å; E74-A76 VanDerWaalsContact C-N 3.34Å; E74-A76 PolarHBondContact O-N 2.82Å; A76-V101 HydrophobicContact CB-CB 4.3Å; A76-V101 HydrophobicContact CB-CG1 3.84Å; A76-V101 CarbonylContact O-C 3.51Å; A76-V101 WeakPolarHBondContact O-CA 3.5Å; A76-G102 PolarHBondContact O-N 3.29Å; A76-F103 WeakPolarHBondContact CA-O 3.19Å |
| 77 | V | 93.3 | Very high | 92.7 | Very high | 63 Ų | 63 | 62.7 Ų | 62.7 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -83.4 | -21.5 | -178.2 | -56.3 | 0 | 0 | 0 | 0 | 114.5 | Y73 E74 L75 F99 | Y73-V77 HydrophobicContact CD1-CG1 4.49Å; Y73-V77 HydrophobicContact CD2-CG1 4.49Å; Y73-V77 HydrophobicContact CE1-CG1 4.01Å; Y73-V77 HydrophobicContact CE1-CG2 4.29Å; Y73-V77 HydrophobicContact CE2-CG1 4.02Å; Y73-V77 PolarHBondContact O-N 2.87Å; E74-V77 WeakPolarHBondContact O-CG2 3.4Å; E74-V77 PolarHBondContact O-N 3.31Å; L75-V77 PolarHBondContact O-N 3.37Å; V77-F99 HydrophobicContact CG1-CD2 3.3Å; V77-F99 HydrophobicContact CG1-CE2 3.37Å; V77-F99 HydrophobicContact CG1-CG 4.49Å |
| 78 | S | 93.3 | Very high | 92.3 | Very high | 50 Ų | 50 | 64.9 Ų | 64.9 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -90.9 | -8.2 | -177.1 | 63 | 0 | 0 | 0 | 0 | 114 | E74 | E74-S78 WeakPolarHBondContact O-CB 3.25Å; E74-S78 PolarHBondContact O-N 2.93Å; E74-S78 PolarHBondContact O-OG 3.23Å |
| 79 | T | 94.1 | Very high | 92 | Very high | 12 Ų | 12 | 65 Ų | 65 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -102.9 | 153.8 | -177.1 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | L75 G102 F103 Y208 | L75-T79 HydrophobicContact CD1-CG2 3.9Å; L75-T79 WeakPolarHBondContact O-CB 3.24Å; L75-T79 WeakPolarHBondContact O-CG2 3.47Å; L75-T79 PolarHBondContact O-N 3.42Å; L75-T79 PolarHBondContact O-OG1 2.9Å; T79-G102 WeakPolarHBondContact O-CA 3.49Å; T79-F103 PolarHBondContact OG1-N 2.9Å; T79-Y208 HydrophobicContact CG2-CD2 4.1Å; T79-Y208 HydrophobicContact CG2-CG 4.34Å |
| 80 | P | 91.7 | Very high | 91.8 | Very high | 64 Ų | 64 | 67.4 Ų | 67.4 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -74 | 136 | -178.4 | 27 | -32.6 | 0 | 0 | 0 | 112.7 | Q82 G102 Y208 | P80-Q82 PolarHBondContact O-N 2.92Å; P80-Q82 PolarHBondContact O-NE2 2.89Å; P80-G102 WeakPolarHBondContact O-CA 3.35Å; P80-Y208 WeakPolarHBondContact CD-O 3.41Å |
| 81 | C | 92.1 | Very high | 91.5 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 31% | 0.311 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 122.3 | 169.9 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | C89 | C81-C89 HydrophobicContact CB-CB 3.69Å; C81-C89 WeakPolarHBondContact CB-SG 3.37Å; C81-C89 WeakPolarHBondContact SG-CB 3.5Å; C81-C89 CovalentContact SG-SG 2.01Å; C81-C89 PolarHBondContact SG-SG 3.22Å |
| 82 | Q | 89.4 | Confident | 90.8 | Very high | 58 Ų | 58 | 62.9 Ų | 62.9 | 27% | 0.271 | 32% | 0.316 | S | S | . | . | trans | -90.4 | -3 | 179.9 | -56.8 | -56.3 | -51.8 | 0 | 0 | 113.6 | P80 F103 V167 Y171 | P80-Q82 PolarHBondContact O-N 2.92Å; P80-Q82 PolarHBondContact O-NE2 2.89Å; Q82-F103 HydrophobicContact CG-CE1 3.82Å; Q82-F103 HydrophobicContact CG-CE2 3.81Å; Q82-F103 HydrophobicContact CG-CZ 3.32Å; Q82-V167 HydrophobicContact CB-CG1 3.87Å; Q82-V167 HydrophobicContact CG-CG1 3.92Å; Q82-Y171 VanDerWaalsContact CD-OH 3.28Å; Q82-Y171 PolarHBondContact NE2-OH 3.23Å; Q82-Y171 PolarHBondContact OE1-OH 3.46Å | ||
| 83 | C | 90.2 | Very high | 89.9 | Confident | 15 Ų | 15 | 63 Ų | 63 | 10% | 0.101 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -72 | 148.3 | 178.4 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | R85 Q88 C89 C145 | C83-R85 WeakPolarHBondContact CB-O 3.45Å; C83-R85 PolarHBondContact O-N 3.44Å; C83-Q88 HydrophobicContact CB-CB 3.89Å; C83-C89 PolarHBondContact SG-SG 3.27Å; C83-C145 WeakPolarHBondContact CA-SG 3.2Å; C83-C145 HydrophobicContact CB-CB 4.01Å; C83-C145 WeakPolarHBondContact CB-SG 3.36Å; C83-C145 WeakPolarHBondContact SG-CB 3.46Å; C83-C145 CovalentContact SG-SG 2.01Å; C83-C145 PolarHBondContact SG-SG 3.23Å |
| 84 | Q | 90 | Very high | 88.9 | Confident | 184 Ų | 184 | 61.7 Ų | 61.7 | 86% | 0.86 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -60.7 | -32.4 | 172.1 | -170 | -176.3 | 19.8 | 0 | 0 | 112.5 | ||
| 85 | R | 88.7 | Confident | 88.1 | Confident | 163 Ų | 163 | 64.6 Ų | 64.6 | 62% | 0.615 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -120.2 | 130.4 | 179.2 | -51.1 | 178.4 | -174 | 158.3 | 2.2 | 109.6 | C83 S87 Q88 | C83-R85 WeakPolarHBondContact CB-O 3.45Å; C83-R85 PolarHBondContact O-N 3.44Å; R85-S87 PolarHBondContact O-N 3.33Å; R85-S87 VanDerWaalsContact O-N 3.16Å; R85-Q88 HydrophobicContact CB-CG 4.46Å; R85-Q88 WeakPolarHBondContact O-CB 3.32Å; R85-Q88 PolarHBondContact O-N 2.95Å |
| 86 | R | 84.9 | Confident | 87.2 | Confident | 201 Ų | 201 | 66.1 Ų | 66.1 | 76% | 0.758 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -58.4 | -27.5 | 176.6 | -68.1 | -172.9 | 179.2 | -160.4 | -0.7 | 113.6 | Q88 C89 Y100 | R86-Q88 PolarHBondContact O-N 2.88Å; R86-C89 WeakPolarHBondContact O-CB 3.46Å; R86-C89 PolarHBondContact O-N 3.36Å; R86-Y100 HydrophobicContact CB-CE1 4.2Å; R86-Y100 WeakPolarHBondContact O-CE1 3.46Å |
| 87 | S | 87.4 | Confident | 86.8 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 57% | 0.566 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -65.7 | -15.5 | 177.6 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | R85 C89 | R85-S87 PolarHBondContact O-N 3.33Å; R85-S87 VanDerWaalsContact O-N 3.16Å; S87-C89 VanDerWaalsContact C-N 3.29Å |
| 88 | Q | 87.8 | Confident | 86.6 | Confident | 68 Ų | 68 | 75.5 Ų | 75.5 | 32% | 0.318 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -89.4 | 4.5 | 174.8 | -63.5 | 170.5 | 99.8 | 0 | 0 | 112.2 | C83 R85 R86 D144 | C83-Q88 HydrophobicContact CB-CB 3.89Å; R85-Q88 HydrophobicContact CB-CG 4.46Å; R85-Q88 WeakPolarHBondContact O-CB 3.32Å; R85-Q88 PolarHBondContact O-N 2.95Å; R86-Q88 PolarHBondContact O-N 2.88Å; Q88-D144 HydrophobicContact CB-CB 4.28Å; Q88-D144 WeakPolarHBondContact O-CB 3.34Å |
| 89 | C | 91.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.007 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -116 | 47.5 | -177.2 | -80.4 | 0 | 0 | 0 | 0 | 109.1 | C81 C83 R86 S87 Y100 V101 | C81-C89 HydrophobicContact CB-CB 3.69Å; C81-C89 WeakPolarHBondContact CB-SG 3.37Å; C81-C89 WeakPolarHBondContact SG-CB 3.5Å; C81-C89 CovalentContact SG-SG 2.01Å; C81-C89 PolarHBondContact SG-SG 3.22Å; C83-C89 PolarHBondContact SG-SG 3.27Å; R86-C89 WeakPolarHBondContact O-CB 3.46Å; R86-C89 PolarHBondContact O-N 3.36Å; S87-C89 VanDerWaalsContact C-N 3.29Å; C89-Y100 CarbonylContact O-C 3.53Å; C89-Y100 WeakPolarHBondContact O-CA 3.45Å; C89-V101 WeakPolarHBondContact CB-O 3.4Å; C89-V101 PolarHBondContact O-N 3.42Å; C89-V101 PolarHBondContact SG-O 3.3Å |
| 90 | I | 89.5 | Confident | 86.3 | Confident | 59 Ų | 59 | 81 Ų | 81 | 30% | 0.303 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.7 | -176.8 | -59 | 177.3 | 0 | 0 | 0 | 108.5 | Q98 F99 Y100 | I90-Q98 HydrophobicContact CG2-CB 3.75Å; I90-Q98 HydrophobicContact CG2-CG 3.92Å; I90-F99 WeakPolarHBondContact CA-O 3.15Å; I90-Y100 HydrophobicContact CD1-CE1 4.46Å; I90-Y100 HydrophobicContact CG1-CD1 4.29Å; I90-Y100 HydrophobicContact CG1-CE1 4.08Å |
| 91 | A | 86.9 | Confident | 86.3 | Confident | 19 Ų | 19 | 78.4 Ų | 78.4 | 16% | 0.157 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 165.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q98 F99 V101 | A91-Q98 CarbonylContact O-C 3.6Å; A91-Q98 VanDerWaalsContact O-CA 3.31Å; A91-Q98 WeakPolarHBondContact O-CA 3.34Å; A91-F99 HydrophobicContact CB-CD1 4.48Å; A91-F99 HydrophobicContact CB-CE1 3.79Å; A91-F99 HydrophobicContact CB-CZ 3.87Å; A91-F99 PolarHBondContact N-O 3.41Å; A91-F99 WeakPolarHBondContact O-CD1 3.48Å; A91-F99 PolarHBondContact O-N 2.97Å; A91-V101 HydrophobicContact CB-CB 4.49Å; A91-V101 HydrophobicContact CB-CG1 3.69Å; A91-V101 HydrophobicContact CB-CG2 3.95Å |
| 92 | V | 82.3 | Confident | 86.4 | Confident | 72 Ų | 72 | 76.2 Ų | 76.2 | 44% | 0.436 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.1 | 174.7 | 179.1 | 0 | 0 | 0 | 0 | 109 | F99 | V92-F99 VanDerWaalsContact C-CE1 3.42Å |
| 93 | G | 76.2 | Confident | 86.7 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | trans | -85.4 | 176.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | H50 D95 G96 N97 | H50-G93 WeakPolarHBondContact CB-O 3.3Å; H50-G93 PolarHBondContact CD2-O 3.07Å; H50-G93 VanDerWaalsContact CG-O 3.29Å; G93-D95 PolarHBondContact O-N 3.24Å; G93-D95 VanDerWaalsContact O-N 3.09Å; G93-G96 PolarHBondContact O-N 3Å; G93-N97 PolarHBondContact N-O 3.33Å | ||
| 94 | P | 72.6 | Confident | 87 | Confident | 47 Ų | 47 | 72.9 Ų | 72.9 | 31% | 0.305 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -37.6 | 175.2 | -28.3 | 35.9 | 0 | 0 | 0 | 113.6 | Y73 G96 | Y73-P94 HydrophobicContact CD2-CG 4.28Å; P94-G96 VanDerWaalsContact C-N 3.32Å; P94-G96 PolarHBondContact O-N 3.11Å |
| 95 | D | 77.4 | Confident | 87.3 | Confident | 142 Ų | 142 | 64.2 Ų | 64.2 | 76% | 0.759 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 3.1 | -178 | -54.8 | -40.6 | 0 | 0 | 0 | 113.9 | G93 N97 | G93-D95 PolarHBondContact O-N 3.24Å; G93-D95 VanDerWaalsContact O-N 3.09Å; D95-N97 PolarHBondContact O-N 2.93Å |
| 96 | G | 78.7 | Confident | 87.6 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 38% | 0.381 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 79 | -3.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G93 P94 | G93-G96 PolarHBondContact O-N 3Å; P94-G96 VanDerWaalsContact C-N 3.32Å; P94-G96 PolarHBondContact O-N 3.11Å |
| 97 | N | 85.7 | Confident | 88.3 | Confident | 113 Ų | 113 | 47 Ų | 47 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | trans | -78.4 | 146.4 | 176.7 | -67.8 | -39 | 0 | 0 | 0 | 111.7 | G93 D95 | G93-N97 PolarHBondContact N-O 3.33Å; D95-N97 PolarHBondContact O-N 2.93Å | ||
| 98 | Q | 88.2 | Confident | 88.8 | Confident | 149 Ų | 149 | 43.2 Ų | 43.2 | 70% | 0.696 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 141.8 | 173 | -73.1 | -177.3 | -15.3 | 0 | 0 | 111.3 | I90 A91 | I90-Q98 HydrophobicContact CG2-CB 3.75Å; I90-Q98 HydrophobicContact CG2-CG 3.92Å; A91-Q98 CarbonylContact O-C 3.6Å; A91-Q98 VanDerWaalsContact O-CA 3.31Å; A91-Q98 WeakPolarHBondContact O-CA 3.34Å |
| 99 | F | 89.3 | Confident | 89.3 | Confident | 24 Ų | 24 | 40 Ų | 40 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 157 | 179 | 68.3 | -78.8 | 0 | 0 | 0 | 111.7 | F52 Y73 V77 I90 A91 V92 V101 | F52-F99 HydrophobicContact CE2-CZ 4.15Å; F52-F99 AromaticContact CZ-CZ 3.94Å; F52-F99 HydrophobicContact CZ-CZ 3.94Å; Y73-F99 HydrophobicContact CD2-CE1 4.24Å; Y73-F99 AromaticContact CD2-CE2 3.76Å; Y73-F99 HydrophobicContact CD2-CE2 3.76Å; Y73-F99 AromaticContact CD2-CZ 3.6Å; Y73-F99 HydrophobicContact CD2-CZ 3.6Å; Y73-F99 HydrophobicContact CE2-CD1 4.03Å; Y73-F99 AromaticContact CE2-CD2 3.74Å; Y73-F99 HydrophobicContact CE2-CD2 3.74Å; Y73-F99 AromaticContact CE2-CE1 3.8Å; Y73-F99 HydrophobicContact CE2-CE1 3.8Å; Y73-F99 AromaticContact CE2-CE2 3.38Å; Y73-F99 HydrophobicContact CE2-CE2 3.38Å; Y73-F99 HydrophobicContact CE2-CG 4.01Å; Y73-F99 AromaticContact CE2-CZ 3.44Å; Y73-F99 HydrophobicContact CE2-CZ 3.44Å; Y73-F99 VanDerWaalsContact CE2-CZ 3.44Å; V77-F99 HydrophobicContact CG1-CD2 3.3Å; V77-F99 HydrophobicContact CG1-CE2 3.37Å; V77-F99 HydrophobicContact CG1-CG 4.49Å; I90-F99 WeakPolarHBondContact CA-O 3.15Å; A91-F99 HydrophobicContact CB-CD1 4.48Å; A91-F99 HydrophobicContact CB-CE1 3.79Å; A91-F99 HydrophobicContact CB-CZ 3.87Å; A91-F99 PolarHBondContact N-O 3.41Å; A91-F99 WeakPolarHBondContact O-CD1 3.48Å; A91-F99 PolarHBondContact O-N 2.97Å; V92-F99 VanDerWaalsContact C-CE1 3.42Å; F99-V101 HydrophobicContact CD2-CG1 3.57Å; F99-V101 HydrophobicContact CE2-CG1 3.07Å; F99-V101 HydrophobicContact CZ-CG1 3.63Å |
| 100 | Y | 91.5 | Very high | 89.5 | Confident | 152 Ų | 152 | 39.9 Ų | 39.9 | 60% | 0.596 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131.2 | 179.1 | -75.5 | -76.8 | 0 | 0 | 0 | 111.3 | R86 C89 I90 | R86-Y100 HydrophobicContact CB-CE1 4.2Å; R86-Y100 WeakPolarHBondContact O-CE1 3.46Å; C89-Y100 CarbonylContact O-C 3.53Å; C89-Y100 WeakPolarHBondContact O-CA 3.45Å; I90-Y100 HydrophobicContact CD1-CE1 4.46Å; I90-Y100 HydrophobicContact CG1-CD1 4.29Å; I90-Y100 HydrophobicContact CG1-CE1 4.08Å |
| 101 | V | 93 | Very high | 89.8 | Confident | 10 Ų | 10 | 40 Ų | 40 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | trans | -122.7 | 145.4 | 179.9 | -68 | 0 | 0 | 0 | 0 | 112.8 | A76 C89 A91 F99 V104 | A76-V101 HydrophobicContact CB-CB 4.3Å; A76-V101 HydrophobicContact CB-CG1 3.84Å; A76-V101 CarbonylContact O-C 3.51Å; A76-V101 WeakPolarHBondContact O-CA 3.5Å; C89-V101 WeakPolarHBondContact CB-O 3.4Å; C89-V101 PolarHBondContact O-N 3.42Å; C89-V101 PolarHBondContact SG-O 3.3Å; A91-V101 HydrophobicContact CB-CB 4.49Å; A91-V101 HydrophobicContact CB-CG1 3.69Å; A91-V101 HydrophobicContact CB-CG2 3.95Å; F99-V101 HydrophobicContact CD2-CG1 3.57Å; F99-V101 HydrophobicContact CE2-CG1 3.07Å; F99-V101 HydrophobicContact CZ-CG1 3.63Å; V101-V104 HydrophobicContact CB-CG2 4.27Å; V101-V104 HydrophobicContact CG2-CG2 4.02Å | ||
| 102 | G | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -88.8 | -111.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A76 T79 P80 N147 | A76-G102 PolarHBondContact O-N 3.29Å; T79-G102 WeakPolarHBondContact O-CA 3.49Å; P80-G102 WeakPolarHBondContact O-CA 3.35Å; G102-N147 PolarHBondContact O-ND2 2.92Å |
| 103 | F | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -78.2 | 140.2 | 172.3 | -68.6 | -88.7 | 0 | 0 | 0 | 110.6 | A76 T79 Q82 N147 V167 T168 Y171 Y208 | A76-F103 WeakPolarHBondContact CA-O 3.19Å; T79-F103 PolarHBondContact OG1-N 2.9Å; Q82-F103 HydrophobicContact CG-CE1 3.82Å; Q82-F103 HydrophobicContact CG-CE2 3.81Å; Q82-F103 HydrophobicContact CG-CZ 3.32Å; F103-N147 WeakPolarHBondContact CA-O 3.05Å; F103-N147 HydrophobicContact CD1-CB 3.99Å; F103-N147 HydrophobicContact CE1-CB 4.27Å; F103-V167 HydrophobicContact CE1-CG1 4.46Å; F103-T168 HydrophobicContact CD1-CG2 4.23Å; F103-Y171 AromaticContact CE1-CD2 3.87Å; F103-Y171 HydrophobicContact CE1-CD2 3.87Å; F103-Y171 HydrophobicContact CE1-CE2 4.18Å; F103-Y171 HydrophobicContact CE1-CG 4.39Å; F103-Y171 HydrophobicContact CE2-CD2 4.46Å; F103-Y171 HydrophobicContact CE2-CE1 4.48Å; F103-Y171 HydrophobicContact CE2-CE2 4.44Å; F103-Y171 HydrophobicContact CE2-CG 4.49Å; F103-Y171 HydrophobicContact CZ-CD1 4.19Å; F103-Y171 AromaticContact CZ-CD2 3.43Å; F103-Y171 HydrophobicContact CZ-CD2 3.43Å; F103-Y171 VanDerWaalsContact CZ-CD2 3.43Å; F103-Y171 HydrophobicContact CZ-CE1 4.21Å; F103-Y171 AromaticContact CZ-CE2 3.47Å; F103-Y171 HydrophobicContact CZ-CE2 3.47Å; F103-Y171 VanDerWaalsContact CZ-CE2 3.47Å; F103-Y171 AromaticContact CZ-CG 3.81Å; F103-Y171 HydrophobicContact CZ-CG 3.81Å; F103-Y171 AromaticContact CZ-CZ 3.85Å; F103-Y208 HydrophobicContact CB-CD1 4.42Å; F103-Y208 HydrophobicContact CB-CD2 3.47Å; F103-Y208 VanDerWaalsContact CB-CD2 3.47Å; F103-Y208 HydrophobicContact CB-CE1 4.48Å; F103-Y208 HydrophobicContact CB-CE2 3.53Å; F103-Y208 HydrophobicContact CB-CG 3.95Å; F103-Y208 HydrophobicContact CD1-CD1 4.12Å; F103-Y208 HydrophobicContact CD1-CE1 4.11Å; F103-Y208 HydrophobicContact CD1-CG 4.38Å; F103-Y208 HydrophobicContact CD2-CD1 4.02Å; F103-Y208 HydrophobicContact CD2-CD2 4.01Å; F103-Y208 AromaticContact CD2-CG 3.62Å; F103-Y208 HydrophobicContact CD2-CG 3.62Å; F103-Y208 HydrophobicContact CE1-CD1 4.38Å; F103-Y208 HydrophobicContact CE2-CD1 4.27Å; F103-Y208 HydrophobicContact CE2-CG 4.17Å; F103-Y208 AromaticContact CG-CD1 3.92Å; F103-Y208 HydrophobicContact CG-CD1 3.92Å; F103-Y208 AromaticContact CG-CD2 3.8Å; F103-Y208 HydrophobicContact CG-CD2 3.8Å; F103-Y208 HydrophobicContact CG-CE1 4.19Å; F103-Y208 HydrophobicContact CG-CE2 4.08Å; F103-Y208 AromaticContact CG-CG 3.72Å; F103-Y208 HydrophobicContact CG-CG 3.72Å; F103-Y208 HydrophobicContact CZ-CD1 4.45Å |
| 104 | V | 95.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 104.9 | 179.9 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | F52 V101 T106 L142 N147 S148 A149 | F52-V104 HydrophobicContact CD1-CG1 4.11Å; F52-V104 HydrophobicContact CE1-CG1 3.96Å; V101-V104 HydrophobicContact CB-CG2 4.27Å; V101-V104 HydrophobicContact CG2-CG2 4.02Å; V104-T106 HydrophobicContact CG1-CG2 4.34Å; V104-L142 HydrophobicContact CG1-CB 4.04Å; V104-N147 PolarHBondContact N-O 3.16Å; V104-S148 CarbonylContact O-C 3.59Å; V104-S148 WeakPolarHBondContact O-CA 3.49Å; V104-A149 PolarHBondContact O-N 2.94Å |
| 105 | T | 96.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.4 | 172.9 | -55 | 0 | 0 | 0 | 0 | 109.7 | L72 L75 A149 I151 L201 L204 Y208 | L72-T105 HydrophobicContact CD2-CG2 4.07Å; L72-T105 WeakPolarHBondContact CD2-O 3.34Å; L75-T105 WeakPolarHBondContact CD2-OG1 3.23Å; T105-A149 CarbonylContact C-O 3.6Å; T105-A149 WeakPolarHBondContact CA-O 3.03Å; T105-A149 HydrophobicContact CG2-CB 4.39Å; T105-I151 HydrophobicContact CG2-CD1 3.55Å; T105-I151 HydrophobicContact CG2-CG1 3.94Å; T105-L201 HydrophobicContact CG2-CD2 4.24Å; T105-L204 HydrophobicContact CG2-CD1 3.84Å; T105-Y208 WeakPolarHBondContact OG1-CE2 3.3Å |
| 106 | T | 96.4 | Very high | 91 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156.9 | 177.6 | 57.3 | 0 | 0 | 0 | 0 | 110.1 | L36 F52 V104 W140 L142 A149 L150 I151 | L36-T106 HydrophobicContact CD1-CG2 4.25Å; F52-T106 HydrophobicContact CB-CG2 4.4Å; F52-T106 HydrophobicContact CD1-CG2 4.28Å; F52-T106 CarbonylContact O-C 3.55Å; F52-T106 WeakPolarHBondContact O-CA 3.36Å; F52-T106 WeakPolarHBondContact O-CB 3.38Å; V104-T106 HydrophobicContact CG1-CG2 4.34Å; T106-W140 HydrophobicContact CG2-CE3 4.45Å; T106-L142 HydrophobicContact CG2-CB 4.41Å; T106-L142 HydrophobicContact CG2-CD1 3.35Å; T106-L142 HydrophobicContact CG2-CG 4.5Å; T106-A149 PolarHBondContact N-O 2.93Å; T106-A149 PolarHBondContact OG1-O 3.18Å; T106-A149 VanDerWaalsContact OG1-O 3.1Å; T106-L150 CarbonylContact O-C 3.59Å; T106-L150 WeakPolarHBondContact O-CA 3.48Å; T106-I151 PolarHBondContact O-N 3.26Å |
| 107 | V | 98.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 130.1 | -178.8 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | F52 L53 C54 L72 L109 I151 L197 | F52-V107 PolarHBondContact O-N 2.99Å; L53-V107 HydrophobicContact CD1-CB 3.49Å; L53-V107 VanDerWaalsContact CD1-CB 3.49Å; L53-V107 HydrophobicContact CD1-CG1 3.4Å; L53-V107 VanDerWaalsContact CD1-CG1 3.4Å; L53-V107 HydrophobicContact CD1-CG2 4.41Å; C54-V107 PolarHBondContact N-O 3.41Å; L72-V107 HydrophobicContact CD1-CB 4.41Å; L72-V107 HydrophobicContact CD1-CG2 3.83Å; L72-V107 HydrophobicContact CD2-CG2 3.94Å; L72-V107 HydrophobicContact CG-CG2 4.45Å; V107-L109 HydrophobicContact CG1-CD1 4.2Å; V107-L109 HydrophobicContact CG1-CG 4.11Å; V107-I151 CarbonylContact C-O 3.58Å; V107-I151 WeakPolarHBondContact CA-O 3.16Å; V107-I151 HydrophobicContact CG2-CB 4.19Å; V107-I151 HydrophobicContact CG2-CD1 4.18Å; V107-L197 HydrophobicContact CG1-CD1 4.26Å; V107-L197 HydrophobicContact CG1-CD2 3.85Å; V107-L197 HydrophobicContact CG2-CD2 3.93Å |
| 108 | A | 98 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y33 W140 L150 I151 L152 I153 | Y33-A108 HydrophobicContact CE1-CB 3.86Å; A108-W140 HydrophobicContact CB-CH2 3.96Å; A108-L150 HydrophobicContact CB-CD1 4.46Å; A108-L150 HydrophobicContact CB-CD2 4.2Å; A108-I151 PolarHBondContact N-O 2.72Å; A108-L152 HydrophobicContact CB-CD1 4.21Å; A108-L152 WeakPolarHBondContact O-CA 3.44Å; A108-I153 PolarHBondContact O-N 2.77Å |
| 109 | L | 98.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.4 | 176.7 | -77.7 | 149.6 | 0 | 0 | 0 | 109.3 | Y33 L53 C54 D55 L59 L60 V107 I153 | Y33-L109 PolarHBondContact OH-N 2.88Å; Y33-L109 VanDerWaalsContact OH-N 3.16Å; Y33-L109 PolarHBondContact OH-O 3.09Å; L53-L109 HydrophobicContact CD1-CD1 3.53Å; C54-L109 PolarHBondContact O-N 3.2Å; D55-L109 HydrophobicContact CB-CB 4.04Å; D55-L109 HydrophobicContact CB-CD1 3.78Å; D55-L109 WeakPolarHBondContact OD1-CB 3.19Å; L59-L109 HydrophobicContact CB-CB 4.37Å; L59-L109 HydrophobicContact CB-CD2 4.09Å; L59-L109 HydrophobicContact CD1-CB 4.05Å; L59-L109 HydrophobicContact CD1-CD2 3.99Å; L59-L109 HydrophobicContact CG-CB 4.37Å; L60-L109 HydrophobicContact CD1-CD1 3.52Å; L60-L109 HydrophobicContact CG-CD1 3.77Å; V107-L109 HydrophobicContact CG1-CD1 4.2Å; V107-L109 HydrophobicContact CG1-CG 4.11Å; L109-I153 HydrophobicContact CD2-CB 3.75Å; L109-I153 HydrophobicContact CD2-CD1 3.98Å; L109-I153 HydrophobicContact CD2-CG1 4.4Å; L109-I153 HydrophobicContact CD2-CG2 3.89Å |
| 110 | V | 96.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 131.5 | -176.5 | 70.5 | 0 | 0 | 0 | 0 | 111.2 | W28 Y33 L113 L152 I153 W154 E155 | W28-V110 HydrophobicContact CB-CG2 3.89Å; W28-V110 HydrophobicContact CG-CG2 3.77Å; Y33-V110 HydrophobicContact CE2-CB 4.08Å; Y33-V110 HydrophobicContact CE2-CG2 4.1Å; V110-L113 HydrophobicContact CB-CD2 4.36Å; V110-L113 HydrophobicContact CG1-CD2 3.78Å; V110-L113 HydrophobicContact CG1-CG 4.08Å; V110-L113 HydrophobicContact CG2-CD2 3.8Å; V110-L152 HydrophobicContact CG1-CD1 3.82Å; V110-I153 PolarHBondContact N-O 2.77Å; V110-W154 HydrophobicContact CG1-CB 4.01Å; V110-W154 HydrophobicContact CG1-CG 4.17Å; V110-W154 WeakPolarHBondContact O-CA 3.44Å; V110-E155 PolarHBondContact O-N 2.86Å |
| 111 | R | 95.5 | Very high | 84.4 | Confident | 60 Ų | 60 | 43.3 Ų | 43.3 | 23% | 0.226 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -69.2 | -52.9 | 176.2 | -178.4 | 161.9 | -69.7 | 111.2 | -5.7 | 110.4 | D57 L59 E155 S156 | D57-R111 HydrophobicContact CB-CB 3.94Å; D57-R111 PolarHBondContact O-NH1 2.97Å; D57-R111 PolarHBondContact O-NH2 2.89Å; D57-R111 VanDerWaalsContact O-NH2 3.14Å; D57-R111 WeakPolarHBondContact OD2-CB 3.46Å; D57-R111 PolarHBondContact OD2-N 3.32Å; L59-R111 HydrophobicContact CD2-CB 4.32Å; R111-E155 WeakPolarHBondContact CG-OE2 3.38Å; R111-E155 IonicContact CZ-OE2 3.46Å; R111-E155 IonicContact NE-OE2 3.9Å; R111-E155 PolarHBondContact NE-OE2 3.38Å; R111-E155 IonicContact NH2-OE2 3.73Å; R111-S156 WeakPolarHBondContact O-CB 3.29Å; R111-S156 PolarHBondContact O-N 2.82Å; R111-S156 PolarHBondContact O-OG 3.36Å |
| 112 | K | 93.5 | Very high | 83.1 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 34% | 0.335 | 27% | 0.272 | S | S | . | . | trans | -145 | 132.2 | -174.1 | -172.2 | 166.1 | 168.5 | -118.9 | 0 | 112 | D27 W28 | D27-K112 VanDerWaalsContact CG-NZ 3.26Å; D27-K112 VanDerWaalsContact OD1-CD 3.25Å; D27-K112 WeakPolarHBondContact OD1-CD 3.26Å; D27-K112 WeakPolarHBondContact OD1-CE 3.35Å; D27-K112 WeakPolarHBondContact OD1-CG 3.45Å; D27-K112 IonicContact OD1-NZ 2.83Å; D27-K112 PolarHBondContact OD1-NZ 3.22Å; D27-K112 IonicContact OD2-NZ 2.84Å; D27-K112 PolarHBondContact OD2-NZ 3.42Å; W28-K112 PolarHBondContact N-O 3.45Å; W28-K112 VanDerWaalsContact N-O 3.09Å | ||
| 113 | L | 92.6 | Very high | 82 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -92.5 | 145.6 | 170.3 | -62.5 | -177.9 | 0 | 0 | 0 | 110.6 | W28 V110 T115 V128 F132 W154 | W28-L113 HydrophobicContact CB-CD2 4.23Å; W28-L113 CarbonylContact O-C 3.56Å; W28-L113 WeakPolarHBondContact O-CA 3.44Å; V110-L113 HydrophobicContact CB-CD2 4.36Å; V110-L113 HydrophobicContact CG1-CD2 3.78Å; V110-L113 HydrophobicContact CG1-CG 4.08Å; V110-L113 HydrophobicContact CG2-CD2 3.8Å; L113-T115 PolarHBondContact O-N 3.45Å; L113-V128 HydrophobicContact CD1-CG1 4.18Å; L113-F132 HydrophobicContact CD1-CB 4.06Å; L113-F132 HydrophobicContact CD1-CD1 4.42Å; L113-F132 HydrophobicContact CD1-CD2 4.12Å; L113-F132 HydrophobicContact CD1-CG 3.95Å; L113-F132 HydrophobicContact CD2-CD1 4.27Å; L113-F132 HydrophobicContact CD2-CD2 3.49Å; L113-F132 VanDerWaalsContact CD2-CD2 3.49Å; L113-F132 HydrophobicContact CD2-CE1 4.15Å; L113-F132 HydrophobicContact CD2-CE2 3.32Å; L113-F132 HydrophobicContact CD2-CG 3.97Å; L113-F132 HydrophobicContact CD2-CZ 3.68Å; L113-F132 HydrophobicContact CG-CD2 4.44Å; L113-W154 HydrophobicContact CB-CD2 4.41Å; L113-W154 HydrophobicContact CB-CH2 4.16Å; L113-W154 HydrophobicContact CB-CZ2 3.69Å; L113-W154 HydrophobicContact CD1-CD2 3.73Å; L113-W154 HydrophobicContact CD1-CE3 3.7Å; L113-W154 HydrophobicContact CD1-CG 4.28Å; L113-W154 HydrophobicContact CD1-CH2 4.22Å; L113-W154 HydrophobicContact CD1-CZ2 4.27Å; L113-W154 HydrophobicContact CD1-CZ3 3.95Å; L113-W154 HydrophobicContact CG-CD2 3.89Å; L113-W154 HydrophobicContact CG-CE3 4.35Å; L113-W154 HydrophobicContact CG-CG 4.21Å; L113-W154 HydrophobicContact CG-CZ2 4.12Å |
| 114 | K | 88 | Confident | 81.6 | Confident | 140 Ų | 140 | 60.1 Ų | 60.1 | 61% | 0.609 | 33% | 0.326 | S | S | * | . | trans | -74.2 | 108.8 | 172.9 | -169.7 | 172.3 | -177.4 | 171.4 | 0 | 110.1 | D27 W28 T29 | D27-K114 HydrophobicContact CB-CB 3.87Å; D27-K114 HydrophobicContact CB-CG 4.27Å; W28-K114 PolarHBondContact O-N 2.9Å; T29-K114 HydrophobicContact CG2-CB 3.81Å; T29-K114 HydrophobicContact CG2-CD 3.93Å; T29-K114 HydrophobicContact CG2-CG 4.38Å | ||
| 115 | T | 79.8 | Confident | 81.4 | Confident | 40 Ų | 40 | 60 Ų | 60 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | trans | -106 | 149.4 | 174.9 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | L113 S117 P120 V128 W154 | L113-T115 PolarHBondContact O-N 3.45Å; T115-S117 PolarHBondContact O-N 3.29Å; T115-S117 PolarHBondContact OG1-O 2.9Å; T115-P120 HydrophobicContact CG2-CG 4.01Å; T115-V128 HydrophobicContact CG2-CG1 4.28Å; T115-W154 HydrophobicContact CG2-CH2 4.06Å; T115-W154 HydrophobicContact CG2-CZ2 4.4Å | ||
| 116 | S | 67.5 | Low | 81.2 | Confident | 129 Ų | 129 | 63.2 Ų | 63.2 | 90% | 0.902 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -76.9 | -1.8 | -170.8 | 70.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 117 | S | 55.2 | Low | 80.9 | Confident | 78 Ų | 78 | 66.2 Ų | 66.2 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -163.7 | 171.1 | -176.1 | 46.1 | 0 | 0 | 0 | 0 | 108.8 | T115 | T115-S117 PolarHBondContact O-N 3.29Å; T115-S117 PolarHBondContact OG1-O 2.9Å |
| 118 | M | 56 | Low | 80.7 | Confident | 185 Ų | 185 | 68.5 Ų | 68.5 | 91% | 0.911 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -29.4 | 141.4 | 172.8 | -92.3 | 177.5 | 159.5 | 0 | 0 | 112.5 | ||
| 119 | D | 58.4 | Low | 80.6 | Confident | 113 Ų | 113 | 68.5 Ų | 68.5 | 60% | 0.604 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -32.7 | 118.9 | -173.2 | -72 | -50.6 | 0 | 0 | 0 | 111.4 | A121 | D119-A121 PolarHBondContact O-N 2.87Š|
| 120 | P | 62.3 | Low | 80.4 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | trans | -57.6 | 136.4 | -171.8 | 23.4 | -33.5 | 0 | 0 | 0 | 109.6 | T115 Q124 A125 W154 | T115-P120 HydrophobicContact CG2-CG 4.01Å; P120-Q124 HydrophobicContact CB-CB 3.66Å; P120-A125 HydrophobicContact CB-CB 4.23Å; P120-A125 HydrophobicContact CG-CB 3.84Å; P120-W154 HydrophobicContact CG-CH2 4.13Å | ||
| 121 | A | 61.6 | Low | 80.4 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 46% | 0.463 | 42% | 0.419 | S | S | . | . | trans | -52.6 | 150 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D119 N123 Q124 A125 | D119-A121 PolarHBondContact O-N 2.87Å; A121-N123 PolarHBondContact O-N 3.13Å; A121-Q124 WeakPolarHBondContact O-CA 3.29Å; A121-Q124 WeakPolarHBondContact O-CB 3.47Å; A121-Q124 PolarHBondContact O-N 3.31Å; A121-A125 PolarHBondContact O-N 3.18Å | ||
| 122 | D | 67.2 | Low | 80.5 | Confident | 138 Ų | 138 | 76.2 Ų | 76.2 | 74% | 0.738 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -46.7 | -40.1 | -169.7 | -61.7 | -9.9 | 0 | 0 | 0 | 114.4 | A125 L126 | D122-A125 PolarHBondContact O-N 3.12Å; D122-L126 PolarHBondContact O-N 3.36Å; D122-L126 VanDerWaalsContact O-N 3.16Å |
| 123 | N | 70.3 | Confident | 80.7 | Confident | 117 Ų | 117 | 72.5 Ų | 72.5 | 63% | 0.626 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.4 | -35.2 | 178.1 | 64.3 | -11.7 | 0 | 0 | 0 | 113.7 | A121 T127 | A121-N123 PolarHBondContact O-N 3.13Å; N123-T127 PolarHBondContact O-OG1 3.24Å |
| 124 | Q | 86.7 | Confident | 80.8 | Confident | 107 Ų | 107 | 76.1 Ų | 76.1 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -74.3 | -36.8 | 174 | -65.9 | -179 | 22.6 | 0 | 0 | 110.6 | P120 A121 L126 T127 V128 | P120-Q124 HydrophobicContact CB-CB 3.66Å; A121-Q124 WeakPolarHBondContact O-CA 3.29Å; A121-Q124 WeakPolarHBondContact O-CB 3.47Å; A121-Q124 PolarHBondContact O-N 3.31Å; Q124-L126 PolarHBondContact O-N 2.87Å; Q124-T127 PolarHBondContact O-N 3.06Å; Q124-V128 WeakPolarHBondContact O-CG2 3.39Å; Q124-V128 PolarHBondContact O-N 3.45Å |
| 125 | A | 90.8 | Very high | 81.2 | Confident | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.008 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P120 A121 D122 T127 V128 A129 W154 Q157 I159 | P120-A125 HydrophobicContact CB-CB 4.23Å; P120-A125 HydrophobicContact CG-CB 3.84Å; A121-A125 PolarHBondContact O-N 3.18Å; D122-A125 PolarHBondContact O-N 3.12Å; A125-T127 VanDerWaalsContact C-N 3.34Å; A125-T127 PolarHBondContact O-N 2.95Å; A125-V128 PolarHBondContact O-N 3.15Å; A125-A129 WeakPolarHBondContact O-CB 3.35Å; A125-A129 PolarHBondContact O-N 3.02Å; A125-W154 HydrophobicContact CB-CZ3 4.28Å; A125-Q157 HydrophobicContact CB-CG 4.43Å; A125-I159 HydrophobicContact CB-CD1 3.58Å |
| 126 | L | 91.6 | Very high | 82 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 176.2 | -173.7 | 63.4 | 0 | 0 | 0 | 112.3 | D122 Q124 V128 A129 E130 I159 | D122-L126 PolarHBondContact O-N 3.36Å; D122-L126 VanDerWaalsContact O-N 3.16Å; Q124-L126 PolarHBondContact O-N 2.87Å; L126-V128 VanDerWaalsContact C-N 3.32Å; L126-V128 PolarHBondContact O-N 3.12Å; L126-A129 PolarHBondContact O-N 3.36Å; L126-E130 WeakPolarHBondContact O-CB 3.45Å; L126-E130 PolarHBondContact O-N 3.5Å; L126-I159 HydrophobicContact CD1-CG2 4.47Å |
| 127 | T | 92.2 | Very high | 83.4 | Confident | 67 Ų | 67 | 64.3 Ų | 64.3 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 177.3 | -58 | 0 | 0 | 0 | 0 | 111.7 | N123 Q124 A125 K131 | N123-T127 PolarHBondContact O-OG1 3.24Å; Q124-T127 PolarHBondContact O-N 3.06Å; A125-T127 VanDerWaalsContact C-N 3.34Å; A125-T127 PolarHBondContact O-N 2.95Å; T127-K131 HydrophobicContact CG2-CD 4.39Å; T127-K131 WeakPolarHBondContact O-CG 3.39Å; T127-K131 PolarHBondContact O-N 3.33Å; T127-K131 VanDerWaalsContact O-N 3.12Å |
| 128 | V | 93.4 | Very high | 85.2 | Confident | 48 Ų | 48 | 65.4 Ų | 65.4 | 29% | 0.291 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 175.2 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | L113 T115 Q124 A125 L126 E130 K131 F132 W154 | L113-V128 HydrophobicContact CD1-CG1 4.18Å; T115-V128 HydrophobicContact CG2-CG1 4.28Å; Q124-V128 WeakPolarHBondContact O-CG2 3.39Å; Q124-V128 PolarHBondContact O-N 3.45Å; A125-V128 PolarHBondContact O-N 3.15Å; L126-V128 VanDerWaalsContact C-N 3.32Å; L126-V128 PolarHBondContact O-N 3.12Å; V128-E130 VanDerWaalsContact C-N 3.34Å; V128-E130 PolarHBondContact O-N 2.89Å; V128-K131 PolarHBondContact O-N 3.14Å; V128-F132 VanDerWaalsContact O-CB 3.32Å; V128-F132 WeakPolarHBondContact O-CB 3.33Å; V128-F132 PolarHBondContact O-N 3.42Å; V128-W154 HydrophobicContact CB-CZ3 4.37Å; V128-W154 HydrophobicContact CG1-CH2 4.24Å; V128-W154 HydrophobicContact CG1-CZ3 4.19Å |
| 129 | A | 95.2 | Very high | 87 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A125 L126 F132 A133 L152 W154 I159 H161 | A125-A129 WeakPolarHBondContact O-CB 3.35Å; A125-A129 PolarHBondContact O-N 3.02Å; L126-A129 PolarHBondContact O-N 3.36Å; A129-F132 PolarHBondContact O-N 3.24Å; A129-A133 VanDerWaalsContact O-CB 3.26Å; A129-A133 WeakPolarHBondContact O-CB 3.2Å; A129-A133 PolarHBondContact O-N 2.05Å; A129-L152 HydrophobicContact CB-CD2 3.91Å; A129-L152 WeakPolarHBondContact O-CD2 3.48Å; A129-W154 HydrophobicContact CB-CE3 4.14Å; A129-W154 HydrophobicContact CB-CZ3 4.49Å; A129-I159 HydrophobicContact CB-CG2 3.81Å; A129-H161 HydrophobicContact CB-CB 4.41Å |
| 130 | E | 95 | Very high | 88.6 | Confident | 65 Ų | 65 | 55.1 Ų | 55.1 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 176.4 | -178.4 | -176.6 | 172.3 | 0 | 0 | 111.7 | L126 V128 F132 A133 R134 | L126-E130 WeakPolarHBondContact O-CB 3.45Å; L126-E130 PolarHBondContact O-N 3.5Å; V128-E130 VanDerWaalsContact C-N 3.34Å; V128-E130 PolarHBondContact O-N 2.89Å; E130-F132 VanDerWaalsContact C-N 3.31Å; E130-F132 PolarHBondContact O-N 3.24Å; E130-A133 PolarHBondContact O-N 2.92Å; E130-R134 HydrophobicContact CG-CG 4.41Å; E130-R134 WeakPolarHBondContact O-CB 3.35Å; E130-R134 WeakPolarHBondContact O-CG 3.3Å; E130-R134 PolarHBondContact O-N 2.91Å; E130-R134 IonicContact OE1-CZ 2.76Å; E130-R134 IonicContact OE1-NE 3.29Å; E130-R134 PolarHBondContact OE1-NE 3.24Å; E130-R134 IonicContact OE1-NH2 2.82Å; E130-R134 PolarHBondContact OE1-NH2 2.93Å |
| 131 | K | 95.5 | Very high | 89.9 | Confident | 146 Ų | 146 | 57 Ų | 57 | 64% | 0.635 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 179.2 | -74.4 | 176.2 | -178.3 | 177.4 | 0 | 111.7 | T127 V128 A135 | T127-K131 HydrophobicContact CG2-CD 4.39Å; T127-K131 WeakPolarHBondContact O-CG 3.39Å; T127-K131 PolarHBondContact O-N 3.33Å; T127-K131 VanDerWaalsContact O-N 3.12Å; V128-K131 PolarHBondContact O-N 3.14Å; K131-A135 WeakPolarHBondContact O-CB 3.26Å; K131-A135 PolarHBondContact O-N 3.47Å |
| 132 | F | 96.8 | Very high | 91 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -53.6 | 176.2 | 179.2 | -85.3 | 0 | 0 | 0 | 110.8 | A30 Y33 L113 V128 A129 E130 R134 A135 V136 L152 | A30-F132 HydrophobicContact CB-CD2 3.87Å; A30-F132 HydrophobicContact CB-CE2 4.24Å; A30-F132 HydrophobicContact CB-CG 4.46Å; Y33-F132 HydrophobicContact CD1-CZ 4.32Å; Y33-F132 AromaticContact CD2-CZ 3.76Å; Y33-F132 HydrophobicContact CD2-CZ 3.76Å; Y33-F132 HydrophobicContact CE2-CZ 4.33Å; Y33-F132 AromaticContact CG-CZ 3.73Å; Y33-F132 HydrophobicContact CG-CZ 3.73Å; L113-F132 HydrophobicContact CD1-CB 4.06Å; L113-F132 HydrophobicContact CD1-CD1 4.42Å; L113-F132 HydrophobicContact CD1-CD2 4.12Å; L113-F132 HydrophobicContact CD1-CG 3.95Å; L113-F132 HydrophobicContact CD2-CD1 4.27Å; L113-F132 HydrophobicContact CD2-CD2 3.49Å; L113-F132 VanDerWaalsContact CD2-CD2 3.49Å; L113-F132 HydrophobicContact CD2-CE1 4.15Å; L113-F132 HydrophobicContact CD2-CE2 3.32Å; L113-F132 HydrophobicContact CD2-CG 3.97Å; L113-F132 HydrophobicContact CD2-CZ 3.68Å; L113-F132 HydrophobicContact CG-CD2 4.44Å; V128-F132 VanDerWaalsContact O-CB 3.32Å; V128-F132 WeakPolarHBondContact O-CB 3.33Å; V128-F132 PolarHBondContact O-N 3.42Å; A129-F132 PolarHBondContact O-N 3.24Å; E130-F132 VanDerWaalsContact C-N 3.31Å; E130-F132 PolarHBondContact O-N 3.24Å; F132-R134 PolarHBondContact O-N 2.84Å; F132-A135 PolarHBondContact O-N 2.91Å; F132-V136 HydrophobicContact CD1-CG2 4.06Å; F132-V136 HydrophobicContact CE1-CG2 3.69Å; F132-V136 HydrophobicContact CE2-CG2 4.18Å; F132-V136 HydrophobicContact CG-CG2 4.46Å; F132-V136 HydrophobicContact CZ-CG2 3.76Å; F132-V136 WeakPolarHBondContact O-CG2 3.34Å; F132-V136 PolarHBondContact O-N 2.82Å; F132-L152 HydrophobicContact CD1-CD1 3.8Å; F132-L152 HydrophobicContact CD1-CD2 3.89Å; F132-L152 HydrophobicContact CD1-CG 4.49Å; F132-L152 HydrophobicContact CE1-CD1 3.7Å |
| 133 | A | 97.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -45 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A129 E130 R137 L150 L152 A163 | A129-A133 VanDerWaalsContact O-CB 3.26Å; A129-A133 WeakPolarHBondContact O-CB 3.2Å; A129-A133 PolarHBondContact O-N 2.05Å; E130-A133 PolarHBondContact O-N 2.92Å; A133-R137 VanDerWaalsContact O-CB 3.28Å; A133-R137 WeakPolarHBondContact O-CB 3.08Å; A133-R137 PolarHBondContact O-N 2.8Å; A133-L150 HydrophobicContact CB-CD2 3.78Å; A133-L152 HydrophobicContact CB-CB 4.11Å; A133-L152 HydrophobicContact CB-CD2 4.12Å; A133-A163 HydrophobicContact CB-CB 3.75Å |
| 134 | R | 96.2 | Very high | 92.4 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.1 | -71.2 | -177 | -172 | -81.4 | -1.5 | 111.7 | E130 F132 R137 N138 A163 | E130-R134 HydrophobicContact CG-CG 4.41Å; E130-R134 WeakPolarHBondContact O-CB 3.35Å; E130-R134 WeakPolarHBondContact O-CG 3.3Å; E130-R134 PolarHBondContact O-N 2.91Å; E130-R134 IonicContact OE1-CZ 2.76Å; E130-R134 IonicContact OE1-NE 3.29Å; E130-R134 PolarHBondContact OE1-NE 3.24Å; E130-R134 IonicContact OE1-NH2 2.82Å; E130-R134 PolarHBondContact OE1-NH2 2.93Å; F132-R134 PolarHBondContact O-N 2.84Å; R134-R137 PolarHBondContact O-N 3Å; R134-N138 VanDerWaalsContact O-CB 3.32Å; R134-N138 WeakPolarHBondContact O-CB 3.41Å; R134-N138 PolarHBondContact O-N 3.28Å; R134-N138 PolarHBondContact O-ND2 3.49Å; R134-N138 PolarHBondContact O-OD1 3.04Å; R134-A163 HydrophobicContact CG-CB 4.23Å |
| 135 | A | 96.4 | Very high | 92.6 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.8 | -43.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A30 K131 F132 R139 | A30-A135 HydrophobicContact CB-CB 3.61Å; K131-A135 WeakPolarHBondContact O-CB 3.26Å; K131-A135 PolarHBondContact O-N 3.47Å; F132-A135 PolarHBondContact O-N 2.91Å; A135-R139 WeakPolarHBondContact O-CB 3.44Å; A135-R139 PolarHBondContact O-N 2.87Å |
| 136 | V | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | A30 Y33 F132 N138 R139 W140 L150 | A30-V136 HydrophobicContact CB-CG2 4.02Å; Y33-V136 HydrophobicContact CD1-CG1 4.21Å; Y33-V136 HydrophobicContact CD1-CG2 4.42Å; F132-V136 HydrophobicContact CD1-CG2 4.06Å; F132-V136 HydrophobicContact CE1-CG2 3.69Å; F132-V136 HydrophobicContact CE2-CG2 4.18Å; F132-V136 HydrophobicContact CG-CG2 4.46Å; F132-V136 HydrophobicContact CZ-CG2 3.76Å; F132-V136 WeakPolarHBondContact O-CG2 3.34Å; F132-V136 PolarHBondContact O-N 2.82Å; V136-N138 PolarHBondContact O-N 2.82Å; V136-R139 PolarHBondContact O-N 3.46Å; V136-W140 HydrophobicContact CG1-CD2 3.65Å; V136-W140 HydrophobicContact CG1-CE3 4.05Å; V136-W140 HydrophobicContact CG1-CG 4.23Å; V136-W140 HydrophobicContact CG1-CH2 3.95Å; V136-W140 HydrophobicContact CG1-CZ2 3.53Å; V136-W140 HydrophobicContact CG1-CZ3 4.18Å; V136-W140 PolarHBondContact O-N 2.81Å; V136-L150 HydrophobicContact CB-CD1 3.99Å; V136-L150 HydrophobicContact CG1-CD1 3.6Å |
| 137 | R | 95.5 | Very high | 92.7 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.8 | -49.1 | 177.1 | -173.7 | -167 | 73.9 | -154.8 | 14.1 | 111.7 | A133 R134 R139 W140 A141 L150 A163 T164 D165 | A133-R137 VanDerWaalsContact O-CB 3.28Å; A133-R137 WeakPolarHBondContact O-CB 3.08Å; A133-R137 PolarHBondContact O-N 2.8Å; R134-R137 PolarHBondContact O-N 3Å; R137-R139 VanDerWaalsContact C-N 3.25Å; R137-R139 PolarHBondContact O-N 2.87Å; R137-W140 PolarHBondContact O-N 3.48Å; R137-A141 PolarHBondContact O-N 2.76Å; R137-L150 HydrophobicContact CB-CB 3.86Å; R137-L150 HydrophobicContact CB-CD1 4.06Å; R137-L150 HydrophobicContact CG-CB 4.09Å; R137-A163 WeakPolarHBondContact CD-O 3.43Å; R137-A163 PolarHBondContact NH1-O 3.2Å; R137-T164 VanDerWaalsContact CZ-O 3.31Å; R137-T164 PolarHBondContact NH1-O 2.82Å; R137-T164 PolarHBondContact NH2-O 2.97Å; R137-D165 IonicContact CZ-OD1 2.89Å; R137-D165 IonicContact NE-OD1 3.59Å; R137-D165 PolarHBondContact NE-OD1 3.37Å; R137-D165 IonicContact NE-OD2 2.88Å; R137-D165 IonicContact NH2-OD1 3.56Å; R137-D165 PolarHBondContact NH2-OD1 2.81Å |
| 138 | N | 94 | Very high | 92.8 | Very high | 101 Ų | 101 | 42.2 Ų | 42.2 | 54% | 0.54 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.5 | -33.6 | -179.2 | -70.1 | -7.1 | 0 | 0 | 0 | 112.2 | R134 V136 | R134-N138 VanDerWaalsContact O-CB 3.32Å; R134-N138 WeakPolarHBondContact O-CB 3.41Å; R134-N138 PolarHBondContact O-N 3.28Å; R134-N138 PolarHBondContact O-ND2 3.49Å; R134-N138 PolarHBondContact O-OD1 3.04Å; V136-N138 PolarHBondContact O-N 2.82Å |
| 139 | R | 93.4 | Very high | 93 | Very high | 81 Ų | 81 | 40 Ų | 40 | 31% | 0.306 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -72.5 | -44.8 | 176.2 | -176.9 | 178.8 | 56.2 | 153.5 | 6.2 | 111.6 | A30 K31 Y33 P34 D35 A135 V136 R137 A141 | A30-R139 PolarHBondContact O-NH1 3.28Å; A30-R139 PolarHBondContact O-NH2 3.17Å; K31-R139 PolarHBondContact O-NH1 3.01Å; Y33-R139 VanDerWaalsContact O-CZ 3.23Å; Y33-R139 PolarHBondContact O-NH1 2.92Å; Y33-R139 PolarHBondContact O-NH2 3.13Å; P34-R139 PolarHBondContact O-NH2 3.01Å; D35-R139 IonicContact OD2-NE 3.03Å; A135-R139 WeakPolarHBondContact O-CB 3.44Å; A135-R139 PolarHBondContact O-N 2.87Å; V136-R139 PolarHBondContact O-N 3.46Å; R137-R139 VanDerWaalsContact C-N 3.25Å; R137-R139 PolarHBondContact O-N 2.87Å; R139-A141 VanDerWaalsContact C-N 3.33Å; R139-A141 PolarHBondContact O-N 2.76Å |
| 140 | W | 92.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -36.4 | 178.1 | -68.6 | -8.1 | 0 | 0 | 0 | 112.1 | Y33 P34 L36 R37 C54 T106 A108 V136 R137 L142 L150 | Y33-W140 AromaticContact CD1-CZ2 3.94Å; Y33-W140 HydrophobicContact CD1-CZ2 3.94Å; Y33-W140 HydrophobicContact CE1-CH2 4.09Å; Y33-W140 AromaticContact CE1-CZ2 3.73Å; Y33-W140 HydrophobicContact CE1-CZ2 3.73Å; P34-W140 PolarHBondContact O-NE1 3.08Å; L36-W140 HydrophobicContact CB-CD2 4.45Å; L36-W140 HydrophobicContact CD1-CD2 3.99Å; L36-W140 HydrophobicContact CD1-CE3 3.57Å; L36-W140 HydrophobicContact CD1-CH2 3.75Å; L36-W140 HydrophobicContact CD1-CZ2 4.14Å; L36-W140 HydrophobicContact CD1-CZ3 3.45Å; L36-W140 VanDerWaalsContact CD1-CZ3 3.45Å; L36-W140 HydrophobicContact CG-CD2 4.17Å; L36-W140 HydrophobicContact CG-CE3 4.22Å; L36-W140 HydrophobicContact CG-CH2 3.96Å; L36-W140 HydrophobicContact CG-CZ2 3.89Å; L36-W140 HydrophobicContact CG-CZ3 4.13Å; R37-W140 WeakPolarHBondContact CD-O 3.37Å; C54-W140 HydrophobicContact CB-CH2 3.61Å; C54-W140 HydrophobicContact CB-CZ2 3.81Å; T106-W140 HydrophobicContact CG2-CE3 4.45Å; A108-W140 HydrophobicContact CB-CH2 3.96Å; V136-W140 HydrophobicContact CG1-CD2 3.65Å; V136-W140 HydrophobicContact CG1-CE3 4.05Å; V136-W140 HydrophobicContact CG1-CG 4.23Å; V136-W140 HydrophobicContact CG1-CH2 3.95Å; V136-W140 HydrophobicContact CG1-CZ2 3.53Å; V136-W140 HydrophobicContact CG1-CZ3 4.18Å; V136-W140 PolarHBondContact O-N 2.81Å; R137-W140 PolarHBondContact O-N 3.48Å; W140-L142 VanDerWaalsContact C-N 3.3Å; W140-L142 HydrophobicContact CB-CD1 4.13Å; W140-L142 HydrophobicContact CB-CG 4.14Å; W140-L142 HydrophobicContact CE3-CD1 4.38Å; W140-L142 PolarHBondContact O-N 3.08Å; W140-L150 HydrophobicContact CD2-CD1 4.48Å; W140-L150 HydrophobicContact CE3-CD1 3.69Å; W140-L150 HydrophobicContact CH2-CD1 4.29Å; W140-L150 HydrophobicContact CZ3-CD1 3.57Å; W140-L150 HydrophobicContact CZ3-CG 4.39Å |
| 141 | A | 88.9 | Confident | 93.3 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 39% | 0.388 | 19% | 0.194 | S | C | . | . | trans | 45.1 | 52.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R37 R137 R139 | R37-A141 PolarHBondContact NH1-O 3.5Å; R137-A141 PolarHBondContact O-N 2.76Å; R139-A141 VanDerWaalsContact C-N 3.33Å; R139-A141 PolarHBondContact O-N 2.76Å | ||
| 142 | L | 84.4 | Confident | 93.5 | Very high | 44 Ų | 44 | 29.9 Ų | 29.9 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | trans | -87.5 | -4.2 | -173.7 | -73.2 | 169.9 | 0 | 0 | 0 | 113.9 | L36 R37 V104 T106 W140 | L36-L142 HydrophobicContact CB-CD1 4.29Å; L36-L142 HydrophobicContact CD1-CD1 3.75Å; R37-L142 HydrophobicContact CG-CD2 3.84Å; V104-L142 HydrophobicContact CG1-CB 4.04Å; T106-L142 HydrophobicContact CG2-CB 4.41Å; T106-L142 HydrophobicContact CG2-CD1 3.35Å; T106-L142 HydrophobicContact CG2-CG 4.5Å; W140-L142 VanDerWaalsContact C-N 3.3Å; W140-L142 HydrophobicContact CB-CD1 4.13Å; W140-L142 HydrophobicContact CB-CG 4.14Å; W140-L142 HydrophobicContact CE3-CD1 4.38Å; W140-L142 PolarHBondContact O-N 3.08Å | ||
| 143 | G | 81.2 | Confident | 93.5 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 18% | 0.175 | 16% | 0.162 | C | C | . | . | trans | -114.8 | 139.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N147 | G143-N147 WeakPolarHBondContact CA-OD1 3.35Š| ||
| 144 | D | 86.2 | Confident | 93.5 | Very high | 102 Ų | 102 | 29.5 Ų | 29.5 | 55% | 0.545 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -92.5 | -15.8 | -177.1 | -69.1 | -49.1 | 0 | 0 | 0 | 113.2 | Q88 N147 | Q88-D144 HydrophobicContact CB-CB 4.28Å; Q88-D144 WeakPolarHBondContact O-CB 3.34Å; D144-N147 PolarHBondContact N-OD1 2.91Å |
| 145 | C | 90.7 | Very high | 93.5 | Very high | 22 Ų | 22 | 26.8 Ų | 26.8 | 15% | 0.149 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -132.4 | 41.9 | -172.8 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | C83 N147 V167 | C83-C145 WeakPolarHBondContact CA-SG 3.2Å; C83-C145 HydrophobicContact CB-CB 4.01Å; C83-C145 WeakPolarHBondContact CB-SG 3.36Å; C83-C145 WeakPolarHBondContact SG-CB 3.46Å; C83-C145 CovalentContact SG-SG 2.01Å; C83-C145 PolarHBondContact SG-SG 3.23Å; C145-N147 PolarHBondContact N-OD1 3.34Å; C145-N147 VanDerWaalsContact N-OD1 3.14Å; C145-N147 PolarHBondContact O-N 3.41Å; C145-N147 VanDerWaalsContact O-N 3.08Å; C145-V167 WeakPolarHBondContact O-CG2 3.26Å |
| 146 | D | 92.5 | Very high | 93.3 | Very high | 55 Ų | 55 | 27.3 Ų | 27.3 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 53.4 | 29.6 | -176.3 | -59.6 | -33.1 | 0 | 0 | 0 | 112.8 | D165 R166 V167 T168 | D146-D165 HydrophobicContact CB-CB 3.97Å; D146-D165 WeakPolarHBondContact O-CB 3.33Å; D146-R166 HydrophobicContact CB-CB 4.01Å; D146-R166 IonicContact OD2-CZ 3.74Å; D146-R166 VanDerWaalsContact OD2-CZ 3.3Å; D146-R166 IonicContact OD2-NE 2.95Å; D146-R166 PolarHBondContact OD2-NE 3.44Å; D146-R166 IonicContact OD2-NH2 3.62Å; D146-R166 PolarHBondContact OD2-NH2 2.66Å; D146-V167 HydrophobicContact CB-CB 4.18Å; D146-V167 HydrophobicContact CB-CG2 3.99Å; D146-V167 WeakPolarHBondContact O-CA 3.47Å; D146-V167 VanDerWaalsContact O-CB 3.32Å; D146-V167 WeakPolarHBondContact O-CB 3.41Å; D146-V167 PolarHBondContact O-N 3.5Å; D146-T168 PolarHBondContact O-N 3.49Å; D146-T168 VanDerWaalsContact O-N 3.08Å; D146-T168 PolarHBondContact O-OG1 3.41Å |
| 147 | N | 93.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | trans | -106 | 24.4 | -173.9 | 62.8 | -36.5 | 0 | 0 | 0 | 112.2 | G102 F103 V104 G143 D144 C145 T168 | G102-N147 PolarHBondContact O-ND2 2.92Å; F103-N147 WeakPolarHBondContact CA-O 3.05Å; F103-N147 HydrophobicContact CD1-CB 3.99Å; F103-N147 HydrophobicContact CE1-CB 4.27Å; V104-N147 PolarHBondContact N-O 3.16Å; G143-N147 WeakPolarHBondContact CA-OD1 3.35Å; D144-N147 PolarHBondContact N-OD1 2.91Å; C145-N147 PolarHBondContact N-OD1 3.34Å; C145-N147 VanDerWaalsContact N-OD1 3.14Å; C145-N147 PolarHBondContact O-N 3.41Å; C145-N147 VanDerWaalsContact O-N 3.08Å; N147-T168 VanDerWaalsContact CA-OG1 3.23Å; N147-T168 WeakPolarHBondContact CA-OG1 3.27Å | ||
| 148 | S | 94.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 154.6 | 178.1 | 90.3 | 0 | 0 | 0 | 0 | 113.2 | V104 D165 T168 | V104-S148 CarbonylContact O-C 3.59Å; V104-S148 WeakPolarHBondContact O-CA 3.49Å; S148-D165 WeakPolarHBondContact CB-OD2 3.35Å; S148-D165 PolarHBondContact O-N 2.89Å; S148-D165 PolarHBondContact OG-OD2 3.41Å; S148-T168 PolarHBondContact N-OG1 2.86Å; S148-T168 VanDerWaalsContact N-OG1 3.13Å; S148-T168 WeakPolarHBondContact O-CB 3.47Å; S148-T168 PolarHBondContact O-OG1 3.18Å |
| 149 | A | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V104 T105 T106 A163 T164 T168 Y208 | V104-A149 PolarHBondContact O-N 2.94Å; T105-A149 CarbonylContact C-O 3.6Å; T105-A149 WeakPolarHBondContact CA-O 3.03Å; T105-A149 HydrophobicContact CG2-CB 4.39Å; T106-A149 PolarHBondContact N-O 2.93Å; T106-A149 PolarHBondContact OG1-O 3.18Å; T106-A149 VanDerWaalsContact OG1-O 3.1Å; A149-A163 WeakPolarHBondContact CA-O 3.49Å; A149-T164 HydrophobicContact CB-CG2 4.2Å; A149-T168 HydrophobicContact CB-CG2 4.16Å; A149-Y208 WeakPolarHBondContact CB-OH 3.33Å |
| 150 | L | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.9 | 170 | -176.2 | 149.6 | 0 | 0 | 0 | 109.6 | T106 A108 A133 V136 R137 W140 L152 I162 A163 | T106-L150 CarbonylContact O-C 3.59Å; T106-L150 WeakPolarHBondContact O-CA 3.48Å; A108-L150 HydrophobicContact CB-CD1 4.46Å; A108-L150 HydrophobicContact CB-CD2 4.2Å; A133-L150 HydrophobicContact CB-CD2 3.78Å; V136-L150 HydrophobicContact CB-CD1 3.99Å; V136-L150 HydrophobicContact CG1-CD1 3.6Å; R137-L150 HydrophobicContact CB-CB 3.86Å; R137-L150 HydrophobicContact CB-CD1 4.06Å; R137-L150 HydrophobicContact CG-CB 4.09Å; W140-L150 HydrophobicContact CD2-CD1 4.48Å; W140-L150 HydrophobicContact CE3-CD1 3.69Å; W140-L150 HydrophobicContact CH2-CD1 4.29Å; W140-L150 HydrophobicContact CZ3-CD1 3.57Å; W140-L150 HydrophobicContact CZ3-CG 4.39Å; L150-L152 HydrophobicContact CD2-CB 4Å; L150-I162 CarbonylContact O-C 3.59Å; L150-I162 WeakPolarHBondContact O-CA 3.44Å; L150-A163 PolarHBondContact N-O 3.4Å; L150-A163 PolarHBondContact O-N 3Å |
| 151 | I | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.1 | 170.4 | -58.8 | 166.3 | 0 | 0 | 0 | 107.3 | T105 T106 V107 A108 L160 H161 I162 L197 I200 L201 L204 | T105-I151 HydrophobicContact CG2-CD1 3.55Å; T105-I151 HydrophobicContact CG2-CG1 3.94Å; T106-I151 PolarHBondContact O-N 3.26Å; V107-I151 CarbonylContact C-O 3.58Å; V107-I151 WeakPolarHBondContact CA-O 3.16Å; V107-I151 HydrophobicContact CG2-CB 4.19Å; V107-I151 HydrophobicContact CG2-CD1 4.18Å; A108-I151 PolarHBondContact N-O 2.72Å; I151-L160 HydrophobicContact CG2-CD1 3.61Å; I151-H161 CarbonylContact C-O 2.87Å; I151-H161 WeakPolarHBondContact CA-O 3.49Å; I151-I162 HydrophobicContact CG1-CG1 4.41Å; I151-L197 HydrophobicContact CG2-CD2 4.06Å; I151-I200 HydrophobicContact CD1-CB 4.43Å; I151-I200 HydrophobicContact CD1-CG2 3.56Å; I151-I200 HydrophobicContact CG1-CG2 4.26Å; I151-I200 HydrophobicContact CG2-CD1 4.21Å; I151-L201 HydrophobicContact CD1-CD2 4.25Å; I151-L204 HydrophobicContact CD1-CD1 4.03Å |
| 152 | L | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.6 | 173.7 | 174.4 | 67.2 | 0 | 0 | 0 | 109.2 | A108 V110 A129 F132 A133 L150 L160 H161 | A108-L152 HydrophobicContact CB-CD1 4.21Å; A108-L152 WeakPolarHBondContact O-CA 3.44Å; V110-L152 HydrophobicContact CG1-CD1 3.82Å; A129-L152 HydrophobicContact CB-CD2 3.91Å; A129-L152 WeakPolarHBondContact O-CD2 3.48Å; F132-L152 HydrophobicContact CD1-CD1 3.8Å; F132-L152 HydrophobicContact CD1-CD2 3.89Å; F132-L152 HydrophobicContact CD1-CG 4.49Å; F132-L152 HydrophobicContact CE1-CD1 3.7Å; A133-L152 HydrophobicContact CB-CB 4.11Å; A133-L152 HydrophobicContact CB-CD2 4.12Å; L150-L152 HydrophobicContact CD2-CB 4Å; L152-L160 CarbonylContact O-C 3.52Å; L152-L160 WeakPolarHBondContact O-CA 3.18Å; L152-H161 HydrophobicContact CB-CB 4.31Å; L152-H161 PolarHBondContact N-O 2.82Å; L152-H161 PolarHBondContact O-N 2.97Å |
| 153 | I | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117 | 164.7 | -68.5 | 175.2 | 0 | 0 | 0 | 107.8 | A108 L109 V110 L160 I188 Y193 L197 | A108-I153 PolarHBondContact O-N 2.77Å; L109-I153 HydrophobicContact CD2-CB 3.75Å; L109-I153 HydrophobicContact CD2-CD1 3.98Å; L109-I153 HydrophobicContact CD2-CG1 4.4Å; L109-I153 HydrophobicContact CD2-CG2 3.89Å; V110-I153 PolarHBondContact N-O 2.77Å; I153-L160 HydrophobicContact CG1-CD1 4.04Å; I153-I188 HydrophobicContact CD1-CD1 4.05Å; I153-I188 HydrophobicContact CG1-CD1 4.15Å; I153-Y193 HydrophobicContact CD1-CD1 4.33Å; I153-Y193 HydrophobicContact CG2-CD1 3.7Å; I153-Y193 HydrophobicContact CG2-CE1 3.65Å; I153-Y193 HydrophobicContact CG2-CG 4.46Å; I153-L197 HydrophobicContact CD1-CD1 4.17Å; I153-L197 HydrophobicContact CD1-CD2 3.78Å; I153-L197 HydrophobicContact CD1-CG 3.84Å |
| 154 | W | 96.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 100.7 | 176.9 | -179.3 | 11.4 | 0 | 0 | 0 | 109.9 | V110 L113 T115 P120 A125 V128 A129 S156 Q157 S158 I159 | V110-W154 HydrophobicContact CG1-CB 4.01Å; V110-W154 HydrophobicContact CG1-CG 4.17Å; V110-W154 WeakPolarHBondContact O-CA 3.44Å; L113-W154 HydrophobicContact CB-CD2 4.41Å; L113-W154 HydrophobicContact CB-CH2 4.16Å; L113-W154 HydrophobicContact CB-CZ2 3.69Å; L113-W154 HydrophobicContact CD1-CD2 3.73Å; L113-W154 HydrophobicContact CD1-CE3 3.7Å; L113-W154 HydrophobicContact CD1-CG 4.28Å; L113-W154 HydrophobicContact CD1-CH2 4.22Å; L113-W154 HydrophobicContact CD1-CZ2 4.27Å; L113-W154 HydrophobicContact CD1-CZ3 3.95Å; L113-W154 HydrophobicContact CG-CD2 3.89Å; L113-W154 HydrophobicContact CG-CE3 4.35Å; L113-W154 HydrophobicContact CG-CG 4.21Å; L113-W154 HydrophobicContact CG-CZ2 4.12Å; T115-W154 HydrophobicContact CG2-CH2 4.06Å; T115-W154 HydrophobicContact CG2-CZ2 4.4Å; P120-W154 HydrophobicContact CG-CH2 4.13Å; A125-W154 HydrophobicContact CB-CZ3 4.28Å; V128-W154 HydrophobicContact CB-CZ3 4.37Å; V128-W154 HydrophobicContact CG1-CH2 4.24Å; V128-W154 HydrophobicContact CG1-CZ3 4.19Å; A129-W154 HydrophobicContact CB-CE3 4.14Å; A129-W154 HydrophobicContact CB-CZ3 4.49Å; W154-S156 PolarHBondContact NE1-OG 2.89Å; W154-Q157 HydrophobicContact CD2-CB 3.89Å; W154-Q157 HydrophobicContact CD2-CG 3.82Å; W154-Q157 VanDerWaalsContact CE2-CG 3.47Å; W154-Q157 HydrophobicContact CE3-CB 4Å; W154-Q157 HydrophobicContact CE3-CG 3.95Å; W154-Q157 HydrophobicContact CG-CB 4.39Å; W154-Q157 HydrophobicContact CH2-CB 4.45Å; W154-Q157 HydrophobicContact CH2-CG 3.53Å; W154-Q157 HydrophobicContact CZ2-CB 4.33Å; W154-Q157 HydrophobicContact CZ2-CG 3.33Å; W154-Q157 HydrophobicContact CZ3-CB 4.28Å; W154-Q157 HydrophobicContact CZ3-CG 3.83Å; W154-Q157 PolarHBondContact O-N 3.37Å; W154-S158 PolarHBondContact O-N 3.49Å; W154-I159 HydrophobicContact CB-CB 4.33Å; W154-I159 HydrophobicContact CE3-CD1 3.98Å; W154-I159 HydrophobicContact CZ3-CD1 4.23Å; W154-I159 PolarHBondContact N-O 2.92Å; W154-I159 PolarHBondContact O-N 3.37Å |
| 155 | E | 96.2 | Very high | 95.8 | Very high | 23 Ų | 23 | 15.9 Ų | 15.9 | 11% | 0.107 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -60.2 | -49.6 | -172.2 | 168.7 | 169.7 | -103.7 | 0 | 0 | 112.9 | L59 V110 R111 Q157 S158 K191 Y193 | L59-E155 HydrophobicContact CD1-CB 3.99Å; V110-E155 PolarHBondContact O-N 2.86Å; R111-E155 WeakPolarHBondContact CG-OE2 3.38Å; R111-E155 IonicContact CZ-OE2 3.46Å; R111-E155 IonicContact NE-OE2 3.9Å; R111-E155 PolarHBondContact NE-OE2 3.38Å; R111-E155 IonicContact NH2-OE2 3.73Å; E155-Q157 PolarHBondContact O-N 3.28Å; E155-Q157 VanDerWaalsContact O-N 3.12Å; E155-S158 PolarHBondContact O-N 2.98Å; E155-K191 WeakPolarHBondContact OE1-CD 3.41Å; E155-K191 VanDerWaalsContact OE1-CE 3.28Å; E155-K191 WeakPolarHBondContact OE1-CE 3.47Å; E155-K191 IonicContact OE1-NZ 2.8Å; E155-K191 PolarHBondContact OE1-NZ 2.77Å; E155-K191 IonicContact OE2-NZ 3.59Å; E155-Y193 VanDerWaalsContact CB-OH 3.27Å; E155-Y193 WeakPolarHBondContact CB-OH 3.46Å; E155-Y193 WeakPolarHBondContact CG-OH 3.21Å; E155-Y193 PolarHBondContact OE1-OH 2.82Å |
| 156 | S | 92.9 | Very high | 95.8 | Very high | 54 Ų | 54 | 23.6 Ų | 23.6 | 38% | 0.378 | 12% | 0.118 | S | C | . | . | G | 310 helix | trans | -64.8 | -22.7 | -171.3 | 74.8 | 0 | 0 | 0 | 0 | 113.8 | R111 W154 | R111-S156 WeakPolarHBondContact O-CB 3.29Å; R111-S156 PolarHBondContact O-N 2.82Å; R111-S156 PolarHBondContact O-OG 3.36Å; W154-S156 PolarHBondContact NE1-OG 2.89Å |
| 157 | Q | 92.3 | Very high | 95.8 | Very high | 42 Ų | 42 | 22.5 Ų | 22.5 | 20% | 0.196 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -107.7 | 1 | 176.1 | -63.6 | -61.9 | -16.3 | 0 | 0 | 112.8 | A125 W154 E155 I159 | A125-Q157 HydrophobicContact CB-CG 4.43Å; W154-Q157 HydrophobicContact CD2-CB 3.89Å; W154-Q157 HydrophobicContact CD2-CG 3.82Å; W154-Q157 VanDerWaalsContact CE2-CG 3.47Å; W154-Q157 HydrophobicContact CE3-CB 4Å; W154-Q157 HydrophobicContact CE3-CG 3.95Å; W154-Q157 HydrophobicContact CG-CB 4.39Å; W154-Q157 HydrophobicContact CH2-CB 4.45Å; W154-Q157 HydrophobicContact CH2-CG 3.53Å; W154-Q157 HydrophobicContact CZ2-CB 4.33Å; W154-Q157 HydrophobicContact CZ2-CG 3.33Å; W154-Q157 HydrophobicContact CZ3-CB 4.28Å; W154-Q157 HydrophobicContact CZ3-CG 3.83Å; W154-Q157 PolarHBondContact O-N 3.37Å; E155-Q157 PolarHBondContact O-N 3.28Å; E155-Q157 VanDerWaalsContact O-N 3.12Å; Q157-I159 HydrophobicContact CB-CD1 3.73Å; Q157-I159 HydrophobicContact CB-CG1 3.92Å; Q157-I159 PolarHBondContact O-N 3.26Å |
| 158 | S | 95.5 | Very high | 95.8 | Very high | 47 Ų | 47 | 22.4 Ų | 22.4 | 33% | 0.329 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 39.7 | -173.7 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | W154 E155 I188 | W154-S158 PolarHBondContact O-N 3.49Å; E155-S158 PolarHBondContact O-N 2.98Å; S158-I188 VanDerWaalsContact C-CG2 3.48Å; S158-I188 WeakPolarHBondContact O-CG2 3.45Å |
| 159 | I | 95.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 25.4 Ų | 25.4 | 13% | 0.128 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 130.9 | -177.9 | -69.9 | 172.4 | 0 | 0 | 0 | 110.3 | A125 L126 A129 W154 Q157 H161 | A125-I159 HydrophobicContact CB-CD1 3.58Å; L126-I159 HydrophobicContact CD1-CG2 4.47Å; A129-I159 HydrophobicContact CB-CG2 3.81Å; W154-I159 HydrophobicContact CB-CB 4.33Å; W154-I159 HydrophobicContact CE3-CD1 3.98Å; W154-I159 HydrophobicContact CZ3-CD1 4.23Å; W154-I159 PolarHBondContact N-O 2.92Å; W154-I159 PolarHBondContact O-N 3.37Å; Q157-I159 HydrophobicContact CB-CD1 3.73Å; Q157-I159 HydrophobicContact CB-CG1 3.92Å; Q157-I159 PolarHBondContact O-N 3.26Å; I159-H161 HydrophobicContact CG2-CB 4.39Å |
| 160 | L | 97.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 28 Ų | 28 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.9 | 160.7 | 166.7 | 66.4 | 0 | 0 | 0 | 108.3 | I151 L152 I153 Q181 L184 I188 I200 | I151-L160 HydrophobicContact CG2-CD1 3.61Å; L152-L160 CarbonylContact O-C 3.52Å; L152-L160 WeakPolarHBondContact O-CA 3.18Å; I153-L160 HydrophobicContact CG1-CD1 4.04Å; L160-Q181 HydrophobicContact CG-CG 4.42Å; L160-Q181 WeakPolarHBondContact O-CG 3.38Å; L160-Q181 PolarHBondContact O-NE2 3.42Å; L160-L184 HydrophobicContact CD2-CB 4.09Å; L160-L184 HydrophobicContact CD2-CD1 4.03Å; L160-I188 HydrophobicContact CB-CD1 4.03Å; L160-I188 HydrophobicContact CB-CG1 3.84Å; L160-I188 HydrophobicContact CD2-CD1 4.44Å; L160-I188 HydrophobicContact CD2-CG1 4.37Å; L160-I200 HydrophobicContact CD1-CD1 3.63Å; L160-I200 HydrophobicContact CD2-CD1 3.6Å; L160-I200 HydrophobicContact CD2-CG1 4.36Å; L160-I200 HydrophobicContact CG-CD1 4.26Å |
| 161 | H | 97.4 | Very high | 95.3 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.9 | 173.6 | -176.1 | 77.8 | 0 | 0 | 0 | 110.9 | A129 I151 L152 I159 | A129-H161 HydrophobicContact CB-CB 4.41Å; I151-H161 CarbonylContact C-O 2.87Å; I151-H161 WeakPolarHBondContact CA-O 3.49Å; L152-H161 HydrophobicContact CB-CB 4.31Å; L152-H161 PolarHBondContact N-O 2.82Å; L152-H161 PolarHBondContact O-N 2.97Å; I159-H161 HydrophobicContact CG2-CB 4.39Å |
| 162 | I | 98 | Very high | 95 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 115.2 | 177 | -53.2 | 177.8 | 0 | 0 | 0 | 107.3 | L150 I151 T164 I177 I180 I200 | L150-I162 CarbonylContact O-C 3.59Å; L150-I162 WeakPolarHBondContact O-CA 3.44Å; I151-I162 HydrophobicContact CG1-CG1 4.41Å; I162-T164 HydrophobicContact CG2-CG2 4.1Å; I162-I177 HydrophobicContact CB-CD1 4.4Å; I162-I177 HydrophobicContact CB-CG1 4.27Å; I162-I177 HydrophobicContact CB-CG2 3.98Å; I162-I177 HydrophobicContact CG1-CG2 4.47Å; I162-I177 HydrophobicContact CG2-CD1 4.47Å; I162-I180 HydrophobicContact CD1-CD1 4.4Å; I162-I180 HydrophobicContact CD1-CG2 4.07Å; I162-I200 HydrophobicContact CD1-CG2 4.06Å |
| 163 | A | 97.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 110.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A133 R134 R137 A149 L150 | A133-A163 HydrophobicContact CB-CB 3.75Å; R134-A163 HydrophobicContact CG-CB 4.23Å; R137-A163 WeakPolarHBondContact CD-O 3.43Å; R137-A163 PolarHBondContact NH1-O 3.2Å; A149-A163 WeakPolarHBondContact CA-O 3.49Å; L150-A163 PolarHBondContact N-O 3.4Å; L150-A163 PolarHBondContact O-N 3Å |
| 164 | T | 95.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 144.1 | -179.9 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | R137 A149 I162 T168 I177 | R137-T164 VanDerWaalsContact CZ-O 3.31Å; R137-T164 PolarHBondContact NH1-O 2.82Å; R137-T164 PolarHBondContact NH2-O 2.97Å; A149-T164 HydrophobicContact CB-CG2 4.2Å; I162-T164 HydrophobicContact CG2-CG2 4.1Å; T164-T168 HydrophobicContact CG2-CG2 3.83Å; T164-I177 HydrophobicContact CG2-CD1 3.9Å |
| 165 | D | 94.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 12% | 0.123 | 19% | 0.189 | C | C | . | . | trans | -73.1 | 174.1 | 166.8 | -82.4 | -33.5 | 0 | 0 | 0 | 111.8 | R137 D146 S148 V167 T168 K169 | R137-D165 IonicContact CZ-OD1 2.89Å; R137-D165 IonicContact NE-OD1 3.59Å; R137-D165 PolarHBondContact NE-OD1 3.37Å; R137-D165 IonicContact NE-OD2 2.88Å; R137-D165 IonicContact NH2-OD1 3.56Å; R137-D165 PolarHBondContact NH2-OD1 2.81Å; D146-D165 HydrophobicContact CB-CB 3.97Å; D146-D165 WeakPolarHBondContact O-CB 3.33Å; S148-D165 WeakPolarHBondContact CB-OD2 3.35Å; S148-D165 PolarHBondContact O-N 2.89Å; S148-D165 PolarHBondContact OG-OD2 3.41Å; D165-V167 PolarHBondContact O-N 3.02Å; D165-T168 PolarHBondContact O-N 2.84Å; D165-K169 VanDerWaalsContact O-CB 3.32Å; D165-K169 WeakPolarHBondContact O-CB 3.41Å; D165-K169 PolarHBondContact O-N 2.88Å | ||
| 166 | R | 91.7 | Very high | 93.9 | Very high | 185 Ų | 185 | 40.7 Ų | 40.7 | 70% | 0.698 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -45.9 | -172.5 | -178.2 | 177.6 | 57.6 | 163.6 | -0.6 | 113.5 | D146 | D146-R166 HydrophobicContact CB-CB 4.01Å; D146-R166 IonicContact OD2-CZ 3.74Å; D146-R166 VanDerWaalsContact OD2-CZ 3.3Å; D146-R166 IonicContact OD2-NE 2.95Å; D146-R166 PolarHBondContact OD2-NE 3.44Å; D146-R166 IonicContact OD2-NH2 3.62Å; D146-R166 PolarHBondContact OD2-NH2 2.66Å |
| 167 | V | 91.6 | Very high | 94 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 19% | 0.194 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -42 | 179 | 171.4 | 0 | 0 | 0 | 0 | 110 | Q82 F103 C145 D146 D165 K169 L170 Y171 | Q82-V167 HydrophobicContact CB-CG1 3.87Å; Q82-V167 HydrophobicContact CG-CG1 3.92Å; F103-V167 HydrophobicContact CE1-CG1 4.46Å; C145-V167 WeakPolarHBondContact O-CG2 3.26Å; D146-V167 HydrophobicContact CB-CB 4.18Å; D146-V167 HydrophobicContact CB-CG2 3.99Å; D146-V167 WeakPolarHBondContact O-CA 3.47Å; D146-V167 VanDerWaalsContact O-CB 3.32Å; D146-V167 WeakPolarHBondContact O-CB 3.41Å; D146-V167 PolarHBondContact O-N 3.5Å; D165-V167 PolarHBondContact O-N 3.02Å; V167-K169 PolarHBondContact O-N 3.4Å; V167-L170 VanDerWaalsContact O-CB 3.3Å; V167-L170 WeakPolarHBondContact O-CB 3.17Å; V167-L170 PolarHBondContact O-N 3.13Å; V167-Y171 HydrophobicContact CG1-CE2 4.3Å; V167-Y171 WeakPolarHBondContact O-CD2 3.28Å |
| 168 | T | 93.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -56.7 | -35.7 | 176.3 | -47.6 | 0 | 0 | 0 | 0 | 113 | F103 D146 N147 S148 A149 T164 D165 L170 Y171 V172 Y208 | F103-T168 HydrophobicContact CD1-CG2 4.23Å; D146-T168 PolarHBondContact O-N 3.49Å; D146-T168 VanDerWaalsContact O-N 3.08Å; D146-T168 PolarHBondContact O-OG1 3.41Å; N147-T168 VanDerWaalsContact CA-OG1 3.23Å; N147-T168 WeakPolarHBondContact CA-OG1 3.27Å; S148-T168 PolarHBondContact N-OG1 2.86Å; S148-T168 VanDerWaalsContact N-OG1 3.13Å; S148-T168 WeakPolarHBondContact O-CB 3.47Å; S148-T168 PolarHBondContact O-OG1 3.18Å; A149-T168 HydrophobicContact CB-CG2 4.16Å; T164-T168 HydrophobicContact CG2-CG2 3.83Å; D165-T168 PolarHBondContact O-N 2.84Å; T168-L170 PolarHBondContact O-N 3.39Å; T168-Y171 PolarHBondContact O-N 2.96Å; T168-V172 PolarHBondContact O-N 2.89Å; T168-Y208 HydrophobicContact CG2-CE1 3.63Å; T168-Y208 VanDerWaalsContact CG2-OH 3.28Å; T168-Y208 WeakPolarHBondContact CG2-OH 3.41Å |
| 169 | K | 93.7 | Very high | 94 | Very high | 67 Ų | 67 | 44.3 Ų | 44.3 | 29% | 0.291 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -64.1 | -18.6 | 177.6 | -177.4 | 166.3 | 173 | 158.2 | 0 | 114.2 | D165 V167 Y171 E174 | D165-K169 VanDerWaalsContact O-CB 3.32Å; D165-K169 WeakPolarHBondContact O-CB 3.41Å; D165-K169 PolarHBondContact O-N 2.88Å; V167-K169 PolarHBondContact O-N 3.4Å; K169-Y171 VanDerWaalsContact C-N 3.29Å; K169-E174 WeakPolarHBondContact CE-OE1 3.38Å; K169-E174 VanDerWaalsContact NZ-CG 3.32Å; K169-E174 IonicContact NZ-OE1 3.3Å; K169-E174 PolarHBondContact NZ-OE1 3.14Å |
| 170 | L | 91.6 | Very high | 94 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -76.3 | -20.2 | 173.9 | -55.8 | 177.5 | 0 | 0 | 0 | 112.6 | V167 T168 P212 E213 H215 | V167-L170 VanDerWaalsContact O-CB 3.3Å; V167-L170 WeakPolarHBondContact O-CB 3.17Å; V167-L170 PolarHBondContact O-N 3.13Å; T168-L170 PolarHBondContact O-N 3.39Å; L170-P212 HydrophobicContact CB-CB 4.08Å; L170-P212 CarbonylContact O-C 3.56Å; L170-P212 WeakPolarHBondContact O-CA 3.34Å; L170-E213 PolarHBondContact O-N 3.43Å; L170-H215 HydrophobicContact CD2-CB 3.96Å |
| 171 | Y | 93.6 | Very high | 93.9 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -30.6 | 179.2 | -67.2 | -96.7 | 0 | 0 | 0 | 111.5 | Q82 F103 V167 T168 K169 P212 | Q82-Y171 VanDerWaalsContact CD-OH 3.28Å; Q82-Y171 PolarHBondContact NE2-OH 3.23Å; Q82-Y171 PolarHBondContact OE1-OH 3.46Å; F103-Y171 AromaticContact CE1-CD2 3.87Å; F103-Y171 HydrophobicContact CE1-CD2 3.87Å; F103-Y171 HydrophobicContact CE1-CE2 4.18Å; F103-Y171 HydrophobicContact CE1-CG 4.39Å; F103-Y171 HydrophobicContact CE2-CD2 4.46Å; F103-Y171 HydrophobicContact CE2-CE1 4.48Å; F103-Y171 HydrophobicContact CE2-CE2 4.44Å; F103-Y171 HydrophobicContact CE2-CG 4.49Å; F103-Y171 HydrophobicContact CZ-CD1 4.19Å; F103-Y171 AromaticContact CZ-CD2 3.43Å; F103-Y171 HydrophobicContact CZ-CD2 3.43Å; F103-Y171 VanDerWaalsContact CZ-CD2 3.43Å; F103-Y171 HydrophobicContact CZ-CE1 4.21Å; F103-Y171 AromaticContact CZ-CE2 3.47Å; F103-Y171 HydrophobicContact CZ-CE2 3.47Å; F103-Y171 VanDerWaalsContact CZ-CE2 3.47Å; F103-Y171 AromaticContact CZ-CG 3.81Å; F103-Y171 HydrophobicContact CZ-CG 3.81Å; F103-Y171 AromaticContact CZ-CZ 3.85Å; V167-Y171 HydrophobicContact CG1-CE2 4.3Å; V167-Y171 WeakPolarHBondContact O-CD2 3.28Å; T168-Y171 PolarHBondContact O-N 2.96Å; K169-Y171 VanDerWaalsContact C-N 3.29Å; Y171-P212 HydrophobicContact CD1-CB 4.34Å; Y171-P212 HydrophobicContact CD2-CB 4.3Å; Y171-P212 HydrophobicContact CE1-CB 4Å; Y171-P212 HydrophobicContact CE1-CG 4.32Å; Y171-P212 HydrophobicContact CE2-CB 3.93Å; Y171-P212 HydrophobicContact CG-CB 4.5Å |
| 172 | V | 93.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -130.8 | 96.4 | 179.6 | -175 | 0 | 0 | 0 | 0 | 108.1 | T168 I177 L204 E207 Y208 | T168-V172 PolarHBondContact O-N 2.89Å; V172-I177 HydrophobicContact CG1-CD1 4.36Å; V172-I177 HydrophobicContact CG1-CG1 3.78Å; V172-L204 HydrophobicContact CB-CD2 4.39Å; V172-L204 HydrophobicContact CG1-CD2 3.98Å; V172-L204 HydrophobicContact CG2-CD2 3.67Å; V172-E207 HydrophobicContact CG2-CB 3.68Å; V172-E207 HydrophobicContact CG2-CG 4.12Å; V172-Y208 HydrophobicContact CG2-CD1 4Å; V172-Y208 HydrophobicContact CG2-CE1 3.48Å; V172-Y208 VanDerWaalsContact CG2-CE1 3.48Å |
| 173 | T | 91.7 | Very high | 93.7 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | trans | -73 | 160.4 | -173.4 | 67.3 | 0 | 0 | 0 | 0 | 111.6 | K175 E176 I177 E213 | T173-K175 PolarHBondContact O-N 2.84Å; T173-E176 WeakPolarHBondContact CB-OE2 3.28Å; T173-E176 WeakPolarHBondContact CG2-OE2 3.4Å; T173-E176 PolarHBondContact N-OE2 3.07Å; T173-E176 PolarHBondContact O-N 2.92Å; T173-E176 WeakPolarHBondContact OG1-CG 3.49Å; T173-E176 PolarHBondContact OG1-N 3.1Å; T173-E176 VanDerWaalsContact OG1-N 3.13Å; T173-E176 PolarHBondContact OG1-OE2 3.45Å; T173-I177 VanDerWaalsContact O-CG1 3.3Å; T173-I177 WeakPolarHBondContact O-CG1 3.35Å; T173-I177 PolarHBondContact O-N 2.68Å; T173-E213 HydrophobicContact CG2-CB 4.38Å; T173-E213 WeakPolarHBondContact CG2-OE2 3.46Å | ||
| 174 | E | 91.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -34 | 174.6 | -61.2 | -70 | 175 | 0 | 0 | 111.7 | K169 I177 H178 | K169-E174 WeakPolarHBondContact CE-OE1 3.38Å; K169-E174 VanDerWaalsContact NZ-CG 3.32Å; K169-E174 IonicContact NZ-OE1 3.3Å; K169-E174 PolarHBondContact NZ-OE1 3.14Å; E174-I177 PolarHBondContact O-N 2.91Å; E174-H178 PolarHBondContact O-CD2 2.72Å; E174-H178 PolarHBondContact O-N 3.17Å |
| 175 | K | 90.8 | Very high | 93.8 | Very high | 148 Ų | 148 | 55.7 Ų | 55.7 | 64% | 0.643 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66 | -44.9 | 177.8 | -175.5 | -176.5 | 173.9 | -169.3 | 0 | 111.1 | T173 H178 Q179 | T173-K175 PolarHBondContact O-N 2.84Å; K175-H178 PolarHBondContact O-N 3.04Å; K175-Q179 WeakPolarHBondContact O-CG 3.48Å; K175-Q179 PolarHBondContact O-N 3.26Å |
| 176 | E | 92.2 | Very high | 93.9 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.7 | -73.6 | 152.5 | 170.6 | 0 | 0 | 111.2 | T173 H178 Q179 I180 | T173-E176 WeakPolarHBondContact CB-OE2 3.28Å; T173-E176 WeakPolarHBondContact CG2-OE2 3.4Å; T173-E176 PolarHBondContact N-OE2 3.07Å; T173-E176 PolarHBondContact O-N 2.92Å; T173-E176 WeakPolarHBondContact OG1-CG 3.49Å; T173-E176 PolarHBondContact OG1-N 3.1Å; T173-E176 VanDerWaalsContact OG1-N 3.13Å; T173-E176 PolarHBondContact OG1-OE2 3.45Å; E176-H178 VanDerWaalsContact C-N 3.3Å; E176-H178 PolarHBondContact O-N 3.3Å; E176-Q179 WeakPolarHBondContact O-CB 3.32Å; E176-Q179 PolarHBondContact O-N 2.86Å; E176-I180 VanDerWaalsContact O-CG1 3.25Å; E176-I180 WeakPolarHBondContact O-CG1 3.13Å; E176-I180 PolarHBondContact O-N 2.97Å |
| 177 | I | 94.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.9 | -47.2 | 174.1 | -69.1 | 169 | 0 | 0 | 0 | 110.4 | I162 T164 V172 T173 E174 Q179 I180 Q181 | I162-I177 HydrophobicContact CB-CD1 4.4Å; I162-I177 HydrophobicContact CB-CG1 4.27Å; I162-I177 HydrophobicContact CB-CG2 3.98Å; I162-I177 HydrophobicContact CG1-CG2 4.47Å; I162-I177 HydrophobicContact CG2-CD1 4.47Å; T164-I177 HydrophobicContact CG2-CD1 3.9Å; V172-I177 HydrophobicContact CG1-CD1 4.36Å; V172-I177 HydrophobicContact CG1-CG1 3.78Å; T173-I177 VanDerWaalsContact O-CG1 3.3Å; T173-I177 WeakPolarHBondContact O-CG1 3.35Å; T173-I177 PolarHBondContact O-N 2.68Å; E174-I177 PolarHBondContact O-N 2.91Å; I177-Q179 VanDerWaalsContact C-N 3.33Å; I177-Q179 PolarHBondContact O-N 2.91Å; I177-I180 PolarHBondContact O-N 2.91Å; I177-Q181 HydrophobicContact CG2-CG 4.4Å; I177-Q181 VanDerWaalsContact CG2-NE2 3.3Å; I177-Q181 WeakPolarHBondContact O-CB 3.36Å; I177-Q181 WeakPolarHBondContact O-CG 3.41Å; I177-Q181 PolarHBondContact O-N 2.89Å |
| 178 | H | 94.5 | Very high | 94.5 | Very high | 104 Ų | 104 | 50 Ų | 50 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 176.5 | -73.6 | -47 | 0 | 0 | 0 | 113.1 | E174 K175 E176 Q181 A182 | E174-H178 PolarHBondContact O-CD2 2.72Å; E174-H178 PolarHBondContact O-N 3.17Å; K175-H178 PolarHBondContact O-N 3.04Å; E176-H178 VanDerWaalsContact C-N 3.3Å; E176-H178 PolarHBondContact O-N 3.3Å; H178-Q181 PolarHBondContact ND1-OE1 3.2Å; H178-Q181 PolarHBondContact O-N 3.17Å; H178-A182 WeakPolarHBondContact O-CB 3.36Å; H178-A182 PolarHBondContact O-N 3.37Å |
| 179 | Q | 94.4 | Very high | 94.7 | Very high | 113 Ų | 113 | 58 Ų | 58 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 175.2 | -72.8 | 174.3 | -21 | 0 | 0 | 111.9 | K175 E176 I177 A182 H183 | K175-Q179 WeakPolarHBondContact O-CG 3.48Å; K175-Q179 PolarHBondContact O-N 3.26Å; E176-Q179 WeakPolarHBondContact O-CB 3.32Å; E176-Q179 PolarHBondContact O-N 2.86Å; I177-Q179 VanDerWaalsContact C-N 3.33Å; I177-Q179 PolarHBondContact O-N 2.91Å; Q179-A182 PolarHBondContact O-N 2.95Å; Q179-H183 WeakPolarHBondContact O-CB 3.45Å; Q179-H183 PolarHBondContact O-N 3.04Å |
| 180 | I | 94.8 | Very high | 94.9 | Very high | 11 Ų | 11 | 63 Ų | 63 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 174.7 | -66.3 | 164.7 | 0 | 0 | 0 | 109.9 | I162 E176 I177 A182 H183 L184 I200 I203 | I162-I180 HydrophobicContact CD1-CD1 4.4Å; I162-I180 HydrophobicContact CD1-CG2 4.07Å; E176-I180 VanDerWaalsContact O-CG1 3.25Å; E176-I180 WeakPolarHBondContact O-CG1 3.13Å; E176-I180 PolarHBondContact O-N 2.97Å; I177-I180 PolarHBondContact O-N 2.91Å; I180-A182 PolarHBondContact O-N 3.49Å; I180-H183 PolarHBondContact O-N 2.93Å; I180-L184 HydrophobicContact CG2-CD1 3.75Å; I180-L184 HydrophobicContact CG2-CG 4.47Å; I180-L184 WeakPolarHBondContact O-CB 3.21Å; I180-L184 WeakPolarHBondContact O-CG 3.45Å; I180-L184 PolarHBondContact O-N 2.83Å; I180-I200 HydrophobicContact CG2-CG1 4.02Å; I180-I203 HydrophobicContact CD1-CG2 3.7Å; I180-I203 HydrophobicContact CG1-CD1 4.19Å; I180-I203 HydrophobicContact CG1-CG2 4.1Å |
| 181 | Q | 95.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 65.9 Ų | 65.9 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -47.2 | 177.9 | -72.6 | 168.8 | -7.6 | 0 | 0 | 111.9 | L160 I177 H178 L184 A185 | L160-Q181 HydrophobicContact CG-CG 4.42Å; L160-Q181 WeakPolarHBondContact O-CG 3.38Å; L160-Q181 PolarHBondContact O-NE2 3.42Å; I177-Q181 HydrophobicContact CG2-CG 4.4Å; I177-Q181 VanDerWaalsContact CG2-NE2 3.3Å; I177-Q181 WeakPolarHBondContact O-CB 3.36Å; I177-Q181 WeakPolarHBondContact O-CG 3.41Å; I177-Q181 PolarHBondContact O-N 2.89Å; H178-Q181 PolarHBondContact ND1-OE1 3.2Å; H178-Q181 PolarHBondContact O-N 3.17Å; Q181-L184 PolarHBondContact O-N 2.99Å; Q181-A185 PolarHBondContact O-N 2.89Å; Q181-A185 VanDerWaalsContact O-N 3.13Å |
| 182 | A | 95.3 | Very high | 95.4 | Very high | 74 Ų | 74 | 66.3 Ų | 66.3 | 61% | 0.612 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | H178 Q179 I180 L184 | H178-A182 WeakPolarHBondContact O-CB 3.36Å; H178-A182 PolarHBondContact O-N 3.37Å; Q179-A182 PolarHBondContact O-N 2.95Å; I180-A182 PolarHBondContact O-N 3.49Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 3.22Å |
| 183 | H | 96.2 | Very high | 95.7 | Very high | 137 Ų | 137 | 66.8 Ų | 66.8 | 63% | 0.634 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65 | -36.1 | -179.6 | -178.6 | 55.4 | 0 | 0 | 0 | 112.6 | Q179 I180 | Q179-H183 WeakPolarHBondContact O-CB 3.45Å; Q179-H183 PolarHBondContact O-N 3.04Å; I180-H183 PolarHBondContact O-N 2.93Å |
| 184 | L | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -98.8 | 1 | -174.6 | -56.7 | 178.1 | 0 | 0 | 0 | 113.8 | L160 I180 Q181 A182 D186 L187 I188 L199 I200 | L160-L184 HydrophobicContact CD2-CB 4.09Å; L160-L184 HydrophobicContact CD2-CD1 4.03Å; I180-L184 HydrophobicContact CG2-CD1 3.75Å; I180-L184 HydrophobicContact CG2-CG 4.47Å; I180-L184 WeakPolarHBondContact O-CB 3.21Å; I180-L184 WeakPolarHBondContact O-CG 3.45Å; I180-L184 PolarHBondContact O-N 2.83Å; Q181-L184 PolarHBondContact O-N 2.99Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 3.22Å; L184-D186 VanDerWaalsContact C-N 3.31Å; L184-D186 PolarHBondContact O-N 3.34Å; L184-L187 HydrophobicContact CD2-CD1 3.96Å; L184-L187 WeakPolarHBondContact O-CB 3.04Å; L184-L187 PolarHBondContact O-N 2.71Å; L184-I188 WeakPolarHBondContact O-CG1 3.38Å; L184-I188 PolarHBondContact O-N 3.37Å; L184-I188 VanDerWaalsContact O-N 3.09Å; L184-L199 HydrophobicContact CD2-CB 4.01Å; L184-L199 HydrophobicContact CD2-CD1 3.68Å; L184-I200 HydrophobicContact CD1-CD1 3.8Å; L184-I200 HydrophobicContact CD1-CG1 3.19Å |
| 185 | A | 96.3 | Very high | 96.3 | Very high | 49 Ų | 49 | 71.6 Ų | 71.6 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -54 | -42.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q181 L187 I188 Y189 | Q181-A185 PolarHBondContact O-N 2.89Å; Q181-A185 VanDerWaalsContact O-N 3.13Å; A185-L187 PolarHBondContact O-N 2.94Å; A185-I188 PolarHBondContact O-N 3.43Å; A185-Y189 WeakPolarHBondContact O-CB 3.37Å; A185-Y189 PolarHBondContact O-N 3.22Å |
| 186 | D | 97.8 | Very high | 96.6 | Very high | 81 Ų | 81 | 64.6 Ų | 64.6 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 177.9 | 177.5 | 78.1 | 0 | 0 | 0 | 112.3 | L184 Y189 R190 | L184-D186 VanDerWaalsContact C-N 3.31Å; L184-D186 PolarHBondContact O-N 3.34Å; D186-Y189 PolarHBondContact O-N 2.71Å; D186-R190 VanDerWaalsContact CG-NE 3.26Å; D186-R190 WeakPolarHBondContact O-CB 3.4Å; D186-R190 VanDerWaalsContact O-CG 3.3Å; D186-R190 WeakPolarHBondContact O-CG 3.39Å; D186-R190 PolarHBondContact O-N 3.17Å; D186-R190 IonicContact OD1-CZ 3.37Å; D186-R190 IonicContact OD1-NE 2.87Å; D186-R190 PolarHBondContact OD1-NE 3.28Å; D186-R190 IonicContact OD1-NH2 2.97Å; D186-R190 PolarHBondContact OD1-NH2 3.48Å; D186-R190 IonicContact OD2-CZ 3.54Å; D186-R190 IonicContact OD2-NE 2.97Å; D186-R190 PolarHBondContact OD2-NE 3.09Å; D186-R190 IonicContact OD2-NH2 3.56Å |
| 187 | L | 98.2 | Very high | 96.9 | Very high | 39 Ų | 39 | 62 Ų | 62 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 176.8 | -66.9 | 177.9 | 0 | 0 | 0 | 111.6 | L184 A185 R190 K191 A192 R195 A196 L199 | L184-L187 HydrophobicContact CD2-CD1 3.96Å; L184-L187 WeakPolarHBondContact O-CB 3.04Å; L184-L187 PolarHBondContact O-N 2.71Å; A185-L187 PolarHBondContact O-N 2.94Å; L187-R190 PolarHBondContact O-N 3.39Å; L187-K191 PolarHBondContact O-N 2.96Å; L187-K191 VanDerWaalsContact O-N 3.16Å; L187-A192 HydrophobicContact CB-CB 4.26Å; L187-A192 HydrophobicContact CD2-CB 3.96Å; L187-A192 PolarHBondContact O-N 2.8Å; L187-R195 HydrophobicContact CD1-CG 4.06Å; L187-R195 HydrophobicContact CD2-CG 4.38Å; L187-A196 HydrophobicContact CB-CB 4.1Å; L187-A196 HydrophobicContact CD1-CB 4.37Å; L187-L199 HydrophobicContact CD1-CD1 3.67Å |
| 188 | I | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.5 | -59.6 | -64.6 | 0 | 0 | 0 | 110.4 | I153 S158 L160 L184 A185 R190 K191 Y193 A196 | I153-I188 HydrophobicContact CD1-CD1 4.05Å; I153-I188 HydrophobicContact CG1-CD1 4.15Å; S158-I188 VanDerWaalsContact C-CG2 3.48Å; S158-I188 WeakPolarHBondContact O-CG2 3.45Å; L160-I188 HydrophobicContact CB-CD1 4.03Å; L160-I188 HydrophobicContact CB-CG1 3.84Å; L160-I188 HydrophobicContact CD2-CD1 4.44Å; L160-I188 HydrophobicContact CD2-CG1 4.37Å; L184-I188 WeakPolarHBondContact O-CG1 3.38Å; L184-I188 PolarHBondContact O-N 3.37Å; L184-I188 VanDerWaalsContact O-N 3.09Å; A185-I188 PolarHBondContact O-N 3.43Å; I188-R190 VanDerWaalsContact C-N 3.32Å; I188-R190 PolarHBondContact O-N 2.93Å; I188-K191 PolarHBondContact O-N 3.17Å; I188-Y193 HydrophobicContact CD1-CD1 4.49Å; I188-A196 HydrophobicContact CD1-CB 3.74Å |
| 189 | Y | 97.1 | Very high | 97.3 | Very high | 168 Ų | 168 | 60.4 Ų | 60.4 | 66% | 0.659 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59 | -41.6 | 175.9 | 178.5 | -102.9 | 0 | 0 | 0 | 112.5 | A185 D186 K191 | A185-Y189 WeakPolarHBondContact O-CB 3.37Å; A185-Y189 PolarHBondContact O-N 3.22Å; D186-Y189 PolarHBondContact O-N 2.71Å; Y189-K191 PolarHBondContact O-N 2.85Å |
| 190 | R | 97.7 | Very high | 97.4 | Very high | 171 Ų | 171 | 55 Ų | 55 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 3.7 | 176.6 | -65.4 | 178.2 | -164.9 | -133.2 | 4.6 | 114 | D186 L187 I188 A192 | D186-R190 VanDerWaalsContact CG-NE 3.26Å; D186-R190 WeakPolarHBondContact O-CB 3.4Å; D186-R190 VanDerWaalsContact O-CG 3.3Å; D186-R190 WeakPolarHBondContact O-CG 3.39Å; D186-R190 PolarHBondContact O-N 3.17Å; D186-R190 IonicContact OD1-CZ 3.37Å; D186-R190 IonicContact OD1-NE 2.87Å; D186-R190 PolarHBondContact OD1-NE 3.28Å; D186-R190 IonicContact OD1-NH2 2.97Å; D186-R190 PolarHBondContact OD1-NH2 3.48Å; D186-R190 IonicContact OD2-CZ 3.54Å; D186-R190 IonicContact OD2-NE 2.97Å; D186-R190 PolarHBondContact OD2-NE 3.09Å; D186-R190 IonicContact OD2-NH2 3.56Å; L187-R190 PolarHBondContact O-N 3.39Å; I188-R190 VanDerWaalsContact C-N 3.32Å; I188-R190 PolarHBondContact O-N 2.93Å; R190-A192 PolarHBondContact O-N 3.16Å |
| 191 | K | 97.9 | Very high | 97.6 | Very high | 115 Ų | 115 | 54.7 Ų | 54.7 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27.6 | -176.5 | -48.9 | -172.8 | 170.5 | -158.7 | 0 | 114.1 | E155 L187 I188 Y189 Y193 | E155-K191 WeakPolarHBondContact OE1-CD 3.41Å; E155-K191 VanDerWaalsContact OE1-CE 3.28Å; E155-K191 WeakPolarHBondContact OE1-CE 3.47Å; E155-K191 IonicContact OE1-NZ 2.8Å; E155-K191 PolarHBondContact OE1-NZ 2.77Å; E155-K191 IonicContact OE2-NZ 3.59Å; L187-K191 PolarHBondContact O-N 2.96Å; L187-K191 VanDerWaalsContact O-N 3.16Å; I188-K191 PolarHBondContact O-N 3.17Å; Y189-K191 PolarHBondContact O-N 2.85Å; K191-Y193 HydrophobicContact CB-CE1 4.16Å; K191-Y193 HydrophobicContact CB-CE2 3.9Å; K191-Y193 HydrophobicContact CG-CE2 4.48Å; K191-Y193 WeakPolarHBondContact CG-OH 3.23Å; K191-Y193 PolarHBondContact O-N 3.01Å |
| 192 | A | 98.1 | Very high | 97.6 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | trans | -80.6 | 55.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L187 R190 L194 R195 A196 | L187-A192 HydrophobicContact CB-CB 4.26Å; L187-A192 HydrophobicContact CD2-CB 3.96Å; L187-A192 PolarHBondContact O-N 2.8Å; R190-A192 PolarHBondContact O-N 3.16Å; A192-L194 PolarHBondContact O-N 2.91Å; A192-R195 PolarHBondContact O-N 2.97Å; A192-A196 PolarHBondContact O-N 3.44Å | ||
| 193 | Y | 98.4 | Very high | 97.6 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | -168.3 | -55.1 | -46.2 | 0 | 0 | 0 | 113.4 | L59 I153 E155 I188 K191 R195 A196 L197 | L59-Y193 HydrophobicContact CB-CD2 4.1Å; L59-Y193 HydrophobicContact CB-CE2 4Å; L59-Y193 HydrophobicContact CD1-CE2 4.23Å; I153-Y193 HydrophobicContact CD1-CD1 4.33Å; I153-Y193 HydrophobicContact CG2-CD1 3.7Å; I153-Y193 HydrophobicContact CG2-CE1 3.65Å; I153-Y193 HydrophobicContact CG2-CG 4.46Å; E155-Y193 VanDerWaalsContact CB-OH 3.27Å; E155-Y193 WeakPolarHBondContact CB-OH 3.46Å; E155-Y193 WeakPolarHBondContact CG-OH 3.21Å; E155-Y193 PolarHBondContact OE1-OH 2.82Å; I188-Y193 HydrophobicContact CD1-CD1 4.49Å; K191-Y193 HydrophobicContact CB-CE1 4.16Å; K191-Y193 HydrophobicContact CB-CE2 3.9Å; K191-Y193 HydrophobicContact CG-CE2 4.48Å; K191-Y193 WeakPolarHBondContact CG-OH 3.23Å; K191-Y193 PolarHBondContact O-N 3.01Å; Y193-R195 VanDerWaalsContact C-N 3.33Å; Y193-R195 PolarHBondContact O-N 3.2Å; Y193-A196 PolarHBondContact O-N 3.13Å; Y193-L197 WeakPolarHBondContact O-CB 3.3Å; Y193-L197 VanDerWaalsContact O-CG 3.27Å; Y193-L197 WeakPolarHBondContact O-CG 3.32Å; Y193-L197 PolarHBondContact O-N 3.34Å |
| 194 | L | 98.3 | Very high | 97.6 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.8 | -53.6 | 174.8 | 173.3 | 65.9 | 0 | 0 | 0 | 110 | D64 V68 A192 A196 L197 E198 | D64-L194 HydrophobicContact CB-CB 4.4Å; D64-L194 HydrophobicContact CB-CD1 4.29Å; D64-L194 HydrophobicContact CB-CD2 4.48Å; D64-L194 WeakPolarHBondContact OD1-CD2 3.03Å; V68-L194 HydrophobicContact CG2-CD1 3.75Å; A192-L194 PolarHBondContact O-N 2.91Å; L194-A196 VanDerWaalsContact C-N 3.33Å; L194-A196 PolarHBondContact O-N 3.08Å; L194-L197 PolarHBondContact O-N 2.96Å; L194-E198 HydrophobicContact CD1-CG 4.18Å; L194-E198 HydrophobicContact CG-CG 4.44Å; L194-E198 WeakPolarHBondContact O-CG 3.32Å; L194-E198 PolarHBondContact O-N 2.72Å |
| 195 | R | 98.2 | Very high | 97.5 | Very high | 124 Ų | 124 | 54.3 Ų | 54.3 | 47% | 0.468 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | -177 | -175.4 | 57.5 | 179.7 | 163.7 | 3.9 | 112.1 | L187 A192 Y193 E198 L199 | L187-R195 HydrophobicContact CD1-CG 4.06Å; L187-R195 HydrophobicContact CD2-CG 4.38Å; A192-R195 PolarHBondContact O-N 2.97Å; Y193-R195 VanDerWaalsContact C-N 3.33Å; Y193-R195 PolarHBondContact O-N 3.2Å; R195-E198 IonicContact NH1-OE2 3.58Å; R195-E198 PolarHBondContact NH1-OE2 3.35Å; R195-L199 HydrophobicContact CG-CD1 4.39Å; R195-L199 WeakPolarHBondContact O-CG 3.35Å; R195-L199 PolarHBondContact O-N 3.04Å; R195-L199 VanDerWaalsContact O-N 3.16Å |
| 196 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L187 I188 A192 Y193 L194 L199 I200 | L187-A196 HydrophobicContact CB-CB 4.1Å; L187-A196 HydrophobicContact CD1-CB 4.37Å; I188-A196 HydrophobicContact CD1-CB 3.74Å; A192-A196 PolarHBondContact O-N 3.44Å; Y193-A196 PolarHBondContact O-N 3.13Å; L194-A196 VanDerWaalsContact C-N 3.33Å; L194-A196 PolarHBondContact O-N 3.08Å; A196-L199 PolarHBondContact O-N 3.06Å; A196-I200 WeakPolarHBondContact O-CD1 3.4Å; A196-I200 VanDerWaalsContact O-CG1 3.24Å; A196-I200 WeakPolarHBondContact O-CG1 3.39Å; A196-I200 PolarHBondContact O-N 3.01Å |
| 197 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 179.2 | -71.1 | 168.5 | 0 | 0 | 0 | 111.9 | L60 V68 V107 I151 I153 Y193 L194 L199 I200 L201 | L60-L197 HydrophobicContact CD1-CD1 4.13Å; V68-L197 HydrophobicContact CG1-CD1 4.12Å; V68-L197 HydrophobicContact CG2-CB 4.17Å; V68-L197 HydrophobicContact CG2-CD1 3.93Å; V107-L197 HydrophobicContact CG1-CD1 4.26Å; V107-L197 HydrophobicContact CG1-CD2 3.85Å; V107-L197 HydrophobicContact CG2-CD2 3.93Å; I151-L197 HydrophobicContact CG2-CD2 4.06Å; I153-L197 HydrophobicContact CD1-CD1 4.17Å; I153-L197 HydrophobicContact CD1-CD2 3.78Å; I153-L197 HydrophobicContact CD1-CG 3.84Å; Y193-L197 WeakPolarHBondContact O-CB 3.3Å; Y193-L197 VanDerWaalsContact O-CG 3.27Å; Y193-L197 WeakPolarHBondContact O-CG 3.32Å; Y193-L197 PolarHBondContact O-N 3.34Å; L194-L197 PolarHBondContact O-N 2.96Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L199 PolarHBondContact O-N 3.35Å; L197-I200 PolarHBondContact O-N 3.44Å; L197-L201 WeakPolarHBondContact O-CB 3.38Å; L197-L201 WeakPolarHBondContact O-CG 3.24Å; L197-L201 PolarHBondContact O-N 3.01Å |
| 198 | E | 98.1 | Very high | 96.9 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 15% | 0.145 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.8 | -47.1 | 174.5 | -69.6 | -169.8 | 130 | 0 | 0 | 112 | R71 L194 R195 L201 D202 | R71-E198 IonicContact CZ-OE1 2.77Å; R71-E198 IonicContact NE-OE1 3.22Å; R71-E198 PolarHBondContact NE-OE1 2.89Å; R71-E198 IonicContact NH2-OE1 2.82Å; R71-E198 PolarHBondContact NH2-OE1 3.29Å; L194-E198 HydrophobicContact CD1-CG 4.18Å; L194-E198 HydrophobicContact CG-CG 4.44Å; L194-E198 WeakPolarHBondContact O-CG 3.32Å; L194-E198 PolarHBondContact O-N 2.72Å; R195-E198 IonicContact NH1-OE2 3.58Å; R195-E198 PolarHBondContact NH1-OE2 3.35Å; E198-L201 PolarHBondContact O-N 2.54Å; E198-D202 VanDerWaalsContact O-CG 3.23Å; E198-D202 PolarHBondContact O-N 3.48Å |
| 199 | L | 97.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 179.6 | -71 | 172.5 | 0 | 0 | 0 | 112.2 | L184 L187 R195 A196 L197 L201 D202 I203 | L184-L199 HydrophobicContact CD2-CB 4.01Å; L184-L199 HydrophobicContact CD2-CD1 3.68Å; L187-L199 HydrophobicContact CD1-CD1 3.67Å; R195-L199 HydrophobicContact CG-CD1 4.39Å; R195-L199 WeakPolarHBondContact O-CG 3.35Å; R195-L199 PolarHBondContact O-N 3.04Å; R195-L199 VanDerWaalsContact O-N 3.16Å; A196-L199 PolarHBondContact O-N 3.06Å; L197-L199 VanDerWaalsContact C-N 3.34Å; L197-L199 PolarHBondContact O-N 3.35Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L199-D202 PolarHBondContact O-N 3.08Å; L199-I203 WeakPolarHBondContact O-CD1 3.37Å; L199-I203 VanDerWaalsContact O-CG1 3.23Å; L199-I203 WeakPolarHBondContact O-CG1 3.5Å; L199-I203 PolarHBondContact O-N 3.05Å |
| 200 | I | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.2 | -63.5 | 161.2 | 0 | 0 | 0 | 109.9 | I151 L160 I162 I180 L184 A196 L197 D202 I203 L204 | I151-I200 HydrophobicContact CD1-CB 4.43Å; I151-I200 HydrophobicContact CD1-CG2 3.56Å; I151-I200 HydrophobicContact CG1-CG2 4.26Å; I151-I200 HydrophobicContact CG2-CD1 4.21Å; L160-I200 HydrophobicContact CD1-CD1 3.63Å; L160-I200 HydrophobicContact CD2-CD1 3.6Å; L160-I200 HydrophobicContact CD2-CG1 4.36Å; L160-I200 HydrophobicContact CG-CD1 4.26Å; I162-I200 HydrophobicContact CD1-CG2 4.06Å; I180-I200 HydrophobicContact CG2-CG1 4.02Å; L184-I200 HydrophobicContact CD1-CD1 3.8Å; L184-I200 HydrophobicContact CD1-CG1 3.19Å; A196-I200 WeakPolarHBondContact O-CD1 3.4Å; A196-I200 VanDerWaalsContact O-CG1 3.24Å; A196-I200 WeakPolarHBondContact O-CG1 3.39Å; A196-I200 PolarHBondContact O-N 3.01Å; L197-I200 PolarHBondContact O-N 3.44Å; I200-D202 VanDerWaalsContact C-N 3.33Å; I200-D202 PolarHBondContact O-N 3.23Å; I200-I203 PolarHBondContact O-N 2.76Å; I200-L204 HydrophobicContact CG2-CD1 3.78Å; I200-L204 HydrophobicContact CG2-CG 4Å; I200-L204 WeakPolarHBondContact O-CB 3.42Å; I200-L204 VanDerWaalsContact O-CG 3.26Å; I200-L204 WeakPolarHBondContact O-CG 3.21Å; I200-L204 PolarHBondContact O-N 2.97Å |
| 201 | L | 97.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.9 | -35.4 | -178.4 | -65.3 | 175.1 | 0 | 0 | 0 | 112.2 | R71 L72 L75 T105 I151 L197 E198 L199 R205 | R71-L201 HydrophobicContact CB-CD1 3.65Å; L72-L201 HydrophobicContact CD2-CD1 4.1Å; L72-L201 HydrophobicContact CD2-CD2 3.49Å; L72-L201 VanDerWaalsContact CD2-CD2 3.49Å; L72-L201 HydrophobicContact CD2-CG 4.44Å; L72-L201 HydrophobicContact CG-CD1 4.15Å; L72-L201 HydrophobicContact CG-CD2 4.4Å; L75-L201 HydrophobicContact CD2-CD2 3.73Å; T105-L201 HydrophobicContact CG2-CD2 4.24Å; I151-L201 HydrophobicContact CD1-CD2 4.25Å; L197-L201 WeakPolarHBondContact O-CB 3.38Å; L197-L201 WeakPolarHBondContact O-CG 3.24Å; L197-L201 PolarHBondContact O-N 3.01Å; E198-L201 PolarHBondContact O-N 2.54Å; L199-L201 VanDerWaalsContact C-N 3.34Å; L201-R205 VanDerWaalsContact O-CB 3.29Å; L201-R205 WeakPolarHBondContact O-CB 3.44Å; L201-R205 PolarHBondContact O-N 3.43Å |
| 202 | D | 96.4 | Very high | 93.8 | Very high | 68 Ų | 68 | 49.8 Ų | 49.8 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 173.4 | -69.1 | -19.3 | 0 | 0 | 0 | 111.3 | R71 E198 L199 I200 N206 | R71-D202 IonicContact NH1-OD1 2.71Å; R71-D202 PolarHBondContact NH1-OD1 2.99Å; R71-D202 IonicContact NH1-OD2 3.05Å; E198-D202 VanDerWaalsContact O-CG 3.23Å; E198-D202 PolarHBondContact O-N 3.48Å; L199-D202 PolarHBondContact O-N 3.08Å; I200-D202 VanDerWaalsContact C-N 3.33Å; I200-D202 PolarHBondContact O-N 3.23Å; D202-N206 PolarHBondContact O-N 3.49Å |
| 203 | I | 95.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 53.3 Ų | 53.3 | 24% | 0.241 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -53.6 | 174.5 | -67.5 | 164.5 | 0 | 0 | 0 | 110.3 | I180 L199 I200 R205 N206 E207 | I180-I203 HydrophobicContact CD1-CG2 3.7Å; I180-I203 HydrophobicContact CG1-CD1 4.19Å; I180-I203 HydrophobicContact CG1-CG2 4.1Å; L199-I203 WeakPolarHBondContact O-CD1 3.37Å; L199-I203 VanDerWaalsContact O-CG1 3.23Å; L199-I203 WeakPolarHBondContact O-CG1 3.5Å; L199-I203 PolarHBondContact O-N 3.05Å; I200-I203 PolarHBondContact O-N 2.76Å; I203-R205 PolarHBondContact O-N 3.32Å; I203-N206 WeakPolarHBondContact O-CB 3.21Å; I203-N206 PolarHBondContact O-N 3.3Å; I203-E207 HydrophobicContact CG2-CG 4.27Å; I203-E207 WeakPolarHBondContact O-CG 3.28Å; I203-E207 PolarHBondContact O-N 2.88Å |
| 204 | L | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.8 | -36.5 | -179.4 | -68.9 | -179.7 | 0 | 0 | 0 | 112.1 | L75 T105 I151 V172 I200 N206 E207 Y208 | L75-L204 HydrophobicContact CD2-CB 4.24Å; T105-L204 HydrophobicContact CG2-CD1 3.84Å; I151-L204 HydrophobicContact CD1-CD1 4.03Å; V172-L204 HydrophobicContact CB-CD2 4.39Å; V172-L204 HydrophobicContact CG1-CD2 3.98Å; V172-L204 HydrophobicContact CG2-CD2 3.67Å; I200-L204 HydrophobicContact CG2-CD1 3.78Å; I200-L204 HydrophobicContact CG2-CG 4Å; I200-L204 WeakPolarHBondContact O-CB 3.42Å; I200-L204 VanDerWaalsContact O-CG 3.26Å; I200-L204 WeakPolarHBondContact O-CG 3.21Å; I200-L204 PolarHBondContact O-N 2.97Å; L204-N206 VanDerWaalsContact C-N 3.35Å; L204-N206 PolarHBondContact O-N 2.86Å; L204-E207 PolarHBondContact O-N 2.91Å; L204-Y208 HydrophobicContact CB-CD2 4.37Å; L204-Y208 HydrophobicContact CB-CE2 4.02Å; L204-Y208 HydrophobicContact CD2-CE1 4.47Å; L204-Y208 VanDerWaalsContact O-CB 3.26Å; L204-Y208 WeakPolarHBondContact O-CB 3.3Å; L204-Y208 WeakPolarHBondContact O-CD2 3.25Å; L204-Y208 PolarHBondContact O-N 3.08Å |
| 205 | R | 95.1 | Very high | 89.1 | Confident | 115 Ų | 115 | 64 Ų | 64 | 43% | 0.434 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 175.2 | -173.2 | 177.9 | -176.8 | 170.6 | 2.3 | 112.1 | L75 L201 I203 S209 | L75-R205 VanDerWaalsContact CD1-CA 3.46Å; L75-R205 HydrophobicContact CD1-CB 3.69Å; L75-R205 HydrophobicContact CD1-CG 4.16Å; L201-R205 VanDerWaalsContact O-CB 3.29Å; L201-R205 WeakPolarHBondContact O-CB 3.44Å; L201-R205 PolarHBondContact O-N 3.43Å; I203-R205 PolarHBondContact O-N 3.32Å; R205-S209 WeakPolarHBondContact O-CB 3.2Å; R205-S209 PolarHBondContact O-N 2.88Å; R205-S209 VanDerWaalsContact O-N 3.14Å; R205-S209 PolarHBondContact O-OG 3.49Å |
| 206 | N | 93.4 | Very high | 87.2 | Confident | 123 Ų | 123 | 61.8 Ų | 61.8 | 66% | 0.658 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.5 | -46.7 | 177.2 | -93.9 | 12.8 | 0 | 0 | 0 | 111 | D202 I203 L204 S209 G210 | D202-N206 PolarHBondContact O-N 3.49Å; I203-N206 WeakPolarHBondContact O-CB 3.21Å; I203-N206 PolarHBondContact O-N 3.3Å; L204-N206 VanDerWaalsContact C-N 3.35Å; L204-N206 PolarHBondContact O-N 2.86Å; N206-S209 PolarHBondContact O-N 3.36Å; N206-G210 PolarHBondContact O-N 2.85Å |
| 207 | E | 93 | Very high | 85.3 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | -179.6 | -61.6 | -47.4 | 151.4 | 0 | 0 | 112.2 | V172 I203 L204 S209 G210 | V172-E207 HydrophobicContact CG2-CB 3.68Å; V172-E207 HydrophobicContact CG2-CG 4.12Å; I203-E207 HydrophobicContact CG2-CG 4.27Å; I203-E207 WeakPolarHBondContact O-CG 3.28Å; I203-E207 PolarHBondContact O-N 2.88Å; L204-E207 PolarHBondContact O-N 2.91Å; E207-S209 PolarHBondContact O-N 3.28Å; E207-G210 PolarHBondContact O-N 3.45Å |
| 208 | Y | 94.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.8 | -21.3 | 179 | -66.3 | -16.6 | 0 | 0 | 0 | 114.2 | L75 T79 P80 F103 T105 A149 T168 V172 L204 | L75-Y208 HydrophobicContact CD1-CD2 3.96Å; L75-Y208 HydrophobicContact CD1-CE2 4.49Å; L75-Y208 HydrophobicContact CD2-CD2 4.46Å; L75-Y208 HydrophobicContact CD2-CE2 4.2Å; L75-Y208 HydrophobicContact CG-CD2 4.33Å; L75-Y208 HydrophobicContact CG-CE2 4.5Å; T79-Y208 HydrophobicContact CG2-CD2 4.1Å; T79-Y208 HydrophobicContact CG2-CG 4.34Å; P80-Y208 WeakPolarHBondContact CD-O 3.41Å; F103-Y208 HydrophobicContact CB-CD1 4.42Å; F103-Y208 HydrophobicContact CB-CD2 3.47Å; F103-Y208 VanDerWaalsContact CB-CD2 3.47Å; F103-Y208 HydrophobicContact CB-CE1 4.48Å; F103-Y208 HydrophobicContact CB-CE2 3.53Å; F103-Y208 HydrophobicContact CB-CG 3.95Å; F103-Y208 HydrophobicContact CD1-CD1 4.12Å; F103-Y208 HydrophobicContact CD1-CE1 4.11Å; F103-Y208 HydrophobicContact CD1-CG 4.38Å; F103-Y208 HydrophobicContact CD2-CD1 4.02Å; F103-Y208 HydrophobicContact CD2-CD2 4.01Å; F103-Y208 AromaticContact CD2-CG 3.62Å; F103-Y208 HydrophobicContact CD2-CG 3.62Å; F103-Y208 HydrophobicContact CE1-CD1 4.38Å; F103-Y208 HydrophobicContact CE2-CD1 4.27Å; F103-Y208 HydrophobicContact CE2-CG 4.17Å; F103-Y208 AromaticContact CG-CD1 3.92Å; F103-Y208 HydrophobicContact CG-CD1 3.92Å; F103-Y208 AromaticContact CG-CD2 3.8Å; F103-Y208 HydrophobicContact CG-CD2 3.8Å; F103-Y208 HydrophobicContact CG-CE1 4.19Å; F103-Y208 HydrophobicContact CG-CE2 4.08Å; F103-Y208 AromaticContact CG-CG 3.72Å; F103-Y208 HydrophobicContact CG-CG 3.72Å; F103-Y208 HydrophobicContact CZ-CD1 4.45Å; T105-Y208 WeakPolarHBondContact OG1-CE2 3.3Å; A149-Y208 WeakPolarHBondContact CB-OH 3.33Å; T168-Y208 HydrophobicContact CG2-CE1 3.63Å; T168-Y208 VanDerWaalsContact CG2-OH 3.28Å; T168-Y208 WeakPolarHBondContact CG2-OH 3.41Å; V172-Y208 HydrophobicContact CG2-CD1 4Å; V172-Y208 HydrophobicContact CG2-CE1 3.48Å; V172-Y208 VanDerWaalsContact CG2-CE1 3.48Å; L204-Y208 HydrophobicContact CB-CD2 4.37Å; L204-Y208 HydrophobicContact CB-CE2 4.02Å; L204-Y208 HydrophobicContact CD2-CE1 4.47Å; L204-Y208 VanDerWaalsContact O-CB 3.26Å; L204-Y208 WeakPolarHBondContact O-CB 3.3Å; L204-Y208 WeakPolarHBondContact O-CD2 3.25Å; L204-Y208 PolarHBondContact O-N 3.08Å |
| 209 | S | 88.3 | Confident | 82.4 | Confident | 73 Ų | 73 | 73.2 Ų | 73.2 | 51% | 0.51 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -88.8 | -9.8 | 174.6 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | R205 N206 E207 | R205-S209 WeakPolarHBondContact O-CB 3.2Å; R205-S209 PolarHBondContact O-N 2.88Å; R205-S209 VanDerWaalsContact O-N 3.14Å; R205-S209 PolarHBondContact O-OG 3.49Å; N206-S209 PolarHBondContact O-N 3.36Å; E207-S209 PolarHBondContact O-N 3.28Å |
| 210 | G | 83.9 | Confident | 81.3 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -81.3 | -172.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | N206 E207 | N206-G210 PolarHBondContact O-N 2.85Å; E207-G210 PolarHBondContact O-N 3.45Å |
| 211 | M | 75.7 | Confident | 80.3 | Confident | 176 Ų | 176 | 78.7 Ų | 78.7 | 87% | 0.867 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 138.8 | 169.6 | -68.2 | -74.7 | -69.6 | 0 | 0 | 108.8 | ||
| 212 | P | 78 | Confident | 79.5 | Confident | 52 Ų | 52 | 81.6 Ų | 81.6 | 34% | 0.338 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 146.4 | 175.1 | 27.1 | -33.2 | 0 | 0 | 0 | 110.6 | L170 Y171 E214 | L170-P212 HydrophobicContact CB-CB 4.08Å; L170-P212 CarbonylContact O-C 3.56Å; L170-P212 WeakPolarHBondContact O-CA 3.34Å; Y171-P212 HydrophobicContact CD1-CB 4.34Å; Y171-P212 HydrophobicContact CD2-CB 4.3Å; Y171-P212 HydrophobicContact CE1-CB 4Å; Y171-P212 HydrophobicContact CE1-CG 4.32Å; Y171-P212 HydrophobicContact CE2-CB 3.93Å; Y171-P212 HydrophobicContact CG-CB 4.5Å; P212-E214 PolarHBondContact O-N 3.36Å |
| 213 | E | 71.4 | Confident | 78.9 | Confident | 109 Ų | 109 | 83.4 Ų | 83.4 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 130.7 | 170.8 | -156.8 | -173.2 | -154.2 | 0 | 0 | 108.8 | L170 T173 H215 | L170-E213 PolarHBondContact O-N 3.43Å; T173-E213 HydrophobicContact CG2-CB 4.38Å; T173-E213 WeakPolarHBondContact CG2-OE2 3.46Å; E213-H215 VanDerWaalsContact C-N 3.35Å; E213-H215 PolarHBondContact O-N 2.93Å |
| 214 | E | 65.5 | Low | 78.4 | Confident | 179 Ų | 179 | 85.8 Ų | 85.8 | 84% | 0.836 | 47% | 0.474 | S | S | * | . | trans | -66.1 | 95.8 | 173.9 | -78.4 | -170.1 | 169.2 | 0 | 0 | 109.1 | P212 V216 | P212-E214 PolarHBondContact O-N 3.36Å; E214-V216 VanDerWaalsContact C-N 3.31Å; E214-V216 PolarHBondContact O-N 3.48Å | ||
| 215 | H | 58.1 | Low | 78 | Confident | 98 Ų | 98 | 89.7 Ų | 89.7 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | trans | -69.2 | 94 | 165.2 | -103.3 | 35 | 0 | 0 | 0 | 108.5 | L170 E213 D217 | L170-H215 HydrophobicContact CD2-CB 3.96Å; E213-H215 VanDerWaalsContact C-N 3.35Å; E213-H215 PolarHBondContact O-N 2.93Å; H215-D217 VanDerWaalsContact C-N 3.28Å; H215-D217 PolarHBondContact O-N 2.68Å | ||
| 216 | V | 58.5 | Low | 77.8 | Confident | 78 Ų | 78 | 87.6 Ų | 87.6 | 47% | 0.473 | 50% | 0.5 | S | S | . | . | trans | -72.3 | 94.8 | 162.2 | -165.3 | 0 | 0 | 0 | 0 | 106.2 | E214 T218 T220 L221 | E214-V216 VanDerWaalsContact C-N 3.31Å; E214-V216 PolarHBondContact O-N 3.48Å; V216-T218 PolarHBondContact O-N 2.85Å; V216-T220 HydrophobicContact CG1-CG2 4.4Å; V216-L221 HydrophobicContact CB-CD1 4.39Å; V216-L221 HydrophobicContact CG1-CD1 4.16Å; V216-L221 HydrophobicContact CG1-CD2 4.44Å; V216-L221 HydrophobicContact CG1-CG 3.77Å | ||
| 217 | D | 58 | Low | 77.7 | Confident | 103 Ų | 103 | 86.9 Ų | 86.9 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | trans | -47.1 | 132.8 | 176.8 | -79.6 | -41.6 | 0 | 0 | 0 | 109.7 | H215 G219 T220 L221 | H215-D217 VanDerWaalsContact C-N 3.28Å; H215-D217 PolarHBondContact O-N 2.68Å; D217-G219 CarbonylContact O-C 3.16Å; D217-G219 PolarHBondContact O-N 3.21Å; D217-T220 WeakPolarHBondContact O-CA 3.21Å; D217-T220 WeakPolarHBondContact O-CB 3.18Å; D217-T220 PolarHBondContact O-N 2.93Å; D217-L221 PolarHBondContact O-N 3.31Å | ||
| 218 | T | 65.7 | Low | 77.7 | Confident | 122 Ų | 122 | 86.1 Ų | 86.1 | 75% | 0.748 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -52.8 | -27.5 | 176 | -43.3 | 0 | 0 | 0 | 0 | 111.6 | V216 S222 | V216-T218 PolarHBondContact O-N 2.85Å; T218-S222 WeakPolarHBondContact O-CB 3.36Å; T218-S222 PolarHBondContact O-N 3.44Å |
| 219 | G | 70.8 | Confident | 77.8 | Confident | 47 Ų | 47 | 89.7 Ų | 89.7 | 49% | 0.485 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | D217 S222 L223 | D217-G219 CarbonylContact O-C 3.16Å; D217-G219 PolarHBondContact O-N 3.21Å; G219-S222 PolarHBondContact O-N 2.9Å; G219-S222 PolarHBondContact O-OG 3.45Å; G219-S222 VanDerWaalsContact O-OG 3.08Å; G219-L223 WeakPolarHBondContact O-CB 3.02Å; G219-L223 PolarHBondContact O-N 3.33Å |
| 220 | T | 74.1 | Confident | 78 | Confident | 65 Ų | 65 | 89 Ų | 89 | 40% | 0.399 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 174.5 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | V216 D217 S222 L223 I224 | V216-T220 HydrophobicContact CG1-CG2 4.4Å; D217-T220 WeakPolarHBondContact O-CA 3.21Å; D217-T220 WeakPolarHBondContact O-CB 3.18Å; D217-T220 PolarHBondContact O-N 2.93Å; T220-S222 PolarHBondContact O-N 3.34Å; T220-L223 PolarHBondContact O-N 2.88Å; T220-I224 HydrophobicContact CG2-CD1 3.97Å; T220-I224 WeakPolarHBondContact O-CB 3.28Å; T220-I224 VanDerWaalsContact O-CG1 3.24Å; T220-I224 WeakPolarHBondContact O-CG1 3.29Å; T220-I224 PolarHBondContact O-N 3.43Å |
| 221 | L | 77.4 | Confident | 78.5 | Confident | 88 Ų | 88 | 89.1 Ų | 89.1 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 172 | -83.9 | 162 | 0 | 0 | 0 | 111.6 | V216 D217 L223 I224 V225 | V216-L221 HydrophobicContact CB-CD1 4.39Å; V216-L221 HydrophobicContact CG1-CD1 4.16Å; V216-L221 HydrophobicContact CG1-CD2 4.44Å; V216-L221 HydrophobicContact CG1-CG 3.77Å; D217-L221 PolarHBondContact O-N 3.31Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 2.96Å; L221-I224 PolarHBondContact O-N 2.87Å; L221-V225 WeakPolarHBondContact O-CB 3.39Å; L221-V225 WeakPolarHBondContact O-CG2 2.98Å; L221-V225 PolarHBondContact O-N 3.23Å |
| 222 | S | 79.4 | Confident | 79.3 | Confident | 67 Ų | 67 | 85.4 Ų | 85.4 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -35.9 | 179 | 90.9 | 0 | 0 | 0 | 0 | 112.1 | T218 G219 T220 S226 | T218-S222 WeakPolarHBondContact O-CB 3.36Å; T218-S222 PolarHBondContact O-N 3.44Å; G219-S222 PolarHBondContact O-N 2.9Å; G219-S222 PolarHBondContact O-OG 3.45Å; G219-S222 VanDerWaalsContact O-OG 3.08Å; T220-S222 PolarHBondContact O-N 3.34Å; S222-S226 WeakPolarHBondContact O-CB 3.46Å; S222-S226 PolarHBondContact O-N 2.74Å; S222-S226 PolarHBondContact O-OG 3.14Å |
| 223 | L | 84.8 | Confident | 80.1 | Confident | 105 Ų | 105 | 87.4 Ų | 87.4 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -49.5 | 174.9 | -174.3 | 74.8 | 0 | 0 | 0 | 110.8 | G219 T220 L221 V225 S226 I227 | G219-L223 WeakPolarHBondContact O-CB 3.02Å; G219-L223 PolarHBondContact O-N 3.33Å; T220-L223 PolarHBondContact O-N 2.88Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 2.96Å; L223-V225 VanDerWaalsContact C-N 3.34Å; L223-V225 PolarHBondContact O-N 3.5Å; L223-S226 PolarHBondContact O-N 3.43Å; L223-I227 HydrophobicContact CD1-CD1 4.49Å; L223-I227 HydrophobicContact CG-CD1 4Å; L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.46Å; L223-I227 PolarHBondContact O-N 3.33Å |
| 224 | I | 84.3 | Confident | 81.1 | Confident | 97 Ų | 97 | 83.7 Ų | 83.7 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 177.9 | -68.4 | 166.2 | 0 | 0 | 0 | 110.3 | T220 L221 S226 I227 A228 | T220-I224 HydrophobicContact CG2-CD1 3.97Å; T220-I224 WeakPolarHBondContact O-CB 3.28Å; T220-I224 VanDerWaalsContact O-CG1 3.24Å; T220-I224 WeakPolarHBondContact O-CG1 3.29Å; T220-I224 PolarHBondContact O-N 3.43Å; L221-I224 PolarHBondContact O-N 2.87Å; I224-S226 VanDerWaalsContact C-N 3.35Å; I224-S226 PolarHBondContact O-N 2.83Å; I224-I227 PolarHBondContact O-N 2.88Å; I224-A228 WeakPolarHBondContact O-CB 3.36Å; I224-A228 PolarHBondContact O-N 3.01Å |
| 225 | V | 89.6 | Confident | 82.3 | Confident | 83 Ų | 83 | 81.1 Ų | 81.1 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | L221 L223 I227 A228 V229 | L221-V225 WeakPolarHBondContact O-CB 3.39Å; L221-V225 WeakPolarHBondContact O-CG2 2.98Å; L221-V225 PolarHBondContact O-N 3.23Å; L223-V225 VanDerWaalsContact C-N 3.34Å; L223-V225 PolarHBondContact O-N 3.5Å; V225-I227 PolarHBondContact O-N 2.01Å; V225-A228 PolarHBondContact O-N 3.38Å; V225-V229 HydrophobicContact CG1-CG2 4.22Å; V225-V229 WeakPolarHBondContact O-CB 3.41Å; V225-V229 VanDerWaalsContact O-CG2 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.38Å; V225-V229 PolarHBondContact O-N 3.03Å |
| 226 | S | 88.9 | Confident | 83.9 | Confident | 70 Ų | 70 | 80.4 Ų | 80.4 | 49% | 0.49 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 178.3 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | S222 L223 I224 V229 A230 | S222-S226 WeakPolarHBondContact O-CB 3.46Å; S222-S226 PolarHBondContact O-N 2.74Å; S222-S226 PolarHBondContact O-OG 3.14Å; L223-S226 PolarHBondContact O-N 3.43Å; I224-S226 VanDerWaalsContact C-N 3.35Å; I224-S226 PolarHBondContact O-N 2.83Å; S226-V229 PolarHBondContact O-N 2.89Å; S226-A230 VanDerWaalsContact O-CB 3.29Å; S226-A230 WeakPolarHBondContact O-CB 3.37Å; S226-A230 PolarHBondContact O-N 3.48Å |
| 227 | I | 92.8 | Very high | 85.3 | Confident | 109 Ų | 109 | 82.1 Ų | 82.1 | 56% | 0.559 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 175.2 | -68.2 | 166.7 | 0 | 0 | 0 | 110.3 | L223 I224 V225 A230 G231 | L223-I227 HydrophobicContact CD1-CD1 4.49Å; L223-I227 HydrophobicContact CG-CD1 4Å; L223-I227 VanDerWaalsContact O-CG1 3.28Å; L223-I227 WeakPolarHBondContact O-CG1 3.46Å; L223-I227 PolarHBondContact O-N 3.33Å; I224-I227 PolarHBondContact O-N 2.88Å; V225-I227 PolarHBondContact O-N 2.01Å; I227-A230 PolarHBondContact O-N 3.41Å; I227-G231 PolarHBondContact O-N 2.89Å |
| 228 | A | 92.1 | Very high | 86.6 | Confident | 49 Ų | 49 | 81 Ų | 81 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I224 V225 G231 I232 | I224-A228 WeakPolarHBondContact O-CB 3.36Å; I224-A228 PolarHBondContact O-N 3.01Å; V225-A228 PolarHBondContact O-N 3.38Å; A228-G231 PolarHBondContact O-N 2.76Å; A228-I232 VanDerWaalsContact O-CG1 3.28Å; A228-I232 WeakPolarHBondContact O-CG1 3.49Å; A228-I232 PolarHBondContact O-N 3.03Å |
| 229 | V | 95.6 | Very high | 87.3 | Confident | 74 Ų | 74 | 77 Ų | 77 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 177.2 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | V225 S226 G231 I232 L233 | V225-V229 HydrophobicContact CG1-CG2 4.22Å; V225-V229 WeakPolarHBondContact O-CB 3.41Å; V225-V229 VanDerWaalsContact O-CG2 3.25Å; V225-V229 WeakPolarHBondContact O-CG2 3.38Å; V225-V229 PolarHBondContact O-N 3.03Å; S226-V229 PolarHBondContact O-N 2.89Å; V229-G231 VanDerWaalsContact C-N 3.35Å; V229-G231 PolarHBondContact O-N 2.96Å; V229-I232 PolarHBondContact O-N 2.89Å; V229-L233 HydrophobicContact CG1-CD1 3.87Å; V229-L233 HydrophobicContact CG1-CG 4.39Å; V229-L233 WeakPolarHBondContact O-CB 3.35Å; V229-L233 WeakPolarHBondContact O-CG 3.47Å; V229-L233 PolarHBondContact O-N 2.87Å |
| 230 | A | 93 | Very high | 87.6 | Confident | 60 Ų | 60 | 81.8 Ų | 81.8 | 50% | 0.496 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | S226 I227 L233 G234 | S226-A230 VanDerWaalsContact O-CB 3.29Å; S226-A230 WeakPolarHBondContact O-CB 3.37Å; S226-A230 PolarHBondContact O-N 3.48Å; I227-A230 PolarHBondContact O-N 3.41Å; A230-L233 PolarHBondContact O-N 3.1Å; A230-G234 PolarHBondContact O-N 2.75Å |
| 231 | G | 94 | Very high | 87.6 | Confident | 40 Ų | 40 | 84.3 Ų | 84.3 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I227 A228 V229 G234 L235 | I227-G231 PolarHBondContact O-N 2.89Å; A228-G231 PolarHBondContact O-N 2.76Å; V229-G231 VanDerWaalsContact C-N 3.35Å; V229-G231 PolarHBondContact O-N 2.96Å; G231-G234 PolarHBondContact O-N 2.94Å; G231-L235 WeakPolarHBondContact O-CG 3.39Å; G231-L235 PolarHBondContact O-N 3.42Å |
| 232 | I | 94 | Very high | 87.1 | Confident | 98 Ų | 98 | 86.2 Ų | 86.2 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 176.8 | -67.6 | 164.9 | 0 | 0 | 0 | 110.9 | A228 V229 G234 L235 I236 | A228-I232 VanDerWaalsContact O-CG1 3.28Å; A228-I232 WeakPolarHBondContact O-CG1 3.49Å; A228-I232 PolarHBondContact O-N 3.03Å; V229-I232 PolarHBondContact O-N 2.89Å; I232-G234 VanDerWaalsContact C-N 3.32Å; I232-G234 PolarHBondContact O-N 3.49Å; I232-L235 PolarHBondContact O-N 3.27Å; I232-I236 HydrophobicContact CG2-CD1 3.8Å; I232-I236 HydrophobicContact CG2-CG1 4.42Å; I232-I236 VanDerWaalsContact O-CG1 3.3Å; I232-I236 WeakPolarHBondContact O-CG1 3.43Å; I232-I236 PolarHBondContact O-N 2.86Å |
| 233 | L | 93.5 | Very high | 86.5 | Confident | 94 Ų | 94 | 87 Ų | 87 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.2 | -75.1 | 170.1 | 0 | 0 | 0 | 111.6 | V229 A230 L235 I236 I237 | V229-L233 HydrophobicContact CG1-CD1 3.87Å; V229-L233 HydrophobicContact CG1-CG 4.39Å; V229-L233 WeakPolarHBondContact O-CB 3.35Å; V229-L233 WeakPolarHBondContact O-CG 3.47Å; V229-L233 PolarHBondContact O-N 2.87Å; A230-L233 PolarHBondContact O-N 3.1Å; L233-L235 PolarHBondContact O-N 2.88Å; L233-I236 PolarHBondContact O-N 2.92Å; L233-I237 WeakPolarHBondContact O-CB 3.37Å; L233-I237 WeakPolarHBondContact O-CD1 3.45Å; L233-I237 WeakPolarHBondContact O-CG1 3.21Å; L233-I237 PolarHBondContact O-N 3.24Å |
| 234 | G | 92.4 | Very high | 85.9 | Confident | 32 Ų | 32 | 88.2 Ų | 88.2 | 33% | 0.33 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | A230 G231 I232 I237 T238 | A230-G234 PolarHBondContact O-N 2.75Å; G231-G234 PolarHBondContact O-N 2.94Å; I232-G234 VanDerWaalsContact C-N 3.32Å; I232-G234 PolarHBondContact O-N 3.49Å; G234-I237 PolarHBondContact O-N 3.46Å; G234-T238 WeakPolarHBondContact O-CB 3.45Å; G234-T238 WeakPolarHBondContact O-CG2 3.48Å; G234-T238 PolarHBondContact O-N 3.05Å; G234-T238 PolarHBondContact O-OG1 2.98Å |
| 235 | L | 91 | Very high | 84.9 | Confident | 125 Ų | 125 | 89.1 Ų | 89.1 | 65% | 0.654 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 174.9 | -70.6 | 172.3 | 0 | 0 | 0 | 112.3 | G231 I232 L233 T238 G239 | G231-L235 WeakPolarHBondContact O-CG 3.39Å; G231-L235 PolarHBondContact O-N 3.42Å; I232-L235 PolarHBondContact O-N 3.27Å; L233-L235 PolarHBondContact O-N 2.88Å; L235-T238 WeakPolarHBondContact CA-OG1 3.5Å; L235-T238 PolarHBondContact O-OG1 3.37Å; L235-T238 VanDerWaalsContact O-OG1 3.1Å; L235-G239 PolarHBondContact O-N 3.18Å |
| 236 | I | 91 | Very high | 83.9 | Confident | 82 Ų | 82 | 91.7 Ų | 91.7 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 176.9 | -67.5 | 166.8 | 0 | 0 | 0 | 110.8 | I232 L233 K240 | I232-I236 HydrophobicContact CG2-CD1 3.8Å; I232-I236 HydrophobicContact CG2-CG1 4.42Å; I232-I236 VanDerWaalsContact O-CG1 3.3Å; I232-I236 WeakPolarHBondContact O-CG1 3.43Å; I232-I236 PolarHBondContact O-N 2.86Å; L233-I236 PolarHBondContact O-N 2.92Å; I236-K240 HydrophobicContact CG2-CD 4.25Å; I236-K240 WeakPolarHBondContact O-CB 3.48Å; I236-K240 WeakPolarHBondContact O-CG 3.46Å; I236-K240 PolarHBondContact O-N 3.26Å |
| 237 | I | 89.3 | Confident | 82.7 | Confident | 115 Ų | 115 | 92.6 Ų | 92.6 | 59% | 0.59 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -46.8 | -179.9 | -68.1 | 164.7 | 0 | 0 | 0 | 110.4 | L233 G234 K240 H241 | L233-I237 WeakPolarHBondContact O-CB 3.37Å; L233-I237 WeakPolarHBondContact O-CD1 3.45Å; L233-I237 WeakPolarHBondContact O-CG1 3.21Å; L233-I237 PolarHBondContact O-N 3.24Å; G234-I237 PolarHBondContact O-N 3.46Å; I237-K240 PolarHBondContact O-N 2.93Å; I237-H241 WeakPolarHBondContact O-CB 3.42Å; I237-H241 PolarHBondContact O-N 2.74Å |
| 238 | T | 85.1 | Confident | 81.5 | Confident | 80 Ų | 80 | 95.3 Ų | 95.3 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 178 | 49.4 | 0 | 0 | 0 | 0 | 112 | G234 L235 H241 M242 | G234-T238 WeakPolarHBondContact O-CB 3.45Å; G234-T238 WeakPolarHBondContact O-CG2 3.48Å; G234-T238 PolarHBondContact O-N 3.05Å; G234-T238 PolarHBondContact O-OG1 2.98Å; L235-T238 WeakPolarHBondContact CA-OG1 3.5Å; L235-T238 PolarHBondContact O-OG1 3.37Å; L235-T238 VanDerWaalsContact O-OG1 3.1Å; T238-H241 PolarHBondContact O-N 3.19Å; T238-M242 WeakPolarHBondContact O-CG 3.31Å; T238-M242 PolarHBondContact O-N 3.12Å |
| 239 | G | 81.1 | Confident | 80.5 | Confident | 37 Ų | 37 | 99.5 Ų | 99.5 | 38% | 0.381 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L235 H241 M242 T243 | L235-G239 PolarHBondContact O-N 3.18Å; G239-H241 VanDerWaalsContact C-N 3.33Å; G239-H241 PolarHBondContact O-N 3.49Å; G239-M242 PolarHBondContact O-N 3.17Å; G239-T243 PolarHBondContact O-N 2.71Å; G239-T243 PolarHBondContact O-OG1 3.22Å |
| 240 | K | 77.2 | Confident | 79.5 | Confident | 148 Ų | 148 | 99.8 Ų | 99.8 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.7 | -32.8 | 173.3 | -78 | -175.3 | 177.6 | -177.3 | 0 | 112.7 | I236 I237 T243 K244 | I236-K240 HydrophobicContact CG2-CD 4.25Å; I236-K240 WeakPolarHBondContact O-CB 3.48Å; I236-K240 WeakPolarHBondContact O-CG 3.46Å; I236-K240 PolarHBondContact O-N 3.26Å; I237-K240 PolarHBondContact O-N 2.93Å; K240-T243 WeakPolarHBondContact CA-OG1 3.38Å; K240-T243 PolarHBondContact O-OG1 3.38Å; K240-K244 WeakPolarHBondContact O-CB 3.46Å; K240-K244 PolarHBondContact O-N 3.36Å |
| 241 | H | 73.7 | Confident | 78.5 | Confident | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.546 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.1 | -41.8 | 177.3 | -161.7 | -85.9 | 0 | 0 | 0 | 111.6 | I237 T238 G239 K244 Q245 | I237-H241 WeakPolarHBondContact O-CB 3.42Å; I237-H241 PolarHBondContact O-N 2.74Å; T238-H241 PolarHBondContact O-N 3.19Å; G239-H241 VanDerWaalsContact C-N 3.33Å; G239-H241 PolarHBondContact O-N 3.49Å; H241-K244 PolarHBondContact O-N 3.35Å; H241-Q245 PolarHBondContact O-N 3.35Å; H241-Q245 VanDerWaalsContact O-N 3.08Å |
| 242 | M | 66.5 | Low | 77.5 | Confident | 128 Ų | 128 | 102.9 Ų | 102.9 | 63% | 0.631 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -48 | 177 | -72.4 | -67.6 | 169.7 | 0 | 0 | 112 | T238 G239 K244 Q245 E246 | T238-M242 WeakPolarHBondContact O-CG 3.31Å; T238-M242 PolarHBondContact O-N 3.12Å; G239-M242 PolarHBondContact O-N 3.17Å; M242-K244 VanDerWaalsContact C-N 3.34Å; M242-K244 PolarHBondContact O-N 3.24Å; M242-Q245 PolarHBondContact O-N 3.08Å; M242-E246 PolarHBondContact O-N 3.01Å; M242-E246 VanDerWaalsContact O-N 3.08Å |
| 243 | T | 66.4 | Low | 76.5 | Confident | 82 Ų | 82 | 101.5 Ų | 101.5 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 178.1 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | G239 K240 T247 | G239-T243 PolarHBondContact O-N 2.71Å; G239-T243 PolarHBondContact O-OG1 3.22Å; K240-T243 WeakPolarHBondContact CA-OG1 3.38Å; K240-T243 PolarHBondContact O-OG1 3.38Å; T243-T247 PolarHBondContact O-N 3Å; T243-T247 VanDerWaalsContact O-N 3.12Å; T243-T247 PolarHBondContact O-OG1 3.08Å |
| 244 | K | 72.5 | Confident | 75.5 | Confident | 131 Ų | 131 | 102.5 Ų | 102.5 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.2 | -36.7 | 175.8 | -170 | 174 | -176.2 | 176.9 | 0 | 112.5 | K240 H241 M242 R248 | K240-K244 WeakPolarHBondContact O-CB 3.46Å; K240-K244 PolarHBondContact O-N 3.36Å; H241-K244 PolarHBondContact O-N 3.35Å; M242-K244 VanDerWaalsContact C-N 3.34Å; M242-K244 PolarHBondContact O-N 3.24Å; K244-R248 PolarHBondContact O-N 2.89Å |
| 245 | Q | 63.4 | Low | 74.7 | Confident | 117 Ų | 117 | 103.7 Ų | 103.7 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.3 | -40.9 | -179.6 | -161.3 | 170.4 | -7.2 | 0 | 0 | 111.5 | H241 M242 R248 H249 | H241-Q245 PolarHBondContact O-N 3.35Å; H241-Q245 VanDerWaalsContact O-N 3.08Å; M242-Q245 PolarHBondContact O-N 3.08Å; Q245-R248 PolarHBondContact O-N 3.47Å; Q245-H249 PolarHBondContact O-N 3.06Å; Q245-H249 VanDerWaalsContact O-N 3.13Å |
| 246 | E | 67.8 | Low | 74 | Confident | 137 Ų | 137 | 106.1 Ų | 106.1 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.2 | -42.6 | 175.9 | -165.6 | 163.7 | -161.3 | 0 | 0 | 111.9 | M242 R248 H249 V250 | M242-E246 PolarHBondContact O-N 3.01Å; M242-E246 VanDerWaalsContact O-N 3.08Å; E246-R248 VanDerWaalsContact C-N 3.33Å; E246-R248 PolarHBondContact O-N 3.36Å; E246-H249 PolarHBondContact O-N 3.22Å; E246-H249 VanDerWaalsContact O-N 3.08Å; E246-V250 WeakPolarHBondContact O-CG2 3.44Å; E246-V250 PolarHBondContact O-N 3.47Å |
| 247 | T | 63.8 | Low | 73.3 | Confident | 89 Ų | 89 | 106.1 Ų | 106.1 | 55% | 0.546 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 176.6 | -48.1 | 0 | 0 | 0 | 0 | 112.1 | T243 H249 T251 | T243-T247 PolarHBondContact O-N 3Å; T243-T247 VanDerWaalsContact O-N 3.12Å; T243-T247 PolarHBondContact O-OG1 3.08Å; T247-H249 VanDerWaalsContact C-N 3.35Å; T247-T251 WeakPolarHBondContact O-CB 3.02Å; T247-T251 PolarHBondContact O-N 2.87Å; T247-T251 PolarHBondContact O-OG1 3.36Å |
| 248 | R | 69 | Low | 72.7 | Confident | 166 Ų | 166 | 110.4 Ų | 110.4 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 174.3 | -80.9 | -172.8 | -178.1 | -174.8 | 0.8 | 111.6 | K244 Q245 E246 T251 I252 | K244-R248 PolarHBondContact O-N 2.89Å; Q245-R248 PolarHBondContact O-N 3.47Å; E246-R248 VanDerWaalsContact C-N 3.33Å; E246-R248 PolarHBondContact O-N 3.36Å; R248-T251 PolarHBondContact O-N 2.01Å; R248-I252 VanDerWaalsContact O-CG1 3.27Å; R248-I252 WeakPolarHBondContact O-CG1 3.34Å; R248-I252 PolarHBondContact O-N 3.48Å |
| 249 | H | 71.2 | Confident | 72.2 | Confident | 136 Ų | 136 | 112 Ų | 112 | 63% | 0.63 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.3 | -42.7 | -178.6 | -144.5 | -79.6 | 0 | 0 | 0 | 111.9 | Q245 E246 T247 I252 T253 | Q245-H249 PolarHBondContact O-N 3.06Å; Q245-H249 VanDerWaalsContact O-N 3.13Å; E246-H249 PolarHBondContact O-N 3.22Å; E246-H249 VanDerWaalsContact O-N 3.08Å; T247-H249 VanDerWaalsContact C-N 3.35Å; H249-I252 PolarHBondContact O-N 2.71Å; H249-T253 WeakPolarHBondContact O-CB 3.41Å; H249-T253 PolarHBondContact O-N 3.45Å; H249-T253 PolarHBondContact O-OG1 2.63Å |
| 250 | V | 74.3 | Confident | 71.9 | Confident | 80 Ų | 80 | 119.6 Ų | 119.6 | 49% | 0.485 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -43.6 | 174.7 | 175.2 | 0 | 0 | 0 | 0 | 111 | E246 I252 T253 L254 | E246-V250 WeakPolarHBondContact O-CG2 3.44Å; E246-V250 PolarHBondContact O-N 3.47Å; V250-I252 PolarHBondContact O-N 3.2Å; V250-T253 PolarHBondContact O-N 3.06Å; V250-L254 HydrophobicContact CG1-CD1 3.77Å; V250-L254 HydrophobicContact CG1-CG 4.36Å; V250-L254 WeakPolarHBondContact O-CB 3.46Å; V250-L254 WeakPolarHBondContact O-CG 3.27Å; V250-L254 PolarHBondContact O-N 3.26Å |
| 251 | T | 71.4 | Confident | 71.8 | Confident | 78 Ų | 78 | 116.8 Ų | 116.8 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.4 | -44.8 | 179.3 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | T247 R248 T253 L254 S255 | T247-T251 WeakPolarHBondContact O-CB 3.02Å; T247-T251 PolarHBondContact O-N 2.87Å; T247-T251 PolarHBondContact O-OG1 3.36Å; R248-T251 PolarHBondContact O-N 2.01Å; T251-T253 VanDerWaalsContact C-N 3.31Å; T251-T253 PolarHBondContact O-N 3.01Å; T251-L254 PolarHBondContact O-N 2.94Å; T251-S255 WeakPolarHBondContact O-CB 2.93Å; T251-S255 PolarHBondContact O-N 3.08Å; T251-S255 PolarHBondContact O-OG 3.13Å |
| 252 | I | 73.7 | Confident | 71.8 | Confident | 87 Ų | 87 | 114.4 Ų | 114.4 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.7 | -39.6 | 176.9 | -68.1 | 166.3 | 0 | 0 | 0 | 110.8 | R248 H249 V250 S255 R256 | R248-I252 VanDerWaalsContact O-CG1 3.27Å; R248-I252 WeakPolarHBondContact O-CG1 3.34Å; R248-I252 PolarHBondContact O-N 3.48Å; H249-I252 PolarHBondContact O-N 2.71Å; V250-I252 PolarHBondContact O-N 3.2Å; I252-S255 WeakPolarHBondContact O-CB 3.41Å; I252-S255 PolarHBondContact O-N 3.07Å; I252-R256 WeakPolarHBondContact O-CG 3.38Å; I252-R256 PolarHBondContact O-N 3.39Å |
| 253 | T | 72.2 | Confident | 72 | Confident | 70 Ų | 70 | 114.8 Ų | 114.8 | 43% | 0.429 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.4 | -46.3 | 179.9 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | H249 V250 T251 S255 R256 V257 | H249-T253 WeakPolarHBondContact O-CB 3.41Å; H249-T253 PolarHBondContact O-N 3.45Å; H249-T253 PolarHBondContact O-OG1 2.63Å; V250-T253 PolarHBondContact O-N 3.06Å; T251-T253 VanDerWaalsContact C-N 3.31Å; T251-T253 PolarHBondContact O-N 3.01Å; T253-S255 VanDerWaalsContact C-N 3.31Å; T253-S255 PolarHBondContact O-N 3.48Å; T253-R256 PolarHBondContact O-N 2.96Å; T253-V257 WeakPolarHBondContact O-CG2 3.43Å; T253-V257 PolarHBondContact O-N 3.45Å |
| 254 | L | 73 | Confident | 72.3 | Confident | 114 Ų | 114 | 117.1 Ų | 117.1 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.4 | -38.4 | 174.4 | -76.9 | 167.3 | 0 | 0 | 0 | 112.1 | V250 T251 R256 V257 R258 | V250-L254 HydrophobicContact CG1-CD1 3.77Å; V250-L254 HydrophobicContact CG1-CG 4.36Å; V250-L254 WeakPolarHBondContact O-CB 3.46Å; V250-L254 WeakPolarHBondContact O-CG 3.27Å; V250-L254 PolarHBondContact O-N 3.26Å; T251-L254 PolarHBondContact O-N 2.94Å; L254-R256 VanDerWaalsContact C-N 3.35Å; L254-R256 PolarHBondContact O-N 3.01Å; L254-V257 PolarHBondContact O-N 3.2Å; L254-R258 WeakPolarHBondContact O-CB 3.41Å; L254-R258 PolarHBondContact O-N 3.4Å |
| 255 | S | 76.3 | Confident | 72.2 | Confident | 57 Ų | 57 | 120.6 Ų | 120.6 | 40% | 0.399 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.8 | -44.6 | 175.2 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | T251 I252 T253 R258 M259 | T251-S255 WeakPolarHBondContact O-CB 2.93Å; T251-S255 PolarHBondContact O-N 3.08Å; T251-S255 PolarHBondContact O-OG 3.13Å; I252-S255 WeakPolarHBondContact O-CB 3.41Å; I252-S255 PolarHBondContact O-N 3.07Å; T253-S255 VanDerWaalsContact C-N 3.31Å; T253-S255 PolarHBondContact O-N 3.48Å; S255-R258 PolarHBondContact O-N 3.02Å; S255-M259 PolarHBondContact O-N 3.19Å |
| 256 | R | 74.7 | Confident | 72.4 | Confident | 176 Ų | 176 | 123.5 Ų | 123.5 | 66% | 0.664 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.7 | -40.9 | 178 | -74.8 | 179.8 | 178.4 | 174 | 0.1 | 112.2 | I252 T253 L254 M259 R260 | I252-R256 WeakPolarHBondContact O-CG 3.38Å; I252-R256 PolarHBondContact O-N 3.39Å; T253-R256 PolarHBondContact O-N 2.96Å; L254-R256 VanDerWaalsContact C-N 3.35Å; L254-R256 PolarHBondContact O-N 3.01Å; R256-M259 PolarHBondContact O-N 3.11Å; R256-R260 PolarHBondContact O-N 3.48Å; R256-R260 VanDerWaalsContact O-N 3.11Å |
| 257 | V | 76.4 | Confident | 72.1 | Confident | 83 Ų | 83 | 121.9 Ų | 121.9 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.6 | -46.1 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | T253 L254 M259 R260 V261 | T253-V257 WeakPolarHBondContact O-CG2 3.43Å; T253-V257 PolarHBondContact O-N 3.45Å; L254-V257 PolarHBondContact O-N 3.2Å; V257-M259 VanDerWaalsContact C-N 3.34Å; V257-M259 PolarHBondContact O-N 3.39Å; V257-R260 PolarHBondContact O-N 3.03Å; V257-V261 HydrophobicContact CG1-CG2 4.5Å; V257-V261 WeakPolarHBondContact O-CG2 3.48Å; V257-V261 PolarHBondContact O-N 3.14Å |
| 258 | R | 78 | Confident | 71.8 | Confident | 204 Ų | 204 | 122.5 Ų | 122.5 | 77% | 0.77 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.8 | -40.4 | 177.8 | -170.6 | 174.7 | -177.5 | 159.5 | 0.8 | 112.4 | L254 S255 V261 S262 | L254-R258 WeakPolarHBondContact O-CB 3.41Å; L254-R258 PolarHBondContact O-N 3.4Å; S255-R258 PolarHBondContact O-N 3.02Å; R258-V261 PolarHBondContact O-N 3.44Å; R258-S262 PolarHBondContact O-N 3.45Å |
| 259 | M | 74.1 | Confident | 71.1 | Confident | 113 Ų | 113 | 122.5 Ų | 122.5 | 56% | 0.557 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.3 | -46.3 | 174.4 | -108 | -174.2 | -81.4 | 0 | 0 | 112 | S255 R256 V257 V261 S262 M263 | S255-M259 PolarHBondContact O-N 3.19Å; R256-M259 PolarHBondContact O-N 3.11Å; V257-M259 VanDerWaalsContact C-N 3.34Å; V257-M259 PolarHBondContact O-N 3.39Å; M259-V261 PolarHBondContact O-N 3.28Å; M259-S262 PolarHBondContact O-N 3.49Å; M259-S262 PolarHBondContact O-OG 3.09Å; M259-M263 PolarHBondContact O-N 2.72Å; M259-M263 VanDerWaalsContact O-N 3.09Å |
| 260 | R | 74.4 | Confident | 71.1 | Confident | 197 Ų | 197 | 121.9 Ų | 121.9 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61 | -43.1 | 177.6 | -79.2 | -176 | 176.1 | 175.3 | -1.5 | 112.6 | R256 V257 S262 M263 L264 | R256-R260 PolarHBondContact O-N 3.48Å; R256-R260 VanDerWaalsContact O-N 3.11Å; V257-R260 PolarHBondContact O-N 3.03Å; R260-S262 VanDerWaalsContact C-N 3.31Å; R260-S262 PolarHBondContact O-N 3.05Å; R260-M263 PolarHBondContact O-N 3.49Å; R260-L264 PolarHBondContact O-N 3.19Å; R260-L264 VanDerWaalsContact O-N 3.14Å |
| 261 | V | 74.8 | Confident | 70.9 | Confident | 90 Ų | 90 | 124.1 Ų | 124.1 | 55% | 0.545 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63 | -38.8 | 177 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | V257 R258 M259 M263 L264 R265 | V257-V261 HydrophobicContact CG1-CG2 4.5Å; V257-V261 WeakPolarHBondContact O-CG2 3.48Å; V257-V261 PolarHBondContact O-N 3.14Å; R258-V261 PolarHBondContact O-N 3.44Å; M259-V261 PolarHBondContact O-N 3.28Å; V261-M263 PolarHBondContact O-N 3.22Å; V261-L264 PolarHBondContact O-N 3.21Å; V261-R265 PolarHBondContact O-N 3.43Å |
| 262 | S | 73.6 | Confident | 70.9 | Confident | 67 Ų | 67 | 126.6 Ų | 126.6 | 47% | 0.469 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.7 | -32.7 | 177.4 | 73 | 0 | 0 | 0 | 0 | 113.9 | R258 M259 R260 K266 | R258-S262 PolarHBondContact O-N 3.45Å; M259-S262 PolarHBondContact O-N 3.49Å; M259-S262 PolarHBondContact O-OG 3.09Å; R260-S262 VanDerWaalsContact C-N 3.31Å; R260-S262 PolarHBondContact O-N 3.05Å; S262-K266 PolarHBondContact O-N 3.42Å |
| 263 | M | 71.9 | Confident | 70.7 | Confident | 136 Ų | 136 | 128.9 Ų | 128.9 | 67% | 0.67 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70 | -42.7 | 174.7 | -73.6 | -162.9 | -170.7 | 0 | 0 | 111.8 | M259 R260 V261 R265 K266 S267 | M259-M263 PolarHBondContact O-N 2.72Å; M259-M263 VanDerWaalsContact O-N 3.09Å; R260-M263 PolarHBondContact O-N 3.49Å; V261-M263 PolarHBondContact O-N 3.22Å; M263-R265 VanDerWaalsContact C-N 3.27Å; M263-R265 PolarHBondContact O-N 3.35Å; M263-K266 PolarHBondContact O-N 3.17Å; M263-S267 PolarHBondContact O-N 3.43Å |
| 264 | L | 71.5 | Confident | 70.6 | Confident | 131 Ų | 131 | 132.6 Ų | 132.6 | 69% | 0.686 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -61.8 | -36.7 | 177.9 | -71.6 | 170.2 | 0 | 0 | 0 | 111.9 | R260 V261 K266 S267 | R260-L264 PolarHBondContact O-N 3.19Å; R260-L264 VanDerWaalsContact O-N 3.14Å; V261-L264 PolarHBondContact O-N 3.21Å; L264-K266 VanDerWaalsContact C-N 3.31Å; L264-K266 PolarHBondContact O-N 3.38Å; L264-S267 PolarHBondContact O-N 3.16Å |
| 265 | R | 70.4 | Confident | 70.5 | Confident | 205 Ų | 205 | 133.9 Ų | 133.9 | 77% | 0.774 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -68.9 | -26.5 | 178.1 | -153.4 | 174.4 | -169.4 | 171.4 | 2.9 | 113.7 | V261 M263 | V261-R265 PolarHBondContact O-N 3.43Å; M263-R265 VanDerWaalsContact C-N 3.27Å; M263-R265 PolarHBondContact O-N 3.35Å |
| 266 | K | 67.4 | Low | 70.1 | Confident | 178 Ų | 178 | 139.4 Ų | 139.4 | 77% | 0.774 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -77.6 | -20.4 | 173.7 | -82.7 | -174.6 | 176.4 | -176.2 | 0 | 113.4 | S262 M263 L264 S268 | S262-K266 PolarHBondContact O-N 3.42Å; M263-K266 PolarHBondContact O-N 3.17Å; L264-K266 VanDerWaalsContact C-N 3.31Å; L264-K266 PolarHBondContact O-N 3.38Å; K266-S268 VanDerWaalsContact C-N 3.35Å |
| 267 | S | 61.5 | Low | 69.7 | Low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -9 | -179.6 | -170.5 | 0 | 0 | 0 | 0 | 113.6 | M263 L264 | M263-S267 PolarHBondContact O-N 3.43Å; L264-S267 PolarHBondContact O-N 3.16Å |
| 268 | S | 59.1 | Low | 69.2 | Low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 13.8 | 179.1 | 92.5 | 0 | 0 | 0 | 0 | 113.8 | K266 | K266-S268 VanDerWaalsContact C-N 3.35Š|
| 269 | S | 53.3 | Low | 68.4 | Low | 167 Ų | 167 | 135.3 Ų | 135.3 | 100% | 1.168 | 71% | 0.71 | S | S | * | * | trans | -114.9 | 0 | 165.2 | -72.8 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 269 of 269 residues in 192.6 ms
(Link to these results)