| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.8 | Very low | 40 | Very low | 245 Ų | 245 | 151.5 Ų | 151.5 | 100% | 1.207 | 79% | 0.794 | S | S | * | * | 0 | 114.7 | 0 | -78.5 | -177.8 | -75.2 | 0 | 0 | 106.3 | |||||
| 2 | A | 39.6 | Very low | 40.2 | Very low | 66 Ų | 66 | 152 Ų | 152 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | trans | -70.5 | 135.7 | -152.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D4 | A2-D4 HydrophobicContact CB-CB 4.06Å; A2-D4 PolarHBondContact O-N 3.08Å | ||
| 3 | L | 43 | Very low | 40.8 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -71.7 | -3.7 | 161.3 | -81.1 | 151.5 | 0 | 0 | 0 | 111.8 | K5 | L3-K5 PolarHBondContact O-N 3.49Å; L3-K5 VanDerWaalsContact O-N 3.16Å |
| 4 | D | 42.1 | Very low | 41.7 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 14.8 | -178.2 | -50.6 | -32.9 | 0 | 0 | 0 | 114.2 | A2 | A2-D4 HydrophobicContact CB-CB 4.06Å; A2-D4 PolarHBondContact O-N 3.08Å |
| 5 | K | 40.5 | Very low | 43 | Very low | 189 Ų | 189 | 143.1 Ų | 143.1 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 12.6 | 177.7 | -80.6 | -166.7 | 175.5 | -171.8 | 0 | 114 | L3 | L3-K5 PolarHBondContact O-N 3.49Å; L3-K5 VanDerWaalsContact O-N 3.16Å |
| 6 | M | 38.6 | Very low | 45.2 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -110.2 | 6 | 178.6 | -72.4 | -174.3 | 67.7 | 0 | 0 | 114.4 | ||
| 7 | E | 38.3 | Very low | 47.7 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -89.6 | -3.4 | 177.5 | -79.9 | -172.6 | 153.9 | 0 | 0 | 114.7 | ||
| 8 | D | 37.8 | Very low | 50.1 | Low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -112.3 | 25.6 | -174.6 | -150.9 | 15.8 | 0 | 0 | 0 | 114.2 | ||
| 9 | L | 37.3 | Very low | 52.4 | Low | 141 Ų | 141 | 131.5 Ų | 131.5 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | trans | -115.9 | 32.5 | 169.8 | -74.9 | 170.6 | 0 | 0 | 0 | 111.6 | L11 | L9-L11 PolarHBondContact O-N 3.16Š| ||
| 10 | S | 38.2 | Very low | 54.6 | Low | 94 Ų | 94 | 128.1 Ų | 128.1 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | trans | -70.3 | 81.1 | 150.1 | 73.7 | 0 | 0 | 0 | 0 | 107 | Q12 | S10-Q12 PolarHBondContact O-N 2.85Š| ||
| 11 | L | 42 | Very low | 56.6 | Low | 145 Ų | 145 | 126.1 Ų | 126.1 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | trans | -58.4 | 81.6 | 148.7 | -78.8 | 157.3 | 0 | 0 | 0 | 105.2 | L9 E13 | L9-L11 PolarHBondContact O-N 3.16Å; L11-E13 PolarHBondContact O-N 3.2Å | ||
| 12 | Q | 42.9 | Very low | 59.2 | Low | 157 Ų | 157 | 120.1 Ų | 120.1 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | trans | -57.5 | 95.8 | 147.5 | -80 | -174.7 | -15.9 | 0 | 0 | 102.8 | S10 T14 | S10-Q12 PolarHBondContact O-N 2.85Å; Q12-T14 PolarHBondContact O-N 3.31Å; Q12-T14 PolarHBondContact O-OG1 3.48Å | ||
| 13 | E | 47.3 | Very low | 62 | Low | 150 Ų | 150 | 117.7 Ų | 117.7 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | trans | -50 | 99.6 | 166.7 | -79.7 | -174 | 150.8 | 0 | 0 | 105.2 | L11 V15 | L11-E13 PolarHBondContact O-N 3.2Å; E13-V15 VanDerWaalsContact C-N 3.28Å; E13-V15 PolarHBondContact O-N 3.1Å | ||
| 14 | T | 53.3 | Low | 64.6 | Low | 121 Ų | 121 | 118.4 Ų | 118.4 | 74% | 0.742 | 61% | 0.609 | S | S | * | * | trans | -74 | 98.4 | -175.4 | -19.6 | 0 | 0 | 0 | 0 | 102.6 | Q12 T16 | Q12-T14 PolarHBondContact O-N 3.31Å; Q12-T14 PolarHBondContact O-OG1 3.48Å; T14-T16 PolarHBondContact O-N 2.68Å | ||
| 15 | V | 61.8 | Low | 67.2 | Low | 52 Ų | 52 | 114.5 Ų | 114.5 | 32% | 0.315 | 60% | 0.602 | S | S | . | * | trans | -55.4 | 108.4 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 106.2 | E13 N159 I160 I259 | E13-V15 VanDerWaalsContact C-N 3.28Å; E13-V15 PolarHBondContact O-N 3.1Å; V15-N159 HydrophobicContact CB-CB 4.13Å; V15-N159 HydrophobicContact CG1-CB 4.01Å; V15-I160 HydrophobicContact CG1-CG2 3.5Å; V15-I259 HydrophobicContact CG2-CG1 4.38Å | ||
| 16 | T | 77 | Confident | 69.9 | Low | 120 Ų | 120 | 106 Ų | 106 | 74% | 0.736 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 138 | -179.4 | 45.2 | 0 | 0 | 0 | 0 | 108.7 | T14 A18 | T14-T16 PolarHBondContact O-N 2.68Å; T16-A18 PolarHBondContact O-N 3.37Å |
| 17 | R | 89.2 | Confident | 72.8 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 30% | 0.302 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 138 | 174.6 | -66.2 | -76.6 | -178.9 | 179 | -3.9 | 109.5 | E19 H155 R156 N158 N159 M161 D163 | R17-E19 PolarHBondContact O-N 3.43Å; R17-H155 PolarHBondContact NH1-O 2.88Å; R17-R156 PolarHBondContact NH2-O 2.92Å; R17-N158 PolarHBondContact NH1-O 3.04Å; R17-N159 WeakPolarHBondContact CA-O 3.48Å; R17-N159 PolarHBondContact NH2-OD1 3.38Å; R17-M161 WeakPolarHBondContact CD-O 3.5Å; R17-D163 HydrophobicContact CG-CB 4.42Å |
| 18 | A | 90.5 | Very high | 75.6 | Confident | 26 Ų | 26 | 90.6 Ų | 90.6 | 22% | 0.215 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 133.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T16 T29 I160 M161 P162 | T16-A18 PolarHBondContact O-N 3.37Å; A18-T29 HydrophobicContact CB-CG2 3.93Å; A18-I160 WeakPolarHBondContact CB-O 3.22Å; A18-M161 PolarHBondContact N-O 2.96Å; A18-P162 WeakPolarHBondContact O-CA 3.43Å |
| 19 | E | 93.4 | Very high | 78.3 | Confident | 126 Ų | 126 | 83.8 Ų | 83.8 | 59% | 0.589 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -75 | 154.6 | 164.4 | -65.2 | -175.7 | 176.1 | 0 | 0 | 110.7 | R17 T29 K30 | R17-E19 PolarHBondContact O-N 3.43Å; E19-T29 WeakPolarHBondContact O-CA 3.32Å; E19-K30 HydrophobicContact CB-CD 3.79Å; E19-K30 HydrophobicContact CB-CG 4.13Å; E19-K30 PolarHBondContact O-N 3.19Å; E19-K30 WeakPolarHBondContact OE2-CD 3.24Å; E19-K30 WeakPolarHBondContact OE2-CE 3.27Å; E19-K30 IonicContact OE2-NZ 2.66Å; E19-K30 PolarHBondContact OE2-NZ 3.1Å |
| 20 | T | 96.1 | Very high | 81 | Confident | 62 Ų | 62 | 81.7 Ų | 81.7 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 154.8 | -177.1 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | T27 L28 P162 L180 | T20-T27 HydrophobicContact CG2-CG2 4.01Å; T20-L28 CarbonylContact C-O 3.57Å; T20-L28 WeakPolarHBondContact CA-O 3.43Å; T20-L28 WeakPolarHBondContact CB-O 3.49Å; T20-P162 HydrophobicContact CG2-CB 4.21Å; T20-P162 HydrophobicContact CG2-CG 3.37Å; T20-L180 HydrophobicContact CG2-CD2 3.69Å |
| 21 | D | 97.3 | Very high | 83.5 | Confident | 88 Ų | 88 | 78.4 Ų | 78.4 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | -179 | 170.2 | -158.5 | -9.9 | 0 | 0 | 0 | 108.1 | T27 L28 K30 C33 | D21-T27 WeakPolarHBondContact O-CA 3.23Å; D21-L28 PolarHBondContact N-O 3.09Å; D21-L28 PolarHBondContact O-N 3.27Å; D21-L28 VanDerWaalsContact O-O 3.08Å; D21-K30 HydrophobicContact CB-CG 4Å; D21-C33 HydrophobicContact CB-CB 4.28Å |
| 22 | E | 97.8 | Very high | 86 | Confident | 119 Ų | 119 | 71.5 Ų | 71.5 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 143.4 | -175.7 | -65.2 | -176.3 | -179.3 | 0 | 0 | 112.7 | V26 | E22-V26 WeakPolarHBondContact CA-O 3.32Å |
| 23 | V | 98.1 | Very high | 88.6 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 117.2 | 166.7 | 170.7 | 0 | 0 | 0 | 0 | 106.9 | G25 V26 L28 C33 W36 L125 | V23-G25 PolarHBondContact O-N 3.29Å; V23-G25 VanDerWaalsContact O-N 3.12Å; V23-V26 PolarHBondContact N-O 3.28Å; V23-V26 WeakPolarHBondContact O-CB 3.32Å; V23-V26 PolarHBondContact O-N 3Å; V23-L28 HydrophobicContact CB-CD1 4.1Å; V23-L28 HydrophobicContact CG2-CD1 4Å; V23-C33 HydrophobicContact CG2-CB 4.4Å; V23-W36 HydrophobicContact CB-CD2 4.38Å; V23-W36 HydrophobicContact CG1-CD2 3.69Å; V23-W36 HydrophobicContact CG1-CE3 4.35Å; V23-W36 HydrophobicContact CG1-CG 4.03Å; V23-W36 HydrophobicContact CG1-CH2 4.41Å; V23-W36 HydrophobicContact CG1-CZ2 3.73Å; V23-W36 HydrophobicContact CG2-CB 4.34Å; V23-W36 HydrophobicContact CG2-CD2 3.94Å; V23-W36 HydrophobicContact CG2-CE3 4.27Å; V23-W36 HydrophobicContact CG2-CG 3.92Å; V23-L125 HydrophobicContact CG1-CD1 4.28Å; V23-L125 HydrophobicContact CG1-CD2 4.15Å |
| 24 | E | 96.6 | Very high | 90.8 | Very high | 171 Ų | 171 | 62.5 Ų | 62.5 | 80% | 0.799 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 40.2 | -178.2 | -57.9 | -63.9 | 151.3 | 0 | 0 | 112.7 | V26 L125 | E24-V26 VanDerWaalsContact C-N 3.32Å; E24-V26 PolarHBondContact O-N 3.33Å; E24-L125 HydrophobicContact CB-CD2 4.09Å; E24-L125 HydrophobicContact CG-CD2 4.19Å |
| 25 | G | 96.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 60% | 0.598 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 7.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V23 | V23-G25 PolarHBondContact O-N 3.29Å; V23-G25 VanDerWaalsContact O-N 3.12Å |
| 26 | V | 98.3 | Very high | 94.4 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | E22 V23 E24 L28 P122 L125 | E22-V26 WeakPolarHBondContact CA-O 3.32Å; V23-V26 PolarHBondContact N-O 3.28Å; V23-V26 WeakPolarHBondContact O-CB 3.32Å; V23-V26 PolarHBondContact O-N 3Å; E24-V26 VanDerWaalsContact C-N 3.32Å; E24-V26 PolarHBondContact O-N 3.33Å; V26-L28 PolarHBondContact O-N 2.93Å; V26-P122 HydrophobicContact CG1-CG 4.07Å; V26-P122 HydrophobicContact CG2-CG 3.87Å; V26-L125 HydrophobicContact CB-CD1 3.65Å; V26-L125 HydrophobicContact CG1-CD1 4.07Å; V26-L125 HydrophobicContact CG2-CD1 3.61Å; V26-L125 HydrophobicContact CG2-CG 4.33Å |
| 27 | T | 98.1 | Very high | 95.4 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 124 | 177.7 | -50.1 | 0 | 0 | 0 | 0 | 111.2 | T20 D21 L180 W181 | T20-T27 HydrophobicContact CG2-CG2 4.01Å; D21-T27 WeakPolarHBondContact O-CA 3.23Å; T27-L180 HydrophobicContact CG2-CD2 4.44Å; T27-L180 CarbonylContact O-C 3.56Å; T27-L180 WeakPolarHBondContact O-CA 3.48Å; T27-W181 PolarHBondContact O-N 2.97Å |
| 28 | L | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 172.3 | 175 | -63.2 | 173.5 | 0 | 0 | 0 | 109.1 | T20 D21 V23 V26 I32 W36 L121 W181 | T20-L28 CarbonylContact C-O 3.57Å; T20-L28 WeakPolarHBondContact CA-O 3.43Å; T20-L28 WeakPolarHBondContact CB-O 3.49Å; D21-L28 PolarHBondContact N-O 3.09Å; D21-L28 PolarHBondContact O-N 3.27Å; D21-L28 VanDerWaalsContact O-O 3.08Å; V23-L28 HydrophobicContact CB-CD1 4.1Å; V23-L28 HydrophobicContact CG2-CD1 4Å; V26-L28 PolarHBondContact O-N 2.93Å; L28-I32 HydrophobicContact CB-CB 4.31Å; L28-I32 HydrophobicContact CB-CG2 4.36Å; L28-I32 HydrophobicContact CD1-CG2 3.93Å; L28-W36 HydrophobicContact CD1-CE3 4.2Å; L28-W36 HydrophobicContact CD1-CZ3 4.05Å; L28-L121 HydrophobicContact CD2-CD2 4.49Å; L28-W181 HydrophobicContact CD2-CG 4.37Å |
| 29 | T | 95.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.043 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 149.4 | 172.2 | 67.9 | 0 | 0 | 0 | 0 | 109.3 | A18 E19 A31 I32 C33 L180 | A18-T29 HydrophobicContact CB-CG2 3.93Å; E19-T29 WeakPolarHBondContact O-CA 3.32Å; T29-A31 PolarHBondContact O-N 3.12Å; T29-A31 VanDerWaalsContact O-N 3.07Å; T29-I32 PolarHBondContact O-N 3.48Å; T29-I32 VanDerWaalsContact OG1-CG1 3.31Å; T29-I32 WeakPolarHBondContact OG1-CG1 3.29Å; T29-I32 PolarHBondContact OG1-N 3.01Å; T29-C33 PolarHBondContact O-N 3.42Å; T29-C33 PolarHBondContact O-SG 2.81Å; T29-C33 VanDerWaalsContact O-SG 3.41Å; T29-L180 HydrophobicContact CG2-CD1 3.59Å; T29-L180 HydrophobicContact CG2-CD2 3.84Å; T29-L180 HydrophobicContact CG2-CG 4.4Å |
| 30 | K | 94.4 | Very high | 96.3 | Very high | 98 Ų | 98 | 55.7 Ų | 55.7 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.1 | -31 | 175.5 | -79 | -169.9 | 178.5 | 175.7 | 0 | 113.2 | E19 D21 C33 S34 | E19-K30 HydrophobicContact CB-CD 3.79Å; E19-K30 HydrophobicContact CB-CG 4.13Å; E19-K30 PolarHBondContact O-N 3.19Å; E19-K30 WeakPolarHBondContact OE2-CD 3.24Å; E19-K30 WeakPolarHBondContact OE2-CE 3.27Å; E19-K30 IonicContact OE2-NZ 2.66Å; E19-K30 PolarHBondContact OE2-NZ 3.1Å; D21-K30 HydrophobicContact CB-CG 4Å; K30-C33 PolarHBondContact O-N 3.21Å; K30-S34 WeakPolarHBondContact O-CB 3.4Å; K30-S34 PolarHBondContact O-N 3.04Å; K30-S34 PolarHBondContact O-OG 3.39Å |
| 31 | A | 91.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 57.1 Ų | 57.1 | 20% | 0.198 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | T29 S34 T35 F93 | T29-A31 PolarHBondContact O-N 3.12Å; T29-A31 VanDerWaalsContact O-N 3.07Å; A31-S34 PolarHBondContact O-OG 2.86Å; A31-S34 VanDerWaalsContact O-OG 3.06Å; A31-T35 PolarHBondContact O-OG1 3.04Å; A31-F93 HydrophobicContact CB-CD1 4.18Å |
| 32 | I | 94.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.5 | -45.4 | 174.5 | -60.7 | 176.4 | 0 | 0 | 0 | 109.4 | L28 T29 S34 T35 W36 E91 W92 | L28-I32 HydrophobicContact CB-CB 4.31Å; L28-I32 HydrophobicContact CB-CG2 4.36Å; L28-I32 HydrophobicContact CD1-CG2 3.93Å; T29-I32 PolarHBondContact O-N 3.48Å; T29-I32 VanDerWaalsContact OG1-CG1 3.31Å; T29-I32 WeakPolarHBondContact OG1-CG1 3.29Å; T29-I32 PolarHBondContact OG1-N 3.01Å; I32-S34 VanDerWaalsContact C-N 3.29Å; I32-S34 PolarHBondContact O-N 2.85Å; I32-T35 CarbonylContact O-C 3.56Å; I32-T35 PolarHBondContact O-N 2.69Å; I32-T35 PolarHBondContact O-OG1 2.9Å; I32-W36 HydrophobicContact CG2-CE3 4.38Å; I32-W36 PolarHBondContact O-N 3.16Å; I32-W36 VanDerWaalsContact O-N 3.09Å; I32-E91 HydrophobicContact CD1-CG 4.39Å; I32-E91 VanDerWaalsContact CG1-O 3.25Å; I32-E91 WeakPolarHBondContact CG1-O 3.35Å; I32-E91 HydrophobicContact CG2-CB 4.23Å; I32-W92 HydrophobicContact CD1-CE3 4.12Å; I32-W92 HydrophobicContact CD1-CZ3 4.36Å |
| 33 | C | 96 | Very high | 96.5 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -39.8 | 179.4 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | D21 V23 T29 K30 T35 W36 | D21-C33 HydrophobicContact CB-CB 4.28Å; V23-C33 HydrophobicContact CG2-CB 4.4Å; T29-C33 PolarHBondContact O-N 3.42Å; T29-C33 PolarHBondContact O-SG 2.81Å; T29-C33 VanDerWaalsContact O-SG 3.41Å; K30-C33 PolarHBondContact O-N 3.21Å; C33-T35 PolarHBondContact O-N 2.85Å; C33-W36 VanDerWaalsContact O-CB 3.3Å; C33-W36 WeakPolarHBondContact O-CB 3.38Å; C33-W36 PolarHBondContact O-N 3.39Å |
| 34 | S | 94.2 | Very high | 96.5 | Very high | 93 Ų | 93 | 55 Ų | 55 | 65% | 0.65 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -16 | 179.2 | 69.3 | 0 | 0 | 0 | 0 | 114.3 | K30 A31 I32 | K30-S34 WeakPolarHBondContact O-CB 3.4Å; K30-S34 PolarHBondContact O-N 3.04Å; K30-S34 PolarHBondContact O-OG 3.39Å; A31-S34 PolarHBondContact O-OG 2.86Å; A31-S34 VanDerWaalsContact O-OG 3.06Å; I32-S34 VanDerWaalsContact C-N 3.29Å; I32-S34 PolarHBondContact O-N 2.85Å |
| 35 | T | 93.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 12 | 177.7 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | A31 I32 C33 D37 Q38 V39 F93 | A31-T35 PolarHBondContact O-OG1 3.04Å; I32-T35 CarbonylContact O-C 3.56Å; I32-T35 PolarHBondContact O-N 2.69Å; I32-T35 PolarHBondContact O-OG1 2.9Å; C33-T35 PolarHBondContact O-N 2.85Å; T35-D37 VanDerWaalsContact C-N 3.32Å; T35-D37 PolarHBondContact O-N 3.16Å; T35-Q38 WeakPolarHBondContact O-CB 3.25Å; T35-Q38 PolarHBondContact O-N 3.44Å; T35-V39 PolarHBondContact O-N 3.16Å; T35-F93 HydrophobicContact CG2-CD1 4.44Å; T35-F93 HydrophobicContact CG2-CD2 4.02Å; T35-F93 HydrophobicContact CG2-CE2 4.14Å; T35-F93 HydrophobicContact CG2-CG 4.19Å; T35-F93 HydrophobicContact CG2-CZ 4.39Å |
| 36 | W | 97.4 | Very high | 96.7 | Very high | 32 Ų | 32 | 51.5 Ų | 51.5 | 12% | 0.121 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.2 | -41.3 | -170.7 | -176.4 | -110.4 | 0 | 0 | 0 | 113.5 | V23 L28 I32 C33 Q38 V39 W40 L121 L125 | V23-W36 HydrophobicContact CB-CD2 4.38Å; V23-W36 HydrophobicContact CG1-CD2 3.69Å; V23-W36 HydrophobicContact CG1-CE3 4.35Å; V23-W36 HydrophobicContact CG1-CG 4.03Å; V23-W36 HydrophobicContact CG1-CH2 4.41Å; V23-W36 HydrophobicContact CG1-CZ2 3.73Å; V23-W36 HydrophobicContact CG2-CB 4.34Å; V23-W36 HydrophobicContact CG2-CD2 3.94Å; V23-W36 HydrophobicContact CG2-CE3 4.27Å; V23-W36 HydrophobicContact CG2-CG 3.92Å; L28-W36 HydrophobicContact CD1-CE3 4.2Å; L28-W36 HydrophobicContact CD1-CZ3 4.05Å; I32-W36 HydrophobicContact CG2-CE3 4.38Å; I32-W36 PolarHBondContact O-N 3.16Å; I32-W36 VanDerWaalsContact O-N 3.09Å; C33-W36 VanDerWaalsContact O-CB 3.3Å; C33-W36 WeakPolarHBondContact O-CB 3.38Å; C33-W36 PolarHBondContact O-N 3.39Å; W36-Q38 PolarHBondContact O-N 3.44Å; W36-V39 HydrophobicContact CE3-CB 4.16Å; W36-V39 HydrophobicContact CE3-CG1 4.28Å; W36-V39 HydrophobicContact CH2-CG1 4.33Å; W36-V39 HydrophobicContact CZ3-CB 4.24Å; W36-V39 HydrophobicContact CZ3-CG1 3.85Å; W36-V39 WeakPolarHBondContact O-CB 3.48Å; W36-V39 PolarHBondContact O-N 2.93Å; W36-W40 AromaticContact CZ2-CE3 3.84Å; W36-W40 HydrophobicContact CZ2-CE3 3.84Å; W36-W40 WeakPolarHBondContact O-CB 3.46Å; W36-W40 PolarHBondContact O-N 3.4Å; W36-L121 HydrophobicContact CH2-CD1 4.04Å; W36-L121 HydrophobicContact CH2-CD2 3.91Å; W36-L121 HydrophobicContact CZ3-CD1 4.24Å; W36-L121 HydrophobicContact CZ3-CD2 3.82Å; W36-L125 HydrophobicContact CH2-CB 3.88Å; W36-L125 HydrophobicContact CH2-CD1 4.25Å; W36-L125 HydrophobicContact CH2-CD2 4.42Å; W36-L125 HydrophobicContact CH2-CG 4.41Å; W36-L125 HydrophobicContact CZ2-CB 4.18Å; W36-L125 HydrophobicContact CZ2-CD1 4.48Å; W36-L125 HydrophobicContact CZ2-CD2 3.95Å; W36-L125 HydrophobicContact CZ2-CG 4.43Å |
| 37 | D | 97.4 | Very high | 96.7 | Very high | 120 Ų | 120 | 54.8 Ų | 54.8 | 64% | 0.642 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -58.3 | -34.1 | 177.6 | -72.7 | -19.8 | 0 | 0 | 0 | 112.4 | T35 N41 | T35-D37 VanDerWaalsContact C-N 3.32Å; T35-D37 PolarHBondContact O-N 3.16Å; D37-N41 VanDerWaalsContact O-CB 3.27Å; D37-N41 WeakPolarHBondContact O-CB 3.38Å; D37-N41 PolarHBondContact O-N 3.05Å; D37-N41 VanDerWaalsContact O-N 3.1Å; D37-N41 PolarHBondContact O-ND2 2.98Å |
| 38 | Q | 96.8 | Very high | 96.7 | Very high | 123 Ų | 123 | 54.1 Ų | 54.1 | 58% | 0.575 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -73.2 | -39.8 | 177.3 | -59.1 | 175.8 | 43 | 0 | 0 | 111.1 | T35 W36 F42 L105 | T35-Q38 WeakPolarHBondContact O-CB 3.25Å; T35-Q38 PolarHBondContact O-N 3.44Å; W36-Q38 PolarHBondContact O-N 3.44Å; Q38-F42 PolarHBondContact O-N 2.99Å; Q38-L105 HydrophobicContact CB-CD1 3.62Å |
| 39 | V | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -51.3 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 110 | T35 W36 N41 F42 E91 L105 L121 P127 | T35-V39 PolarHBondContact O-N 3.16Å; W36-V39 HydrophobicContact CE3-CB 4.16Å; W36-V39 HydrophobicContact CE3-CG1 4.28Å; W36-V39 HydrophobicContact CH2-CG1 4.33Å; W36-V39 HydrophobicContact CZ3-CB 4.24Å; W36-V39 HydrophobicContact CZ3-CG1 3.85Å; W36-V39 WeakPolarHBondContact O-CB 3.48Å; W36-V39 PolarHBondContact O-N 2.93Å; V39-N41 VanDerWaalsContact C-N 3.31Å; V39-N41 PolarHBondContact O-N 3.39Å; V39-F42 WeakPolarHBondContact O-CB 3.39Å; V39-F42 PolarHBondContact O-N 3.46Å; V39-F42 VanDerWaalsContact O-N 3.12Å; V39-E91 HydrophobicContact CG1-CB 3.92Å; V39-E91 HydrophobicContact CG2-CB 4.32Å; V39-L105 HydrophobicContact CG2-CD1 4.01Å; V39-L121 HydrophobicContact CG1-CD1 4.06Å; V39-P127 WeakPolarHBondContact O-CG 3.36Å |
| 40 | W | 98.4 | Very high | 97 | Very high | 93 Ų | 93 | 54.1 Ų | 54.1 | 35% | 0.352 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | -178.9 | -173.8 | -107.6 | 0 | 0 | 0 | 112.8 | W36 F42 P128 | W36-W40 AromaticContact CZ2-CE3 3.84Å; W36-W40 HydrophobicContact CZ2-CE3 3.84Å; W36-W40 WeakPolarHBondContact O-CB 3.46Å; W36-W40 PolarHBondContact O-N 3.4Å; W40-F42 VanDerWaalsContact C-N 3.32Å; W40-F42 PolarHBondContact O-N 2.88Å; W40-P128 HydrophobicContact CD2-CG 4.3Å; W40-P128 HydrophobicContact CH2-CG 3.85Å; W40-P128 HydrophobicContact CZ2-CG 3.43Å; W40-P128 VanDerWaalsContact CZ2-CG 3.43Å; W40-P128 HydrophobicContact CZ3-CG 4.41Å; W40-P128 WeakPolarHBondContact O-CD 3.29Å |
| 41 | N | 98.2 | Very high | 97.2 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 49% | 0.492 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 6.9 | 178.7 | -70.4 | -63.7 | 0 | 0 | 0 | 114.4 | D37 V39 R43 | D37-N41 VanDerWaalsContact O-CB 3.27Å; D37-N41 WeakPolarHBondContact O-CB 3.38Å; D37-N41 PolarHBondContact O-N 3.05Å; D37-N41 VanDerWaalsContact O-N 3.1Å; D37-N41 PolarHBondContact O-ND2 2.98Å; V39-N41 VanDerWaalsContact C-N 3.31Å; V39-N41 PolarHBondContact O-N 3.39Å; N41-R43 PolarHBondContact O-N 3.04Å |
| 42 | F | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | trans | -52.4 | 138.3 | 177.1 | 177.4 | -102.9 | 0 | 0 | 0 | 111.1 | Q38 V39 W40 A44 L105 A108 L117 P127 S129 F130 | Q38-F42 PolarHBondContact O-N 2.99Å; V39-F42 WeakPolarHBondContact O-CB 3.39Å; V39-F42 PolarHBondContact O-N 3.46Å; V39-F42 VanDerWaalsContact O-N 3.12Å; W40-F42 VanDerWaalsContact C-N 3.32Å; W40-F42 PolarHBondContact O-N 2.88Å; F42-A44 HydrophobicContact CE1-CB 4.5Å; F42-L105 HydrophobicContact CB-CD2 4.18Å; F42-L105 HydrophobicContact CD2-CD2 3.65Å; F42-L105 HydrophobicContact CE2-CD2 4.39Å; F42-L105 HydrophobicContact CG-CD2 4.15Å; F42-A108 HydrophobicContact CE2-CB 3.74Å; F42-A108 HydrophobicContact CZ-CB 3.92Å; F42-L117 HydrophobicContact CE1-CD1 3.69Å; F42-L117 HydrophobicContact CZ-CD1 3.7Å; F42-P127 HydrophobicContact CB-CB 4.21Å; F42-P127 HydrophobicContact CB-CG 4.21Å; F42-S129 WeakPolarHBondContact O-CB 3.42Å; F42-S129 PolarHBondContact O-OG 3.25Å; F42-F130 AromaticContact CD1-CE2 3.77Å; F42-F130 HydrophobicContact CD1-CE2 3.77Å; F42-F130 AromaticContact CD1-CZ 3.98Å; F42-F130 HydrophobicContact CD1-CZ 3.98Å; F42-F130 AromaticContact CE1-CE2 3.98Å; F42-F130 HydrophobicContact CE1-CE2 3.98Å; F42-F130 AromaticContact CE1-CZ 3.68Å; F42-F130 HydrophobicContact CE1-CZ 3.68Å | ||
| 43 | R | 98.3 | Very high | 97.8 | Very high | 161 Ų | 161 | 48.3 Ų | 48.3 | 61% | 0.608 | 24% | 0.243 | S | C | * | . | trans | -101.4 | 96.5 | -178.3 | -60.9 | -60.8 | -178.5 | 178.6 | -4.5 | 110.4 | N41 R115 | N41-R43 PolarHBondContact O-N 3.04Å; R43-R115 PolarHBondContact O-NH2 2.85Å | ||
| 44 | A | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | trans | -62.2 | 152.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F42 D48 S129 F130 | F42-A44 HydrophobicContact CE1-CB 4.5Å; A44-D48 WeakPolarHBondContact CA-OD2 3.25Å; A44-S129 WeakPolarHBondContact CB-OG 3.46Å; A44-S129 PolarHBondContact N-OG 2.64Å; A44-F130 HydrophobicContact CB-CB 4.46Å; A44-F130 HydrophobicContact CB-CD1 3.66Å; A44-F130 HydrophobicContact CB-CD2 4.27Å; A44-F130 HydrophobicContact CB-CE1 3.88Å; A44-F130 HydrophobicContact CB-CE2 4.46Å; A44-F130 HydrophobicContact CB-CG 3.88Å; A44-F130 HydrophobicContact CB-CZ 4.28Å | ||
| 45 | R | 98.6 | Very high | 98.1 | Very high | 66 Ų | 66 | 42.8 Ų | 42.8 | 25% | 0.249 | 21% | 0.205 | C | C | . | . | trans | -106.9 | 152 | 174.3 | -63 | 170.7 | -168.6 | 165.9 | 6.4 | 108.9 | D47 D48 E109 M111 S113 C135 | R45-D47 PolarHBondContact O-N 2.99Å; R45-D48 PolarHBondContact N-OD2 3.01Å; R45-D48 WeakPolarHBondContact O-CB 3.48Å; R45-D48 PolarHBondContact O-N 3.19Å; R45-E109 PolarHBondContact NH2-O 3.18Å; R45-M111 PolarHBondContact NH1-O 3.08Å; R45-M111 PolarHBondContact NH2-O 3.01Å; R45-S113 WeakPolarHBondContact CD-OG 3.43Å; R45-S113 PolarHBondContact NH1-OG 2.92Å; R45-C135 PolarHBondContact O-SG 3.49Å | ||
| 46 | P | 98.2 | Very high | 98.3 | Very high | 89 Ų | 89 | 43.4 Ų | 43.4 | 58% | 0.578 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.5 | -179.3 | -23.4 | 28.6 | 0 | 0 | 0 | 114.8 | ||
| 47 | D | 98.2 | Very high | 98.3 | Very high | 79 Ų | 79 | 41.9 Ų | 41.9 | 42% | 0.422 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 9.2 | -177.4 | 69.7 | -26.2 | 0 | 0 | 0 | 114 | R45 S113 P114 | R45-D47 PolarHBondContact O-N 2.99Å; D47-S113 PolarHBondContact OD1-OG 2.78Å; D47-S113 VanDerWaalsContact OD2-CB 3.25Å; D47-S113 WeakPolarHBondContact OD2-CB 3.16Å; D47-P114 HydrophobicContact CB-CB 4.47Å; D47-P114 WeakPolarHBondContact OD2-CA 3.39Å |
| 48 | D | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | trans | -69.1 | 143.6 | 172.5 | -72.7 | -19.1 | 0 | 0 | 0 | 111.6 | A44 R45 R115 F130 | A44-D48 WeakPolarHBondContact CA-OD2 3.25Å; R45-D48 PolarHBondContact N-OD2 3.01Å; R45-D48 WeakPolarHBondContact O-CB 3.48Å; R45-D48 PolarHBondContact O-N 3.19Å; D48-R115 WeakPolarHBondContact CA-O 3.39Å; D48-R115 VanDerWaalsContact OD1-CB 3.3Å; D48-R115 WeakPolarHBondContact OD1-CB 3.31Å; D48-R115 IonicContact OD1-CZ 2.75Å; D48-R115 IonicContact OD1-NE 2.75Å; D48-R115 PolarHBondContact OD1-NE 2.82Å; D48-R115 IonicContact OD1-NH2 3.66Å; D48-R115 IonicContact OD2-CZ 2.97Å; D48-R115 IonicContact OD2-NE 3.2Å; D48-R115 PolarHBondContact OD2-NE 3.03Å; D48-R115 IonicContact OD2-NH2 2.67Å; D48-R115 PolarHBondContact OD2-NH2 3.32Å; D48-F130 HydrophobicContact CB-CE1 4.39Å | ||
| 49 | L | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.4 | 166.9 | 175 | 64.5 | 0 | 0 | 0 | 109.2 | V66 R115 T116 L117 K136 I138 L223 | L49-V66 HydrophobicContact CD2-CG1 3.41Å; L49-V66 VanDerWaalsContact CD2-CG1 3.41Å; L49-V66 HydrophobicContact CD2-CG2 4.48Å; L49-R115 PolarHBondContact N-O 3.08Å; L49-T116 HydrophobicContact CB-CG2 4.43Å; L49-T116 HydrophobicContact CD2-CG2 3.98Å; L49-T116 HydrophobicContact CG-CG2 4.23Å; L49-T116 CarbonylContact O-C 3.54Å; L49-T116 WeakPolarHBondContact O-CA 3.32Å; L49-L117 PolarHBondContact O-N 3.34Å; L49-K136 WeakPolarHBondContact CA-O 3.37Å; L49-K136 HydrophobicContact CD1-CB 3.8Å; L49-I138 HydrophobicContact CD1-CD1 4.14Å; L49-I138 HydrophobicContact CD1-CG1 4.14Å; L49-I138 HydrophobicContact CD2-CD1 4.35Å; L49-L223 HydrophobicContact CD1-CD2 3.94Å; L49-L223 HydrophobicContact CD2-CD2 3.61Å; L49-L223 HydrophobicContact CG-CD2 4.41Å |
| 50 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.3 | 174.2 | -173.1 | 63.3 | 0 | 0 | 0 | 110.6 | I90 L117 T119 V126 F130 K136 I137 I138 W191 | L50-I90 HydrophobicContact CD1-CD1 4.34Å; L50-L117 HydrophobicContact CD1-CB 4.07Å; L50-T119 HydrophobicContact CD1-CG2 3.8Å; L50-T119 HydrophobicContact CD2-CG2 3.94Å; L50-T119 HydrophobicContact CG-CG2 4.01Å; L50-V126 HydrophobicContact CD2-CG1 3.99Å; L50-F130 HydrophobicContact CB-CD1 4.19Å; L50-F130 HydrophobicContact CB-CE1 4.02Å; L50-F130 HydrophobicContact CD1-CE1 4.09Å; L50-F130 HydrophobicContact CD1-CE2 4.45Å; L50-F130 HydrophobicContact CD1-CZ 3.91Å; L50-F130 HydrophobicContact CD2-CD1 4.14Å; L50-F130 HydrophobicContact CD2-CD2 4.29Å; L50-F130 HydrophobicContact CD2-CE1 4.25Å; L50-F130 HydrophobicContact CD2-CE2 4.4Å; L50-F130 HydrophobicContact CD2-CG 4.16Å; L50-F130 HydrophobicContact CD2-CZ 4.38Å; L50-F130 HydrophobicContact CG-CE1 4.35Å; L50-K136 PolarHBondContact N-O 3.46Å; L50-I137 HydrophobicContact CB-CB 4.49Å; L50-I137 HydrophobicContact CB-CG1 4.12Å; L50-I137 HydrophobicContact CB-CG2 4.21Å; L50-I137 HydrophobicContact CD2-CD1 4.28Å; L50-I137 HydrophobicContact CD2-CG1 4.5Å; L50-I137 HydrophobicContact CD2-CG2 4.46Å; L50-I137 HydrophobicContact CG-CG2 4.43Å; L50-I137 CarbonylContact O-C 3.53Å; L50-I137 VanDerWaalsContact O-CA 3.24Å; L50-I137 WeakPolarHBondContact O-CA 3.34Å; L50-I137 WeakPolarHBondContact O-CG2 3.34Å; L50-I138 PolarHBondContact O-N 3.26Å; L50-W191 HydrophobicContact CD2-CH2 4.46Å |
| 51 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 107.7 | 168.1 | -61.7 | 174.5 | 0 | 0 | 0 | 107.3 | T53 T59 T62 Q63 V66 T116 L117 K118 T119 I138 | I51-T53 HydrophobicContact CG2-CG2 4.47Å; I51-T59 HydrophobicContact CG2-CG2 4.13Å; I51-T62 HydrophobicContact CD1-CG2 4.33Å; I51-T62 HydrophobicContact CG2-CG2 3.97Å; I51-Q63 HydrophobicContact CD1-CB 4.32Å; I51-Q63 HydrophobicContact CD1-CG 3.75Å; I51-Q63 HydrophobicContact CG2-CG 4.5Å; I51-V66 HydrophobicContact CD1-CB 4.16Å; I51-V66 HydrophobicContact CD1-CG1 4.34Å; I51-V66 HydrophobicContact CD1-CG2 4.06Å; I51-T116 HydrophobicContact CD1-CG2 3.62Å; I51-T116 HydrophobicContact CG1-CG2 4.06Å; I51-L117 PolarHBondContact N-O 3.11Å; I51-K118 WeakPolarHBondContact O-CA 3.25Å; I51-T119 PolarHBondContact O-N 3.45Å; I51-I138 WeakPolarHBondContact CA-O 3.33Å |
| 52 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T119 I137 I138 Y139 M140 W191 | A52-T119 WeakPolarHBondContact CA-O 3.36Å; A52-T119 HydrophobicContact CB-CG2 3.8Å; A52-I137 HydrophobicContact CB-CG2 4.1Å; A52-I138 PolarHBondContact N-O 2.92Å; A52-Y139 HydrophobicContact CB-CD2 3.94Å; A52-Y139 VanDerWaalsContact O-CA 3.24Å; A52-Y139 WeakPolarHBondContact O-CA 3.18Å; A52-Y139 WeakPolarHBondContact O-CD2 3.3Å; A52-M140 PolarHBondContact O-N 3.42Å; A52-W191 HydrophobicContact CB-CH2 3.47Å; A52-W191 VanDerWaalsContact CB-CH2 3.47Å; A52-W191 HydrophobicContact CB-CZ2 3.38Å; A52-W191 HydrophobicContact CB-CZ3 4.1Å |
| 53 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 152.3 | 174.9 | 73.3 | 0 | 0 | 0 | 0 | 109.7 | I51 T59 T119 H120 M140 | I51-T53 HydrophobicContact CG2-CG2 4.47Å; T53-T59 HydrophobicContact CG2-CG2 3.92Å; T53-T59 PolarHBondContact OG1-OG1 3.1Å; T53-T119 PolarHBondContact N-O 3.42Å; T53-H120 VanDerWaalsContact O-CA 3.3Å; T53-H120 WeakPolarHBondContact O-CA 3.48Å; T53-H120 PolarHBondContact O-ND1 2.91Å; T53-H120 PolarHBondContact OG1-CE1 3.37Å; T53-H120 PolarHBondContact OG1-ND1 3.37Å; T53-M140 WeakPolarHBondContact CB-O 3.44Å; T53-M140 HydrophobicContact CG2-CB 3.68Å |
| 54 | Y | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -61 | 153.2 | 155 | -172.6 | -98 | 0 | 0 | 0 | 109.3 | K56 A57 Y151 F174 V179 G182 W184 H187 | Y54-K56 PolarHBondContact O-N 2.98Å; Y54-A57 WeakPolarHBondContact O-CB 3.41Å; Y54-A57 PolarHBondContact O-N 2.77Å; Y54-Y151 HydrophobicContact CE1-CD1 4.13Å; Y54-Y151 HydrophobicContact CE1-CE1 4.2Å; Y54-F174 AromaticContact CE1-CE2 3.79Å; Y54-F174 HydrophobicContact CE1-CE2 3.79Å; Y54-F174 HydrophobicContact CE1-CZ 4.25Å; Y54-F174 WeakPolarHBondContact OH-CE2 3.34Å; Y54-V179 VanDerWaalsContact OH-CG2 3.27Å; Y54-V179 WeakPolarHBondContact OH-CG2 3.5Å; Y54-G182 PolarHBondContact OH-O 2.67Å; Y54-W184 HydrophobicContact CD1-CB 4.45Å; Y54-W184 AromaticContact CD1-CD1 3.52Å; Y54-W184 HydrophobicContact CD1-CG 4.37Å; Y54-W184 HydrophobicContact CD2-CB 4.43Å; Y54-W184 HydrophobicContact CE1-CB 4.12Å; Y54-W184 AromaticContact CE1-CD1 3.88Å; Y54-W184 HydrophobicContact CE1-CG 4.42Å; Y54-W184 HydrophobicContact CE2-CB 4.1Å; Y54-W184 AromaticContact CG-CD1 3.82Å; Y54-H187 HydrophobicContact CD2-CB 3.92Å; Y54-H187 AromaticContact CD2-CD2 3.84Å; Y54-H187 AromaticContact CD2-CG 3.79Å; Y54-H187 PolarHBondContact N-CE1 3.17Å |
| 55 | A | 97.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 136.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A57 Y151 W181 | A55-A57 VanDerWaalsContact C-N 3.3Å; A55-A57 PolarHBondContact O-N 2.75Å; A55-Y151 HydrophobicContact CB-CD2 4.25Å; A55-Y151 HydrophobicContact CB-CE1 4.11Å; A55-Y151 HydrophobicContact CB-CE2 3.78Å; A55-W181 HydrophobicContact CB-CE3 3.62Å; A55-W181 HydrophobicContact CB-CZ3 3.63Å |
| 56 | K | 98.5 | Very high | 98.6 | Very high | 28 Ų | 28 | 13.4 Ų | 13.4 | 12% | 0.122 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 19 | 175.5 | -40.5 | -50.9 | -61.5 | -178.7 | 0 | 116.3 | Y54 R142 Y151 F154 | Y54-K56 PolarHBondContact O-N 2.98Å; K56-R142 PolarHBondContact O-NH1 3.39Å; K56-Y151 HydrophobicContact CD-CD2 4.35Å; K56-Y151 HydrophobicContact CG-CD2 3.82Å; K56-Y151 HydrophobicContact CG-CG 4.04Å; K56-F154 HydrophobicContact CD-CB 3.79Å; K56-F154 HydrophobicContact CD-CD1 3.9Å; K56-F154 HydrophobicContact CD-CD2 4.37Å; K56-F154 HydrophobicContact CD-CG 3.76Å; K56-F154 HydrophobicContact CG-CB 4.45Å; K56-F154 VanDerWaalsContact NZ-CD2 3.26Å |
| 57 | A | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -88.5 | 4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y54 A55 M140 R142 | Y54-A57 WeakPolarHBondContact O-CB 3.41Å; Y54-A57 PolarHBondContact O-N 2.77Å; A55-A57 VanDerWaalsContact C-N 3.3Å; A55-A57 PolarHBondContact O-N 2.75Å; A57-M140 WeakPolarHBondContact CB-O 3.46Å; A57-M140 WeakPolarHBondContact O-CG 3.49Å; A57-R142 HydrophobicContact CB-CB 3.74Å |
| 58 | G | 98.1 | Very high | 98.6 | Very high | 13 Ų | 13 | 5.5 Ų | 5.5 | 13% | 0.134 | 3% | 0.029 | C | C | . | . | S | Bend | trans | 111.3 | 25 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T60 W61 T62 | G58-T60 PolarHBondContact O-N 3.41Å; G58-W61 WeakPolarHBondContact O-CB 3.49Å; G58-W61 PolarHBondContact O-N 3.4Å; G58-T62 PolarHBondContact O-N 2.78Å; G58-T62 PolarHBondContact O-OG1 3.17Å |
| 59 | T | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 5.4 Ų | 5.4 | 5% | 0.049 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -56 | -52.3 | -178 | -27.9 | 0 | 0 | 0 | 0 | 112.8 | I51 T53 W61 T62 Q63 K118 H120 | I51-T59 HydrophobicContact CG2-CG2 4.13Å; T53-T59 HydrophobicContact CG2-CG2 3.92Å; T53-T59 PolarHBondContact OG1-OG1 3.1Å; T59-W61 VanDerWaalsContact C-N 3.27Å; T59-W61 PolarHBondContact O-N 2.78Å; T59-T62 WeakPolarHBondContact O-CB 3.32Å; T59-T62 PolarHBondContact O-N 3.11Å; T59-T62 VanDerWaalsContact O-N 3.16Å; T59-Q63 WeakPolarHBondContact O-CB 3.4Å; T59-Q63 VanDerWaalsContact O-CG 3.3Å; T59-Q63 WeakPolarHBondContact O-CG 3.41Å; T59-Q63 PolarHBondContact O-N 3.44Å; T59-K118 HydrophobicContact CG2-CD 3.85Å; T59-K118 HydrophobicContact CG2-CG 3.78Å; T59-H120 PolarHBondContact OG1-CE1 3.06Å; T59-H120 VanDerWaalsContact OG1-CE1 3.31Å |
| 60 | T | 98.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 7.4 Ų | 7.4 | 6% | 0.061 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63 | -35.4 | -178.8 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | G58 Q63 E64 T83 M244 A250 Y252 F267 M268 | G58-T60 PolarHBondContact O-N 3.41Å; T60-Q63 VanDerWaalsContact CA-OE1 3.32Å; T60-Q63 PolarHBondContact O-N 3.4Å; T60-E64 PolarHBondContact O-N 2.99Å; T60-T83 HydrophobicContact CG2-CG2 4.11Å; T60-M244 HydrophobicContact CG2-CE 4.05Å; T60-M244 WeakPolarHBondContact O-CE 3.35Å; T60-A250 WeakPolarHBondContact CG2-O 3.23Å; T60-Y252 HydrophobicContact CG2-CE2 4.1Å; T60-F267 HydrophobicContact CG2-CE1 4.23Å; T60-F267 WeakPolarHBondContact OG1-CE1 3.27Å; T60-F267 WeakPolarHBondContact OG1-CZ 3.33Å; T60-M268 HydrophobicContact CG2-CE 3.84Å |
| 61 | W | 98.8 | Very high | 98.4 | Very high | 36 Ų | 36 | 9.8 Ų | 9.8 | 14% | 0.136 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 175.8 | -167 | 14.8 | 0 | 0 | 0 | 111.2 | G58 T59 E64 I65 Y205 M208 K209 T239 M244 | G58-W61 WeakPolarHBondContact O-CB 3.49Å; G58-W61 PolarHBondContact O-N 3.4Å; T59-W61 VanDerWaalsContact C-N 3.27Å; T59-W61 PolarHBondContact O-N 2.78Å; W61-E64 PolarHBondContact O-N 3.31Å; W61-I65 HydrophobicContact CG-CD1 4.25Å; W61-I65 WeakPolarHBondContact O-CD1 3.44Å; W61-I65 VanDerWaalsContact O-CG1 3.32Å; W61-I65 WeakPolarHBondContact O-CG1 3.25Å; W61-I65 PolarHBondContact O-N 2.85Å; W61-Y205 AromaticContact CE3-CD2 3.9Å; W61-Y205 HydrophobicContact CE3-CD2 3.9Å; W61-Y205 AromaticContact CE3-CE2 3.51Å; W61-Y205 HydrophobicContact CE3-CE2 3.51Å; W61-Y205 AromaticContact CZ3-CD2 4Å; W61-Y205 HydrophobicContact CZ3-CD2 4Å; W61-Y205 AromaticContact CZ3-CE2 3.66Å; W61-Y205 HydrophobicContact CZ3-CE2 3.66Å; W61-M208 HydrophobicContact CD2-CE 4.11Å; W61-M208 HydrophobicContact CE3-CB 4.36Å; W61-M208 HydrophobicContact CE3-CE 4.35Å; W61-M208 HydrophobicContact CH2-CB 3.76Å; W61-M208 HydrophobicContact CH2-CE 3.78Å; W61-M208 WeakPolarHBondContact CH2-O 3.49Å; W61-M208 HydrophobicContact CZ2-CE 3.5Å; W61-M208 HydrophobicContact CZ3-CB 3.63Å; W61-M208 HydrophobicContact CZ3-CE 4.2Å; W61-K209 HydrophobicContact CH2-CD 3.53Å; W61-K209 HydrophobicContact CH2-CG 3.99Å; W61-K209 HydrophobicContact CZ3-CD 3.65Å; W61-K209 HydrophobicContact CZ3-CG 3.85Å; W61-T239 PolarHBondContact NE1-O 3.09Å; W61-M244 HydrophobicContact CG-SD 4.36Å |
| 62 | T | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 175.9 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | I51 G58 T59 E64 I65 V66 I138 M140 | I51-T62 HydrophobicContact CD1-CG2 4.33Å; I51-T62 HydrophobicContact CG2-CG2 3.97Å; G58-T62 PolarHBondContact O-N 2.78Å; G58-T62 PolarHBondContact O-OG1 3.17Å; T59-T62 WeakPolarHBondContact O-CB 3.32Å; T59-T62 PolarHBondContact O-N 3.11Å; T59-T62 VanDerWaalsContact O-N 3.16Å; T62-E64 PolarHBondContact O-N 2.98Å; T62-I65 PolarHBondContact O-N 2.96Å; T62-V66 HydrophobicContact CG2-CG2 4.32Å; T62-V66 WeakPolarHBondContact O-CB 3.28Å; T62-V66 VanDerWaalsContact O-CG2 3.24Å; T62-V66 WeakPolarHBondContact O-CG2 3.29Å; T62-V66 PolarHBondContact O-N 2.8Å; T62-I138 HydrophobicContact CG2-CG2 3.73Å; T62-M140 VanDerWaalsContact OG1-CE 3.31Å; T62-M140 WeakPolarHBondContact OG1-CE 3.49Å |
| 63 | Q | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.1 | -47.7 | 176.4 | -76.2 | 172.3 | -49.7 | 0 | 0 | 111.9 | I51 T59 T60 V66 D67 H87 | I51-Q63 HydrophobicContact CD1-CB 4.32Å; I51-Q63 HydrophobicContact CD1-CG 3.75Å; I51-Q63 HydrophobicContact CG2-CG 4.5Å; T59-Q63 WeakPolarHBondContact O-CB 3.4Å; T59-Q63 VanDerWaalsContact O-CG 3.3Å; T59-Q63 WeakPolarHBondContact O-CG 3.41Å; T59-Q63 PolarHBondContact O-N 3.44Å; T60-Q63 VanDerWaalsContact CA-OE1 3.32Å; T60-Q63 PolarHBondContact O-N 3.4Å; Q63-V66 PolarHBondContact O-N 2.8Å; Q63-D67 WeakPolarHBondContact O-CB 3.39Å; Q63-D67 PolarHBondContact O-N 3.27Å; Q63-H87 HydrophobicContact CG-CB 4.15Å; Q63-H87 PolarHBondContact O-CE1 3.01Å; Q63-H87 PolarHBondContact O-NE2 3.05Å |
| 64 | E | 98.8 | Very high | 98 | Very high | 5 Ų | 5 | 17 Ų | 17 | 2% | 0.023 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.2 | -41 | -179.4 | -163.8 | 73 | 164.4 | 0 | 0 | 112 | T60 W61 T62 D67 M68 R86 T239 M244 N247 | T60-E64 PolarHBondContact O-N 2.99Å; W61-E64 PolarHBondContact O-N 3.31Å; T62-E64 PolarHBondContact O-N 2.98Å; E64-D67 PolarHBondContact O-N 3.24Å; E64-M68 WeakPolarHBondContact O-CB 3.46Å; E64-M68 VanDerWaalsContact O-CG 3.29Å; E64-M68 WeakPolarHBondContact O-CG 3.07Å; E64-M68 PolarHBondContact O-N 3.32Å; E64-R86 IonicContact OE1-NH2 2.75Å; E64-R86 IonicContact OE2-CZ 2.63Å; E64-R86 VanDerWaalsContact OE2-CZ 3.24Å; E64-R86 IonicContact OE2-NH1 3.19Å; E64-R86 PolarHBondContact OE2-NH1 3.42Å; E64-R86 IonicContact OE2-NH2 3.91Å; E64-R86 PolarHBondContact OE2-NH2 2.83Å; E64-T239 HydrophobicContact CB-CG2 4.34Å; E64-T239 HydrophobicContact CG-CG2 4.05Å; E64-M244 HydrophobicContact CB-CE 3.43Å; E64-M244 VanDerWaalsContact CB-CE 3.43Å; E64-M244 HydrophobicContact CB-SD 4.08Å; E64-M244 HydrophobicContact CG-CE 3.89Å; E64-M244 HydrophobicContact CG-SD 4.32Å; E64-N247 PolarHBondContact OE1-ND2 2.87Å; E64-N247 VanDerWaalsContact OE1-ND2 3.17Å |
| 65 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 174.3 | -70.8 | 163.9 | 0 | 0 | 0 | 110.7 | W61 T62 M68 I69 M208 I216 I219 I235 T239 | W61-I65 HydrophobicContact CG-CD1 4.25Å; W61-I65 WeakPolarHBondContact O-CD1 3.44Å; W61-I65 VanDerWaalsContact O-CG1 3.32Å; W61-I65 WeakPolarHBondContact O-CG1 3.25Å; W61-I65 PolarHBondContact O-N 2.85Å; T62-I65 PolarHBondContact O-N 2.96Å; I65-M68 PolarHBondContact O-N 2.91Å; I65-I69 HydrophobicContact CG2-CD1 3.68Å; I65-I69 HydrophobicContact CG2-CG1 4.44Å; I65-I69 VanDerWaalsContact O-CG1 3.26Å; I65-I69 WeakPolarHBondContact O-CG1 3.24Å; I65-I69 PolarHBondContact O-N 2.89Å; I65-M208 HydrophobicContact CD1-CE 3.32Å; I65-M208 HydrophobicContact CD1-SD 4.25Å; I65-I216 HydrophobicContact CD1-CD1 4.32Å; I65-I216 HydrophobicContact CD1-CG1 4.08Å; I65-I216 HydrophobicContact CG1-CD1 4.41Å; I65-I216 HydrophobicContact CG1-CG1 4.35Å; I65-I216 HydrophobicContact CG2-CG1 3.9Å; I65-I216 HydrophobicContact CG2-CG2 4.4Å; I65-I219 HydrophobicContact CG2-CD1 3.83Å; I65-I235 HydrophobicContact CG2-CG2 4.42Å; I65-T239 HydrophobicContact CG1-CG2 3.71Å |
| 66 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | -178.9 | 166.6 | 0 | 0 | 0 | 0 | 111.3 | L49 I51 T62 Q63 M68 I69 Q70 T116 I138 I219 L223 | L49-V66 HydrophobicContact CD2-CG1 3.41Å; L49-V66 VanDerWaalsContact CD2-CG1 3.41Å; L49-V66 HydrophobicContact CD2-CG2 4.48Å; I51-V66 HydrophobicContact CD1-CB 4.16Å; I51-V66 HydrophobicContact CD1-CG1 4.34Å; I51-V66 HydrophobicContact CD1-CG2 4.06Å; T62-V66 HydrophobicContact CG2-CG2 4.32Å; T62-V66 WeakPolarHBondContact O-CB 3.28Å; T62-V66 VanDerWaalsContact O-CG2 3.24Å; T62-V66 WeakPolarHBondContact O-CG2 3.29Å; T62-V66 PolarHBondContact O-N 2.8Å; Q63-V66 PolarHBondContact O-N 2.8Å; V66-M68 VanDerWaalsContact C-N 3.32Å; V66-M68 PolarHBondContact O-N 3.41Å; V66-I69 PolarHBondContact O-N 3.29Å; V66-Q70 HydrophobicContact CG1-CG 4.38Å; V66-Q70 WeakPolarHBondContact O-CB 3.4Å; V66-Q70 WeakPolarHBondContact O-CG 3.24Å; V66-Q70 PolarHBondContact O-N 2.75Å; V66-T116 HydrophobicContact CG1-CG2 3.94Å; V66-I138 HydrophobicContact CG2-CD1 3.66Å; V66-I219 HydrophobicContact CG2-CG2 4.07Å; V66-L223 HydrophobicContact CG1-CD1 4.25Å; V66-L223 HydrophobicContact CG2-CD1 4.38Å |
| 67 | D | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.2 | -39.8 | 179.2 | -165 | 57 | 0 | 0 | 0 | 111 | Q63 E64 Q70 H71 C78 R80 R86 | Q63-D67 WeakPolarHBondContact O-CB 3.39Å; Q63-D67 PolarHBondContact O-N 3.27Å; E64-D67 PolarHBondContact O-N 3.24Å; D67-Q70 PolarHBondContact O-N 2.75Å; D67-H71 WeakPolarHBondContact O-CB 3.36Å; D67-H71 PolarHBondContact O-N 2.67Å; D67-H71 VanDerWaalsContact O-N 3.08Å; D67-H71 PolarHBondContact O-ND1 3.06Å; D67-H71 IonicContact OD1-CE1 2.67Å; D67-H71 PolarHBondContact OD1-CE1 3.14Å; D67-H71 IonicContact OD1-ND1 2.87Å; D67-H71 PolarHBondContact OD1-ND1 3.27Å; D67-C78 WeakPolarHBondContact OD2-CA 3.48Å; D67-R80 IonicContact OD1-CZ 2.74Å; D67-R80 IonicContact OD1-NH1 3.96Å; D67-R80 PolarHBondContact OD1-NH1 3.19Å; D67-R80 IonicContact OD1-NH2 3.66Å; D67-R80 PolarHBondContact OD1-NH2 3.43Å; D67-R80 IonicContact OD2-CZ 3.43Å; D67-R80 IonicContact OD2-NH1 3.4Å; D67-R80 PolarHBondContact OD2-NH1 3.15Å; D67-R80 IonicContact OD2-NH2 3.61Å; D67-R86 VanDerWaalsContact CG-NH1 3.34Å; D67-R86 WeakPolarHBondContact OD2-CD 3.48Å; D67-R86 IonicContact OD2-CZ 2.69Å; D67-R86 IonicContact OD2-NE 3.55Å; D67-R86 IonicContact OD2-NH1 2.81Å; D67-R86 PolarHBondContact OD2-NH1 3.41Å |
| 68 | M | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 174.2 | -70.6 | -165.5 | 70.3 | 0 | 0 | 112.7 | E64 I65 V66 H71 N72 A73 I75 C78 I235 H238 T239 | E64-M68 WeakPolarHBondContact O-CB 3.46Å; E64-M68 VanDerWaalsContact O-CG 3.29Å; E64-M68 WeakPolarHBondContact O-CG 3.07Å; E64-M68 PolarHBondContact O-N 3.32Å; I65-M68 PolarHBondContact O-N 2.91Å; V66-M68 VanDerWaalsContact C-N 3.32Å; V66-M68 PolarHBondContact O-N 3.41Å; M68-H71 CarbonylContact O-C 3.51Å; M68-H71 PolarHBondContact O-N 2.88Å; M68-N72 PolarHBondContact O-N 3.27Å; M68-N72 VanDerWaalsContact O-N 3.1Å; M68-A73 HydrophobicContact CE-CB 3.75Å; M68-A73 PolarHBondContact O-N 3.26Å; M68-I75 HydrophobicContact CE-CD1 3.68Å; M68-C78 HydrophobicContact CG-CB 4.32Å; M68-I235 HydrophobicContact CB-CG1 3.89Å; M68-I235 HydrophobicContact CB-CG2 4.44Å; M68-I235 HydrophobicContact CE-CG1 4.23Å; M68-H238 HydrophobicContact CE-CB 3.74Å; M68-H238 HydrophobicContact SD-CB 3.64Å; M68-T239 HydrophobicContact SD-CG2 3.68Å |
| 69 | I | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 174.4 | -69.6 | 163.9 | 0 | 0 | 0 | 110.5 | I65 V66 H71 N72 I216 I219 M220 L223 K225 I235 | I65-I69 HydrophobicContact CG2-CD1 3.68Å; I65-I69 HydrophobicContact CG2-CG1 4.44Å; I65-I69 VanDerWaalsContact O-CG1 3.26Å; I65-I69 WeakPolarHBondContact O-CG1 3.24Å; I65-I69 PolarHBondContact O-N 2.89Å; V66-I69 PolarHBondContact O-N 3.29Å; I69-H71 PolarHBondContact O-N 3.1Å; I69-N72 PolarHBondContact O-N 2.97Å; I69-I216 HydrophobicContact CD1-CG2 4.32Å; I69-I219 HydrophobicContact CD1-CB 4.08Å; I69-I219 HydrophobicContact CD1-CG2 3.55Å; I69-M220 HydrophobicContact CD1-CG 3.71Å; I69-M220 HydrophobicContact CG1-CG 3.9Å; I69-M220 HydrophobicContact CG2-CG 4.17Å; I69-L223 HydrophobicContact CB-CD1 4.45Å; I69-L223 HydrophobicContact CG2-CD1 4.02Å; I69-K225 HydrophobicContact CG2-CB 3.82Å; I69-K225 HydrophobicContact CG2-CG 3.91Å; I69-I235 HydrophobicContact CG1-CD1 3.69Å |
| 70 | Q | 96.8 | Very high | 97.4 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 23% | 0.229 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -29.5 | -177.9 | -74.5 | 176.7 | -16.8 | 0 | 0 | 112.7 | V66 D67 T116 | V66-Q70 HydrophobicContact CG1-CG 4.38Å; V66-Q70 WeakPolarHBondContact O-CB 3.4Å; V66-Q70 WeakPolarHBondContact O-CG 3.24Å; V66-Q70 PolarHBondContact O-N 2.75Å; D67-Q70 PolarHBondContact O-N 2.75Å; Q70-T116 PolarHBondContact NE2-OG1 2.78Å; Q70-T116 PolarHBondContact OE1-OG1 2.97Å |
| 71 | H | 96.7 | Very high | 97.2 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 17.4 | -179.1 | -60.9 | 95.6 | 0 | 0 | 0 | 114 | D67 M68 I69 A73 D74 K77 | D67-H71 WeakPolarHBondContact O-CB 3.36Å; D67-H71 PolarHBondContact O-N 2.67Å; D67-H71 VanDerWaalsContact O-N 3.08Å; D67-H71 PolarHBondContact O-ND1 3.06Å; D67-H71 IonicContact OD1-CE1 2.67Å; D67-H71 PolarHBondContact OD1-CE1 3.14Å; D67-H71 IonicContact OD1-ND1 2.87Å; D67-H71 PolarHBondContact OD1-ND1 3.27Å; M68-H71 CarbonylContact O-C 3.51Å; M68-H71 PolarHBondContact O-N 2.88Å; I69-H71 PolarHBondContact O-N 3.1Å; H71-A73 VanDerWaalsContact C-N 3.25Å; H71-A73 PolarHBondContact O-N 3.18Å; H71-D74 HydrophobicContact CB-CB 4.41Å; H71-D74 WeakPolarHBondContact O-CB 3.5Å; H71-D74 PolarHBondContact O-N 3.35Å; H71-K77 HydrophobicContact CB-CB 4.1Å; H71-K77 HydrophobicContact CB-CD 4.36Å |
| 72 | N | 96.1 | Very high | 97 | Very high | 95 Ų | 95 | 39.9 Ų | 39.9 | 51% | 0.508 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 42.1 | 178.6 | -58.4 | -37.7 | 0 | 0 | 0 | 113.4 | M68 I69 D74 | M68-N72 PolarHBondContact O-N 3.27Å; M68-N72 VanDerWaalsContact O-N 3.1Å; I69-N72 PolarHBondContact O-N 2.97Å; N72-D74 PolarHBondContact O-N 2.88Å |
| 73 | A | 95.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 21.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | M68 H71 I75 V231 Q234 I235 | M68-A73 HydrophobicContact CE-CB 3.75Å; M68-A73 PolarHBondContact O-N 3.26Å; H71-A73 VanDerWaalsContact C-N 3.25Å; H71-A73 PolarHBondContact O-N 3.18Å; A73-I75 PolarHBondContact O-N 3.48Å; A73-V231 HydrophobicContact CB-CG1 3.87Å; A73-Q234 HydrophobicContact CB-CB 3.68Å; A73-I235 HydrophobicContact CB-CG1 4.2Å |
| 74 | D | 96.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | trans | -64.6 | 101.2 | 170.6 | -176.7 | -26.3 | 0 | 0 | 0 | 110.4 | H71 N72 Q76 K77 C78 | H71-D74 HydrophobicContact CB-CB 4.41Å; H71-D74 WeakPolarHBondContact O-CB 3.5Å; H71-D74 PolarHBondContact O-N 3.35Å; N72-D74 PolarHBondContact O-N 2.88Å; D74-Q76 VanDerWaalsContact C-N 3.26Å; D74-Q76 PolarHBondContact O-N 3.28Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.34Å; D74-Q76 PolarHBondContact OD1-N 2.89Å; D74-K77 HydrophobicContact CB-CB 4.16Å; D74-K77 HydrophobicContact CB-CD 4.1Å; D74-K77 HydrophobicContact CB-CG 4.23Å; D74-K77 PolarHBondContact O-N 3.48Å; D74-K77 PolarHBondContact OD1-N 3.21Å; D74-K77 VanDerWaalsContact OD1-N 3.11Å; D74-K77 VanDerWaalsContact OD2-CD 3.29Å; D74-K77 WeakPolarHBondContact OD2-CD 3.26Å; D74-K77 WeakPolarHBondContact OD2-CE 3.16Å; D74-K77 WeakPolarHBondContact OD2-CG 3.47Å; D74-K77 IonicContact OD2-NZ 3.54Å; D74-C78 PolarHBondContact O-N 3.35Å; D74-C78 PolarHBondContact O-SG 3.26Å | ||
| 75 | I | 95.1 | Very high | 96.3 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -32.5 | -175.4 | -56.9 | -56.8 | 0 | 0 | 0 | 112.2 | M68 A73 C78 R79 H238 | M68-I75 HydrophobicContact CE-CD1 3.68Å; A73-I75 PolarHBondContact O-N 3.48Å; I75-C78 PolarHBondContact O-N 3.34Å; I75-R79 HydrophobicContact CG2-CG 4.35Å; I75-R79 WeakPolarHBondContact O-CB 3.35Å; I75-R79 WeakPolarHBondContact O-CG 3.4Å; I75-R79 PolarHBondContact O-N 2.98Å; I75-H238 HydrophobicContact CD1-CB 4.4Å; I75-H238 VanDerWaalsContact CD1-CD2 3.46Å; I75-H238 WeakPolarHBondContact CD1-CD2 3.31Å |
| 76 | Q | 96.6 | Very high | 96.1 | Very high | 153 Ų | 153 | 43.6 Ų | 43.6 | 72% | 0.715 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -68.1 | -43.2 | 178.8 | -64.4 | -58.9 | -29.8 | 0 | 0 | 110.1 | D74 R79 R80 | D74-Q76 VanDerWaalsContact C-N 3.26Å; D74-Q76 PolarHBondContact O-N 3.28Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.34Å; D74-Q76 PolarHBondContact OD1-N 2.89Å; Q76-R79 CarbonylContact O-C 3.59Å; Q76-R79 PolarHBondContact O-N 3.5Å; Q76-R80 PolarHBondContact O-N 2.95Å; Q76-R80 VanDerWaalsContact O-N 3.1Å |
| 77 | K | 96.9 | Very high | 96.1 | Very high | 105 Ų | 105 | 43.7 Ų | 43.7 | 46% | 0.457 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 174.2 | -68 | -179.3 | -170.6 | 164.6 | 0 | 111.8 | H71 D74 R79 R80 | H71-K77 HydrophobicContact CB-CB 4.1Å; H71-K77 HydrophobicContact CB-CD 4.36Å; D74-K77 HydrophobicContact CB-CB 4.16Å; D74-K77 HydrophobicContact CB-CD 4.1Å; D74-K77 HydrophobicContact CB-CG 4.23Å; D74-K77 PolarHBondContact O-N 3.48Å; D74-K77 PolarHBondContact OD1-N 3.21Å; D74-K77 VanDerWaalsContact OD1-N 3.11Å; D74-K77 VanDerWaalsContact OD2-CD 3.29Å; D74-K77 WeakPolarHBondContact OD2-CD 3.26Å; D74-K77 WeakPolarHBondContact OD2-CE 3.16Å; D74-K77 WeakPolarHBondContact OD2-CG 3.47Å; D74-K77 IonicContact OD2-NZ 3.54Å; K77-R79 PolarHBondContact O-N 3.48Å; K77-R80 VanDerWaalsContact O-CB 3.29Å; K77-R80 WeakPolarHBondContact O-CB 3.48Å; K77-R80 VanDerWaalsContact O-CD 3.25Å; K77-R80 WeakPolarHBondContact O-CD 3.27Å; K77-R80 WeakPolarHBondContact O-CG 3.28Å; K77-R80 PolarHBondContact O-N 2.95Å; K77-R80 PolarHBondContact O-NH1 3.05Å |
| 78 | C | 96.3 | Very high | 96 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.6 | -18.8 | 179.1 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | D67 M68 D74 I75 R86 | D67-C78 WeakPolarHBondContact OD2-CA 3.48Å; M68-C78 HydrophobicContact CG-CB 4.32Å; D74-C78 PolarHBondContact O-N 3.35Å; D74-C78 PolarHBondContact O-SG 3.26Å; I75-C78 PolarHBondContact O-N 3.34Å; C78-R86 VanDerWaalsContact O-CZ 3.22Å; C78-R86 PolarHBondContact O-NE 2.85Å |
| 79 | R | 96.3 | Very high | 96 | Very high | 112 Ų | 112 | 44.1 Ų | 44.1 | 42% | 0.423 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 14.1 | 176.3 | -66 | -179.7 | 176.3 | 177 | -2.4 | 113.8 | I75 Q76 K77 T81 M249 | I75-R79 HydrophobicContact CG2-CG 4.35Å; I75-R79 WeakPolarHBondContact O-CB 3.35Å; I75-R79 WeakPolarHBondContact O-CG 3.4Å; I75-R79 PolarHBondContact O-N 2.98Å; Q76-R79 CarbonylContact O-C 3.59Å; Q76-R79 PolarHBondContact O-N 3.5Å; K77-R79 PolarHBondContact O-N 3.48Å; R79-T81 PolarHBondContact O-N 2.79Å; R79-T81 VanDerWaalsContact O-N 3.17Å; R79-M249 HydrophobicContact CB-CG 4Å; R79-M249 HydrophobicContact CG-CG 4.2Å |
| 80 | R | 96.2 | Very high | 95.9 | Very high | 117 Ų | 117 | 44.1 Ų | 44.1 | 44% | 0.442 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -56.1 | -32.2 | 179.5 | 68.9 | -168.2 | 174.6 | -83.9 | 6.1 | 113.2 | D67 Q76 K77 R86 | D67-R80 IonicContact OD1-CZ 2.74Å; D67-R80 IonicContact OD1-NH1 3.96Å; D67-R80 PolarHBondContact OD1-NH1 3.19Å; D67-R80 IonicContact OD1-NH2 3.66Å; D67-R80 PolarHBondContact OD1-NH2 3.43Å; D67-R80 IonicContact OD2-CZ 3.43Å; D67-R80 IonicContact OD2-NH1 3.4Å; D67-R80 PolarHBondContact OD2-NH1 3.15Å; D67-R80 IonicContact OD2-NH2 3.61Å; Q76-R80 PolarHBondContact O-N 2.95Å; Q76-R80 VanDerWaalsContact O-N 3.1Å; K77-R80 VanDerWaalsContact O-CB 3.29Å; K77-R80 WeakPolarHBondContact O-CB 3.48Å; K77-R80 VanDerWaalsContact O-CD 3.25Å; K77-R80 WeakPolarHBondContact O-CD 3.27Å; K77-R80 WeakPolarHBondContact O-CG 3.28Å; K77-R80 PolarHBondContact O-N 2.95Å; K77-R80 PolarHBondContact O-NH1 3.05Å; R80-R86 HydrophobicContact CG-CG 4.21Å; R80-R86 VanDerWaalsContact NH1-CD 3.31Å |
| 81 | T | 95.3 | Very high | 95.9 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 29% | 0.288 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -164.5 | 177.9 | 173.9 | -166.1 | 0 | 0 | 0 | 0 | 109.7 | R79 K85 R86 | R79-T81 PolarHBondContact O-N 2.79Å; R79-T81 VanDerWaalsContact O-N 3.17Å; T81-K85 HydrophobicContact CG2-CB 3.57Å; T81-K85 WeakPolarHBondContact OG1-CD 3.5Å; T81-R86 HydrophobicContact CG2-CG 3.59Å; T81-R86 WeakPolarHBondContact O-CD 3.27Å; T81-R86 PolarHBondContact O-NE 3.05Å |
| 82 | S | 95 | Very high | 95.6 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | trans | -63.5 | 154.5 | 179.2 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | Y84 K85 R86 M249 D255 | S82-Y84 PolarHBondContact O-N 3.48Å; S82-K85 PolarHBondContact O-N 3.17Å; S82-R86 WeakPolarHBondContact O-CG 3.48Å; S82-R86 PolarHBondContact O-N 3.44Å; S82-M249 CarbonylContact C-O 3.47Å; S82-D255 VanDerWaalsContact CB-OD1 3.27Å; S82-D255 WeakPolarHBondContact CB-OD1 3.44Å; S82-D255 WeakPolarHBondContact CB-OD2 3.47Å; S82-D255 VanDerWaalsContact OG-CG 3.28Å; S82-D255 PolarHBondContact OG-OD1 3.5Å; S82-D255 PolarHBondContact OG-OD2 3.31Å | ||
| 83 | T | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.2 | -33 | -179.1 | -166.1 | 0 | 0 | 0 | 0 | 112.3 | T60 K85 R86 H87 M249 Y252 | T60-T83 HydrophobicContact CG2-CG2 4.11Å; T83-K85 VanDerWaalsContact C-N 3.33Å; T83-K85 PolarHBondContact O-N 3.35Å; T83-R86 PolarHBondContact O-N 2.75Å; T83-H87 WeakPolarHBondContact O-CB 3.41Å; T83-H87 PolarHBondContact O-N 2.99Å; T83-H87 PolarHBondContact O-ND1 2.67Å; T83-H87 PolarHBondContact OG1-ND1 2.88Å; T83-M249 WeakPolarHBondContact CB-O 3.36Å; T83-M249 PolarHBondContact N-O 2.6Å; T83-Y252 HydrophobicContact CG2-CD2 4.28Å; T83-Y252 HydrophobicContact CG2-CE1 4.44Å; T83-Y252 HydrophobicContact CG2-CE2 3.54Å |
| 84 | Y | 91.3 | Very high | 94.1 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 6% | 0.059 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 174.7 | 175.1 | -110.3 | 0 | 0 | 0 | 112.4 | S82 H87 F89 Y102 L107 F256 | S82-Y84 PolarHBondContact O-N 3.48Å; Y84-H87 CarbonylContact O-C 3.52Å; Y84-F89 HydrophobicContact CE2-CB 4.3Å; Y84-Y102 PolarHBondContact OH-O 3.12Å; Y84-Y102 VanDerWaalsContact OH-O 3.09Å; Y84-L107 HydrophobicContact CD1-CD1 4.38Å; Y84-L107 HydrophobicContact CE1-CD1 3.75Å; Y84-F256 HydrophobicContact CD1-CE2 4.42Å; Y84-F256 HydrophobicContact CD1-CZ 4.13Å; Y84-F256 HydrophobicContact CD2-CE2 4.16Å; Y84-F256 AromaticContact CD2-CZ 3.74Å; Y84-F256 HydrophobicContact CD2-CZ 3.74Å; Y84-F256 HydrophobicContact CE1-CZ 4.17Å; Y84-F256 AromaticContact CE2-CZ 3.76Å; Y84-F256 HydrophobicContact CE2-CZ 3.76Å; Y84-F256 HydrophobicContact CG-CE2 4.06Å; Y84-F256 AromaticContact CG-CZ 3.93Å; Y84-F256 HydrophobicContact CG-CZ 3.93Å; Y84-F256 AromaticContact CZ-CZ 3.99Å |
| 85 | K | 93.7 | Very high | 92.7 | Very high | 66 Ų | 66 | 39 Ų | 39 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -81.5 | -31 | 179.3 | -68.4 | 173.9 | -177.6 | 170.4 | 0 | 112.4 | T81 S82 T83 H87 Q100 M111 | T81-K85 HydrophobicContact CG2-CB 3.57Å; T81-K85 WeakPolarHBondContact OG1-CD 3.5Å; S82-K85 PolarHBondContact O-N 3.17Å; T83-K85 VanDerWaalsContact C-N 3.33Å; T83-K85 PolarHBondContact O-N 3.35Å; K85-H87 VanDerWaalsContact C-N 3.31Å; K85-Q100 VanDerWaalsContact NZ-OE1 3.12Å; K85-M111 WeakPolarHBondContact O-CE 3.42Å |
| 86 | R | 96.6 | Very high | 91 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70 | -28.8 | 173.8 | -69.7 | -173.8 | -75.1 | 126.6 | 0.3 | 112.9 | E64 D67 C78 R80 T81 S82 T83 M111 M249 | E64-R86 IonicContact OE1-NH2 2.75Å; E64-R86 IonicContact OE2-CZ 2.63Å; E64-R86 VanDerWaalsContact OE2-CZ 3.24Å; E64-R86 IonicContact OE2-NH1 3.19Å; E64-R86 PolarHBondContact OE2-NH1 3.42Å; E64-R86 IonicContact OE2-NH2 3.91Å; E64-R86 PolarHBondContact OE2-NH2 2.83Å; D67-R86 VanDerWaalsContact CG-NH1 3.34Å; D67-R86 WeakPolarHBondContact OD2-CD 3.48Å; D67-R86 IonicContact OD2-CZ 2.69Å; D67-R86 IonicContact OD2-NE 3.55Å; D67-R86 IonicContact OD2-NH1 2.81Å; D67-R86 PolarHBondContact OD2-NH1 3.41Å; C78-R86 VanDerWaalsContact O-CZ 3.22Å; C78-R86 PolarHBondContact O-NE 2.85Å; R80-R86 HydrophobicContact CG-CG 4.21Å; R80-R86 VanDerWaalsContact NH1-CD 3.31Å; T81-R86 HydrophobicContact CG2-CG 3.59Å; T81-R86 WeakPolarHBondContact O-CD 3.27Å; T81-R86 PolarHBondContact O-NE 3.05Å; S82-R86 WeakPolarHBondContact O-CG 3.48Å; S82-R86 PolarHBondContact O-N 3.44Å; T83-R86 PolarHBondContact O-N 2.75Å; R86-M111 WeakPolarHBondContact O-CE 3.48Å; R86-M249 PolarHBondContact NH2-O 3.27Å |
| 87 | H | 97.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -134.6 | 80 | -174.9 | -53.8 | 102.9 | 0 | 0 | 0 | 111 | Q63 T83 Y84 K85 F89 T116 | Q63-H87 HydrophobicContact CG-CB 4.15Å; Q63-H87 PolarHBondContact O-CE1 3.01Å; Q63-H87 PolarHBondContact O-NE2 3.05Å; T83-H87 WeakPolarHBondContact O-CB 3.41Å; T83-H87 PolarHBondContact O-N 2.99Å; T83-H87 PolarHBondContact O-ND1 2.67Å; T83-H87 PolarHBondContact OG1-ND1 2.88Å; Y84-H87 CarbonylContact O-C 3.52Å; K85-H87 VanDerWaalsContact C-N 3.31Å; H87-F89 PolarHBondContact O-N 3.45Å; H87-T116 WeakPolarHBondContact CA-O 3.24Å; H87-T116 VanDerWaalsContact CD2-CG2 3.48Å; H87-T116 WeakPolarHBondContact CD2-CG2 3.39Å |
| 88 | P | 96.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -50.8 | 130.3 | -176.4 | -28.3 | 35.4 | 0 | 0 | 0 | 112.1 | I90 G104 L107 A108 M111 L117 K118 | P88-I90 PolarHBondContact O-N 3.26Å; P88-G104 WeakPolarHBondContact CB-O 3.07Å; P88-L107 HydrophobicContact CB-CB 3.88Å; P88-L107 HydrophobicContact CG-CB 3.88Å; P88-A108 HydrophobicContact CB-CB 3.92Å; P88-A108 HydrophobicContact CG-CB 4.33Å; P88-M111 VanDerWaalsContact CD-CE 3.49Å; P88-M111 HydrophobicContact CG-CE 3.61Å; P88-M111 HydrophobicContact CG-SD 4.27Å; P88-L117 HydrophobicContact CB-CD2 4.07Å; P88-L117 HydrophobicContact CG-CD2 4.14Å; P88-K118 PolarHBondContact O-N 3.5Å | ||
| 89 | F | 97.1 | Very high | 85.3 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -90.4 | 93.9 | -179.5 | -173.3 | 10 | 0 | 0 | 0 | 109.3 | Y84 H87 E91 W92 G104 K118 H120 W181 | Y84-F89 HydrophobicContact CE2-CB 4.3Å; H87-F89 PolarHBondContact O-N 3.45Å; F89-E91 VanDerWaalsContact C-N 3.33Å; F89-E91 WeakPolarHBondContact CD1-OE2 3.3Å; F89-E91 HydrophobicContact CE1-CG 4.07Å; F89-E91 WeakPolarHBondContact CE1-OE1 3.47Å; F89-E91 VanDerWaalsContact CE1-OE2 3.3Å; F89-E91 WeakPolarHBondContact CE1-OE2 3.3Å; F89-E91 HydrophobicContact CZ-CG 4.45Å; F89-E91 PolarHBondContact O-N 2.92Å; F89-E91 VanDerWaalsContact O-N 3.13Å; F89-W92 HydrophobicContact CB-CB 3.85Å; F89-W92 HydrophobicContact CD1-CB 4.42Å; F89-W92 HydrophobicContact CD2-CB 3.42Å; F89-W92 VanDerWaalsContact CD2-CB 3.42Å; F89-W92 AromaticContact CD2-CD2 3.95Å; F89-W92 HydrophobicContact CD2-CD2 3.95Å; F89-W92 HydrophobicContact CD2-CE3 4.12Å; F89-W92 AromaticContact CD2-CG 3.69Å; F89-W92 HydrophobicContact CD2-CG 3.69Å; F89-W92 HydrophobicContact CE2-CB 3.99Å; F89-W92 AromaticContact CE2-CD2 3.88Å; F89-W92 HydrophobicContact CE2-CD2 3.88Å; F89-W92 AromaticContact CE2-CE3 3.57Å; F89-W92 HydrophobicContact CE2-CE3 3.57Å; F89-W92 HydrophobicContact CE2-CG 4.1Å; F89-W92 HydrophobicContact CE2-CZ3 4.3Å; F89-W92 HydrophobicContact CG-CB 3.64Å; F89-W92 HydrophobicContact CG-CG 4.39Å; F89-W92 HydrophobicContact CZ-CE3 4.27Å; F89-W92 VanDerWaalsContact O-CB 3.31Å; F89-W92 WeakPolarHBondContact O-CB 3.22Å; F89-W92 PolarHBondContact O-N 3.45Å; F89-G104 VanDerWaalsContact O-CA 3.3Å; F89-G104 WeakPolarHBondContact O-CA 3.22Å; F89-K118 WeakPolarHBondContact CA-O 3.47Å; F89-K118 HydrophobicContact CB-CD 4.15Å; F89-K118 HydrophobicContact CD1-CB 4.43Å; F89-K118 HydrophobicContact CD1-CD 3.92Å; F89-K118 HydrophobicContact CD1-CG 3.91Å; F89-K118 HydrophobicContact CD2-CD 4.34Å; F89-K118 VanDerWaalsContact CD2-NZ 3.34Å; F89-K118 HydrophobicContact CE1-CD 4.4Å; F89-K118 HydrophobicContact CE1-CG 4.38Å; F89-K118 HydrophobicContact CG-CD 3.88Å; F89-K118 HydrophobicContact CG-CG 4.33Å; F89-H120 HydrophobicContact CE1-CB 4.22Å; F89-H120 AromaticContact CE1-CD2 3.93Å; F89-H120 HydrophobicContact CZ-CB 4.13Å; F89-H120 AromaticContact CZ-CD2 3.31Å; F89-H120 WeakPolarHBondContact CZ-CD2 3.43Å; F89-H120 AromaticContact CZ-CG 3.83Å; F89-W181 HydrophobicContact CE2-CZ2 4.16Å; F89-W181 HydrophobicContact CZ-CH2 4.42Å; F89-W181 AromaticContact CZ-CZ2 3.66Å; F89-W181 HydrophobicContact CZ-CZ2 3.66Å |
| 90 | I | 96.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -41.5 | -157.1 | 64 | -179.4 | 0 | 0 | 0 | 114.4 | L50 P88 L105 L117 K118 P127 F130 | L50-I90 HydrophobicContact CD1-CD1 4.34Å; P88-I90 PolarHBondContact O-N 3.26Å; I90-L105 VanDerWaalsContact O-CD2 3.27Å; I90-L105 WeakPolarHBondContact O-CD2 3.32Å; I90-L105 VanDerWaalsContact O-CG 3.32Å; I90-L105 WeakPolarHBondContact O-CG 3.41Å; I90-L117 HydrophobicContact CG2-CB 3.96Å; I90-L117 HydrophobicContact CG2-CD1 4.27Å; I90-L117 HydrophobicContact CG2-CD2 4.45Å; I90-L117 HydrophobicContact CG2-CG 4.45Å; I90-K118 PolarHBondContact N-O 2.79Å; I90-P127 HydrophobicContact CD1-CG 4.24Å; I90-F130 HydrophobicContact CD1-CE2 3.91Å; I90-F130 HydrophobicContact CD1-CZ 4.34Å |
| 91 | E | 95.9 | Very high | 81.8 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -4.7 | -179.1 | 71.8 | -92 | -148.9 | 0 | 0 | 113.6 | I32 V39 F89 F93 T119 H120 L121 W181 | I32-E91 HydrophobicContact CD1-CG 4.39Å; I32-E91 VanDerWaalsContact CG1-O 3.25Å; I32-E91 WeakPolarHBondContact CG1-O 3.35Å; I32-E91 HydrophobicContact CG2-CB 4.23Å; V39-E91 HydrophobicContact CG1-CB 3.92Å; V39-E91 HydrophobicContact CG2-CB 4.32Å; F89-E91 VanDerWaalsContact C-N 3.33Å; F89-E91 WeakPolarHBondContact CD1-OE2 3.3Å; F89-E91 HydrophobicContact CE1-CG 4.07Å; F89-E91 WeakPolarHBondContact CE1-OE1 3.47Å; F89-E91 VanDerWaalsContact CE1-OE2 3.3Å; F89-E91 WeakPolarHBondContact CE1-OE2 3.3Å; F89-E91 HydrophobicContact CZ-CG 4.45Å; F89-E91 PolarHBondContact O-N 2.92Å; F89-E91 VanDerWaalsContact O-N 3.13Å; E91-F93 PolarHBondContact O-N 3.22Å; E91-T119 VanDerWaalsContact CD-OG1 3.26Å; E91-T119 PolarHBondContact OE1-OG1 2.95Å; E91-T119 WeakPolarHBondContact OE2-CA 3.3Å; E91-T119 WeakPolarHBondContact OE2-CB 3.36Å; E91-T119 PolarHBondContact OE2-OG1 3.4Å; E91-H120 WeakPolarHBondContact OE1-CA 3.35Å; E91-H120 PolarHBondContact OE1-N 2.91Å; E91-L121 HydrophobicContact CB-CD1 4.14Å; E91-L121 HydrophobicContact CB-CD2 4.28Å; E91-L121 HydrophobicContact CB-CG 4.29Å; E91-L121 HydrophobicContact CG-CD2 4.12Å; E91-L121 HydrophobicContact CG-CG 4.14Å; E91-L121 PolarHBondContact OE1-N 3.48Å; E91-W181 PolarHBondContact OE1-NE1 3.32Å |
| 92 | W | 91.4 | Very high | 81 | Confident | 15 Ų | 15 | 44.5 Ų | 44.5 | 6% | 0.057 | 23% | 0.231 | C | C | . | . | trans | -79.6 | 124 | -173.7 | -162.5 | -108.9 | 0 | 0 | 0 | 111.7 | I32 F89 G104 I160 M161 W181 F256 | I32-W92 HydrophobicContact CD1-CE3 4.12Å; I32-W92 HydrophobicContact CD1-CZ3 4.36Å; F89-W92 HydrophobicContact CB-CB 3.85Å; F89-W92 HydrophobicContact CD1-CB 4.42Å; F89-W92 HydrophobicContact CD2-CB 3.42Å; F89-W92 VanDerWaalsContact CD2-CB 3.42Å; F89-W92 AromaticContact CD2-CD2 3.95Å; F89-W92 HydrophobicContact CD2-CD2 3.95Å; F89-W92 HydrophobicContact CD2-CE3 4.12Å; F89-W92 AromaticContact CD2-CG 3.69Å; F89-W92 HydrophobicContact CD2-CG 3.69Å; F89-W92 HydrophobicContact CE2-CB 3.99Å; F89-W92 AromaticContact CE2-CD2 3.88Å; F89-W92 HydrophobicContact CE2-CD2 3.88Å; F89-W92 AromaticContact CE2-CE3 3.57Å; F89-W92 HydrophobicContact CE2-CE3 3.57Å; F89-W92 HydrophobicContact CE2-CG 4.1Å; F89-W92 HydrophobicContact CE2-CZ3 4.3Å; F89-W92 HydrophobicContact CG-CB 3.64Å; F89-W92 HydrophobicContact CG-CG 4.39Å; F89-W92 HydrophobicContact CZ-CE3 4.27Å; F89-W92 VanDerWaalsContact O-CB 3.31Å; F89-W92 WeakPolarHBondContact O-CB 3.22Å; F89-W92 PolarHBondContact O-N 3.45Å; W92-G104 PolarHBondContact O-N 3.26Å; W92-I160 HydrophobicContact CH2-CD1 4.27Å; W92-I160 HydrophobicContact CH2-CG1 4.45Å; W92-I160 HydrophobicContact CZ2-CD1 3.36Å; W92-I160 HydrophobicContact CZ2-CG1 3.95Å; W92-M161 HydrophobicContact CH2-SD 4.28Å; W92-W181 HydrophobicContact CE3-CZ2 4.32Å; W92-W181 HydrophobicContact CZ3-CH2 4.1Å; W92-W181 AromaticContact CZ3-CZ2 3.96Å; W92-W181 HydrophobicContact CZ3-CZ2 3.96Å; W92-F256 AromaticContact NE1-CE1 3.89Å | ||
| 93 | F | 85.1 | Confident | 80.6 | Confident | 52 Ų | 52 | 44.8 Ų | 44.8 | 23% | 0.228 | 23% | 0.233 | C | C | . | . | trans | -127.7 | 126.5 | 177.6 | -171 | -93.8 | 0 | 0 | 0 | 110 | A31 T35 E91 | A31-F93 HydrophobicContact CB-CD1 4.18Å; T35-F93 HydrophobicContact CG2-CD1 4.44Å; T35-F93 HydrophobicContact CG2-CD2 4.02Å; T35-F93 HydrophobicContact CG2-CE2 4.14Å; T35-F93 HydrophobicContact CG2-CG 4.19Å; T35-F93 HydrophobicContact CG2-CZ 4.39Å; E91-F93 PolarHBondContact O-N 3.22Å | ||
| 94 | L | 75.7 | Confident | 80.5 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | trans | -101.9 | 136.6 | 169.1 | -65.3 | -177.5 | 0 | 0 | 0 | 109.1 | A98 I160 F256 I259 | L94-A98 HydrophobicContact CB-CB 4.37Å; L94-A98 HydrophobicContact CD1-CB 4.41Å; L94-I160 HydrophobicContact CD2-CD1 3.23Å; L94-F256 HydrophobicContact CD1-CD1 4.15Å; L94-F256 HydrophobicContact CD1-CE1 3.88Å; L94-F256 HydrophobicContact CD2-CE1 4.5Å; L94-I259 HydrophobicContact CD1-CD1 4.42Å | ||
| 95 | P | 65.6 | Low | 80.6 | Confident | 67 Ų | 67 | 45 Ų | 45 | 44% | 0.435 | 24% | 0.235 | S | C | . | . | trans | -54.2 | 142.4 | 169.2 | -22.7 | 32.8 | 0 | 0 | 0 | 111.2 | S97 A98 | P95-S97 PolarHBondContact O-N 3Å; P95-A98 WeakPolarHBondContact O-CB 3.29Å; P95-A98 PolarHBondContact O-N 2.88Å | ||
| 96 | K | 60.5 | Low | 80.6 | Confident | 167 Ų | 167 | 46.2 Ų | 46.2 | 73% | 0.726 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19 | -173.9 | -71.1 | -173.2 | 176.5 | -176.6 | 0 | 114.9 | A98 S101 | K96-A98 PolarHBondContact O-N 2.97Å; K96-S101 PolarHBondContact O-OG 3.25Å |
| 97 | S | 58.4 | Low | 80.5 | Confident | 95 Ų | 95 | 47.5 Ų | 47.5 | 66% | 0.664 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -15.3 | 174.9 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | P95 | P95-S97 PolarHBondContact O-N 3Š|
| 98 | A | 59.4 | Low | 80.4 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -74.7 | 136.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L94 P95 K96 Q100 S101 I259 | L94-A98 HydrophobicContact CB-CB 4.37Å; L94-A98 HydrophobicContact CD1-CB 4.41Å; P95-A98 WeakPolarHBondContact O-CB 3.29Å; P95-A98 PolarHBondContact O-N 2.88Å; K96-A98 PolarHBondContact O-N 2.97Å; A98-Q100 PolarHBondContact O-N 3.38Å; A98-S101 WeakPolarHBondContact O-CB 3.41Å; A98-S101 PolarHBondContact O-N 3.34Å; A98-I259 HydrophobicContact CB-CD1 4.33Å |
| 99 | P | 52.6 | Low | 80.4 | Confident | 107 Ų | 107 | 52.2 Ų | 52.2 | 70% | 0.695 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 130.9 | 170.2 | -20.8 | 30.2 | 0 | 0 | 0 | 110.6 | ||
| 100 | Q | 55.1 | Low | 80.2 | Confident | 119 Ų | 119 | 55.7 Ų | 55.7 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 47.5 | -177.3 | -48.4 | 177.9 | 33.1 | 0 | 0 | 114.9 | K85 A98 Y102 | K85-Q100 VanDerWaalsContact NZ-OE1 3.12Å; A98-Q100 PolarHBondContact O-N 3.38Å; Q100-Y102 VanDerWaalsContact C-N 3.32Å; Q100-Y102 PolarHBondContact O-N 3.37Å |
| 101 | S | 63.7 | Low | 80.2 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | trans | -77.2 | 63 | -177.6 | 50.1 | 0 | 0 | 0 | 0 | 114.9 | K96 A98 | K96-S101 PolarHBondContact O-OG 3.25Å; A98-S101 WeakPolarHBondContact O-CB 3.41Å; A98-S101 PolarHBondContact O-N 3.34Å | ||
| 102 | Y | 77.1 | Confident | 80.3 | Confident | 142 Ų | 142 | 62.2 Ų | 62.2 | 56% | 0.557 | 34% | 0.341 | S | S | * | . | trans | -94.6 | 126.8 | 160.2 | -54.8 | -74.6 | 0 | 0 | 0 | 109.5 | Y84 Q100 L107 | Y84-Y102 PolarHBondContact OH-O 3.12Å; Y84-Y102 VanDerWaalsContact OH-O 3.09Å; Q100-Y102 VanDerWaalsContact C-N 3.32Å; Q100-Y102 PolarHBondContact O-N 3.37Å; Y102-L107 HydrophobicContact CG-CD2 4.35Å | ||
| 103 | S | 88.4 | Confident | 80.6 | Confident | 8 Ų | 8 | 64 Ų | 64 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | trans | -66.9 | 159 | 168.3 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | L105 E106 L107 | S103-L105 PolarHBondContact O-N 3.39Å; S103-E106 WeakPolarHBondContact CB-OE2 3.37Å; S103-E106 PolarHBondContact N-OE2 3.25Å; S103-E106 PolarHBondContact O-N 3.32Å; S103-E106 WeakPolarHBondContact OG-CB 3.19Å; S103-E106 VanDerWaalsContact OG-CD 3.29Å; S103-E106 VanDerWaalsContact OG-CG 3.25Å; S103-E106 WeakPolarHBondContact OG-CG 3.46Å; S103-E106 PolarHBondContact OG-N 3.2Å; S103-E106 PolarHBondContact OG-OE2 3.02Å; S103-L107 WeakPolarHBondContact O-CG 3.38Å; S103-L107 PolarHBondContact O-N 3.45Å; S103-L107 VanDerWaalsContact O-N 3.11Å | ||
| 104 | G | 92.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.4 | -34.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P88 F89 W92 A108 | P88-G104 WeakPolarHBondContact CB-O 3.07Å; F89-G104 VanDerWaalsContact O-CA 3.3Å; F89-G104 WeakPolarHBondContact O-CA 3.22Å; W92-G104 PolarHBondContact O-N 3.26Å; G104-A108 VanDerWaalsContact O-CB 3.27Å; G104-A108 WeakPolarHBondContact O-CB 3.48Å; G104-A108 PolarHBondContact O-N 2.92Å |
| 105 | L | 93.8 | Very high | 82.2 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 10% | 0.099 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65 | -47.7 | 176 | -63.7 | 179.1 | 0 | 0 | 0 | 111.9 | Q38 V39 F42 I90 S103 L107 A108 E109 | Q38-L105 HydrophobicContact CB-CD1 3.62Å; V39-L105 HydrophobicContact CG2-CD1 4.01Å; F42-L105 HydrophobicContact CB-CD2 4.18Å; F42-L105 HydrophobicContact CD2-CD2 3.65Å; F42-L105 HydrophobicContact CE2-CD2 4.39Å; F42-L105 HydrophobicContact CG-CD2 4.15Å; I90-L105 VanDerWaalsContact O-CD2 3.27Å; I90-L105 WeakPolarHBondContact O-CD2 3.32Å; I90-L105 VanDerWaalsContact O-CG 3.32Å; I90-L105 WeakPolarHBondContact O-CG 3.41Å; S103-L105 PolarHBondContact O-N 3.39Å; L105-L107 VanDerWaalsContact C-N 3.3Å; L105-L107 PolarHBondContact O-N 3.4Å; L105-A108 PolarHBondContact O-N 2.81Å; L105-A108 VanDerWaalsContact O-N 3.13Å; L105-E109 PolarHBondContact O-N 2.91Å |
| 106 | E | 93.2 | Very high | 83.8 | Confident | 93 Ų | 93 | 62.6 Ų | 62.6 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 178 | -72.9 | 161.8 | 141.9 | 0 | 0 | 111.4 | S103 A110 | S103-E106 WeakPolarHBondContact CB-OE2 3.37Å; S103-E106 PolarHBondContact N-OE2 3.25Å; S103-E106 PolarHBondContact O-N 3.32Å; S103-E106 WeakPolarHBondContact OG-CB 3.19Å; S103-E106 VanDerWaalsContact OG-CD 3.29Å; S103-E106 VanDerWaalsContact OG-CG 3.25Å; S103-E106 WeakPolarHBondContact OG-CG 3.46Å; S103-E106 PolarHBondContact OG-N 3.2Å; S103-E106 PolarHBondContact OG-OE2 3.02Å; E106-A110 WeakPolarHBondContact O-CB 3.46Å; E106-A110 PolarHBondContact O-N 3.19Å; E106-A110 VanDerWaalsContact O-N 3.12Å |
| 107 | L | 94.3 | Very high | 85.6 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 174.8 | -69.3 | 174.2 | 0 | 0 | 0 | 112.1 | Y84 P88 Y102 S103 L105 M111 | Y84-L107 HydrophobicContact CD1-CD1 4.38Å; Y84-L107 HydrophobicContact CE1-CD1 3.75Å; P88-L107 HydrophobicContact CB-CB 3.88Å; P88-L107 HydrophobicContact CG-CB 3.88Å; Y102-L107 HydrophobicContact CG-CD2 4.35Å; S103-L107 WeakPolarHBondContact O-CG 3.38Å; S103-L107 PolarHBondContact O-N 3.45Å; S103-L107 VanDerWaalsContact O-N 3.11Å; L105-L107 VanDerWaalsContact C-N 3.3Å; L105-L107 PolarHBondContact O-N 3.4Å; L107-M111 WeakPolarHBondContact O-CB 3.49Å; L107-M111 PolarHBondContact O-N 3.19Å |
| 108 | A | 96.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.3 | -37.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F42 P88 G104 L105 R115 L117 | F42-A108 HydrophobicContact CE2-CB 3.74Å; F42-A108 HydrophobicContact CZ-CB 3.92Å; P88-A108 HydrophobicContact CB-CB 3.92Å; P88-A108 HydrophobicContact CG-CB 4.33Å; G104-A108 VanDerWaalsContact O-CB 3.27Å; G104-A108 WeakPolarHBondContact O-CB 3.48Å; G104-A108 PolarHBondContact O-N 2.92Å; L105-A108 PolarHBondContact O-N 2.81Å; L105-A108 VanDerWaalsContact O-N 3.13Å; A108-R115 VanDerWaalsContact O-CD 3.22Å; A108-R115 WeakPolarHBondContact O-CD 3.48Å; A108-R115 PolarHBondContact O-NH1 2.97Å; A108-L117 HydrophobicContact CB-CD2 3.75Å |
| 109 | E | 94.9 | Very high | 89.4 | Confident | 100 Ų | 100 | 50.1 Ų | 50.1 | 47% | 0.467 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.3 | -41.2 | 177.7 | -74.3 | -64.8 | 174.9 | 0 | 0 | 112.2 | R45 L105 M111 | R45-E109 PolarHBondContact NH2-O 3.18Å; L105-E109 PolarHBondContact O-N 2.91Å; E109-M111 PolarHBondContact O-N 2.82Å |
| 110 | A | 94.9 | Very high | 91.6 | Very high | 85 Ų | 85 | 45.5 Ų | 45.5 | 70% | 0.702 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -69.1 | -17.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E106 | E106-A110 WeakPolarHBondContact O-CB 3.46Å; E106-A110 PolarHBondContact O-N 3.19Å; E106-A110 VanDerWaalsContact O-N 3.12Å |
| 111 | M | 95.9 | Very high | 93.7 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 17% | 0.172 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -77.5 | 127.6 | -177.1 | -172.7 | 171.3 | -72 | 0 | 0 | 112 | R45 K85 R86 P88 L107 E109 R115 | R45-M111 PolarHBondContact NH1-O 3.08Å; R45-M111 PolarHBondContact NH2-O 3.01Å; K85-M111 WeakPolarHBondContact O-CE 3.42Å; R86-M111 WeakPolarHBondContact O-CE 3.48Å; P88-M111 VanDerWaalsContact CD-CE 3.49Å; P88-M111 HydrophobicContact CG-CE 3.61Å; P88-M111 HydrophobicContact CG-SD 4.27Å; L107-M111 WeakPolarHBondContact O-CB 3.49Å; L107-M111 PolarHBondContact O-N 3.19Å; E109-M111 PolarHBondContact O-N 2.82Å; M111-R115 HydrophobicContact CB-CG 4.23Å; M111-R115 HydrophobicContact CG-CB 4.5Å; M111-R115 HydrophobicContact CG-CG 4.03Å; M111-R115 HydrophobicContact SD-CB 4.09Å; M111-R115 HydrophobicContact SD-CG 4.27Å |
| 112 | P | 96.6 | Very high | 95.4 | Very high | 103 Ų | 103 | 38 Ų | 38 | 67% | 0.669 | 21% | 0.213 | S | C | * | . | P | Polyproline II helix | trans | -67.5 | 150.6 | 171.7 | 29.5 | -34.6 | 0 | 0 | 0 | 110.8 | ||
| 113 | S | 97.6 | Very high | 96.4 | Very high | 52 Ų | 52 | 32.6 Ų | 32.6 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -68.4 | 152.1 | 171.6 | -87.6 | 0 | 0 | 0 | 0 | 112 | R45 D47 | R45-S113 WeakPolarHBondContact CD-OG 3.43Å; R45-S113 PolarHBondContact NH1-OG 2.92Å; D47-S113 PolarHBondContact OD1-OG 2.78Å; D47-S113 VanDerWaalsContact OD2-CB 3.25Å; D47-S113 WeakPolarHBondContact OD2-CB 3.16Å |
| 114 | P | 97.1 | Very high | 96.8 | Very high | 93 Ų | 93 | 37.1 Ų | 37.1 | 60% | 0.604 | 22% | 0.215 | S | C | * | . | S | Bend | cis | -75.9 | 140.7 | -6 | 31 | -34.5 | 0 | 0 | 0 | 111.8 | D47 | D47-P114 HydrophobicContact CB-CB 4.47Å; D47-P114 WeakPolarHBondContact OD2-CA 3.39Å |
| 115 | R | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -100 | 140.8 | 179.7 | -47.6 | -179.3 | -71.5 | -170.4 | 0.5 | 111 | R43 D48 L49 A108 M111 L117 | R43-R115 PolarHBondContact O-NH2 2.85Å; D48-R115 WeakPolarHBondContact CA-O 3.39Å; D48-R115 VanDerWaalsContact OD1-CB 3.3Å; D48-R115 WeakPolarHBondContact OD1-CB 3.31Å; D48-R115 IonicContact OD1-CZ 2.75Å; D48-R115 IonicContact OD1-NE 2.75Å; D48-R115 PolarHBondContact OD1-NE 2.82Å; D48-R115 IonicContact OD1-NH2 3.66Å; D48-R115 IonicContact OD2-CZ 2.97Å; D48-R115 IonicContact OD2-NE 3.2Å; D48-R115 PolarHBondContact OD2-NE 3.03Å; D48-R115 IonicContact OD2-NH2 2.67Å; D48-R115 PolarHBondContact OD2-NH2 3.32Å; L49-R115 PolarHBondContact N-O 3.08Å; A108-R115 VanDerWaalsContact O-CD 3.22Å; A108-R115 WeakPolarHBondContact O-CD 3.48Å; A108-R115 PolarHBondContact O-NH1 2.97Å; M111-R115 HydrophobicContact CB-CG 4.23Å; M111-R115 HydrophobicContact CG-CB 4.5Å; M111-R115 HydrophobicContact CG-CG 4.03Å; M111-R115 HydrophobicContact SD-CB 4.09Å; M111-R115 HydrophobicContact SD-CG 4.27Å; R115-L117 HydrophobicContact CB-CD2 4.08Å; R115-L117 HydrophobicContact CB-CG 4.16Å |
| 116 | T | 98.7 | Very high | 97.4 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.2 | 165 | -58.5 | 0 | 0 | 0 | 0 | 108.1 | L49 I51 V66 Q70 H87 | L49-T116 HydrophobicContact CB-CG2 4.43Å; L49-T116 HydrophobicContact CD2-CG2 3.98Å; L49-T116 HydrophobicContact CG-CG2 4.23Å; L49-T116 CarbonylContact O-C 3.54Å; L49-T116 WeakPolarHBondContact O-CA 3.32Å; I51-T116 HydrophobicContact CD1-CG2 3.62Å; I51-T116 HydrophobicContact CG1-CG2 4.06Å; V66-T116 HydrophobicContact CG1-CG2 3.94Å; Q70-T116 PolarHBondContact NE2-OG1 2.78Å; Q70-T116 PolarHBondContact OE1-OG1 2.97Å; H87-T116 WeakPolarHBondContact CA-O 3.24Å; H87-T116 VanDerWaalsContact CD2-CG2 3.48Å; H87-T116 WeakPolarHBondContact CD2-CG2 3.39Å |
| 117 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 154 | -172.5 | -57.6 | 175.4 | 0 | 0 | 0 | 110.2 | F42 L49 L50 I51 P88 I90 A108 R115 F130 | F42-L117 HydrophobicContact CE1-CD1 3.69Å; F42-L117 HydrophobicContact CZ-CD1 3.7Å; L49-L117 PolarHBondContact O-N 3.34Å; L50-L117 HydrophobicContact CD1-CB 4.07Å; I51-L117 PolarHBondContact N-O 3.11Å; P88-L117 HydrophobicContact CB-CD2 4.07Å; P88-L117 HydrophobicContact CG-CD2 4.14Å; I90-L117 HydrophobicContact CG2-CB 3.96Å; I90-L117 HydrophobicContact CG2-CD1 4.27Å; I90-L117 HydrophobicContact CG2-CD2 4.45Å; I90-L117 HydrophobicContact CG2-CG 4.45Å; A108-L117 HydrophobicContact CB-CD2 3.75Å; R115-L117 HydrophobicContact CB-CD2 4.08Å; R115-L117 HydrophobicContact CB-CG 4.16Å; L117-F130 HydrophobicContact CD1-CE1 3.98Å; L117-F130 HydrophobicContact CD1-CZ 3.71Å |
| 118 | K | 98.7 | Very high | 97.8 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 142.7 | 177.3 | 171.9 | -167.9 | 163.2 | -163.9 | 0 | 110.3 | I51 T59 P88 F89 I90 H120 | I51-K118 WeakPolarHBondContact O-CA 3.25Å; T59-K118 HydrophobicContact CG2-CD 3.85Å; T59-K118 HydrophobicContact CG2-CG 3.78Å; P88-K118 PolarHBondContact O-N 3.5Å; F89-K118 WeakPolarHBondContact CA-O 3.47Å; F89-K118 HydrophobicContact CB-CD 4.15Å; F89-K118 HydrophobicContact CD1-CB 4.43Å; F89-K118 HydrophobicContact CD1-CD 3.92Å; F89-K118 HydrophobicContact CD1-CG 3.91Å; F89-K118 HydrophobicContact CD2-CD 4.34Å; F89-K118 VanDerWaalsContact CD2-NZ 3.34Å; F89-K118 HydrophobicContact CE1-CD 4.4Å; F89-K118 HydrophobicContact CE1-CG 4.38Å; F89-K118 HydrophobicContact CG-CD 3.88Å; F89-K118 HydrophobicContact CG-CG 4.33Å; I90-K118 PolarHBondContact N-O 2.79Å; K118-H120 WeakPolarHBondContact CE-CE1 3.4Å; K118-H120 WeakPolarHBondContact CE-NE2 3.35Å; K118-H120 PolarHBondContact NZ-NE2 2.96Å |
| 119 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 157 | 164.6 | -166.3 | 0 | 0 | 0 | 0 | 113.3 | L50 I51 A52 T53 E91 L121 | L50-T119 HydrophobicContact CD1-CG2 3.8Å; L50-T119 HydrophobicContact CD2-CG2 3.94Å; L50-T119 HydrophobicContact CG-CG2 4.01Å; I51-T119 PolarHBondContact O-N 3.45Å; A52-T119 WeakPolarHBondContact CA-O 3.36Å; A52-T119 HydrophobicContact CB-CG2 3.8Å; T53-T119 PolarHBondContact N-O 3.42Å; E91-T119 VanDerWaalsContact CD-OG1 3.26Å; E91-T119 PolarHBondContact OE1-OG1 2.95Å; E91-T119 WeakPolarHBondContact OE2-CA 3.3Å; E91-T119 WeakPolarHBondContact OE2-CB 3.36Å; E91-T119 PolarHBondContact OE2-OG1 3.4Å; T119-L121 WeakPolarHBondContact OG1-CB 3.5Å; T119-L121 VanDerWaalsContact OG1-CG 3.31Å; T119-L121 WeakPolarHBondContact OG1-CG 3.31Å; T119-L121 PolarHBondContact OG1-N 3.47Å |
| 120 | H | 98.8 | Very high | 98.1 | Very high | 11 Ų | 11 | 27.9 Ų | 27.9 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | trans | -116.6 | 10.9 | 165.7 | -67.7 | -28.3 | 0 | 0 | 0 | 111.9 | T53 T59 F89 E91 K118 W181 H187 | T53-H120 VanDerWaalsContact O-CA 3.3Å; T53-H120 WeakPolarHBondContact O-CA 3.48Å; T53-H120 PolarHBondContact O-ND1 2.91Å; T53-H120 PolarHBondContact OG1-CE1 3.37Å; T53-H120 PolarHBondContact OG1-ND1 3.37Å; T59-H120 PolarHBondContact OG1-CE1 3.06Å; T59-H120 VanDerWaalsContact OG1-CE1 3.31Å; F89-H120 HydrophobicContact CE1-CB 4.22Å; F89-H120 AromaticContact CE1-CD2 3.93Å; F89-H120 HydrophobicContact CZ-CB 4.13Å; F89-H120 AromaticContact CZ-CD2 3.31Å; F89-H120 WeakPolarHBondContact CZ-CD2 3.43Å; F89-H120 AromaticContact CZ-CG 3.83Å; E91-H120 WeakPolarHBondContact OE1-CA 3.35Å; E91-H120 PolarHBondContact OE1-N 2.91Å; K118-H120 WeakPolarHBondContact CE-CE1 3.4Å; K118-H120 WeakPolarHBondContact CE-NE2 3.35Å; K118-H120 PolarHBondContact NZ-NE2 2.96Å; H120-W181 HydrophobicContact CB-CD2 3.63Å; H120-W181 HydrophobicContact CB-CE3 4.33Å; H120-W181 HydrophobicContact CB-CG 3.7Å; H120-W181 HydrophobicContact CB-CZ2 4.14Å; H120-W181 AromaticContact CD2-CH2 3.85Å; H120-W181 AromaticContact CD2-CZ2 3.8Å; H120-W181 WeakPolarHBondContact O-CB 3.25Å; H120-H187 PolarHBondContact O-NE2 3.17Å | ||
| 121 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -66.6 | 137.2 | 177.4 | -64.7 | 171 | 0 | 0 | 0 | 110.7 | L28 W36 V39 E91 T119 L125 V126 H187 W191 | L28-L121 HydrophobicContact CD2-CD2 4.49Å; W36-L121 HydrophobicContact CH2-CD1 4.04Å; W36-L121 HydrophobicContact CH2-CD2 3.91Å; W36-L121 HydrophobicContact CZ3-CD1 4.24Å; W36-L121 HydrophobicContact CZ3-CD2 3.82Å; V39-L121 HydrophobicContact CG1-CD1 4.06Å; E91-L121 HydrophobicContact CB-CD1 4.14Å; E91-L121 HydrophobicContact CB-CD2 4.28Å; E91-L121 HydrophobicContact CB-CG 4.29Å; E91-L121 HydrophobicContact CG-CD2 4.12Å; E91-L121 HydrophobicContact CG-CG 4.14Å; E91-L121 PolarHBondContact OE1-N 3.48Å; T119-L121 WeakPolarHBondContact OG1-CB 3.5Å; T119-L121 VanDerWaalsContact OG1-CG 3.31Å; T119-L121 WeakPolarHBondContact OG1-CG 3.31Å; T119-L121 PolarHBondContact OG1-N 3.47Å; L121-L125 HydrophobicContact CB-CB 4.18Å; L121-L125 WeakPolarHBondContact CD1-O 3.48Å; L121-L125 HydrophobicContact CD2-CB 4.27Å; L121-V126 HydrophobicContact CB-CG2 4.49Å; L121-H187 PolarHBondContact O-NE2 3.41Å; L121-W191 PolarHBondContact O-NE1 2.76Å | ||
| 122 | P | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | trans | -64.6 | 156.8 | 167.7 | 31 | -35.5 | 0 | 0 | 0 | 109.4 | V26 Q124 L125 V126 | V26-P122 HydrophobicContact CG1-CG 4.07Å; V26-P122 HydrophobicContact CG2-CG 3.87Å; P122-Q124 PolarHBondContact O-N 3.43Å; P122-L125 HydrophobicContact CG-CB 4.17Å; P122-L125 HydrophobicContact CG-CD1 4.03Å; P122-L125 HydrophobicContact CG-CG 4.06Å; P122-L125 PolarHBondContact O-N 2.8Å; P122-V126 PolarHBondContact O-N 3.21Å | ||
| 123 | V | 98.4 | Very high | 98.5 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 16% | 0.164 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -54.5 | -36 | -166.2 | 70 | 0 | 0 | 0 | 0 | 114.2 | L125 V126 W131 W191 A194 | V123-L125 PolarHBondContact O-N 2.8Å; V123-V126 PolarHBondContact O-N 3.43Å; V123-W131 HydrophobicContact CG2-CH2 3.76Å; V123-W131 HydrophobicContact CG2-CZ2 3.72Å; V123-W191 HydrophobicContact CB-CD2 4.16Å; V123-W191 HydrophobicContact CB-CG 4.3Å; V123-W191 HydrophobicContact CG2-CD2 4.37Å; V123-W191 HydrophobicContact CG2-CE3 4.39Å; V123-A194 HydrophobicContact CG2-CB 3.71Å |
| 124 | Q | 98.3 | Very high | 98.5 | Very high | 103 Ų | 103 | 31.9 Ų | 31.9 | 48% | 0.481 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -71.4 | -16 | 179.8 | 72.8 | -79.7 | 8.7 | 0 | 0 | 113.8 | P122 | P122-Q124 PolarHBondContact O-N 3.43Š|
| 125 | L | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -104.5 | -3 | -179.6 | -68 | -166.3 | 0 | 0 | 0 | 113.3 | V23 E24 V26 W36 L121 P122 V123 | V23-L125 HydrophobicContact CG1-CD1 4.28Å; V23-L125 HydrophobicContact CG1-CD2 4.15Å; E24-L125 HydrophobicContact CB-CD2 4.09Å; E24-L125 HydrophobicContact CG-CD2 4.19Å; V26-L125 HydrophobicContact CB-CD1 3.65Å; V26-L125 HydrophobicContact CG1-CD1 4.07Å; V26-L125 HydrophobicContact CG2-CD1 3.61Å; V26-L125 HydrophobicContact CG2-CG 4.33Å; W36-L125 HydrophobicContact CH2-CB 3.88Å; W36-L125 HydrophobicContact CH2-CD1 4.25Å; W36-L125 HydrophobicContact CH2-CD2 4.42Å; W36-L125 HydrophobicContact CH2-CG 4.41Å; W36-L125 HydrophobicContact CZ2-CB 4.18Å; W36-L125 HydrophobicContact CZ2-CD1 4.48Å; W36-L125 HydrophobicContact CZ2-CD2 3.95Å; W36-L125 HydrophobicContact CZ2-CG 4.43Å; L121-L125 HydrophobicContact CB-CB 4.18Å; L121-L125 WeakPolarHBondContact CD1-O 3.48Å; L121-L125 HydrophobicContact CD2-CB 4.27Å; P122-L125 HydrophobicContact CG-CB 4.17Å; P122-L125 HydrophobicContact CG-CD1 4.03Å; P122-L125 HydrophobicContact CG-CG 4.06Å; P122-L125 PolarHBondContact O-N 2.8Å; V123-L125 PolarHBondContact O-N 2.8Å |
| 126 | V | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -64.3 | 133.2 | 174.3 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | L50 L121 P122 V123 F130 W131 W191 | L50-V126 HydrophobicContact CD2-CG1 3.99Å; L121-V126 HydrophobicContact CB-CG2 4.49Å; P122-V126 PolarHBondContact O-N 3.21Å; V123-V126 PolarHBondContact O-N 3.43Å; V126-F130 HydrophobicContact CG1-CB 4.09Å; V126-F130 HydrophobicContact CG1-CD2 3.86Å; V126-F130 HydrophobicContact CG1-CG 4.26Å; V126-W131 HydrophobicContact CB-CZ2 3.64Å; V126-W131 HydrophobicContact CG1-CZ2 3.77Å; V126-W131 HydrophobicContact CG2-CZ2 3.99Å; V126-W191 HydrophobicContact CG2-CH2 3.67Å; V126-W191 HydrophobicContact CG2-CZ2 3.43Å; V126-W191 VanDerWaalsContact CG2-CZ2 3.43Å |
| 127 | P | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -51.7 | 130.5 | -179 | -28.9 | 35.9 | 0 | 0 | 0 | 112 | V39 F42 I90 S129 F130 | V39-P127 WeakPolarHBondContact O-CG 3.36Å; F42-P127 HydrophobicContact CB-CB 4.21Å; F42-P127 HydrophobicContact CB-CG 4.21Å; I90-P127 HydrophobicContact CD1-CG 4.24Å; P127-S129 PolarHBondContact O-N 3.14Å; P127-F130 HydrophobicContact CB-CD2 4Å; P127-F130 HydrophobicContact CB-CE2 4.24Å; P127-F130 HydrophobicContact CG-CD2 4.21Å; P127-F130 HydrophobicContact CG-CE2 4.09Å; P127-F130 PolarHBondContact O-N 3Å; P127-F130 VanDerWaalsContact O-N 3.1Å | ||
| 128 | P | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 29 Ų | 29 | 24% | 0.24 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.1 | -31 | -173.3 | -30.8 | 36.6 | 0 | 0 | 0 | 114.7 | W40 F130 W131 E132 | W40-P128 HydrophobicContact CD2-CG 4.3Å; W40-P128 HydrophobicContact CH2-CG 3.85Å; W40-P128 HydrophobicContact CZ2-CG 3.43Å; W40-P128 VanDerWaalsContact CZ2-CG 3.43Å; W40-P128 HydrophobicContact CZ3-CG 4.41Å; W40-P128 WeakPolarHBondContact O-CD 3.29Å; P128-F130 PolarHBondContact O-N 3.08Å; P128-W131 WeakPolarHBondContact O-CB 3.32Å; P128-W131 PolarHBondContact O-N 2.58Å; P128-E132 WeakPolarHBondContact O-CG 3.13Å; P128-E132 PolarHBondContact O-N 2.92Å; P128-E132 VanDerWaalsContact O-N 3.08Å |
| 129 | S | 98.7 | Very high | 98.6 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.6 | -29.7 | -179.2 | 65.3 | 0 | 0 | 0 | 0 | 113.8 | F42 A44 P127 W131 E132 Q133 | F42-S129 WeakPolarHBondContact O-CB 3.42Å; F42-S129 PolarHBondContact O-OG 3.25Å; A44-S129 WeakPolarHBondContact CB-OG 3.46Å; A44-S129 PolarHBondContact N-OG 2.64Å; P127-S129 PolarHBondContact O-N 3.14Å; S129-W131 VanDerWaalsContact C-N 3.28Å; S129-W131 PolarHBondContact O-N 3.35Å; S129-E132 PolarHBondContact O-N 3.21Å; S129-Q133 WeakPolarHBondContact O-CB 3.29Å; S129-Q133 VanDerWaalsContact O-CG 3.23Å; S129-Q133 WeakPolarHBondContact O-CG 3.48Å; S129-Q133 PolarHBondContact O-N 2.96Å |
| 130 | F | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -35.8 | 175.1 | -76.9 | -75.9 | 0 | 0 | 0 | 112.2 | F42 A44 D48 L50 I90 L117 V126 P127 P128 N134 C135 | F42-F130 AromaticContact CD1-CE2 3.77Å; F42-F130 HydrophobicContact CD1-CE2 3.77Å; F42-F130 AromaticContact CD1-CZ 3.98Å; F42-F130 HydrophobicContact CD1-CZ 3.98Å; F42-F130 AromaticContact CE1-CE2 3.98Å; F42-F130 HydrophobicContact CE1-CE2 3.98Å; F42-F130 AromaticContact CE1-CZ 3.68Å; F42-F130 HydrophobicContact CE1-CZ 3.68Å; A44-F130 HydrophobicContact CB-CB 4.46Å; A44-F130 HydrophobicContact CB-CD1 3.66Å; A44-F130 HydrophobicContact CB-CD2 4.27Å; A44-F130 HydrophobicContact CB-CE1 3.88Å; A44-F130 HydrophobicContact CB-CE2 4.46Å; A44-F130 HydrophobicContact CB-CG 3.88Å; A44-F130 HydrophobicContact CB-CZ 4.28Å; D48-F130 HydrophobicContact CB-CE1 4.39Å; L50-F130 HydrophobicContact CB-CD1 4.19Å; L50-F130 HydrophobicContact CB-CE1 4.02Å; L50-F130 HydrophobicContact CD1-CE1 4.09Å; L50-F130 HydrophobicContact CD1-CE2 4.45Å; L50-F130 HydrophobicContact CD1-CZ 3.91Å; L50-F130 HydrophobicContact CD2-CD1 4.14Å; L50-F130 HydrophobicContact CD2-CD2 4.29Å; L50-F130 HydrophobicContact CD2-CE1 4.25Å; L50-F130 HydrophobicContact CD2-CE2 4.4Å; L50-F130 HydrophobicContact CD2-CG 4.16Å; L50-F130 HydrophobicContact CD2-CZ 4.38Å; L50-F130 HydrophobicContact CG-CE1 4.35Å; I90-F130 HydrophobicContact CD1-CE2 3.91Å; I90-F130 HydrophobicContact CD1-CZ 4.34Å; L117-F130 HydrophobicContact CD1-CE1 3.98Å; L117-F130 HydrophobicContact CD1-CZ 3.71Å; V126-F130 HydrophobicContact CG1-CB 4.09Å; V126-F130 HydrophobicContact CG1-CD2 3.86Å; V126-F130 HydrophobicContact CG1-CG 4.26Å; P127-F130 HydrophobicContact CB-CD2 4Å; P127-F130 HydrophobicContact CB-CE2 4.24Å; P127-F130 HydrophobicContact CG-CD2 4.21Å; P127-F130 HydrophobicContact CG-CE2 4.09Å; P127-F130 PolarHBondContact O-N 3Å; P127-F130 VanDerWaalsContact O-N 3.1Å; P128-F130 PolarHBondContact O-N 3.08Å; F130-N134 PolarHBondContact O-N 3.02Å; F130-C135 HydrophobicContact CD1-CB 3.98Å; F130-C135 PolarHBondContact O-N 3.4Å; F130-C135 VanDerWaalsContact O-N 3.09Å |
| 131 | W | 98.4 | Very high | 98.6 | Very high | 68 Ų | 68 | 27.8 Ų | 27.8 | 26% | 0.258 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -76 | -44.9 | 177 | -46.1 | 119.8 | 0 | 0 | 0 | 110.8 | V123 V126 P128 S129 Q133 N134 I137 W191 N198 I200 | V123-W131 HydrophobicContact CG2-CH2 3.76Å; V123-W131 HydrophobicContact CG2-CZ2 3.72Å; V126-W131 HydrophobicContact CB-CZ2 3.64Å; V126-W131 HydrophobicContact CG1-CZ2 3.77Å; V126-W131 HydrophobicContact CG2-CZ2 3.99Å; P128-W131 WeakPolarHBondContact O-CB 3.32Å; P128-W131 PolarHBondContact O-N 2.58Å; S129-W131 VanDerWaalsContact C-N 3.28Å; S129-W131 PolarHBondContact O-N 3.35Å; W131-Q133 VanDerWaalsContact C-N 3.3Å; W131-Q133 PolarHBondContact O-N 2.94Å; W131-N134 PolarHBondContact O-N 3.25Å; W131-I137 HydrophobicContact CE3-CD1 4.22Å; W131-I137 HydrophobicContact CH2-CD1 3.72Å; W131-I137 HydrophobicContact CZ3-CD1 3.43Å; W131-I137 VanDerWaalsContact CZ3-CD1 3.43Å; W131-W191 HydrophobicContact CH2-CH2 4.09Å; W131-W191 AromaticContact CH2-CZ3 3.88Å; W131-W191 HydrophobicContact CH2-CZ3 3.88Å; W131-N198 HydrophobicContact CE3-CB 4.33Å; W131-N198 HydrophobicContact CZ3-CB 4.05Å; W131-I200 HydrophobicContact CZ3-CD1 4.31Å |
| 132 | E | 98.4 | Very high | 98.6 | Very high | 130 Ų | 130 | 28.3 Ų | 28.3 | 61% | 0.607 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -58.3 | -40.6 | 178 | -66.9 | 168.5 | -177.6 | 0 | 0 | 112.4 | P128 S129 N134 | P128-E132 WeakPolarHBondContact O-CG 3.13Å; P128-E132 PolarHBondContact O-N 2.92Å; P128-E132 VanDerWaalsContact O-N 3.08Å; S129-E132 PolarHBondContact O-N 3.21Å; E132-N134 VanDerWaalsContact C-N 3.28Å |
| 133 | Q | 98.4 | Very high | 98.7 | Very high | 79 Ų | 79 | 28.2 Ų | 28.2 | 37% | 0.369 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -1.6 | 178.8 | -62.2 | -57.3 | -35.1 | 0 | 0 | 113.4 | S129 W131 C135 | S129-Q133 WeakPolarHBondContact O-CB 3.29Å; S129-Q133 VanDerWaalsContact O-CG 3.23Å; S129-Q133 WeakPolarHBondContact O-CG 3.48Å; S129-Q133 PolarHBondContact O-N 2.96Å; W131-Q133 VanDerWaalsContact C-N 3.3Å; W131-Q133 PolarHBondContact O-N 2.94Å; Q133-C135 PolarHBondContact O-N 3.24Å |
| 134 | N | 98 | Very high | 98.7 | Very high | 83 Ų | 83 | 27 Ų | 27 | 44% | 0.444 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 43.3 | -178.1 | -169.1 | 27.3 | 0 | 0 | 0 | 112.6 | F130 W131 E132 R199 | F130-N134 PolarHBondContact O-N 3.02Å; W131-N134 PolarHBondContact O-N 3.25Å; E132-N134 VanDerWaalsContact C-N 3.28Å; N134-R199 PolarHBondContact O-NH1 3.39Å; N134-R199 VanDerWaalsContact OD1-CD 3.22Å; N134-R199 WeakPolarHBondContact OD1-CD 3.39Å; N134-R199 WeakPolarHBondContact OD1-CG 3.3Å |
| 135 | C | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 3% | 0.027 | 11% | 0.109 | C | C | . | . | trans | -60.7 | 150.9 | -179.2 | -63.6 | 0 | 0 | 0 | 0 | 111 | R45 F130 Q133 | R45-C135 PolarHBondContact O-SG 3.49Å; F130-C135 HydrophobicContact CD1-CB 3.98Å; F130-C135 PolarHBondContact O-N 3.4Å; F130-C135 VanDerWaalsContact O-N 3.09Å; Q133-C135 PolarHBondContact O-N 3.24Å | ||
| 136 | K | 98.8 | Very high | 98.7 | Very high | 34 Ų | 34 | 22.5 Ų | 22.5 | 15% | 0.148 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 139.3 | 168.6 | -72.3 | -175.7 | -175.7 | -176.7 | 0 | 109.1 | L49 L50 F222 E224 | L49-K136 WeakPolarHBondContact CA-O 3.37Å; L49-K136 HydrophobicContact CD1-CB 3.8Å; L50-K136 PolarHBondContact N-O 3.46Å; K136-F222 HydrophobicContact CB-CE1 3.83Å; K136-F222 HydrophobicContact CB-CZ 3.92Å; K136-F222 HydrophobicContact CD-CE1 4.24Å; K136-F222 HydrophobicContact CD-CZ 4.45Å; K136-F222 WeakPolarHBondContact CE-O 3.36Å; K136-F222 HydrophobicContact CG-CE1 4.25Å; K136-F222 HydrophobicContact CG-CZ 4.12Å; K136-F222 PolarHBondContact NZ-O 3.03Å; K136-E224 VanDerWaalsContact CE-OE1 3.25Å; K136-E224 WeakPolarHBondContact CE-OE1 3.3Å; K136-E224 IonicContact NZ-OE1 3.24Å; K136-E224 PolarHBondContact NZ-OE1 3.01Å |
| 137 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.7 | 175.5 | -48.5 | -178.8 | 0 | 0 | 0 | 109.7 | L50 A52 W131 W191 R199 I200 L201 F222 | L50-I137 HydrophobicContact CB-CB 4.49Å; L50-I137 HydrophobicContact CB-CG1 4.12Å; L50-I137 HydrophobicContact CB-CG2 4.21Å; L50-I137 HydrophobicContact CD2-CD1 4.28Å; L50-I137 HydrophobicContact CD2-CG1 4.5Å; L50-I137 HydrophobicContact CD2-CG2 4.46Å; L50-I137 HydrophobicContact CG-CG2 4.43Å; L50-I137 CarbonylContact O-C 3.53Å; L50-I137 VanDerWaalsContact O-CA 3.24Å; L50-I137 WeakPolarHBondContact O-CA 3.34Å; L50-I137 WeakPolarHBondContact O-CG2 3.34Å; A52-I137 HydrophobicContact CB-CG2 4.1Å; W131-I137 HydrophobicContact CE3-CD1 4.22Å; W131-I137 HydrophobicContact CH2-CD1 3.72Å; W131-I137 HydrophobicContact CZ3-CD1 3.43Å; W131-I137 VanDerWaalsContact CZ3-CD1 3.43Å; I137-W191 HydrophobicContact CD1-CH2 4.2Å; I137-W191 HydrophobicContact CD1-CZ3 3.93Å; I137-W191 HydrophobicContact CG2-CH2 4.01Å; I137-W191 HydrophobicContact CG2-CZ3 3.68Å; I137-R199 PolarHBondContact N-O 3.14Å; I137-I200 HydrophobicContact CB-CG1 3.97Å; I137-I200 HydrophobicContact CD1-CG1 4.23Å; I137-I200 HydrophobicContact CG1-CG1 4.45Å; I137-I200 CarbonylContact O-C 3.48Å; I137-I200 VanDerWaalsContact O-CA 3.29Å; I137-I200 WeakPolarHBondContact O-CA 3.46Å; I137-L201 PolarHBondContact O-N 2.84Å; I137-F222 WeakPolarHBondContact O-CE1 3.46Å; I137-F222 WeakPolarHBondContact O-CZ 3.29Å |
| 138 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.8 | 167 | -63.3 | 168.5 | 0 | 0 | 0 | 107.3 | L49 L50 I51 A52 T62 V66 L201 L203 I219 F222 L223 | L49-I138 HydrophobicContact CD1-CD1 4.14Å; L49-I138 HydrophobicContact CD1-CG1 4.14Å; L49-I138 HydrophobicContact CD2-CD1 4.35Å; L50-I138 PolarHBondContact O-N 3.26Å; I51-I138 WeakPolarHBondContact CA-O 3.33Å; A52-I138 PolarHBondContact N-O 2.92Å; T62-I138 HydrophobicContact CG2-CG2 3.73Å; V66-I138 HydrophobicContact CG2-CD1 3.66Å; I138-L201 HydrophobicContact CG1-CB 4.36Å; I138-L201 HydrophobicContact CG1-CD2 4.41Å; I138-L203 HydrophobicContact CG2-CD1 3.81Å; I138-I219 HydrophobicContact CD1-CG2 3.92Å; I138-F222 HydrophobicContact CD1-CD1 4.36Å; I138-F222 HydrophobicContact CG1-CD1 3.89Å; I138-F222 HydrophobicContact CG1-CE1 3.8Å; I138-L223 HydrophobicContact CD1-CD2 4.27Å |
| 139 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.8 | 174.1 | -172.5 | -95.6 | 0 | 0 | 0 | 110.7 | A52 A141 H187 W191 L201 Y202 L203 | A52-Y139 HydrophobicContact CB-CD2 3.94Å; A52-Y139 VanDerWaalsContact O-CA 3.24Å; A52-Y139 WeakPolarHBondContact O-CA 3.18Å; A52-Y139 WeakPolarHBondContact O-CD2 3.3Å; Y139-A141 HydrophobicContact CD1-CB 4.31Å; Y139-A141 HydrophobicContact CE1-CB 3.79Å; Y139-H187 AromaticContact CE2-CE1 3.72Å; Y139-H187 AromaticContact CE2-ND1 3.81Å; Y139-H187 AromaticContact CZ-ND1 3.77Å; Y139-H187 PolarHBondContact OH-ND1 2.74Å; Y139-W191 HydrophobicContact CD1-CB 4.06Å; Y139-W191 HydrophobicContact CD2-CB 3.72Å; Y139-W191 AromaticContact CD2-CD1 3.79Å; Y139-W191 AromaticContact CD2-CD2 3.41Å; Y139-W191 HydrophobicContact CD2-CD2 3.41Å; Y139-W191 VanDerWaalsContact CD2-CD2 3.41Å; Y139-W191 AromaticContact CD2-CE2 3.88Å; Y139-W191 AromaticContact CD2-CE3 3.87Å; Y139-W191 HydrophobicContact CD2-CE3 3.87Å; Y139-W191 AromaticContact CD2-CG 3.36Å; Y139-W191 HydrophobicContact CD2-CG 3.36Å; Y139-W191 HydrophobicContact CE1-CB 3.92Å; Y139-W191 HydrophobicContact CE1-CG 4.4Å; Y139-W191 HydrophobicContact CE2-CB 3.62Å; Y139-W191 AromaticContact CE2-CD1 3.17Å; Y139-W191 AromaticContact CE2-CD2 3.67Å; Y139-W191 HydrophobicContact CE2-CD2 3.67Å; Y139-W191 AromaticContact CE2-CE2 3.91Å; Y139-W191 AromaticContact CE2-CG 3.18Å; Y139-W191 HydrophobicContact CE2-CG 3.18Å; Y139-W191 AromaticContact CE2-NE1 3.59Å; Y139-W191 HydrophobicContact CG-CB 3.94Å; Y139-W191 HydrophobicContact CG-CD2 4.23Å; Y139-W191 HydrophobicContact CG-CE3 4.39Å; Y139-W191 HydrophobicContact CG-CG 4.08Å; Y139-W191 AromaticContact CZ-CD1 3.73Å; Y139-W191 AromaticContact CZ-CG 3.74Å; Y139-L201 PolarHBondContact N-O 3.23Å; Y139-Y202 HydrophobicContact CD1-CD1 4.35Å; Y139-Y202 AromaticContact CD1-CD2 3.47Å; Y139-Y202 HydrophobicContact CD1-CD2 3.47Å; Y139-Y202 VanDerWaalsContact CD1-CD2 3.47Å; Y139-Y202 HydrophobicContact CD1-CE1 4.11Å; Y139-Y202 AromaticContact CD1-CE2 3.17Å; Y139-Y202 HydrophobicContact CD1-CE2 3.17Å; Y139-Y202 HydrophobicContact CD1-CG 4.07Å; Y139-Y202 AromaticContact CD1-CZ 3.53Å; Y139-Y202 HydrophobicContact CE1-CD2 4.19Å; Y139-Y202 HydrophobicContact CE1-CE1 4.32Å; Y139-Y202 AromaticContact CE1-CE2 3.4Å; Y139-Y202 HydrophobicContact CE1-CE2 3.4Å; Y139-Y202 VanDerWaalsContact CE1-CE2 3.4Å; Y139-Y202 AromaticContact CE1-CZ 3.49Å; Y139-Y202 VanDerWaalsContact CE1-CZ 3.49Å; Y139-Y202 WeakPolarHBondContact CE1-OH 3.39Å; Y139-Y202 HydrophobicContact CG-CD2 4.15Å; Y139-Y202 HydrophobicContact CG-CE2 4.15Å; Y139-L203 PolarHBondContact O-N 2.82Å |
| 140 | M | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 120.6 | 173.2 | -173.7 | 69.1 | 68 | 0 | 0 | 110.3 | A52 T53 A57 T62 L203 F204 Y205 M208 | A52-M140 PolarHBondContact O-N 3.42Å; T53-M140 WeakPolarHBondContact CB-O 3.44Å; T53-M140 HydrophobicContact CG2-CB 3.68Å; A57-M140 WeakPolarHBondContact CB-O 3.46Å; A57-M140 WeakPolarHBondContact O-CG 3.49Å; T62-M140 VanDerWaalsContact OG1-CE 3.31Å; T62-M140 WeakPolarHBondContact OG1-CE 3.49Å; M140-L203 HydrophobicContact CE-CB 3.67Å; M140-L203 HydrophobicContact CE-CD1 3.7Å; M140-L203 HydrophobicContact CE-CG 4.35Å; M140-L203 HydrophobicContact SD-CB 3.63Å; M140-F204 VanDerWaalsContact SD-C 3.52Å; M140-Y205 PolarHBondContact SD-N 3.31Å; M140-Y205 VanDerWaalsContact SD-N 3.45Å; M140-M208 HydrophobicContact CE-CG 3.62Å; M140-M208 HydrophobicContact CE-SD 4.42Å; M140-M208 HydrophobicContact SD-CG 4.22Å |
| 141 | A | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 154.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y139 V188 Y202 L203 F204 Y205 F303 | Y139-A141 HydrophobicContact CD1-CB 4.31Å; Y139-A141 HydrophobicContact CE1-CB 3.79Å; A141-V188 HydrophobicContact CB-CG1 4.48Å; A141-Y202 HydrophobicContact CB-CE1 3.58Å; A141-Y202 WeakPolarHBondContact CB-OH 3.34Å; A141-L203 PolarHBondContact N-O 3.44Å; A141-F204 HydrophobicContact CB-CD1 4.31Å; A141-F204 CarbonylContact O-C 3.51Å; A141-F204 WeakPolarHBondContact O-CA 3.44Å; A141-Y205 WeakPolarHBondContact O-CB 3.47Å; A141-Y205 PolarHBondContact O-N 2.77Å; A141-F303 HydrophobicContact CB-CE1 3.55Å; A141-F303 HydrophobicContact CB-CZ 3.84Å |
| 142 | R | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 5% | 0.045 | 9% | 0.094 | C | C | . | . | trans | -143 | 148.8 | 174.1 | -176.9 | 179 | -170.3 | -166.3 | 1.7 | 108.5 | K56 A57 S147 W184 Y205 E206 V272 | K56-R142 PolarHBondContact O-NH1 3.39Å; A57-R142 HydrophobicContact CB-CB 3.74Å; R142-S147 PolarHBondContact O-OG 2.95Å; R142-W184 VanDerWaalsContact O-CZ2 3.32Å; R142-W184 WeakPolarHBondContact O-CZ2 3.4Å; R142-W184 PolarHBondContact O-NE1 2.85Å; R142-W184 VanDerWaalsContact O-NE1 3.15Å; R142-Y205 HydrophobicContact CB-CG 4.34Å; R142-Y205 HydrophobicContact CG-CD1 3.98Å; R142-Y205 HydrophobicContact CG-CG 3.95Å; R142-E206 WeakPolarHBondContact CG-OE1 3.32Å; R142-V272 PolarHBondContact NH2-O 3.2Å | ||
| 143 | N | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | trans | -51.6 | 144.6 | 177.5 | 78.9 | 82.4 | 0 | 0 | 0 | 111.8 | K145 D146 S147 E206 F303 R304 T305 | N143-K145 VanDerWaalsContact C-N 3.34Å; N143-K145 PolarHBondContact O-N 3.12Å; N143-K145 PolarHBondContact OD1-N 2.83Å; N143-D146 PolarHBondContact ND2-OD2 2.97Å; N143-D146 PolarHBondContact OD1-N 3.06Å; N143-S147 WeakPolarHBondContact O-CB 3.19Å; N143-S147 PolarHBondContact O-N 3.39Å; N143-S147 PolarHBondContact O-OG 3.43Å; N143-E206 WeakPolarHBondContact CB-OE1 3.5Å; N143-E206 PolarHBondContact N-OE1 3.1Å; N143-E206 PolarHBondContact ND2-OE1 2.98Å; N143-F303 HydrophobicContact CB-CB 4.11Å; N143-F303 HydrophobicContact CB-CD1 4.47Å; N143-R304 VanDerWaalsContact CB-O 3.3Å; N143-R304 WeakPolarHBondContact CB-O 3.49Å; N143-T305 HydrophobicContact CB-CG2 4.31Å | ||
| 144 | A | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 2% | 0.017 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S147 L148 F174 W184 F288 Y292 | A144-S147 WeakPolarHBondContact O-CB 3.19Å; A144-S147 PolarHBondContact O-N 3.13Å; A144-L148 WeakPolarHBondContact O-CB 3.48Å; A144-L148 PolarHBondContact O-N 2.88Å; A144-F174 HydrophobicContact CB-CE1 4.42Å; A144-W184 HydrophobicContact CB-CD2 3.6Å; A144-W184 HydrophobicContact CB-CE3 3.57Å; A144-W184 HydrophobicContact CB-CG 4.36Å; A144-W184 HydrophobicContact CB-CH2 3.79Å; A144-W184 HydrophobicContact CB-CZ2 3.77Å; A144-W184 HydrophobicContact CB-CZ3 3.68Å; A144-F288 HydrophobicContact CB-CE1 4.01Å; A144-F288 HydrophobicContact CB-CZ 3.6Å; A144-Y292 HydrophobicContact CB-CD2 4.34Å; A144-Y292 HydrophobicContact CB-CE2 4.21Å |
| 145 | K | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 7.7 Ų | 7.7 | 5% | 0.048 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -67.7 | -46.6 | -175.3 | -61.3 | -177.6 | -177.4 | 172.3 | 0 | 112.1 | N143 L148 V149 W276 F280 N285 F288 D289 | N143-K145 VanDerWaalsContact C-N 3.34Å; N143-K145 PolarHBondContact O-N 3.12Å; N143-K145 PolarHBondContact OD1-N 2.83Å; K145-L148 PolarHBondContact O-N 2.91Å; K145-V149 PolarHBondContact O-N 2.79Å; K145-V149 VanDerWaalsContact O-N 3.1Å; K145-W276 HydrophobicContact CB-CB 3.57Å; K145-W276 HydrophobicContact CB-CD2 3.94Å; K145-W276 HydrophobicContact CB-CE3 4.46Å; K145-W276 HydrophobicContact CB-CG 3.52Å; K145-W276 HydrophobicContact CD-CD2 3.61Å; K145-W276 HydrophobicContact CD-CE3 3.63Å; K145-W276 HydrophobicContact CD-CG 4.15Å; K145-W276 HydrophobicContact CD-CH2 4.2Å; K145-W276 HydrophobicContact CD-CZ2 4.19Å; K145-W276 HydrophobicContact CD-CZ3 3.95Å; K145-W276 HydrophobicContact CG-CD2 4.43Å; K145-W276 HydrophobicContact CG-CG 4.49Å; K145-F280 HydrophobicContact CB-CE2 4.07Å; K145-F280 HydrophobicContact CB-CZ 4.11Å; K145-F280 HydrophobicContact CG-CZ 4.16Å; K145-N285 WeakPolarHBondContact CE-OD1 3.34Å; K145-N285 PolarHBondContact NZ-OD1 3.28Å; K145-F288 HydrophobicContact CD-CD1 4.36Å; K145-F288 HydrophobicContact CG-CD1 3.88Å; K145-F288 HydrophobicContact CG-CE1 3.7Å; K145-F288 HydrophobicContact CG-CZ 4.3Å; K145-D289 WeakPolarHBondContact CE-OD1 3.16Å; K145-D289 VanDerWaalsContact NZ-CG 3.25Å; K145-D289 IonicContact NZ-OD1 2.7Å; K145-D289 PolarHBondContact NZ-OD1 2.84Å; K145-D289 IonicContact NZ-OD2 2.7Å; K145-D289 PolarHBondContact NZ-OD2 3.02Å; K145-D289 VanDerWaalsContact NZ-OD2 3.1Å |
| 146 | D | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -69.3 | -35.8 | 174.7 | -78.9 | -36.4 | 0 | 0 | 0 | 112.2 | N143 L148 S150 V273 G274 D275 W276 | N143-D146 PolarHBondContact ND2-OD2 2.97Å; N143-D146 PolarHBondContact OD1-N 3.06Å; D146-L148 VanDerWaalsContact C-N 3.33Å; D146-S150 VanDerWaalsContact O-CB 3.29Å; D146-S150 WeakPolarHBondContact O-CB 3.31Å; D146-S150 PolarHBondContact O-N 3.39Å; D146-V273 WeakPolarHBondContact OD2-CA 3.43Å; D146-G274 PolarHBondContact OD1-N 3.27Å; D146-G274 PolarHBondContact OD2-N 3.13Å; D146-D275 PolarHBondContact OD1-N 3.27Å; D146-W276 PolarHBondContact OD1-N 2.84Å |
| 147 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -57.3 | -48.4 | 172.8 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | R142 N143 A144 S150 Y151 | R142-S147 PolarHBondContact O-OG 2.95Å; N143-S147 WeakPolarHBondContact O-CB 3.19Å; N143-S147 PolarHBondContact O-N 3.39Å; N143-S147 PolarHBondContact O-OG 3.43Å; A144-S147 WeakPolarHBondContact O-CB 3.19Å; A144-S147 PolarHBondContact O-N 3.13Å; S147-S150 PolarHBondContact O-N 3.41Å; S147-Y151 WeakPolarHBondContact O-CB 3.17Å; S147-Y151 PolarHBondContact O-N 3.06Å |
| 148 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -58.8 | -53.9 | 178.2 | -164.8 | 168.8 | 0 | 0 | 0 | 111.6 | A144 K145 D146 S150 Y151 Y152 W167 F170 V171 F174 F280 F288 | A144-L148 WeakPolarHBondContact O-CB 3.48Å; A144-L148 PolarHBondContact O-N 2.88Å; K145-L148 PolarHBondContact O-N 2.91Å; D146-L148 VanDerWaalsContact C-N 3.33Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 3.12Å; L148-Y151 PolarHBondContact O-N 3.29Å; L148-Y152 PolarHBondContact O-N 2.77Å; L148-W167 HydrophobicContact CD2-CE3 4.36Å; L148-W167 HydrophobicContact CD2-CH2 3.34Å; L148-W167 HydrophobicContact CD2-CZ2 4.28Å; L148-W167 HydrophobicContact CD2-CZ3 3.39Å; L148-F170 HydrophobicContact CD2-CD1 3.86Å; L148-F170 HydrophobicContact CD2-CE1 4.21Å; L148-V171 HydrophobicContact CD1-CG1 4.46Å; L148-V171 HydrophobicContact CD1-CG2 4.24Å; L148-V171 HydrophobicContact CD2-CG2 3.9Å; L148-F174 HydrophobicContact CB-CD1 4.16Å; L148-F174 HydrophobicContact CB-CD2 4.03Å; L148-F174 HydrophobicContact CB-CE1 4.13Å; L148-F174 HydrophobicContact CB-CE2 3.97Å; L148-F174 HydrophobicContact CB-CG 4.12Å; L148-F174 HydrophobicContact CB-CZ 4.03Å; L148-F174 HydrophobicContact CD1-CB 3.74Å; L148-F174 HydrophobicContact CD1-CD1 3.44Å; L148-F174 VanDerWaalsContact CD1-CD1 3.44Å; L148-F174 HydrophobicContact CD1-CD2 4.32Å; L148-F174 HydrophobicContact CD1-CE1 4.08Å; L148-F174 HydrophobicContact CD1-CG 3.58Å; L148-F174 HydrophobicContact CG-CB 3.81Å; L148-F174 HydrophobicContact CG-CD1 3.81Å; L148-F174 HydrophobicContact CG-CD2 3.76Å; L148-F174 HydrophobicContact CG-CE1 4.3Å; L148-F174 HydrophobicContact CG-CE2 4.23Å; L148-F174 HydrophobicContact CG-CG 3.52Å; L148-F174 HydrophobicContact CG-CZ 4.49Å; L148-F280 HydrophobicContact CD1-CZ 4.02Å; L148-F288 HydrophobicContact CD1-CD2 4.42Å; L148-F288 HydrophobicContact CD1-CE2 3.93Å |
| 149 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.5 | -48.5 | 177.3 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | K145 Y151 Y152 H153 W167 W276 Y279 F280 | K145-V149 PolarHBondContact O-N 2.79Å; K145-V149 VanDerWaalsContact O-N 3.1Å; V149-Y151 PolarHBondContact O-N 3.32Å; V149-Y152 PolarHBondContact O-N 2.87Å; V149-H153 PolarHBondContact O-CD2 3.4Å; V149-H153 PolarHBondContact O-N 2.68Å; V149-W167 HydrophobicContact CB-CH2 4.35Å; V149-W167 HydrophobicContact CG2-CH2 3.47Å; V149-W167 VanDerWaalsContact CG2-CH2 3.47Å; V149-W167 HydrophobicContact CG2-CZ2 4.29Å; V149-W167 HydrophobicContact CG2-CZ3 4.13Å; V149-W276 HydrophobicContact CG2-CB 4.2Å; V149-Y279 HydrophobicContact CB-CD2 4.45Å; V149-Y279 HydrophobicContact CG1-CD1 4.21Å; V149-Y279 HydrophobicContact CG1-CD2 3.6Å; V149-Y279 HydrophobicContact CG1-CE1 4.16Å; V149-Y279 HydrophobicContact CG1-CE2 3.57Å; V149-Y279 HydrophobicContact CG1-CG 3.93Å; V149-Y279 HydrophobicContact CG2-CD2 3.89Å; V149-Y279 HydrophobicContact CG2-CG 3.84Å; V149-F280 HydrophobicContact CG2-CD2 4.41Å; V149-F280 HydrophobicContact CG2-CE2 4.06Å |
| 150 | S | 98.8 | Very high | 97.5 | Very high | 18 Ų | 18 | 13.3 Ų | 13.3 | 13% | 0.126 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.1 | -29 | -179.7 | -170 | 0 | 0 | 0 | 0 | 112.1 | D146 S147 L148 F154 | D146-S150 VanDerWaalsContact O-CB 3.29Å; D146-S150 WeakPolarHBondContact O-CB 3.31Å; D146-S150 PolarHBondContact O-N 3.39Å; S147-S150 PolarHBondContact O-N 3.41Å; L148-S150 VanDerWaalsContact C-N 3.31Å; L148-S150 PolarHBondContact O-N 3.12Å; S150-F154 WeakPolarHBondContact O-CB 3.27Å; S150-F154 PolarHBondContact O-N 3.22Å |
| 151 | Y | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -81.6 | -36.5 | -177.6 | -159.6 | -168.1 | 0 | 0 | 0 | 112.5 | Y54 A55 K56 S147 L148 V149 F154 H155 M161 F170 F174 V179 L180 W181 | Y54-Y151 HydrophobicContact CE1-CD1 4.13Å; Y54-Y151 HydrophobicContact CE1-CE1 4.2Å; A55-Y151 HydrophobicContact CB-CD2 4.25Å; A55-Y151 HydrophobicContact CB-CE1 4.11Å; A55-Y151 HydrophobicContact CB-CE2 3.78Å; K56-Y151 HydrophobicContact CD-CD2 4.35Å; K56-Y151 HydrophobicContact CG-CD2 3.82Å; K56-Y151 HydrophobicContact CG-CG 4.04Å; S147-Y151 WeakPolarHBondContact O-CB 3.17Å; S147-Y151 PolarHBondContact O-N 3.06Å; L148-Y151 PolarHBondContact O-N 3.29Å; V149-Y151 PolarHBondContact O-N 3.32Å; Y151-F154 HydrophobicContact CD2-CB 4.44Å; Y151-F154 HydrophobicContact CD2-CD1 4.11Å; Y151-F154 HydrophobicContact CE2-CD1 4.14Å; Y151-F154 PolarHBondContact O-N 2.77Å; Y151-H155 AromaticContact CD2-CE1 3.36Å; Y151-H155 WeakPolarHBondContact CD2-CE1 3.3Å; Y151-H155 AromaticContact CD2-ND1 3.35Å; Y151-H155 WeakPolarHBondContact CD2-ND1 3.47Å; Y151-H155 AromaticContact CE1-CE1 3.84Å; Y151-H155 AromaticContact CE2-CE1 3.09Å; Y151-H155 WeakPolarHBondContact CE2-CE1 3.41Å; Y151-H155 AromaticContact CE2-ND1 3.51Å; Y151-H155 AromaticContact CG-CE1 3.85Å; Y151-H155 AromaticContact CG-ND1 3.92Å; Y151-H155 AromaticContact CZ-CE1 3.32Å; Y151-H155 PolarHBondContact O-N 2.97Å; Y151-H155 PolarHBondContact O-ND1 3.2Å; Y151-M161 HydrophobicContact CE2-CE 3.61Å; Y151-F170 HydrophobicContact CD1-CZ 4.22Å; Y151-F170 HydrophobicContact CG-CZ 4.17Å; Y151-F174 HydrophobicContact CD1-CD2 4.3Å; Y151-F174 HydrophobicContact CD1-CE2 4.29Å; Y151-V179 HydrophobicContact CE1-CB 4.11Å; Y151-V179 HydrophobicContact CE1-CG2 3.91Å; Y151-L180 VanDerWaalsContact OH-CB 3.32Å; Y151-L180 WeakPolarHBondContact OH-CB 3.41Å; Y151-L180 PolarHBondContact OH-O 2.77Å; Y151-W181 HydrophobicContact CE2-CZ3 4.06Å; Y151-W181 AromaticContact CZ-CE3 3.95Å; Y151-W181 AromaticContact CZ-CZ3 3.88Å; Y151-W181 WeakPolarHBondContact OH-CZ3 3.42Å |
| 152 | Y | 98.8 | Very high | 97.1 | Very high | 31 Ų | 31 | 14.4 Ų | 14.4 | 12% | 0.122 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.4 | -50.4 | 170.5 | 176.9 | -116.3 | 0 | 0 | 0 | 111.5 | L148 V149 F154 H155 R156 P164 W167 F170 | L148-Y152 PolarHBondContact O-N 2.77Å; V149-Y152 PolarHBondContact O-N 2.87Å; Y152-F154 VanDerWaalsContact C-N 3.29Å; Y152-F154 PolarHBondContact O-N 2.95Å; Y152-H155 PolarHBondContact O-N 3.39Å; Y152-R156 HydrophobicContact CE2-CG 4.41Å; Y152-R156 WeakPolarHBondContact O-CG 3.5Å; Y152-R156 PolarHBondContact O-N 3.45Å; Y152-P164 HydrophobicContact CD2-CB 3.85Å; Y152-P164 HydrophobicContact CE2-CB 3.86Å; Y152-P164 HydrophobicContact CE2-CG 4.44Å; Y152-W167 AromaticContact CD1-CE3 3.6Å; Y152-W167 HydrophobicContact CD1-CE3 3.6Å; Y152-W167 HydrophobicContact CD1-CZ3 4.11Å; Y152-W167 HydrophobicContact CD2-CE3 4.3Å; Y152-W167 HydrophobicContact CE1-CB 4.24Å; Y152-W167 HydrophobicContact CE1-CE3 4.06Å; Y152-W167 AromaticContact CG-CE3 3.72Å; Y152-W167 HydrophobicContact CG-CE3 3.72Å; Y152-W167 HydrophobicContact CG-CZ3 4.08Å; Y152-W167 PolarHBondContact OH-N 3.34Å; Y152-F170 HydrophobicContact CD2-CB 3.66Å; Y152-F170 AromaticContact CD2-CD1 3.96Å; Y152-F170 HydrophobicContact CD2-CD1 3.96Å; Y152-F170 HydrophobicContact CD2-CD2 4.08Å; Y152-F170 AromaticContact CD2-CG 3.62Å; Y152-F170 HydrophobicContact CD2-CG 3.62Å; Y152-F170 HydrophobicContact CE2-CB 4.11Å; Y152-F170 HydrophobicContact CE2-CG 4.48Å; Y152-F170 HydrophobicContact CG-CD1 4.26Å; Y152-F170 HydrophobicContact CG-CG 4.37Å |
| 153 | H | 98.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 18.7 Ų | 18.7 | 8% | 0.083 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.2 | -35.5 | 176.6 | -79.8 | -69.3 | 0 | 0 | 0 | 113.2 | V149 R156 M157 Y279 | V149-H153 PolarHBondContact O-CD2 3.4Å; V149-H153 PolarHBondContact O-N 2.68Å; H153-R156 PolarHBondContact CE1-NH1 3.41Å; H153-R156 PolarHBondContact ND1-NH1 3.26Å; H153-R156 PolarHBondContact O-N 3.05Å; H153-M157 WeakPolarHBondContact O-CG 3.41Å; H153-M157 PolarHBondContact O-N 2.75Å; H153-M157 VanDerWaalsContact O-N 3.12Å; H153-Y279 AromaticContact NE2-CE1 3.14Å; H153-Y279 WeakPolarHBondContact NE2-CE1 3.19Å; H153-Y279 AromaticContact NE2-CZ 3.32Å; H153-Y279 VanDerWaalsContact NE2-CZ 3.32Å; H153-Y279 PolarHBondContact NE2-OH 3Å |
| 154 | F | 98.4 | Very high | 96.8 | Very high | 23 Ų | 23 | 19 Ų | 19 | 10% | 0.101 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.9 | -41.3 | 175.7 | -177.4 | -114.1 | 0 | 0 | 0 | 112.2 | K56 S150 Y151 Y152 M157 N158 M161 M260 F267 | K56-F154 HydrophobicContact CD-CB 3.79Å; K56-F154 HydrophobicContact CD-CD1 3.9Å; K56-F154 HydrophobicContact CD-CD2 4.37Å; K56-F154 HydrophobicContact CD-CG 3.76Å; K56-F154 HydrophobicContact CG-CB 4.45Å; K56-F154 VanDerWaalsContact NZ-CD2 3.26Å; S150-F154 WeakPolarHBondContact O-CB 3.27Å; S150-F154 PolarHBondContact O-N 3.22Å; Y151-F154 HydrophobicContact CD2-CB 4.44Å; Y151-F154 HydrophobicContact CD2-CD1 4.11Å; Y151-F154 HydrophobicContact CE2-CD1 4.14Å; Y151-F154 PolarHBondContact O-N 2.77Å; Y152-F154 VanDerWaalsContact C-N 3.29Å; Y152-F154 PolarHBondContact O-N 2.95Å; F154-M157 HydrophobicContact CD2-SD 3.97Å; F154-M157 HydrophobicContact CE2-SD 4.25Å; F154-M157 PolarHBondContact O-N 3.32Å; F154-N158 HydrophobicContact CD2-CB 4.44Å; F154-N158 HydrophobicContact CE2-CB 4.2Å; F154-N158 HydrophobicContact CZ-CB 4.3Å; F154-N158 WeakPolarHBondContact CZ-ND2 3.37Å; F154-N158 WeakPolarHBondContact O-CB 3.49Å; F154-N158 PolarHBondContact O-N 3.35Å; F154-M161 HydrophobicContact CD1-CE 4.13Å; F154-M161 HydrophobicContact CD1-CG 4.37Å; F154-M161 HydrophobicContact CD1-SD 4.23Å; F154-M161 HydrophobicContact CE1-CE 4.09Å; F154-M161 HydrophobicContact CE1-CG 4.18Å; F154-M161 HydrophobicContact CE1-SD 3.71Å; F154-M260 HydrophobicContact CE2-CE 4.05Å; F154-M260 HydrophobicContact CZ-CE 4.21Å; F154-F267 HydrophobicContact CD2-CD2 4.33Å; F154-F267 HydrophobicContact CD2-CE2 4.47Å; F154-F267 HydrophobicContact CE2-CD2 4.03Å; F154-F267 HydrophobicContact CE2-CE2 4Å |
| 155 | H | 97.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.019 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 172.1 | -77.6 | 79.2 | 0 | 0 | 0 | 110.4 | R17 Y151 Y152 M157 N158 M161 P162 P164 F170 | R17-H155 PolarHBondContact NH1-O 2.88Å; Y151-H155 AromaticContact CD2-CE1 3.36Å; Y151-H155 WeakPolarHBondContact CD2-CE1 3.3Å; Y151-H155 AromaticContact CD2-ND1 3.35Å; Y151-H155 WeakPolarHBondContact CD2-ND1 3.47Å; Y151-H155 AromaticContact CE1-CE1 3.84Å; Y151-H155 AromaticContact CE2-CE1 3.09Å; Y151-H155 WeakPolarHBondContact CE2-CE1 3.41Å; Y151-H155 AromaticContact CE2-ND1 3.51Å; Y151-H155 AromaticContact CG-CE1 3.85Å; Y151-H155 AromaticContact CG-ND1 3.92Å; Y151-H155 AromaticContact CZ-CE1 3.32Å; Y151-H155 PolarHBondContact O-N 2.97Å; Y151-H155 PolarHBondContact O-ND1 3.2Å; Y152-H155 PolarHBondContact O-N 3.39Å; H155-M157 VanDerWaalsContact C-N 3.33Å; H155-M157 PolarHBondContact O-N 2.91Å; H155-N158 PolarHBondContact O-N 3.23Å; H155-M161 HydrophobicContact CB-CB 4.3Å; H155-M161 VanDerWaalsContact CE1-CE 3.48Å; H155-M161 WeakPolarHBondContact CE1-CE 3.04Å; H155-M161 VanDerWaalsContact NE2-CE 3.34Å; H155-M161 WeakPolarHBondContact NE2-CE 3.3Å; H155-P162 PolarHBondContact CD2-O 3.32Å; H155-P164 HydrophobicContact CB-CB 3.75Å; H155-P164 HydrophobicContact CB-CG 3.92Å; H155-F170 HydrophobicContact CB-CE2 4.44Å; H155-F170 AromaticContact CE1-CE2 3.64Å; H155-F170 AromaticContact CE1-CZ 3.59Å; H155-F170 AromaticContact CG-CE2 3.85Å; H155-F170 AromaticContact ND1-CE2 3.59Å; H155-F170 AromaticContact ND1-CZ 3.53Å; H155-F170 AromaticContact NE2-CE2 3.99Å |
| 156 | R | 97.4 | Very high | 96.6 | Very high | 91 Ų | 91 | 22.7 Ų | 22.7 | 34% | 0.343 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -54.8 | -45.8 | -179.8 | -72.1 | 177.9 | 58.2 | -151.7 | -4.6 | 113.3 | R17 Y152 H153 P164 V264 | R17-R156 PolarHBondContact NH2-O 2.92Å; Y152-R156 HydrophobicContact CE2-CG 4.41Å; Y152-R156 WeakPolarHBondContact O-CG 3.5Å; Y152-R156 PolarHBondContact O-N 3.45Å; H153-R156 PolarHBondContact CE1-NH1 3.41Å; H153-R156 PolarHBondContact ND1-NH1 3.26Å; H153-R156 PolarHBondContact O-N 3.05Å; R156-P164 HydrophobicContact CG-CG 3.81Å; R156-V264 HydrophobicContact CB-CG1 4.04Å |
| 157 | M | 96.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -83.2 | -19.5 | -176.4 | 70.5 | 85 | 63.1 | 0 | 0 | 114.8 | H153 F154 H155 M260 D261 V264 S265 F267 | H153-M157 WeakPolarHBondContact O-CG 3.41Å; H153-M157 PolarHBondContact O-N 2.75Å; H153-M157 VanDerWaalsContact O-N 3.12Å; F154-M157 HydrophobicContact CD2-SD 3.97Å; F154-M157 HydrophobicContact CE2-SD 4.25Å; F154-M157 PolarHBondContact O-N 3.32Å; H155-M157 VanDerWaalsContact C-N 3.33Å; H155-M157 PolarHBondContact O-N 2.91Å; M157-M260 HydrophobicContact CE-CB 3.82Å; M157-M260 HydrophobicContact CE-CG 4.25Å; M157-M260 HydrophobicContact CE-SD 4.42Å; M157-M260 CarbonylContact O-C 3.47Å; M157-M260 WeakPolarHBondContact O-CA 3.27Å; M157-M260 HydrophobicContact SD-CB 4.22Å; M157-M260 HydrophobicContact SD-CG 4.08Å; M157-M260 HydrophobicContact SD-SD 4.35Å; M157-D261 WeakPolarHBondContact CB-O 3.1Å; M157-D261 PolarHBondContact O-N 3.15Å; M157-V264 HydrophobicContact CB-CB 4.34Å; M157-V264 HydrophobicContact CB-CG1 4.4Å; M157-S265 VanDerWaalsContact CB-O 3.3Å; M157-S265 WeakPolarHBondContact CB-O 3.49Å; M157-S265 VanDerWaalsContact CE-O 3.22Å; M157-S265 WeakPolarHBondContact CE-O 3.44Å; M157-S265 WeakPolarHBondContact CG-O 3.43Å; M157-F267 HydrophobicContact CE-CB 4.44Å |
| 158 | N | 94.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -107 | 104.5 | -175.6 | -175 | 5.9 | 0 | 0 | 0 | 110.9 | R17 F154 H155 I160 M161 I259 M260 | R17-N158 PolarHBondContact NH1-O 3.04Å; F154-N158 HydrophobicContact CD2-CB 4.44Å; F154-N158 HydrophobicContact CE2-CB 4.2Å; F154-N158 HydrophobicContact CZ-CB 4.3Å; F154-N158 WeakPolarHBondContact CZ-ND2 3.37Å; F154-N158 WeakPolarHBondContact O-CB 3.49Å; F154-N158 PolarHBondContact O-N 3.35Å; H155-N158 PolarHBondContact O-N 3.23Å; N158-I160 PolarHBondContact O-N 3.31Å; N158-I160 WeakPolarHBondContact OD1-CG1 3.42Å; N158-M161 HydrophobicContact CB-CG 3.65Å; N158-M161 WeakPolarHBondContact ND2-CG 3.41Å; N158-M161 VanDerWaalsContact O-CB 3.3Å; N158-M161 WeakPolarHBondContact O-CB 3.38Å; N158-M161 WeakPolarHBondContact O-CG 3.35Å; N158-M161 PolarHBondContact O-N 3.21Å; N158-I259 VanDerWaalsContact OD1-CG2 3.31Å; N158-I259 WeakPolarHBondContact OD1-CG2 3.32Å; N158-M260 HydrophobicContact CB-CG 4.37Å |
| 159 | N | 90.8 | Very high | 96.6 | Very high | 43 Ų | 43 | 33.3 Ų | 33.3 | 23% | 0.23 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -13.2 | -171.1 | -69.6 | -29 | 0 | 0 | 0 | 114.6 | V15 R17 M161 I259 | V15-N159 HydrophobicContact CB-CB 4.13Å; V15-N159 HydrophobicContact CG1-CB 4.01Å; R17-N159 WeakPolarHBondContact CA-O 3.48Å; R17-N159 PolarHBondContact NH2-OD1 3.38Å; N159-M161 VanDerWaalsContact C-N 3.33Å; N159-I259 WeakPolarHBondContact CB-O 3.41Å; N159-I259 PolarHBondContact N-O 3.15Å |
| 160 | I | 89.6 | Confident | 96.6 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 11% | 0.108 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 10.2 | 171.6 | 60.9 | 179.8 | 0 | 0 | 0 | 113.1 | V15 A18 W92 L94 N158 I259 | V15-I160 HydrophobicContact CG1-CG2 3.5Å; A18-I160 WeakPolarHBondContact CB-O 3.22Å; W92-I160 HydrophobicContact CH2-CD1 4.27Å; W92-I160 HydrophobicContact CH2-CG1 4.45Å; W92-I160 HydrophobicContact CZ2-CD1 3.36Å; W92-I160 HydrophobicContact CZ2-CG1 3.95Å; L94-I160 HydrophobicContact CD2-CD1 3.23Å; N158-I160 PolarHBondContact O-N 3.31Å; N158-I160 WeakPolarHBondContact OD1-CG1 3.42Å; I160-I259 HydrophobicContact CB-CG2 4.31Å; I160-I259 HydrophobicContact CD1-CG2 3.6Å; I160-I259 HydrophobicContact CG1-CG2 3.58Å; I160-I259 HydrophobicContact CG2-CD1 4.48Å; I160-I259 HydrophobicContact CG2-CG1 4.31Å; I160-I259 HydrophobicContact CG2-CG2 3.92Å |
| 161 | M | 93.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -88.5 | 155.2 | 164.1 | -59.4 | -66.5 | -64.2 | 0 | 0 | 109.5 | R17 A18 W92 Y151 F154 H155 N158 N159 L180 W181 | R17-M161 WeakPolarHBondContact CD-O 3.5Å; A18-M161 PolarHBondContact N-O 2.96Å; W92-M161 HydrophobicContact CH2-SD 4.28Å; Y151-M161 HydrophobicContact CE2-CE 3.61Å; F154-M161 HydrophobicContact CD1-CE 4.13Å; F154-M161 HydrophobicContact CD1-CG 4.37Å; F154-M161 HydrophobicContact CD1-SD 4.23Å; F154-M161 HydrophobicContact CE1-CE 4.09Å; F154-M161 HydrophobicContact CE1-CG 4.18Å; F154-M161 HydrophobicContact CE1-SD 3.71Å; H155-M161 HydrophobicContact CB-CB 4.3Å; H155-M161 VanDerWaalsContact CE1-CE 3.48Å; H155-M161 WeakPolarHBondContact CE1-CE 3.04Å; H155-M161 VanDerWaalsContact NE2-CE 3.34Å; H155-M161 WeakPolarHBondContact NE2-CE 3.3Å; N158-M161 HydrophobicContact CB-CG 3.65Å; N158-M161 WeakPolarHBondContact ND2-CG 3.41Å; N158-M161 VanDerWaalsContact O-CB 3.3Å; N158-M161 WeakPolarHBondContact O-CB 3.38Å; N158-M161 WeakPolarHBondContact O-CG 3.35Å; N158-M161 PolarHBondContact O-N 3.21Å; N159-M161 VanDerWaalsContact C-N 3.33Å; M161-L180 HydrophobicContact CE-CD1 3.54Å; M161-L180 HydrophobicContact CE-CG 4.24Å; M161-L180 HydrophobicContact SD-CD1 3.88Å; M161-W181 HydrophobicContact CE-CZ3 4.33Å |
| 162 | P | 94.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 156.6 | 168.1 | -24.2 | 34.6 | 0 | 0 | 0 | 111.5 | A18 T20 H155 P164 L180 | A18-P162 WeakPolarHBondContact O-CA 3.43Å; T20-P162 HydrophobicContact CG2-CB 4.21Å; T20-P162 HydrophobicContact CG2-CG 3.37Å; H155-P162 PolarHBondContact CD2-O 3.32Å; P162-P164 WeakPolarHBondContact O-CD 3.44Å; P162-L180 HydrophobicContact CG-CD1 4.43Å; P162-L180 HydrophobicContact CG-CD2 3.98Å; P162-L180 HydrophobicContact CG-CG 4.11Å |
| 163 | D | 95.3 | Very high | 96.6 | Very high | 103 Ų | 103 | 38.8 Ų | 38.8 | 55% | 0.551 | 19% | 0.194 | S | C | * | . | P | Polyproline II helix | trans | -62.3 | 120.2 | 175.5 | -172 | -11.1 | 0 | 0 | 0 | 110.1 | R17 G165 K173 | R17-D163 HydrophobicContact CG-CB 4.42Å; D163-G165 PolarHBondContact O-N 2.81Å; D163-G165 PolarHBondContact OD1-N 3.34Å; D163-K173 PolarHBondContact O-NZ 3.47Å |
| 164 | P | 96.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | trans | -62.9 | -30 | 177.5 | 24.4 | -32.1 | 0 | 0 | 0 | 112.6 | Y152 H155 R156 P162 F170 K173 | Y152-P164 HydrophobicContact CD2-CB 3.85Å; Y152-P164 HydrophobicContact CE2-CB 3.86Å; Y152-P164 HydrophobicContact CE2-CG 4.44Å; H155-P164 HydrophobicContact CB-CB 3.75Å; H155-P164 HydrophobicContact CB-CG 3.92Å; R156-P164 HydrophobicContact CG-CG 3.81Å; P162-P164 WeakPolarHBondContact O-CD 3.44Å; P164-F170 HydrophobicContact CB-CD2 3.78Å; P164-F170 HydrophobicContact CB-CE2 4.22Å; P164-K173 PolarHBondContact O-NZ 3.16Å; P164-K173 VanDerWaalsContact O-NZ 3.09Å | ||
| 165 | G | 96.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 37.4 Ų | 37.4 | 27% | 0.268 | 19% | 0.188 | S | C | . | . | trans | 69.6 | -153.5 | -163.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D163 | D163-G165 PolarHBondContact O-N 2.81Å; D163-G165 PolarHBondContact OD1-N 3.34Å | ||
| 166 | T | 98.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 40% | 0.399 | 21% | 0.212 | S | C | . | . | trans | -70.7 | 165.8 | 173.2 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | E168 E169 F170 | T166-E168 VanDerWaalsContact C-N 3.31Å; T166-E168 PolarHBondContact O-N 2.92Å; T166-E169 WeakPolarHBondContact CB-OE2 3.45Å; T166-E169 PolarHBondContact N-OE2 2.93Å; T166-E169 PolarHBondContact O-N 3.09Å; T166-E169 WeakPolarHBondContact OG1-CB 3.36Å; T166-E169 WeakPolarHBondContact OG1-CG 3.33Å; T166-E169 PolarHBondContact OG1-N 3.5Å; T166-E169 PolarHBondContact OG1-OE2 2.66Å; T166-F170 WeakPolarHBondContact O-CB 3.32Å; T166-F170 PolarHBondContact O-N 2.87Å | ||
| 167 | W | 98.5 | Very high | 96.6 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 175.5 | 167.4 | -112.6 | 0 | 0 | 0 | 111.4 | L148 V149 Y152 F170 V171 Y279 F280 Q284 | L148-W167 HydrophobicContact CD2-CE3 4.36Å; L148-W167 HydrophobicContact CD2-CH2 3.34Å; L148-W167 HydrophobicContact CD2-CZ2 4.28Å; L148-W167 HydrophobicContact CD2-CZ3 3.39Å; V149-W167 HydrophobicContact CB-CH2 4.35Å; V149-W167 HydrophobicContact CG2-CH2 3.47Å; V149-W167 VanDerWaalsContact CG2-CH2 3.47Å; V149-W167 HydrophobicContact CG2-CZ2 4.29Å; V149-W167 HydrophobicContact CG2-CZ3 4.13Å; Y152-W167 AromaticContact CD1-CE3 3.6Å; Y152-W167 HydrophobicContact CD1-CE3 3.6Å; Y152-W167 HydrophobicContact CD1-CZ3 4.11Å; Y152-W167 HydrophobicContact CD2-CE3 4.3Å; Y152-W167 HydrophobicContact CE1-CB 4.24Å; Y152-W167 HydrophobicContact CE1-CE3 4.06Å; Y152-W167 AromaticContact CG-CE3 3.72Å; Y152-W167 HydrophobicContact CG-CE3 3.72Å; Y152-W167 HydrophobicContact CG-CZ3 4.08Å; Y152-W167 PolarHBondContact OH-N 3.34Å; W167-F170 PolarHBondContact O-N 3.37Å; W167-V171 HydrophobicContact CD2-CG2 4.06Å; W167-V171 HydrophobicContact CE3-CG2 4.42Å; W167-V171 HydrophobicContact CH2-CG2 4.05Å; W167-V171 HydrophobicContact CZ2-CG2 3.64Å; W167-V171 HydrophobicContact CZ3-CG2 4.42Å; W167-V171 WeakPolarHBondContact O-CG2 3.23Å; W167-V171 PolarHBondContact O-N 2.94Å; W167-Y279 PolarHBondContact NE1-O 2.67Å; W167-F280 HydrophobicContact CH2-CD2 4.26Å; W167-F280 AromaticContact CH2-CE2 3.86Å; W167-F280 HydrophobicContact CH2-CE2 3.86Å; W167-F280 HydrophobicContact CH2-CZ 4.47Å; W167-F280 AromaticContact CZ2-CD2 3.77Å; W167-F280 HydrophobicContact CZ2-CD2 3.77Å; W167-F280 AromaticContact CZ2-CE2 3.74Å; W167-F280 HydrophobicContact CZ2-CE2 3.74Å; W167-F280 HydrophobicContact CZ2-CG 4.37Å; W167-F280 HydrophobicContact CZ2-CZ 4.32Å; W167-Q284 VanDerWaalsContact NE1-OE1 3.07Å |
| 168 | E | 98.5 | Very high | 96.7 | Very high | 102 Ų | 102 | 43.6 Ų | 43.6 | 48% | 0.477 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.5 | -48.7 | -179.8 | -66.6 | 63.4 | -142.1 | 0 | 0 | 111 | T166 F170 V171 E172 | T166-E168 VanDerWaalsContact C-N 3.31Å; T166-E168 PolarHBondContact O-N 2.92Å; E168-F170 VanDerWaalsContact C-N 3.3Å; E168-F170 PolarHBondContact O-N 3.06Å; E168-V171 PolarHBondContact O-N 3.37Å; E168-E172 PolarHBondContact O-N 3.37Å |
| 169 | E | 98.4 | Very high | 96.9 | Very high | 100 Ų | 100 | 44 Ų | 44 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 176.3 | -70.6 | 164.9 | 145.5 | 0 | 0 | 111.7 | T166 E172 K173 | T166-E169 WeakPolarHBondContact CB-OE2 3.45Å; T166-E169 PolarHBondContact N-OE2 2.93Å; T166-E169 PolarHBondContact O-N 3.09Å; T166-E169 WeakPolarHBondContact OG1-CB 3.36Å; T166-E169 WeakPolarHBondContact OG1-CG 3.33Å; T166-E169 PolarHBondContact OG1-N 3.5Å; T166-E169 PolarHBondContact OG1-OE2 2.66Å; E169-E172 PolarHBondContact O-N 3.27Å; E169-K173 VanDerWaalsContact O-CG 3.32Å; E169-K173 WeakPolarHBondContact O-CG 3.3Å; E169-K173 PolarHBondContact O-N 2.77Å |
| 170 | F | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.1 | -36.9 | 179.9 | -165.4 | -92.2 | 0 | 0 | 0 | 112.5 | L148 Y151 Y152 H155 P164 T166 W167 E168 K173 F174 V179 | L148-F170 HydrophobicContact CD2-CD1 3.86Å; L148-F170 HydrophobicContact CD2-CE1 4.21Å; Y151-F170 HydrophobicContact CD1-CZ 4.22Å; Y151-F170 HydrophobicContact CG-CZ 4.17Å; Y152-F170 HydrophobicContact CD2-CB 3.66Å; Y152-F170 AromaticContact CD2-CD1 3.96Å; Y152-F170 HydrophobicContact CD2-CD1 3.96Å; Y152-F170 HydrophobicContact CD2-CD2 4.08Å; Y152-F170 AromaticContact CD2-CG 3.62Å; Y152-F170 HydrophobicContact CD2-CG 3.62Å; Y152-F170 HydrophobicContact CE2-CB 4.11Å; Y152-F170 HydrophobicContact CE2-CG 4.48Å; Y152-F170 HydrophobicContact CG-CD1 4.26Å; Y152-F170 HydrophobicContact CG-CG 4.37Å; H155-F170 HydrophobicContact CB-CE2 4.44Å; H155-F170 AromaticContact CE1-CE2 3.64Å; H155-F170 AromaticContact CE1-CZ 3.59Å; H155-F170 AromaticContact CG-CE2 3.85Å; H155-F170 AromaticContact ND1-CE2 3.59Å; H155-F170 AromaticContact ND1-CZ 3.53Å; H155-F170 AromaticContact NE2-CE2 3.99Å; P164-F170 HydrophobicContact CB-CD2 3.78Å; P164-F170 HydrophobicContact CB-CE2 4.22Å; T166-F170 WeakPolarHBondContact O-CB 3.32Å; T166-F170 PolarHBondContact O-N 2.87Å; W167-F170 PolarHBondContact O-N 3.37Å; E168-F170 VanDerWaalsContact C-N 3.3Å; E168-F170 PolarHBondContact O-N 3.06Å; F170-K173 PolarHBondContact O-N 3.26Å; F170-F174 WeakPolarHBondContact O-CB 3.48Å; F170-F174 PolarHBondContact O-N 3.33Å; F170-V179 HydrophobicContact CE2-CG1 4.16Å; F170-V179 HydrophobicContact CZ-CG1 4.18Å |
| 171 | V | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 173.1 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | L148 W167 E168 F174 M175 | L148-V171 HydrophobicContact CD1-CG1 4.46Å; L148-V171 HydrophobicContact CD1-CG2 4.24Å; L148-V171 HydrophobicContact CD2-CG2 3.9Å; W167-V171 HydrophobicContact CD2-CG2 4.06Å; W167-V171 HydrophobicContact CE3-CG2 4.42Å; W167-V171 HydrophobicContact CH2-CG2 4.05Å; W167-V171 HydrophobicContact CZ2-CG2 3.64Å; W167-V171 HydrophobicContact CZ3-CG2 4.42Å; W167-V171 WeakPolarHBondContact O-CG2 3.23Å; W167-V171 PolarHBondContact O-N 2.94Å; E168-V171 PolarHBondContact O-N 3.37Å; V171-F174 PolarHBondContact O-N 2.84Å; V171-M175 HydrophobicContact CG1-CG 4.44Å; V171-M175 HydrophobicContact CG1-SD 3.87Å; V171-M175 VanDerWaalsContact O-CG 3.3Å; V171-M175 WeakPolarHBondContact O-CG 3.49Å; V171-M175 PolarHBondContact O-N 3.27Å |
| 172 | E | 98.6 | Very high | 97.8 | Very high | 86 Ų | 86 | 41.5 Ų | 41.5 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 178.4 | -61.5 | -59.1 | 140.2 | 0 | 0 | 112.2 | E168 E169 F174 M175 A176 K287 | E168-E172 PolarHBondContact O-N 3.37Å; E169-E172 PolarHBondContact O-N 3.27Å; E172-F174 VanDerWaalsContact C-N 3.33Å; E172-F174 PolarHBondContact O-N 3.02Å; E172-M175 PolarHBondContact O-N 3.39Å; E172-A176 WeakPolarHBondContact O-CB 3.41Å; E172-A176 PolarHBondContact O-N 3.48Å; E172-K287 WeakPolarHBondContact OE1-CE 3.34Å; E172-K287 IonicContact OE1-NZ 3.11Å; E172-K287 PolarHBondContact OE1-NZ 3Å; E172-K287 IonicContact OE2-NZ 3.28Å; E172-K287 PolarHBondContact OE2-NZ 2.85Å |
| 173 | K | 98.4 | Very high | 98 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 175.9 | -73.8 | 172 | -173.4 | 169.5 | 0 | 111.1 | D163 P164 E169 F170 A176 G177 K178 V179 | D163-K173 PolarHBondContact O-NZ 3.47Å; P164-K173 PolarHBondContact O-NZ 3.16Å; P164-K173 VanDerWaalsContact O-NZ 3.09Å; E169-K173 VanDerWaalsContact O-CG 3.32Å; E169-K173 WeakPolarHBondContact O-CG 3.3Å; E169-K173 PolarHBondContact O-N 2.77Å; F170-K173 PolarHBondContact O-N 3.26Å; K173-A176 PolarHBondContact O-N 3.43Å; K173-G177 PolarHBondContact O-N 3.34Å; K173-G177 VanDerWaalsContact O-N 3.13Å; K173-K178 PolarHBondContact O-N 2.97Å; K173-V179 HydrophobicContact CB-CG1 4.08Å |
| 174 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | 179.2 | -176.9 | -80.7 | 0 | 0 | 0 | 111.8 | Y54 A144 L148 Y151 F170 V171 E172 A176 G177 V179 W184 F288 | Y54-F174 AromaticContact CE1-CE2 3.79Å; Y54-F174 HydrophobicContact CE1-CE2 3.79Å; Y54-F174 HydrophobicContact CE1-CZ 4.25Å; Y54-F174 WeakPolarHBondContact OH-CE2 3.34Å; A144-F174 HydrophobicContact CB-CE1 4.42Å; L148-F174 HydrophobicContact CB-CD1 4.16Å; L148-F174 HydrophobicContact CB-CD2 4.03Å; L148-F174 HydrophobicContact CB-CE1 4.13Å; L148-F174 HydrophobicContact CB-CE2 3.97Å; L148-F174 HydrophobicContact CB-CG 4.12Å; L148-F174 HydrophobicContact CB-CZ 4.03Å; L148-F174 HydrophobicContact CD1-CB 3.74Å; L148-F174 HydrophobicContact CD1-CD1 3.44Å; L148-F174 VanDerWaalsContact CD1-CD1 3.44Å; L148-F174 HydrophobicContact CD1-CD2 4.32Å; L148-F174 HydrophobicContact CD1-CE1 4.08Å; L148-F174 HydrophobicContact CD1-CG 3.58Å; L148-F174 HydrophobicContact CG-CB 3.81Å; L148-F174 HydrophobicContact CG-CD1 3.81Å; L148-F174 HydrophobicContact CG-CD2 3.76Å; L148-F174 HydrophobicContact CG-CE1 4.3Å; L148-F174 HydrophobicContact CG-CE2 4.23Å; L148-F174 HydrophobicContact CG-CG 3.52Å; L148-F174 HydrophobicContact CG-CZ 4.49Å; Y151-F174 HydrophobicContact CD1-CD2 4.3Å; Y151-F174 HydrophobicContact CD1-CE2 4.29Å; F170-F174 WeakPolarHBondContact O-CB 3.48Å; F170-F174 PolarHBondContact O-N 3.33Å; V171-F174 PolarHBondContact O-N 2.84Å; E172-F174 VanDerWaalsContact C-N 3.33Å; E172-F174 PolarHBondContact O-N 3.02Å; F174-A176 PolarHBondContact O-N 3.48Å; F174-G177 PolarHBondContact O-N 3.24Å; F174-V179 HydrophobicContact CD2-CG2 4.35Å; F174-W184 HydrophobicContact CE1-CB 3.95Å; F174-W184 HydrophobicContact CE1-CG 4.39Å; F174-W184 HydrophobicContact CE2-CB 4.34Å; F174-W184 HydrophobicContact CZ-CB 3.56Å; F174-W184 AromaticContact CZ-CG 3.88Å; F174-W184 HydrophobicContact CZ-CG 3.88Å; F174-F288 HydrophobicContact CD1-CE2 4.3Å; F174-F288 HydrophobicContact CE1-CE2 4.37Å; F174-F288 HydrophobicContact CE1-CZ 4.46Å |
| 175 | M | 98.7 | Very high | 98.3 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -37.6 | 177.6 | -71.5 | 176.4 | 65.4 | 0 | 0 | 111.4 | V171 E172 G177 K287 F288 D291 K295 | V171-M175 HydrophobicContact CG1-CG 4.44Å; V171-M175 HydrophobicContact CG1-SD 3.87Å; V171-M175 VanDerWaalsContact O-CG 3.3Å; V171-M175 WeakPolarHBondContact O-CG 3.49Å; V171-M175 PolarHBondContact O-N 3.27Å; E172-M175 PolarHBondContact O-N 3.39Å; M175-G177 VanDerWaalsContact C-N 3.25Å; M175-G177 PolarHBondContact O-N 2.92Å; M175-K287 HydrophobicContact CE-CG 4.26Å; M175-F288 HydrophobicContact CG-CD2 3.68Å; M175-F288 HydrophobicContact CG-CE2 3.87Å; M175-F288 HydrophobicContact SD-CB 4.46Å; M175-F288 HydrophobicContact SD-CD2 3.83Å; M175-D291 HydrophobicContact CE-CB 3.36Å; M175-K295 PolarHBondContact O-NZ 2.9Å |
| 176 | A | 98.3 | Very high | 98.4 | Very high | 62 Ų | 62 | 39.5 Ų | 39.5 | 51% | 0.512 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -4.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E172 K173 F174 K178 | E172-A176 WeakPolarHBondContact O-CB 3.41Å; E172-A176 PolarHBondContact O-N 3.48Å; K173-A176 PolarHBondContact O-N 3.43Å; F174-A176 PolarHBondContact O-N 3.48Å; A176-K178 HydrophobicContact CB-CD 4.29Å; A176-K178 HydrophobicContact CB-CG 4.04Å; A176-K178 PolarHBondContact O-N 3.32Å |
| 177 | G | 98.1 | Very high | 98.5 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 17.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K173 F174 M175 V179 G182 | K173-G177 PolarHBondContact O-N 3.34Å; K173-G177 VanDerWaalsContact O-N 3.13Å; F174-G177 PolarHBondContact O-N 3.24Å; M175-G177 VanDerWaalsContact C-N 3.25Å; M175-G177 PolarHBondContact O-N 2.92Å; G177-V179 VanDerWaalsContact C-N 3.27Å; G177-V179 PolarHBondContact O-N 2.83Å; G177-G182 CarbonylContact O-C 3.55Å; G177-G182 WeakPolarHBondContact O-CA 3.01Å |
| 178 | K | 97.4 | Very high | 98.5 | Very high | 154 Ų | 154 | 35.5 Ų | 35.5 | 67% | 0.67 | 18% | 0.184 | S | C | * | . | trans | -92.7 | 49.5 | -179.3 | -63.3 | -173.5 | 176.6 | -174.1 | 0 | 111.7 | K173 A176 | K173-K178 PolarHBondContact O-N 2.97Å; A176-K178 HydrophobicContact CB-CD 4.29Å; A176-K178 HydrophobicContact CB-CG 4.04Å; A176-K178 PolarHBondContact O-N 3.32Å | ||
| 179 | V | 98 | Very high | 98.5 | Very high | 8 Ų | 8 | 31.6 Ų | 31.6 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -132.6 | 165.7 | 175.3 | -66 | 0 | 0 | 0 | 0 | 108.4 | Y54 Y151 F170 K173 F174 G177 W181 G182 | Y54-V179 VanDerWaalsContact OH-CG2 3.27Å; Y54-V179 WeakPolarHBondContact OH-CG2 3.5Å; Y151-V179 HydrophobicContact CE1-CB 4.11Å; Y151-V179 HydrophobicContact CE1-CG2 3.91Å; F170-V179 HydrophobicContact CE2-CG1 4.16Å; F170-V179 HydrophobicContact CZ-CG1 4.18Å; K173-V179 HydrophobicContact CB-CG1 4.08Å; F174-V179 HydrophobicContact CD2-CG2 4.35Å; G177-V179 VanDerWaalsContact C-N 3.27Å; G177-V179 PolarHBondContact O-N 2.83Å; V179-W181 PolarHBondContact O-N 2.93Å; V179-G182 WeakPolarHBondContact O-CA 3.49Å; V179-G182 PolarHBondContact O-N 2.91Å |
| 180 | L | 97.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 143.4 | 179.9 | -55.5 | -178.5 | 0 | 0 | 0 | 111.1 | T20 T27 T29 Y151 M161 P162 G182 | T20-L180 HydrophobicContact CG2-CD2 3.69Å; T27-L180 HydrophobicContact CG2-CD2 4.44Å; T27-L180 CarbonylContact O-C 3.56Å; T27-L180 WeakPolarHBondContact O-CA 3.48Å; T29-L180 HydrophobicContact CG2-CD1 3.59Å; T29-L180 HydrophobicContact CG2-CD2 3.84Å; T29-L180 HydrophobicContact CG2-CG 4.4Å; Y151-L180 VanDerWaalsContact OH-CB 3.32Å; Y151-L180 WeakPolarHBondContact OH-CB 3.41Å; Y151-L180 PolarHBondContact OH-O 2.77Å; M161-L180 HydrophobicContact CE-CD1 3.54Å; M161-L180 HydrophobicContact CE-CG 4.24Å; M161-L180 HydrophobicContact SD-CD1 3.88Å; P162-L180 HydrophobicContact CG-CD1 4.43Å; P162-L180 HydrophobicContact CG-CD2 3.98Å; P162-L180 HydrophobicContact CG-CG 4.11Å; L180-G182 PolarHBondContact O-N 3.1Å |
| 181 | W | 98.3 | Very high | 98.5 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 8.8 | -173.2 | -49.5 | -77.4 | 0 | 0 | 0 | 114.8 | T27 L28 A55 F89 E91 W92 H120 Y151 M161 V179 | T27-W181 PolarHBondContact O-N 2.97Å; L28-W181 HydrophobicContact CD2-CG 4.37Å; A55-W181 HydrophobicContact CB-CE3 3.62Å; A55-W181 HydrophobicContact CB-CZ3 3.63Å; F89-W181 HydrophobicContact CE2-CZ2 4.16Å; F89-W181 HydrophobicContact CZ-CH2 4.42Å; F89-W181 AromaticContact CZ-CZ2 3.66Å; F89-W181 HydrophobicContact CZ-CZ2 3.66Å; E91-W181 PolarHBondContact OE1-NE1 3.32Å; W92-W181 HydrophobicContact CE3-CZ2 4.32Å; W92-W181 HydrophobicContact CZ3-CH2 4.1Å; W92-W181 AromaticContact CZ3-CZ2 3.96Å; W92-W181 HydrophobicContact CZ3-CZ2 3.96Å; H120-W181 HydrophobicContact CB-CD2 3.63Å; H120-W181 HydrophobicContact CB-CE3 4.33Å; H120-W181 HydrophobicContact CB-CG 3.7Å; H120-W181 HydrophobicContact CB-CZ2 4.14Å; H120-W181 AromaticContact CD2-CH2 3.85Å; H120-W181 AromaticContact CD2-CZ2 3.8Å; H120-W181 WeakPolarHBondContact O-CB 3.25Å; Y151-W181 HydrophobicContact CE2-CZ3 4.06Å; Y151-W181 AromaticContact CZ-CE3 3.95Å; Y151-W181 AromaticContact CZ-CZ3 3.88Å; Y151-W181 WeakPolarHBondContact OH-CZ3 3.42Å; M161-W181 HydrophobicContact CE-CZ3 4.33Å; V179-W181 PolarHBondContact O-N 2.93Å |
| 182 | G | 98.4 | Very high | 98.5 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 6% | 0.062 | 16% | 0.159 | C | C | . | . | trans | 77.1 | -147.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115 | Y54 G177 V179 L180 W184 | Y54-G182 PolarHBondContact OH-O 2.67Å; G177-G182 CarbonylContact O-C 3.55Å; G177-G182 WeakPolarHBondContact O-CA 3.01Å; V179-G182 WeakPolarHBondContact O-CA 3.49Å; V179-G182 PolarHBondContact O-N 2.91Å; L180-G182 PolarHBondContact O-N 3.1Å; G182-W184 PolarHBondContact O-N 2.88Å | ||
| 183 | S | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 17% | 0.168 | 16% | 0.164 | C | C | . | . | trans | -69.8 | 117.9 | -176.7 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | Y185 D186 H187 | S183-Y185 PolarHBondContact O-N 2.8Å; S183-Y185 PolarHBondContact OG-N 2.78Å; S183-D186 WeakPolarHBondContact CB-OD2 3.36Å; S183-D186 PolarHBondContact O-N 3.33Å; S183-D186 PolarHBondContact OG-N 3.37Å; S183-D186 PolarHBondContact OG-OD2 2.7Å; S183-H187 VanDerWaalsContact O-CB 3.3Å; S183-H187 WeakPolarHBondContact O-CB 3.29Å; S183-H187 PolarHBondContact O-N 2.87Å | ||
| 184 | W | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.7 | -40.5 | 170.8 | 173.6 | 92.7 | 0 | 0 | 0 | 111.5 | Y54 R142 A144 F174 G182 H187 V188 Y292 M296 F303 | Y54-W184 HydrophobicContact CD1-CB 4.45Å; Y54-W184 AromaticContact CD1-CD1 3.52Å; Y54-W184 HydrophobicContact CD1-CG 4.37Å; Y54-W184 HydrophobicContact CD2-CB 4.43Å; Y54-W184 HydrophobicContact CE1-CB 4.12Å; Y54-W184 AromaticContact CE1-CD1 3.88Å; Y54-W184 HydrophobicContact CE1-CG 4.42Å; Y54-W184 HydrophobicContact CE2-CB 4.1Å; Y54-W184 AromaticContact CG-CD1 3.82Å; R142-W184 VanDerWaalsContact O-CZ2 3.32Å; R142-W184 WeakPolarHBondContact O-CZ2 3.4Å; R142-W184 PolarHBondContact O-NE1 2.85Å; R142-W184 VanDerWaalsContact O-NE1 3.15Å; A144-W184 HydrophobicContact CB-CD2 3.6Å; A144-W184 HydrophobicContact CB-CE3 3.57Å; A144-W184 HydrophobicContact CB-CG 4.36Å; A144-W184 HydrophobicContact CB-CH2 3.79Å; A144-W184 HydrophobicContact CB-CZ2 3.77Å; A144-W184 HydrophobicContact CB-CZ3 3.68Å; F174-W184 HydrophobicContact CE1-CB 3.95Å; F174-W184 HydrophobicContact CE1-CG 4.39Å; F174-W184 HydrophobicContact CE2-CB 4.34Å; F174-W184 HydrophobicContact CZ-CB 3.56Å; F174-W184 AromaticContact CZ-CG 3.88Å; F174-W184 HydrophobicContact CZ-CG 3.88Å; G182-W184 PolarHBondContact O-N 2.88Å; W184-H187 PolarHBondContact O-N 3.03Å; W184-V188 HydrophobicContact CD2-CG1 4.24Å; W184-V188 HydrophobicContact CD2-CG2 4.37Å; W184-V188 HydrophobicContact CE3-CG2 4.22Å; W184-V188 HydrophobicContact CH2-CG2 3.87Å; W184-V188 HydrophobicContact CZ2-CG1 3.89Å; W184-V188 HydrophobicContact CZ2-CG2 4.05Å; W184-V188 HydrophobicContact CZ3-CG2 3.96Å; W184-V188 WeakPolarHBondContact O-CG2 3.42Å; W184-V188 PolarHBondContact O-N 2.96Å; W184-Y292 AromaticContact CH2-CE2 3.65Å; W184-Y292 HydrophobicContact CH2-CE2 3.65Å; W184-Y292 HydrophobicContact CZ3-CD2 4.17Å; W184-Y292 AromaticContact CZ3-CE2 3.5Å; W184-Y292 HydrophobicContact CZ3-CE2 3.5Å; W184-Y292 VanDerWaalsContact CZ3-CE2 3.5Å; W184-M296 HydrophobicContact CH2-CE 4.2Å; W184-M296 HydrophobicContact CZ3-CE 4.1Å; W184-M296 HydrophobicContact CZ3-SD 4.02Å; W184-F303 AromaticContact CH2-CD2 3.87Å; W184-F303 HydrophobicContact CH2-CD2 3.87Å; W184-F303 AromaticContact CH2-CE2 3.63Å; W184-F303 HydrophobicContact CH2-CE2 3.63Å; W184-F303 HydrophobicContact CH2-CG 4.43Å; W184-F303 HydrophobicContact CH2-CZ 4.01Å; W184-F303 HydrophobicContact CZ2-CD1 4.39Å; W184-F303 HydrophobicContact CZ2-CD2 4.24Å; W184-F303 HydrophobicContact CZ2-CE1 4.03Å; W184-F303 AromaticContact CZ2-CE2 3.87Å; W184-F303 HydrophobicContact CZ2-CE2 3.87Å; W184-F303 HydrophobicContact CZ2-CG 4.47Å; W184-F303 AromaticContact CZ2-CZ 3.75Å; W184-F303 HydrophobicContact CZ2-CZ 3.75Å |
| 185 | Y | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -49.7 | -177.9 | -53 | -81.4 | 0 | 0 | 0 | 111.6 | S183 H187 V188 K189 D291 Y292 K295 M296 | S183-Y185 PolarHBondContact O-N 2.8Å; S183-Y185 PolarHBondContact OG-N 2.78Å; Y185-H187 VanDerWaalsContact C-N 3.33Å; Y185-V188 WeakPolarHBondContact O-CG2 3.47Å; Y185-K189 WeakPolarHBondContact O-CB 3.33Å; Y185-K189 VanDerWaalsContact O-CG 3.23Å; Y185-K189 WeakPolarHBondContact O-CG 3.3Å; Y185-K189 PolarHBondContact O-N 3.2Å; Y185-K189 VanDerWaalsContact O-N 3.11Å; Y185-D291 PolarHBondContact OH-OD2 3.12Å; Y185-Y292 HydrophobicContact CD1-CD2 4.4Å; Y185-Y292 AromaticContact CE1-CD2 3.7Å; Y185-Y292 HydrophobicContact CE1-CD2 3.7Å; Y185-Y292 HydrophobicContact CE1-CE2 4.44Å; Y185-Y292 HydrophobicContact CE1-CG 4.3Å; Y185-K295 HydrophobicContact CD1-CB 3.79Å; Y185-K295 HydrophobicContact CD1-CD 4.18Å; Y185-K295 HydrophobicContact CD2-CB 4.46Å; Y185-K295 HydrophobicContact CD2-CD 3.45Å; Y185-K295 VanDerWaalsContact CD2-CD 3.45Å; Y185-K295 HydrophobicContact CE1-CB 4.13Å; Y185-K295 HydrophobicContact CE1-CD 4.18Å; Y185-K295 HydrophobicContact CE2-CD 3.42Å; Y185-K295 VanDerWaalsContact CE2-CD 3.42Å; Y185-K295 HydrophobicContact CG-CB 3.96Å; Y185-K295 HydrophobicContact CG-CD 3.82Å; Y185-M296 HydrophobicContact CD1-CG 3.94Å; Y185-M296 HydrophobicContact CD1-SD 3.87Å; Y185-M296 HydrophobicContact CE1-CG 4.48Å |
| 186 | D | 98.7 | Very high | 98.1 | Very high | 93 Ų | 93 | 35.4 Ų | 35.4 | 50% | 0.497 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71.4 | -34.9 | -178.8 | -59.2 | -45.8 | 0 | 0 | 0 | 110.8 | S183 G190 | S183-D186 WeakPolarHBondContact CB-OD2 3.36Å; S183-D186 PolarHBondContact O-N 3.33Å; S183-D186 PolarHBondContact OG-N 3.37Å; S183-D186 PolarHBondContact OG-OD2 2.7Å; D186-G190 WeakPolarHBondContact O-CA 3.47Å; D186-G190 PolarHBondContact O-N 3.2Å |
| 187 | H | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -57.3 | 176 | -161.7 | -68.4 | 0 | 0 | 0 | 111.5 | Y54 H120 L121 Y139 S183 W184 Y185 K189 G190 W191 | Y54-H187 HydrophobicContact CD2-CB 3.92Å; Y54-H187 AromaticContact CD2-CD2 3.84Å; Y54-H187 AromaticContact CD2-CG 3.79Å; Y54-H187 PolarHBondContact N-CE1 3.17Å; H120-H187 PolarHBondContact O-NE2 3.17Å; L121-H187 PolarHBondContact O-NE2 3.41Å; Y139-H187 AromaticContact CE2-CE1 3.72Å; Y139-H187 AromaticContact CE2-ND1 3.81Å; Y139-H187 AromaticContact CZ-ND1 3.77Å; Y139-H187 PolarHBondContact OH-ND1 2.74Å; S183-H187 VanDerWaalsContact O-CB 3.3Å; S183-H187 WeakPolarHBondContact O-CB 3.29Å; S183-H187 PolarHBondContact O-N 2.87Å; W184-H187 PolarHBondContact O-N 3.03Å; Y185-H187 VanDerWaalsContact C-N 3.33Å; H187-K189 PolarHBondContact O-N 3.25Å; H187-G190 PolarHBondContact O-N 3.11Å; H187-W191 AromaticContact CE1-CD1 3.49Å; H187-W191 VanDerWaalsContact CE1-CD1 3.49Å; H187-W191 AromaticContact CE1-NE1 3.34Å; H187-W191 PolarHBondContact CE1-NE1 3.3Å; H187-W191 VanDerWaalsContact CE1-NE1 3.34Å; H187-W191 AromaticContact ND1-CD1 3.42Å; H187-W191 AromaticContact ND1-NE1 3.77Å; H187-W191 AromaticContact NE2-NE1 3.93Å; H187-W191 VanDerWaalsContact O-CD1 3.23Å; H187-W191 PolarHBondContact O-N 2.81Å |
| 188 | V | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -39 | -178.9 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | A141 W184 Y185 W192 Y202 M296 L301 F303 | A141-V188 HydrophobicContact CB-CG1 4.48Å; W184-V188 HydrophobicContact CD2-CG1 4.24Å; W184-V188 HydrophobicContact CD2-CG2 4.37Å; W184-V188 HydrophobicContact CE3-CG2 4.22Å; W184-V188 HydrophobicContact CH2-CG2 3.87Å; W184-V188 HydrophobicContact CZ2-CG1 3.89Å; W184-V188 HydrophobicContact CZ2-CG2 4.05Å; W184-V188 HydrophobicContact CZ3-CG2 3.96Å; W184-V188 WeakPolarHBondContact O-CG2 3.42Å; W184-V188 PolarHBondContact O-N 2.96Å; Y185-V188 WeakPolarHBondContact O-CG2 3.47Å; V188-W192 VanDerWaalsContact O-CB 3.27Å; V188-W192 WeakPolarHBondContact O-CB 3.46Å; V188-W192 PolarHBondContact O-N 3.03Å; V188-Y202 PolarHBondContact O-OH 3.26Å; V188-M296 HydrophobicContact CG2-CE 4.02Å; V188-L301 HydrophobicContact CB-CD1 4.25Å; V188-L301 HydrophobicContact CG2-CD1 4.04Å; V188-F303 HydrophobicContact CB-CZ 4.11Å; V188-F303 HydrophobicContact CG1-CZ 4.13Å; V188-F303 HydrophobicContact CG2-CE2 4.21Å; V188-F303 HydrophobicContact CG2-CZ 4.21Å |
| 189 | K | 98.8 | Very high | 98 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 178 | -72.4 | -170.8 | -54.5 | 178.6 | 0 | 112.4 | Y185 H187 W192 K193 K295 M296 D298 T299 L301 | Y185-K189 WeakPolarHBondContact O-CB 3.33Å; Y185-K189 VanDerWaalsContact O-CG 3.23Å; Y185-K189 WeakPolarHBondContact O-CG 3.3Å; Y185-K189 PolarHBondContact O-N 3.2Å; Y185-K189 VanDerWaalsContact O-N 3.11Å; H187-K189 PolarHBondContact O-N 3.25Å; K189-W192 PolarHBondContact O-N 3.29Å; K189-K193 WeakPolarHBondContact O-CG 3.49Å; K189-K193 PolarHBondContact O-N 3.2Å; K189-K295 PolarHBondContact NZ-O 2.59Å; K189-M296 HydrophobicContact CD-SD 3.97Å; K189-M296 HydrophobicContact CG-CE 4.2Å; K189-M296 HydrophobicContact CG-SD 4.06Å; K189-D298 WeakPolarHBondContact CD-OD1 3.4Å; K189-D298 IonicContact NZ-OD1 2.83Å; K189-D298 PolarHBondContact NZ-OD1 3.33Å; K189-D298 IonicContact NZ-OD2 3.39Å; K189-T299 HydrophobicContact CD-CG2 3.74Å; K189-T299 HydrophobicContact CG-CG2 3.89Å; K189-L301 HydrophobicContact CG-CD1 4.18Å |
| 190 | G | 98.5 | Very high | 98.1 | Very high | 17 Ų | 17 | 41 Ų | 41 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -50.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D186 H187 W192 K193 A194 | D186-G190 WeakPolarHBondContact O-CA 3.47Å; D186-G190 PolarHBondContact O-N 3.2Å; H187-G190 PolarHBondContact O-N 3.11Å; G190-W192 VanDerWaalsContact C-N 3.32Å; G190-W192 PolarHBondContact O-N 3.49Å; G190-K193 PolarHBondContact O-N 3.21Å; G190-A194 WeakPolarHBondContact O-CB 3.47Å; G190-A194 PolarHBondContact O-N 3.03Å |
| 191 | W | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.8 | -36.7 | 175.8 | -79 | 102.1 | 0 | 0 | 0 | 112.8 | L50 A52 L121 V123 V126 W131 I137 Y139 H187 A194 K195 I200 Y202 | L50-W191 HydrophobicContact CD2-CH2 4.46Å; A52-W191 HydrophobicContact CB-CH2 3.47Å; A52-W191 VanDerWaalsContact CB-CH2 3.47Å; A52-W191 HydrophobicContact CB-CZ2 3.38Å; A52-W191 HydrophobicContact CB-CZ3 4.1Å; L121-W191 PolarHBondContact O-NE1 2.76Å; V123-W191 HydrophobicContact CB-CD2 4.16Å; V123-W191 HydrophobicContact CB-CG 4.3Å; V123-W191 HydrophobicContact CG2-CD2 4.37Å; V123-W191 HydrophobicContact CG2-CE3 4.39Å; V126-W191 HydrophobicContact CG2-CH2 3.67Å; V126-W191 HydrophobicContact CG2-CZ2 3.43Å; V126-W191 VanDerWaalsContact CG2-CZ2 3.43Å; W131-W191 HydrophobicContact CH2-CH2 4.09Å; W131-W191 AromaticContact CH2-CZ3 3.88Å; W131-W191 HydrophobicContact CH2-CZ3 3.88Å; I137-W191 HydrophobicContact CD1-CH2 4.2Å; I137-W191 HydrophobicContact CD1-CZ3 3.93Å; I137-W191 HydrophobicContact CG2-CH2 4.01Å; I137-W191 HydrophobicContact CG2-CZ3 3.68Å; Y139-W191 HydrophobicContact CD1-CB 4.06Å; Y139-W191 HydrophobicContact CD2-CB 3.72Å; Y139-W191 AromaticContact CD2-CD1 3.79Å; Y139-W191 AromaticContact CD2-CD2 3.41Å; Y139-W191 HydrophobicContact CD2-CD2 3.41Å; Y139-W191 VanDerWaalsContact CD2-CD2 3.41Å; Y139-W191 AromaticContact CD2-CE2 3.88Å; Y139-W191 AromaticContact CD2-CE3 3.87Å; Y139-W191 HydrophobicContact CD2-CE3 3.87Å; Y139-W191 AromaticContact CD2-CG 3.36Å; Y139-W191 HydrophobicContact CD2-CG 3.36Å; Y139-W191 HydrophobicContact CE1-CB 3.92Å; Y139-W191 HydrophobicContact CE1-CG 4.4Å; Y139-W191 HydrophobicContact CE2-CB 3.62Å; Y139-W191 AromaticContact CE2-CD1 3.17Å; Y139-W191 AromaticContact CE2-CD2 3.67Å; Y139-W191 HydrophobicContact CE2-CD2 3.67Å; Y139-W191 AromaticContact CE2-CE2 3.91Å; Y139-W191 AromaticContact CE2-CG 3.18Å; Y139-W191 HydrophobicContact CE2-CG 3.18Å; Y139-W191 AromaticContact CE2-NE1 3.59Å; Y139-W191 HydrophobicContact CG-CB 3.94Å; Y139-W191 HydrophobicContact CG-CD2 4.23Å; Y139-W191 HydrophobicContact CG-CE3 4.39Å; Y139-W191 HydrophobicContact CG-CG 4.08Å; Y139-W191 AromaticContact CZ-CD1 3.73Å; Y139-W191 AromaticContact CZ-CG 3.74Å; H187-W191 AromaticContact CE1-CD1 3.49Å; H187-W191 VanDerWaalsContact CE1-CD1 3.49Å; H187-W191 AromaticContact CE1-NE1 3.34Å; H187-W191 PolarHBondContact CE1-NE1 3.3Å; H187-W191 VanDerWaalsContact CE1-NE1 3.34Å; H187-W191 AromaticContact ND1-CD1 3.42Å; H187-W191 AromaticContact ND1-NE1 3.77Å; H187-W191 AromaticContact NE2-NE1 3.93Å; H187-W191 VanDerWaalsContact O-CD1 3.23Å; H187-W191 PolarHBondContact O-N 2.81Å; W191-A194 PolarHBondContact O-N 3.36Å; W191-K195 PolarHBondContact O-N 2.86Å; W191-K195 VanDerWaalsContact O-N 3.12Å; W191-I200 HydrophobicContact CE3-CD1 3.98Å; W191-I200 HydrophobicContact CZ3-CD1 4.05Å; W191-I200 HydrophobicContact CZ3-CG1 4.5Å; W191-Y202 HydrophobicContact CB-CE2 4.13Å |
| 192 | W | 98.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 20% | 0.197 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -38.2 | 175.9 | -178.6 | -104.8 | 0 | 0 | 0 | 113.7 | V188 K189 G190 K195 Y202 F204 S300 L301 | V188-W192 VanDerWaalsContact O-CB 3.27Å; V188-W192 WeakPolarHBondContact O-CB 3.46Å; V188-W192 PolarHBondContact O-N 3.03Å; K189-W192 PolarHBondContact O-N 3.29Å; G190-W192 VanDerWaalsContact C-N 3.32Å; G190-W192 PolarHBondContact O-N 3.49Å; W192-K195 HydrophobicContact CD2-CD 3.78Å; W192-K195 HydrophobicContact CE3-CD 3.43Å; W192-K195 VanDerWaalsContact CE3-CD 3.43Å; W192-K195 VanDerWaalsContact CE3-CE 3.47Å; W192-K195 HydrophobicContact CG-CD 4.42Å; W192-K195 HydrophobicContact CH2-CD 4.32Å; W192-K195 HydrophobicContact CZ3-CD 3.74Å; W192-K195 WeakPolarHBondContact O-CD 3.47Å; W192-K195 VanDerWaalsContact O-CG 3.24Å; W192-K195 WeakPolarHBondContact O-CG 3.35Å; W192-K195 PolarHBondContact O-NZ 3.41Å; W192-Y202 HydrophobicContact CB-CD2 4.49Å; W192-Y202 HydrophobicContact CB-CE2 3.88Å; W192-Y202 AromaticContact CE3-CD1 3.71Å; W192-Y202 HydrophobicContact CE3-CD1 3.71Å; W192-Y202 AromaticContact CE3-CD2 3.77Å; W192-Y202 HydrophobicContact CE3-CD2 3.77Å; W192-Y202 AromaticContact CE3-CE1 3.8Å; W192-Y202 HydrophobicContact CE3-CE1 3.8Å; W192-Y202 AromaticContact CE3-CE2 3.85Å; W192-Y202 HydrophobicContact CE3-CE2 3.85Å; W192-Y202 AromaticContact CE3-CG 3.69Å; W192-Y202 HydrophobicContact CE3-CG 3.69Å; W192-Y202 AromaticContact CE3-CZ 3.86Å; W192-Y202 AromaticContact CZ3-CD1 3.75Å; W192-Y202 HydrophobicContact CZ3-CD1 3.75Å; W192-Y202 HydrophobicContact CZ3-CD2 4.5Å; W192-Y202 HydrophobicContact CZ3-CE1 4.11Å; W192-Y202 AromaticContact CZ3-CG 3.97Å; W192-Y202 HydrophobicContact CZ3-CG 3.97Å; W192-F204 HydrophobicContact CZ3-CE2 4.32Å; W192-F204 HydrophobicContact CZ3-CZ 4.04Å; W192-S300 PolarHBondContact NE1-OG 3.15Å; W192-S300 VanDerWaalsContact NE1-OG 3.1Å; W192-L301 HydrophobicContact CB-CD1 3.63Å; W192-L301 HydrophobicContact CB-CD2 3.98Å; W192-L301 HydrophobicContact CB-CG 3.84Å; W192-L301 HydrophobicContact CD2-CD1 4.43Å; W192-L301 HydrophobicContact CD2-CD2 3.25Å; W192-L301 HydrophobicContact CD2-CG 3.64Å; W192-L301 HydrophobicContact CE3-CD2 3.29Å; W192-L301 HydrophobicContact CE3-CG 4.2Å; W192-L301 HydrophobicContact CG-CD1 3.85Å; W192-L301 HydrophobicContact CG-CD2 3.59Å; W192-L301 HydrophobicContact CG-CG 3.46Å; W192-L301 VanDerWaalsContact CG-CG 3.46Å; W192-L301 HydrophobicContact CH2-CD2 4.31Å; W192-L301 HydrophobicContact CZ2-CD2 4.3Å; W192-L301 HydrophobicContact CZ3-CD2 3.84Å |
| 193 | K | 97.9 | Very high | 98.2 | Very high | 114 Ų | 114 | 43 Ų | 43 | 50% | 0.496 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.2 | -35.8 | 174.4 | -71.6 | 173.5 | -176.4 | 179.1 | 0 | 111.2 | K189 G190 D298 | K189-K193 WeakPolarHBondContact O-CG 3.49Å; K189-K193 PolarHBondContact O-N 3.2Å; G190-K193 PolarHBondContact O-N 3.21Å; K193-D298 IonicContact NZ-OD2 2.68Å |
| 194 | A | 98.1 | Very high | 98.2 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.9 | -26 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V123 G190 W191 D196 K197 N198 I200 | V123-A194 HydrophobicContact CG2-CB 3.71Å; G190-A194 WeakPolarHBondContact O-CB 3.47Å; G190-A194 PolarHBondContact O-N 3.03Å; W191-A194 PolarHBondContact O-N 3.36Å; A194-D196 PolarHBondContact O-N 3.09Å; A194-D196 VanDerWaalsContact O-N 3.16Å; A194-K197 PolarHBondContact O-N 3.06Å; A194-K197 VanDerWaalsContact O-N 3.08Å; A194-N198 PolarHBondContact O-N 3.01Å; A194-N198 PolarHBondContact O-ND2 3.21Å; A194-I200 HydrophobicContact CB-CD1 3.84Å |
| 195 | K | 96.8 | Very high | 98.2 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.7 | -175.8 | 88.5 | -164.3 | -179.6 | -49.1 | 0 | 114.2 | W191 W192 K197 N198 I200 Y202 | W191-K195 PolarHBondContact O-N 2.86Å; W191-K195 VanDerWaalsContact O-N 3.12Å; W192-K195 HydrophobicContact CD2-CD 3.78Å; W192-K195 HydrophobicContact CE3-CD 3.43Å; W192-K195 VanDerWaalsContact CE3-CD 3.43Å; W192-K195 VanDerWaalsContact CE3-CE 3.47Å; W192-K195 HydrophobicContact CG-CD 4.42Å; W192-K195 HydrophobicContact CH2-CD 4.32Å; W192-K195 HydrophobicContact CZ3-CD 3.74Å; W192-K195 WeakPolarHBondContact O-CD 3.47Å; W192-K195 VanDerWaalsContact O-CG 3.24Å; W192-K195 WeakPolarHBondContact O-CG 3.35Å; W192-K195 PolarHBondContact O-NZ 3.41Å; K195-K197 VanDerWaalsContact C-N 3.29Å; K195-K197 PolarHBondContact O-N 3.45Å; K195-N198 VanDerWaalsContact O-O 3.06Å; K195-I200 HydrophobicContact CB-CB 3.98Å; K195-I200 HydrophobicContact CB-CD1 4.49Å; K195-I200 HydrophobicContact CB-CG2 4.1Å; K195-Y202 HydrophobicContact CD-CD2 4.36Å; K195-Y202 HydrophobicContact CD-CG 4.39Å |
| 196 | D | 94.3 | Very high | 98.2 | Very high | 123 Ų | 123 | 43.8 Ų | 43.8 | 66% | 0.658 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -12.9 | -177.1 | -57.7 | -37.7 | 0 | 0 | 0 | 112.2 | A194 | A194-D196 PolarHBondContact O-N 3.09Å; A194-D196 VanDerWaalsContact O-N 3.16Å |
| 197 | K | 96.1 | Very high | 98.2 | Very high | 186 Ų | 186 | 41.2 Ų | 41.2 | 81% | 0.809 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | -12 | -177.4 | -62.1 | -177 | -178.8 | -179.3 | 0 | 113.7 | A194 K195 | A194-K197 PolarHBondContact O-N 3.06Å; A194-K197 VanDerWaalsContact O-N 3.08Å; K195-K197 VanDerWaalsContact C-N 3.29Å; K195-K197 PolarHBondContact O-N 3.45Å |
| 198 | N | 97.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | 165.8 | -172.7 | -59.4 | -79.3 | 0 | 0 | 0 | 110.4 | W131 A194 K195 I200 | W131-N198 HydrophobicContact CE3-CB 4.33Å; W131-N198 HydrophobicContact CZ3-CB 4.05Å; A194-N198 PolarHBondContact O-N 3.01Å; A194-N198 PolarHBondContact O-ND2 3.21Å; K195-N198 VanDerWaalsContact O-O 3.06Å; N198-I200 HydrophobicContact CB-CD1 3.87Å; N198-I200 HydrophobicContact CB-CG1 4.01Å; N198-I200 PolarHBondContact O-N 3.3Å |
| 199 | R | 98.2 | Very high | 98.2 | Very high | 94 Ų | 94 | 44.4 Ų | 44.4 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 71.9 | 176.1 | -64 | 175.2 | 73.9 | -171.4 | 11.7 | 110.9 | N134 I137 F222 E224 | N134-R199 PolarHBondContact O-NH1 3.39Å; N134-R199 VanDerWaalsContact OD1-CD 3.22Å; N134-R199 WeakPolarHBondContact OD1-CD 3.39Å; N134-R199 WeakPolarHBondContact OD1-CG 3.3Å; I137-R199 PolarHBondContact N-O 3.14Å; R199-F222 WeakPolarHBondContact O-CZ 3.22Å; R199-E224 IonicContact NH2-OE1 3.58Å |
| 200 | I | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 49 Ų | 49 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123 | 179.9 | -59.7 | 164.2 | 0 | 0 | 0 | 110 | W131 I137 W191 A194 K195 N198 | W131-I200 HydrophobicContact CZ3-CD1 4.31Å; I137-I200 HydrophobicContact CB-CG1 3.97Å; I137-I200 HydrophobicContact CD1-CG1 4.23Å; I137-I200 HydrophobicContact CG1-CG1 4.45Å; I137-I200 CarbonylContact O-C 3.48Å; I137-I200 VanDerWaalsContact O-CA 3.29Å; I137-I200 WeakPolarHBondContact O-CA 3.46Å; W191-I200 HydrophobicContact CE3-CD1 3.98Å; W191-I200 HydrophobicContact CZ3-CD1 4.05Å; W191-I200 HydrophobicContact CZ3-CG1 4.5Å; A194-I200 HydrophobicContact CB-CD1 3.84Å; K195-I200 HydrophobicContact CB-CB 3.98Å; K195-I200 HydrophobicContact CB-CD1 4.49Å; K195-I200 HydrophobicContact CB-CG2 4.1Å; N198-I200 HydrophobicContact CB-CD1 3.87Å; N198-I200 HydrophobicContact CB-CG1 4.01Å; N198-I200 PolarHBondContact O-N 3.3Å |
| 201 | L | 98.9 | Very high | 98.2 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.4 | 162 | 177.8 | 65.6 | 0 | 0 | 0 | 108.7 | I137 I138 Y139 L203 I219 F222 | I137-L201 PolarHBondContact O-N 2.84Å; I138-L201 HydrophobicContact CG1-CB 4.36Å; I138-L201 HydrophobicContact CG1-CD2 4.41Å; Y139-L201 PolarHBondContact N-O 3.23Å; L201-L203 HydrophobicContact CD1-CD2 4.06Å; L201-L203 HydrophobicContact CD2-CD1 4.08Å; L201-L203 HydrophobicContact CD2-CD2 4.01Å; L201-L203 HydrophobicContact CD2-CG 4.16Å; L201-L203 HydrophobicContact CG-CD1 4.39Å; L201-L203 HydrophobicContact CG-CD2 3.85Å; L201-L203 HydrophobicContact CG-CG 3.96Å; L201-I219 HydrophobicContact CD2-CB 4.41Å; L201-I219 HydrophobicContact CD2-CG1 3.9Å; L201-F222 HydrophobicContact CB-CB 4.34Å; L201-F222 HydrophobicContact CB-CD1 3.73Å; L201-F222 HydrophobicContact CB-CD2 3.8Å; L201-F222 HydrophobicContact CB-CE1 3.88Å; L201-F222 HydrophobicContact CB-CE2 3.94Å; L201-F222 HydrophobicContact CB-CG 3.69Å; L201-F222 HydrophobicContact CB-CZ 3.98Å; L201-F222 HydrophobicContact CD2-CB 3.77Å; L201-F222 HydrophobicContact CD2-CD1 4.09Å; L201-F222 HydrophobicContact CD2-CG 3.98Å; L201-F222 HydrophobicContact CG-CB 4.47Å; L201-F222 HydrophobicContact CG-CG 4.33Å |
| 202 | Y | 98.9 | Very high | 98.1 | Very high | 24 Ų | 24 | 54 Ų | 54 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.7 | 177.8 | -161.5 | -69.7 | 0 | 0 | 0 | 110.2 | Y139 A141 V188 W191 W192 K195 F204 L301 | Y139-Y202 HydrophobicContact CD1-CD1 4.35Å; Y139-Y202 AromaticContact CD1-CD2 3.47Å; Y139-Y202 HydrophobicContact CD1-CD2 3.47Å; Y139-Y202 VanDerWaalsContact CD1-CD2 3.47Å; Y139-Y202 HydrophobicContact CD1-CE1 4.11Å; Y139-Y202 AromaticContact CD1-CE2 3.17Å; Y139-Y202 HydrophobicContact CD1-CE2 3.17Å; Y139-Y202 HydrophobicContact CD1-CG 4.07Å; Y139-Y202 AromaticContact CD1-CZ 3.53Å; Y139-Y202 HydrophobicContact CE1-CD2 4.19Å; Y139-Y202 HydrophobicContact CE1-CE1 4.32Å; Y139-Y202 AromaticContact CE1-CE2 3.4Å; Y139-Y202 HydrophobicContact CE1-CE2 3.4Å; Y139-Y202 VanDerWaalsContact CE1-CE2 3.4Å; Y139-Y202 AromaticContact CE1-CZ 3.49Å; Y139-Y202 VanDerWaalsContact CE1-CZ 3.49Å; Y139-Y202 WeakPolarHBondContact CE1-OH 3.39Å; Y139-Y202 HydrophobicContact CG-CD2 4.15Å; Y139-Y202 HydrophobicContact CG-CE2 4.15Å; A141-Y202 HydrophobicContact CB-CE1 3.58Å; A141-Y202 WeakPolarHBondContact CB-OH 3.34Å; V188-Y202 PolarHBondContact O-OH 3.26Å; W191-Y202 HydrophobicContact CB-CE2 4.13Å; W192-Y202 HydrophobicContact CB-CD2 4.49Å; W192-Y202 HydrophobicContact CB-CE2 3.88Å; W192-Y202 AromaticContact CE3-CD1 3.71Å; W192-Y202 HydrophobicContact CE3-CD1 3.71Å; W192-Y202 AromaticContact CE3-CD2 3.77Å; W192-Y202 HydrophobicContact CE3-CD2 3.77Å; W192-Y202 AromaticContact CE3-CE1 3.8Å; W192-Y202 HydrophobicContact CE3-CE1 3.8Å; W192-Y202 AromaticContact CE3-CE2 3.85Å; W192-Y202 HydrophobicContact CE3-CE2 3.85Å; W192-Y202 AromaticContact CE3-CG 3.69Å; W192-Y202 HydrophobicContact CE3-CG 3.69Å; W192-Y202 AromaticContact CE3-CZ 3.86Å; W192-Y202 AromaticContact CZ3-CD1 3.75Å; W192-Y202 HydrophobicContact CZ3-CD1 3.75Å; W192-Y202 HydrophobicContact CZ3-CD2 4.5Å; W192-Y202 HydrophobicContact CZ3-CE1 4.11Å; W192-Y202 AromaticContact CZ3-CG 3.97Å; W192-Y202 HydrophobicContact CZ3-CG 3.97Å; K195-Y202 HydrophobicContact CD-CD2 4.36Å; K195-Y202 HydrophobicContact CD-CG 4.39Å; Y202-F204 AromaticContact CD1-CE2 3.95Å; Y202-F204 HydrophobicContact CD1-CE2 3.95Å; Y202-F204 AromaticContact CD1-CZ 3.93Å; Y202-F204 HydrophobicContact CD1-CZ 3.93Å; Y202-F204 HydrophobicContact CE1-CD1 4.44Å; Y202-F204 AromaticContact CE1-CE1 3.82Å; Y202-F204 HydrophobicContact CE1-CE1 3.82Å; Y202-F204 HydrophobicContact CE1-CE2 4.08Å; Y202-F204 AromaticContact CE1-CZ 3.61Å; Y202-F204 HydrophobicContact CE1-CZ 3.61Å; Y202-L301 HydrophobicContact CE1-CD2 4.09Å |
| 203 | L | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 159.7 | -177 | -59.6 | 175.1 | 0 | 0 | 0 | 111.2 | I138 Y139 M140 A141 L201 K218 I219 | I138-L203 HydrophobicContact CG2-CD1 3.81Å; Y139-L203 PolarHBondContact O-N 2.82Å; M140-L203 HydrophobicContact CE-CB 3.67Å; M140-L203 HydrophobicContact CE-CD1 3.7Å; M140-L203 HydrophobicContact CE-CG 4.35Å; M140-L203 HydrophobicContact SD-CB 3.63Å; A141-L203 PolarHBondContact N-O 3.44Å; L201-L203 HydrophobicContact CD1-CD2 4.06Å; L201-L203 HydrophobicContact CD2-CD1 4.08Å; L201-L203 HydrophobicContact CD2-CD2 4.01Å; L201-L203 HydrophobicContact CD2-CG 4.16Å; L201-L203 HydrophobicContact CG-CD1 4.39Å; L201-L203 HydrophobicContact CG-CD2 3.85Å; L201-L203 HydrophobicContact CG-CG 3.96Å; L203-K218 HydrophobicContact CD2-CD 4.48Å; L203-I219 HydrophobicContact CD1-CD1 3.74Å; L203-I219 HydrophobicContact CD1-CG1 3.66Å |
| 204 | F | 98.9 | Very high | 98.1 | Very high | 27 Ų | 27 | 55.5 Ų | 55.5 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134 | 174 | -61.3 | -93.2 | 0 | 0 | 0 | 110 | M140 A141 W192 Y202 E206 D207 M208 L301 F303 | M140-F204 VanDerWaalsContact SD-C 3.52Å; A141-F204 HydrophobicContact CB-CD1 4.31Å; A141-F204 CarbonylContact O-C 3.51Å; A141-F204 WeakPolarHBondContact O-CA 3.44Å; W192-F204 HydrophobicContact CZ3-CE2 4.32Å; W192-F204 HydrophobicContact CZ3-CZ 4.04Å; Y202-F204 AromaticContact CD1-CE2 3.95Å; Y202-F204 HydrophobicContact CD1-CE2 3.95Å; Y202-F204 AromaticContact CD1-CZ 3.93Å; Y202-F204 HydrophobicContact CD1-CZ 3.93Å; Y202-F204 HydrophobicContact CE1-CD1 4.44Å; Y202-F204 AromaticContact CE1-CE1 3.82Å; Y202-F204 HydrophobicContact CE1-CE1 3.82Å; Y202-F204 HydrophobicContact CE1-CE2 4.08Å; Y202-F204 AromaticContact CE1-CZ 3.61Å; Y202-F204 HydrophobicContact CE1-CZ 3.61Å; F204-E206 PolarHBondContact O-N 2.93Å; F204-D207 HydrophobicContact CB-CB 4.24Å; F204-D207 PolarHBondContact O-N 2.86Å; F204-M208 PolarHBondContact O-N 3.17Å; F204-L301 HydrophobicContact CE1-CD2 4.18Å; F204-L301 HydrophobicContact CZ-CD2 3.99Å; F204-F303 AromaticContact CD1-CD1 3.9Å; F204-F303 HydrophobicContact CD1-CD1 3.9Å; F204-F303 AromaticContact CD1-CE1 3.76Å; F204-F303 HydrophobicContact CD1-CE1 3.76Å; F204-F303 HydrophobicContact CD1-CZ 4.46Å; F204-F303 HydrophobicContact CE1-CD1 4.09Å; F204-F303 AromaticContact CE1-CE1 3.79Å; F204-F303 HydrophobicContact CE1-CE1 3.79Å; F204-F303 HydrophobicContact CE1-CZ 4.05Å |
| 205 | Y | 98.9 | Very high | 98.2 | Very high | 15 Ų | 15 | 55.2 Ų | 55.2 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.9 | -36 | 176.4 | -179.3 | -91.7 | 0 | 0 | 0 | 111.1 | W61 M140 A141 R142 M208 K209 G271 V273 | W61-Y205 AromaticContact CE3-CD2 3.9Å; W61-Y205 HydrophobicContact CE3-CD2 3.9Å; W61-Y205 AromaticContact CE3-CE2 3.51Å; W61-Y205 HydrophobicContact CE3-CE2 3.51Å; W61-Y205 AromaticContact CZ3-CD2 4Å; W61-Y205 HydrophobicContact CZ3-CD2 4Å; W61-Y205 AromaticContact CZ3-CE2 3.66Å; W61-Y205 HydrophobicContact CZ3-CE2 3.66Å; M140-Y205 PolarHBondContact SD-N 3.31Å; M140-Y205 VanDerWaalsContact SD-N 3.45Å; A141-Y205 WeakPolarHBondContact O-CB 3.47Å; A141-Y205 PolarHBondContact O-N 2.77Å; R142-Y205 HydrophobicContact CB-CG 4.34Å; R142-Y205 HydrophobicContact CG-CD1 3.98Å; R142-Y205 HydrophobicContact CG-CG 3.95Å; Y205-M208 WeakPolarHBondContact O-CB 3.25Å; Y205-M208 PolarHBondContact O-N 3.33Å; Y205-K209 HydrophobicContact CD1-CG 3.95Å; Y205-K209 HydrophobicContact CE1-CD 4.11Å; Y205-K209 HydrophobicContact CE1-CG 3.5Å; Y205-K209 VanDerWaalsContact CE1-CG 3.5Å; Y205-K209 WeakPolarHBondContact O-CB 3.37Å; Y205-K209 WeakPolarHBondContact O-CG 3.25Å; Y205-K209 PolarHBondContact O-N 2.78Å; Y205-G271 WeakPolarHBondContact OH-CA 3.31Å; Y205-G271 PolarHBondContact OH-O 2.7Å; Y205-V273 HydrophobicContact CD1-CG2 4.05Å; Y205-V273 HydrophobicContact CE1-CG2 4.04Å |
| 206 | E | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 178.5 | -63.5 | 76.3 | -159 | 0 | 0 | 111.8 | R142 N143 F204 M208 K209 E210 V273 R304 L307 | R142-E206 WeakPolarHBondContact CG-OE1 3.32Å; N143-E206 WeakPolarHBondContact CB-OE1 3.5Å; N143-E206 PolarHBondContact N-OE1 3.1Å; N143-E206 PolarHBondContact ND2-OE1 2.98Å; F204-E206 PolarHBondContact O-N 2.93Å; E206-M208 VanDerWaalsContact C-N 3.33Å; E206-M208 PolarHBondContact O-N 2.94Å; E206-K209 PolarHBondContact O-N 3.13Å; E206-K209 VanDerWaalsContact O-N 3.14Å; E206-E210 PolarHBondContact O-N 3.43Å; E206-V273 HydrophobicContact CB-CG2 4.39Å; E206-V273 HydrophobicContact CG-CG1 3.76Å; E206-V273 HydrophobicContact CG-CG2 3.98Å; E206-R304 HydrophobicContact CB-CB 4.27Å; E206-R304 HydrophobicContact CG-CB 4.22Å; E206-R304 WeakPolarHBondContact CG-O 3.45Å; E206-L307 HydrophobicContact CB-CD2 4.18Å |
| 207 | D | 98.9 | Very high | 98.4 | Very high | 39 Ų | 39 | 51.6 Ų | 51.6 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.5 | -60.4 | -0.6 | 0 | 0 | 0 | 110.8 | F204 K209 E210 N211 E215 R304 | F204-D207 HydrophobicContact CB-CB 4.24Å; F204-D207 PolarHBondContact O-N 2.86Å; D207-K209 VanDerWaalsContact C-N 3.25Å; D207-K209 PolarHBondContact O-N 3.35Å; D207-E210 PolarHBondContact O-N 2.95Å; D207-N211 PolarHBondContact O-N 3.33Å; D207-E215 HydrophobicContact CB-CG 3.89Å; D207-R304 IonicContact OD1-CZ 2.97Å; D207-R304 IonicContact OD1-NE 3.91Å; D207-R304 IonicContact OD1-NH2 3.89Å; D207-R304 PolarHBondContact OD1-NH2 3.36Å |
| 208 | M | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -35.9 | 174.4 | -87.4 | -69.4 | -41.1 | 0 | 0 | 112.2 | W61 I65 M140 F204 Y205 E206 P212 E215 I216 | W61-M208 HydrophobicContact CD2-CE 4.11Å; W61-M208 HydrophobicContact CE3-CB 4.36Å; W61-M208 HydrophobicContact CE3-CE 4.35Å; W61-M208 HydrophobicContact CH2-CB 3.76Å; W61-M208 HydrophobicContact CH2-CE 3.78Å; W61-M208 WeakPolarHBondContact CH2-O 3.49Å; W61-M208 HydrophobicContact CZ2-CE 3.5Å; W61-M208 HydrophobicContact CZ3-CB 3.63Å; W61-M208 HydrophobicContact CZ3-CE 4.2Å; I65-M208 HydrophobicContact CD1-CE 3.32Å; I65-M208 HydrophobicContact CD1-SD 4.25Å; M140-M208 HydrophobicContact CE-CG 3.62Å; M140-M208 HydrophobicContact CE-SD 4.42Å; M140-M208 HydrophobicContact SD-CG 4.22Å; F204-M208 PolarHBondContact O-N 3.17Å; Y205-M208 WeakPolarHBondContact O-CB 3.25Å; Y205-M208 PolarHBondContact O-N 3.33Å; E206-M208 VanDerWaalsContact C-N 3.33Å; E206-M208 PolarHBondContact O-N 2.94Å; M208-P212 HydrophobicContact CE-CB 4.39Å; M208-P212 VanDerWaalsContact O-CA 3.27Å; M208-P212 WeakPolarHBondContact O-CA 3.15Å; M208-P212 VanDerWaalsContact O-CB 3.3Å; M208-P212 WeakPolarHBondContact O-CB 3.39Å; M208-P212 WeakPolarHBondContact O-CD 3.27Å; M208-E215 HydrophobicContact CG-CB 3.95Å; M208-E215 HydrophobicContact CG-CG 4.2Å; M208-E215 HydrophobicContact SD-CB 3.31Å; M208-E215 WeakPolarHBondContact SD-CB 3.32Å; M208-E215 HydrophobicContact SD-CG 4.18Å; M208-I216 HydrophobicContact CE-CG1 4.4Å |
| 209 | K | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 30% | 0.3 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -76.5 | -36.2 | 177.8 | -77.8 | -62.4 | -51 | -173.7 | 0 | 112.7 | W61 Y205 E206 D207 G271 V273 L307 | W61-K209 HydrophobicContact CH2-CD 3.53Å; W61-K209 HydrophobicContact CH2-CG 3.99Å; W61-K209 HydrophobicContact CZ3-CD 3.65Å; W61-K209 HydrophobicContact CZ3-CG 3.85Å; Y205-K209 HydrophobicContact CD1-CG 3.95Å; Y205-K209 HydrophobicContact CE1-CD 4.11Å; Y205-K209 HydrophobicContact CE1-CG 3.5Å; Y205-K209 VanDerWaalsContact CE1-CG 3.5Å; Y205-K209 WeakPolarHBondContact O-CB 3.37Å; Y205-K209 WeakPolarHBondContact O-CG 3.25Å; Y205-K209 PolarHBondContact O-N 2.78Å; E206-K209 PolarHBondContact O-N 3.13Å; E206-K209 VanDerWaalsContact O-N 3.14Å; D207-K209 VanDerWaalsContact C-N 3.25Å; D207-K209 PolarHBondContact O-N 3.35Å; K209-G271 VanDerWaalsContact CE-O 3.3Å; K209-G271 WeakPolarHBondContact CE-O 3.47Å; K209-G271 PolarHBondContact NZ-O 2.96Å; K209-V273 HydrophobicContact CB-CG2 3.91Å; K209-V273 HydrophobicContact CG-CG2 3.87Å; K209-L307 HydrophobicContact CB-CD1 3.5Å |
| 210 | E | 98.6 | Very high | 98.5 | Very high | 115 Ų | 115 | 40 Ų | 40 | 54% | 0.537 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -74.4 | -47.6 | 179.3 | -178.9 | -179.8 | -130.7 | 0 | 0 | 112.3 | E206 D207 R304 L307 | E206-E210 PolarHBondContact O-N 3.43Å; D207-E210 PolarHBondContact O-N 2.95Å; E210-R304 IonicContact OE1-NH1 2.69Å; E210-R304 PolarHBondContact OE1-NH1 2.74Å; E210-R304 IonicContact OE2-CZ 2.78Å; E210-R304 IonicContact OE2-NH1 3.69Å; E210-R304 PolarHBondContact OE2-NH1 2.87Å; E210-R304 IonicContact OE2-NH2 3.52Å; E210-R304 PolarHBondContact OE2-NH2 3.16Å; E210-L307 HydrophobicContact CB-CD1 4.18Å; E210-L307 HydrophobicContact CB-CD2 4.04Å |
| 211 | N | 98.5 | Very high | 98.5 | Very high | 78 Ų | 78 | 47.6 Ų | 47.6 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | trans | -141.1 | 74.5 | -177.8 | -167.3 | -15.9 | 0 | 0 | 0 | 111.4 | D207 K213 H214 E215 | D207-N211 PolarHBondContact O-N 3.33Å; N211-K213 PolarHBondContact O-N 2.9Å; N211-K213 VanDerWaalsContact O-N 3.14Å; N211-H214 HydrophobicContact CB-CB 4.23Å; N211-H214 PolarHBondContact O-N 3.35Å; N211-H214 PolarHBondContact OD1-N 3.31Å; N211-E215 PolarHBondContact O-N 3.45Å | ||
| 212 | P | 98.3 | Very high | 98.5 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 29% | 0.286 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.3 | -32.7 | -177.2 | 20.9 | -32.4 | 0 | 0 | 0 | 112.6 | M208 E215 I216 L236 | M208-P212 HydrophobicContact CE-CB 4.39Å; M208-P212 VanDerWaalsContact O-CA 3.27Å; M208-P212 WeakPolarHBondContact O-CA 3.15Å; M208-P212 VanDerWaalsContact O-CB 3.3Å; M208-P212 WeakPolarHBondContact O-CB 3.39Å; M208-P212 WeakPolarHBondContact O-CD 3.27Å; P212-E215 PolarHBondContact O-N 3.11Å; P212-I216 HydrophobicContact CB-CD1 4.44Å; P212-I216 VanDerWaalsContact O-CB 3.28Å; P212-I216 WeakPolarHBondContact O-CB 3.48Å; P212-I216 WeakPolarHBondContact O-CD1 3.31Å; P212-I216 WeakPolarHBondContact O-CG1 3.3Å; P212-I216 PolarHBondContact O-N 3.27Å; P212-L236 HydrophobicContact CB-CD2 3.92Å; P212-L236 HydrophobicContact CG-CD2 4.13Å |
| 213 | K | 98.2 | Very high | 98.4 | Very high | 109 Ų | 109 | 48.1 Ų | 48.1 | 47% | 0.474 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.7 | -48.7 | 179.2 | -178.9 | 176.1 | 178.3 | -179.6 | 0 | 111.7 | N211 Q217 L232 L236 | N211-K213 PolarHBondContact O-N 2.9Å; N211-K213 VanDerWaalsContact O-N 3.14Å; K213-Q217 VanDerWaalsContact O-CG 3.25Å; K213-Q217 WeakPolarHBondContact O-CG 3.46Å; K213-Q217 PolarHBondContact O-N 3.38Å; K213-Q217 PolarHBondContact O-OE1 3Å; K213-L232 HydrophobicContact CG-CD2 4.21Å; K213-L236 HydrophobicContact CB-CD1 3.98Å; K213-L236 HydrophobicContact CB-CD2 4.09Å; K213-L236 HydrophobicContact CD-CD1 4.37Å; K213-L236 HydrophobicContact CG-CD1 4.05Å |
| 214 | H | 98 | Very high | 98.3 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 179.5 | -179.1 | 60.5 | 0 | 0 | 0 | 111.6 | N211 Q217 K218 | N211-H214 HydrophobicContact CB-CB 4.23Å; N211-H214 PolarHBondContact O-N 3.35Å; N211-H214 PolarHBondContact OD1-N 3.31Å; H214-Q217 WeakPolarHBondContact O-CB 3.31Å; H214-Q217 PolarHBondContact O-N 2.92Å; H214-K218 WeakPolarHBondContact NE2-CE 3.3Å; H214-K218 PolarHBondContact O-N 3.44Å |
| 215 | E | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.5 | -38.8 | -179.3 | -61.3 | -48.4 | 118.5 | 0 | 0 | 112.5 | D207 M208 N211 P212 Q217 K218 I219 | D207-E215 HydrophobicContact CB-CG 3.89Å; M208-E215 HydrophobicContact CG-CB 3.95Å; M208-E215 HydrophobicContact CG-CG 4.2Å; M208-E215 HydrophobicContact SD-CB 3.31Å; M208-E215 WeakPolarHBondContact SD-CB 3.32Å; M208-E215 HydrophobicContact SD-CG 4.18Å; N211-E215 PolarHBondContact O-N 3.45Å; P212-E215 PolarHBondContact O-N 3.11Å; E215-Q217 VanDerWaalsContact C-N 3.31Å; E215-Q217 PolarHBondContact O-N 2.63Å; E215-K218 WeakPolarHBondContact O-CB 3.5Å; E215-K218 PolarHBondContact O-N 3.01Å; E215-K218 VanDerWaalsContact O-N 3.16Å; E215-K218 WeakPolarHBondContact OE1-CE 3.33Å; E215-K218 IonicContact OE1-NZ 2.86Å; E215-K218 PolarHBondContact OE1-NZ 3.49Å; E215-K218 WeakPolarHBondContact OE2-CD 3.38Å; E215-K218 IonicContact OE2-NZ 3.52Å; E215-K218 PolarHBondContact OE2-NZ 2.9Å; E215-I219 WeakPolarHBondContact O-CG1 3.36Å; E215-I219 PolarHBondContact O-N 3.15Å |
| 216 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 173.1 | -71.5 | 164.1 | 0 | 0 | 0 | 110.9 | I65 I69 M208 P212 K218 I219 M220 L232 I235 L236 | I65-I216 HydrophobicContact CD1-CD1 4.32Å; I65-I216 HydrophobicContact CD1-CG1 4.08Å; I65-I216 HydrophobicContact CG1-CD1 4.41Å; I65-I216 HydrophobicContact CG1-CG1 4.35Å; I65-I216 HydrophobicContact CG2-CG1 3.9Å; I65-I216 HydrophobicContact CG2-CG2 4.4Å; I69-I216 HydrophobicContact CD1-CG2 4.32Å; M208-I216 HydrophobicContact CE-CG1 4.4Å; P212-I216 HydrophobicContact CB-CD1 4.44Å; P212-I216 VanDerWaalsContact O-CB 3.28Å; P212-I216 WeakPolarHBondContact O-CB 3.48Å; P212-I216 WeakPolarHBondContact O-CD1 3.31Å; P212-I216 WeakPolarHBondContact O-CG1 3.3Å; P212-I216 PolarHBondContact O-N 3.27Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 3.48Å; I216-I219 WeakPolarHBondContact O-CB 3.09Å; I216-I219 PolarHBondContact O-N 3.1Å; I216-I219 VanDerWaalsContact O-N 3.16Å; I216-M220 HydrophobicContact CG2-CG 4.41Å; I216-M220 HydrophobicContact CG2-SD 4.13Å; I216-M220 WeakPolarHBondContact O-CG 3.35Å; I216-M220 PolarHBondContact O-N 2.91Å; I216-L232 HydrophobicContact CB-CD1 4.25Å; I216-L232 HydrophobicContact CG2-CD1 3.51Å; I216-I235 HydrophobicContact CD1-CG2 4.09Å; I216-I235 HydrophobicContact CG2-CG2 4.08Å; I216-L236 HydrophobicContact CD1-CD2 3.66Å; I216-L236 HydrophobicContact CD1-CG 4.21Å |
| 217 | Q | 97.7 | Very high | 96.5 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.7 | -35.9 | 174.8 | -73.3 | 175 | -49.7 | 0 | 0 | 112.5 | K213 H214 E215 M220 K221 L232 | K213-Q217 VanDerWaalsContact O-CG 3.25Å; K213-Q217 WeakPolarHBondContact O-CG 3.46Å; K213-Q217 PolarHBondContact O-N 3.38Å; K213-Q217 PolarHBondContact O-OE1 3Å; H214-Q217 WeakPolarHBondContact O-CB 3.31Å; H214-Q217 PolarHBondContact O-N 2.92Å; E215-Q217 VanDerWaalsContact C-N 3.31Å; E215-Q217 PolarHBondContact O-N 2.63Å; Q217-M220 PolarHBondContact O-N 3.01Å; Q217-K221 WeakPolarHBondContact O-CB 3.19Å; Q217-K221 PolarHBondContact O-N 3.38Å; Q217-L232 HydrophobicContact CG-CD1 4.49Å; Q217-L232 HydrophobicContact CG-CD2 3.87Å |
| 218 | K | 98.4 | Very high | 96 | Very high | 72 Ų | 72 | 69.9 Ų | 69.9 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 171 | -67.2 | 178 | -172.6 | 162.4 | 0 | 111.5 | L203 H214 E215 I216 K221 F222 | L203-K218 HydrophobicContact CD2-CD 4.48Å; H214-K218 WeakPolarHBondContact NE2-CE 3.3Å; H214-K218 PolarHBondContact O-N 3.44Å; E215-K218 WeakPolarHBondContact O-CB 3.5Å; E215-K218 PolarHBondContact O-N 3.01Å; E215-K218 VanDerWaalsContact O-N 3.16Å; E215-K218 WeakPolarHBondContact OE1-CE 3.33Å; E215-K218 IonicContact OE1-NZ 2.86Å; E215-K218 PolarHBondContact OE1-NZ 3.49Å; E215-K218 WeakPolarHBondContact OE2-CD 3.38Å; E215-K218 IonicContact OE2-NZ 3.52Å; E215-K218 PolarHBondContact OE2-NZ 2.9Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 3.48Å; K218-K221 PolarHBondContact O-N 3.17Å; K218-F222 WeakPolarHBondContact O-CB 3.21Å; K218-F222 PolarHBondContact O-N 3.23Å |
| 219 | I | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 176.6 | -64.4 | 167.5 | 0 | 0 | 0 | 110.2 | I65 V66 I69 I138 L201 L203 E215 I216 K221 F222 L223 | I65-I219 HydrophobicContact CG2-CD1 3.83Å; V66-I219 HydrophobicContact CG2-CG2 4.07Å; I69-I219 HydrophobicContact CD1-CB 4.08Å; I69-I219 HydrophobicContact CD1-CG2 3.55Å; I138-I219 HydrophobicContact CD1-CG2 3.92Å; L201-I219 HydrophobicContact CD2-CB 4.41Å; L201-I219 HydrophobicContact CD2-CG1 3.9Å; L203-I219 HydrophobicContact CD1-CD1 3.74Å; L203-I219 HydrophobicContact CD1-CG1 3.66Å; E215-I219 WeakPolarHBondContact O-CG1 3.36Å; E215-I219 PolarHBondContact O-N 3.15Å; I216-I219 WeakPolarHBondContact O-CB 3.09Å; I216-I219 PolarHBondContact O-N 3.1Å; I216-I219 VanDerWaalsContact O-N 3.16Å; I219-K221 VanDerWaalsContact C-N 3.34Å; I219-K221 PolarHBondContact O-N 2.89Å; I219-F222 PolarHBondContact O-N 2.95Å; I219-F222 VanDerWaalsContact O-N 3.16Å; I219-L223 HydrophobicContact CG2-CD1 3.81Å; I219-L223 HydrophobicContact CG2-CG 4.16Å; I219-L223 WeakPolarHBondContact O-CB 3.35Å; I219-L223 VanDerWaalsContact O-CG 3.31Å; I219-L223 WeakPolarHBondContact O-CG 3.45Å; I219-L223 PolarHBondContact O-N 2.75Å |
| 220 | M | 97.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 80.1 Ų | 80.1 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.2 | -47.6 | 177.6 | -69.5 | 165.8 | 46.1 | 0 | 0 | 112.3 | I69 I216 Q217 F222 L223 E224 K225 V227 L232 | I69-M220 HydrophobicContact CD1-CG 3.71Å; I69-M220 HydrophobicContact CG1-CG 3.9Å; I69-M220 HydrophobicContact CG2-CG 4.17Å; I216-M220 HydrophobicContact CG2-CG 4.41Å; I216-M220 HydrophobicContact CG2-SD 4.13Å; I216-M220 WeakPolarHBondContact O-CG 3.35Å; I216-M220 PolarHBondContact O-N 2.91Å; Q217-M220 PolarHBondContact O-N 3.01Å; M220-F222 VanDerWaalsContact C-N 3.33Å; M220-F222 PolarHBondContact O-N 3.2Å; M220-L223 CarbonylContact O-C 3.42Å; M220-L223 PolarHBondContact O-N 3.17Å; M220-E224 PolarHBondContact O-N 3.01Å; M220-K225 PolarHBondContact O-N 3.35Å; M220-V227 HydrophobicContact CE-CB 3.85Å; M220-V227 HydrophobicContact CE-CG1 4Å; M220-V227 HydrophobicContact CE-CG2 3.12Å; M220-V227 HydrophobicContact CG-CG2 4.45Å; M220-V227 HydrophobicContact SD-CG2 3.51Å; M220-V227 VanDerWaalsContact SD-CG2 3.51Å; M220-L232 HydrophobicContact SD-CD1 4Å |
| 221 | K | 97.6 | Very high | 95 | Very high | 178 Ų | 178 | 75.5 Ų | 75.5 | 77% | 0.774 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.6 | -44.6 | 176.9 | -178 | 178 | 178.8 | 179.1 | 0 | 111.4 | Q217 K218 I219 L223 E224 | Q217-K221 WeakPolarHBondContact O-CB 3.19Å; Q217-K221 PolarHBondContact O-N 3.38Å; K218-K221 PolarHBondContact O-N 3.17Å; I219-K221 VanDerWaalsContact C-N 3.34Å; I219-K221 PolarHBondContact O-N 2.89Å; K221-L223 VanDerWaalsContact C-N 3.32Å; K221-L223 PolarHBondContact O-N 3.27Å; K221-E224 PolarHBondContact O-N 3.35Å; K221-E224 VanDerWaalsContact O-N 3.1Å |
| 222 | F | 98.4 | Very high | 94.9 | Very high | 42 Ų | 42 | 72.3 Ų | 72.3 | 18% | 0.184 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 178.1 | -179.5 | -106.6 | 0 | 0 | 0 | 112.7 | K136 I137 I138 R199 L201 K218 I219 M220 E224 | K136-F222 HydrophobicContact CB-CE1 3.83Å; K136-F222 HydrophobicContact CB-CZ 3.92Å; K136-F222 HydrophobicContact CD-CE1 4.24Å; K136-F222 HydrophobicContact CD-CZ 4.45Å; K136-F222 WeakPolarHBondContact CE-O 3.36Å; K136-F222 HydrophobicContact CG-CE1 4.25Å; K136-F222 HydrophobicContact CG-CZ 4.12Å; K136-F222 PolarHBondContact NZ-O 3.03Å; I137-F222 WeakPolarHBondContact O-CE1 3.46Å; I137-F222 WeakPolarHBondContact O-CZ 3.29Å; I138-F222 HydrophobicContact CD1-CD1 4.36Å; I138-F222 HydrophobicContact CG1-CD1 3.89Å; I138-F222 HydrophobicContact CG1-CE1 3.8Å; R199-F222 WeakPolarHBondContact O-CZ 3.22Å; L201-F222 HydrophobicContact CB-CB 4.34Å; L201-F222 HydrophobicContact CB-CD1 3.73Å; L201-F222 HydrophobicContact CB-CD2 3.8Å; L201-F222 HydrophobicContact CB-CE1 3.88Å; L201-F222 HydrophobicContact CB-CE2 3.94Å; L201-F222 HydrophobicContact CB-CG 3.69Å; L201-F222 HydrophobicContact CB-CZ 3.98Å; L201-F222 HydrophobicContact CD2-CB 3.77Å; L201-F222 HydrophobicContact CD2-CD1 4.09Å; L201-F222 HydrophobicContact CD2-CG 3.98Å; L201-F222 HydrophobicContact CG-CB 4.47Å; L201-F222 HydrophobicContact CG-CG 4.33Å; K218-F222 WeakPolarHBondContact O-CB 3.21Å; K218-F222 PolarHBondContact O-N 3.23Å; I219-F222 PolarHBondContact O-N 2.95Å; I219-F222 VanDerWaalsContact O-N 3.16Å; M220-F222 VanDerWaalsContact C-N 3.33Å; M220-F222 PolarHBondContact O-N 3.2Å; F222-E224 PolarHBondContact O-N 3.19Å |
| 223 | L | 97.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 73.7 Ų | 73.7 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -3.2 | 174.1 | -64.3 | -177.1 | 0 | 0 | 0 | 113.4 | L49 V66 I69 I138 I219 M220 K221 K225 | L49-L223 HydrophobicContact CD1-CD2 3.94Å; L49-L223 HydrophobicContact CD2-CD2 3.61Å; L49-L223 HydrophobicContact CG-CD2 4.41Å; V66-L223 HydrophobicContact CG1-CD1 4.25Å; V66-L223 HydrophobicContact CG2-CD1 4.38Å; I69-L223 HydrophobicContact CB-CD1 4.45Å; I69-L223 HydrophobicContact CG2-CD1 4.02Å; I138-L223 HydrophobicContact CD1-CD2 4.27Å; I219-L223 HydrophobicContact CG2-CD1 3.81Å; I219-L223 HydrophobicContact CG2-CG 4.16Å; I219-L223 WeakPolarHBondContact O-CB 3.35Å; I219-L223 VanDerWaalsContact O-CG 3.31Å; I219-L223 WeakPolarHBondContact O-CG 3.45Å; I219-L223 PolarHBondContact O-N 2.75Å; M220-L223 CarbonylContact O-C 3.42Å; M220-L223 PolarHBondContact O-N 3.17Å; K221-L223 VanDerWaalsContact C-N 3.32Å; K221-L223 PolarHBondContact O-N 3.27Å; L223-K225 HydrophobicContact CB-CG 4.12Å; L223-K225 PolarHBondContact O-N 3.34Å |
| 224 | E | 96.9 | Very high | 94.8 | Very high | 142 Ų | 142 | 72.5 Ų | 72.5 | 66% | 0.664 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 39.3 | -176.7 | -60.5 | 164.4 | -122.9 | 0 | 0 | 111.6 | K136 R199 M220 K221 F222 | K136-E224 VanDerWaalsContact CE-OE1 3.25Å; K136-E224 WeakPolarHBondContact CE-OE1 3.3Å; K136-E224 IonicContact NZ-OE1 3.24Å; K136-E224 PolarHBondContact NZ-OE1 3.01Å; R199-E224 IonicContact NH2-OE1 3.58Å; M220-E224 PolarHBondContact O-N 3.01Å; K221-E224 PolarHBondContact O-N 3.35Å; K221-E224 VanDerWaalsContact O-N 3.1Å; F222-E224 PolarHBondContact O-N 3.19Å |
| 225 | K | 94.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | trans | -108.4 | 116.9 | 177.1 | -70.6 | -72.5 | -175.4 | 172.1 | 0 | 109.2 | I69 M220 L223 V227 | I69-K225 HydrophobicContact CG2-CB 3.82Å; I69-K225 HydrophobicContact CG2-CG 3.91Å; M220-K225 PolarHBondContact O-N 3.35Å; L223-K225 HydrophobicContact CB-CG 4.12Å; L223-K225 PolarHBondContact O-N 3.34Å; K225-V227 HydrophobicContact CB-CG1 4.22Å | ||
| 226 | D | 86.8 | Confident | 94.8 | Very high | 160 Ų | 160 | 70 Ų | 70 | 86% | 0.856 | 34% | 0.336 | S | S | * | . | trans | -84.8 | 117 | 165.5 | -160.5 | 2.9 | 0 | 0 | 0 | 107.6 | ||||
| 227 | V | 78.6 | Confident | 94.8 | Very high | 14 Ų | 14 | 74.6 Ų | 74.6 | 9% | 0.085 | 36% | 0.358 | C | S | . | . | trans | -121 | 139.3 | 177.3 | -40.1 | 0 | 0 | 0 | 0 | 109.9 | M220 K225 V231 L232 I235 | M220-V227 HydrophobicContact CE-CB 3.85Å; M220-V227 HydrophobicContact CE-CG1 4Å; M220-V227 HydrophobicContact CE-CG2 3.12Å; M220-V227 HydrophobicContact CG-CG2 4.45Å; M220-V227 HydrophobicContact SD-CG2 3.51Å; M220-V227 VanDerWaalsContact SD-CG2 3.51Å; K225-V227 HydrophobicContact CB-CG1 4.22Å; V227-V231 HydrophobicContact CB-CB 4.06Å; V227-V231 HydrophobicContact CB-CG1 3.84Å; V227-V231 HydrophobicContact CG1-CG1 4.38Å; V227-V231 HydrophobicContact CG2-CB 4.05Å; V227-V231 HydrophobicContact CG2-CG1 3.9Å; V227-L232 HydrophobicContact CG2-CB 4.16Å; V227-I235 HydrophobicContact CG2-CD1 4.47Å | ||
| 228 | E | 87.8 | Confident | 94.8 | Very high | 140 Ų | 140 | 72.7 Ų | 72.7 | 65% | 0.654 | 35% | 0.349 | S | S | * | . | trans | -62.9 | 157.6 | 178.2 | -60.3 | -177 | 165.6 | 0 | 0 | 110.9 | E230 V231 L232 | E228-E230 PolarHBondContact O-N 3.14Å; E228-V231 HydrophobicContact CB-CG2 4.38Å; E228-V231 PolarHBondContact O-N 2.96Å; E228-V231 VanDerWaalsContact O-N 3.08Å; E228-L232 PolarHBondContact O-N 3.23Å | ||
| 229 | K | 89.9 | Confident | 94.8 | Very high | 167 Ų | 167 | 69.4 Ų | 69.4 | 73% | 0.726 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.8 | -32.9 | -177.8 | -70.5 | 179.4 | -179.8 | 173.5 | 0 | 111.7 | L232 S233 | K229-L232 PolarHBondContact O-N 3.1Å; K229-S233 WeakPolarHBondContact O-CB 3.46Å; K229-S233 PolarHBondContact O-N 2.97Å; K229-S233 PolarHBondContact O-OG 2.97Å |
| 230 | E | 91.5 | Very high | 94.8 | Very high | 118 Ų | 118 | 71.8 Ų | 71.8 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.6 | -45.8 | 177.8 | -66.7 | 67 | -150.2 | 0 | 0 | 110.3 | E228 S233 Q234 | E228-E230 PolarHBondContact O-N 3.14Å; E230-S233 WeakPolarHBondContact O-CB 3.5Å; E230-S233 PolarHBondContact O-N 3.1Å; E230-Q234 WeakPolarHBondContact O-CG 3.12Å; E230-Q234 PolarHBondContact O-N 3.46Å |
| 231 | V | 92.6 | Very high | 94.8 | Very high | 18 Ų | 18 | 72.9 Ų | 72.9 | 11% | 0.109 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 175.9 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | A73 V227 E228 S233 Q234 I235 | A73-V231 HydrophobicContact CB-CG1 3.87Å; V227-V231 HydrophobicContact CB-CB 4.06Å; V227-V231 HydrophobicContact CB-CG1 3.84Å; V227-V231 HydrophobicContact CG1-CG1 4.38Å; V227-V231 HydrophobicContact CG2-CB 4.05Å; V227-V231 HydrophobicContact CG2-CG1 3.9Å; E228-V231 HydrophobicContact CB-CG2 4.38Å; E228-V231 PolarHBondContact O-N 2.96Å; E228-V231 VanDerWaalsContact O-N 3.08Å; V231-S233 VanDerWaalsContact C-N 3.27Å; V231-S233 PolarHBondContact O-N 3.29Å; V231-Q234 PolarHBondContact O-N 2.95Å; V231-Q234 VanDerWaalsContact O-N 3.15Å; V231-I235 HydrophobicContact CG1-CD1 3.95Å; V231-I235 WeakPolarHBondContact O-CG1 3.33Å; V231-I235 PolarHBondContact O-N 3.21Å |
| 232 | L | 96.1 | Very high | 94.9 | Very high | 11 Ų | 11 | 69.8 Ų | 69.8 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 175.5 | 176 | 58.7 | 0 | 0 | 0 | 112 | K213 I216 Q217 M220 V227 E228 K229 Q234 I235 L236 | K213-L232 HydrophobicContact CG-CD2 4.21Å; I216-L232 HydrophobicContact CB-CD1 4.25Å; I216-L232 HydrophobicContact CG2-CD1 3.51Å; Q217-L232 HydrophobicContact CG-CD1 4.49Å; Q217-L232 HydrophobicContact CG-CD2 3.87Å; M220-L232 HydrophobicContact SD-CD1 4Å; V227-L232 HydrophobicContact CG2-CB 4.16Å; E228-L232 PolarHBondContact O-N 3.23Å; K229-L232 PolarHBondContact O-N 3.1Å; L232-Q234 VanDerWaalsContact C-N 3.34Å; L232-I235 PolarHBondContact O-N 3.27Å; L232-L236 HydrophobicContact CD1-CD1 4.27Å; L232-L236 HydrophobicContact CD1-CG 4.36Å; L232-L236 HydrophobicContact CG-CD1 4.13Å; L232-L236 WeakPolarHBondContact O-CB 3.42Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3Å |
| 233 | S | 97.1 | Very high | 94.9 | Very high | 72 Ų | 72 | 71.4 Ų | 71.4 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 177.6 | -58 | 0 | 0 | 0 | 0 | 111.9 | K229 E230 V231 L236 H237 | K229-S233 WeakPolarHBondContact O-CB 3.46Å; K229-S233 PolarHBondContact O-N 2.97Å; K229-S233 PolarHBondContact O-OG 2.97Å; E230-S233 WeakPolarHBondContact O-CB 3.5Å; E230-S233 PolarHBondContact O-N 3.1Å; V231-S233 VanDerWaalsContact C-N 3.27Å; V231-S233 PolarHBondContact O-N 3.29Å; S233-L236 PolarHBondContact O-N 3.33Å; S233-H237 WeakPolarHBondContact O-CB 3.38Å; S233-H237 PolarHBondContact O-N 3.24Å |
| 234 | Q | 97.7 | Very high | 94.9 | Very high | 84 Ų | 84 | 70.6 Ų | 70.6 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 174.1 | -69.3 | -177.9 | 39.5 | 0 | 0 | 112.1 | A73 E230 V231 L232 L236 H237 H238 | A73-Q234 HydrophobicContact CB-CB 3.68Å; E230-Q234 WeakPolarHBondContact O-CG 3.12Å; E230-Q234 PolarHBondContact O-N 3.46Å; V231-Q234 PolarHBondContact O-N 2.95Å; V231-Q234 VanDerWaalsContact O-N 3.15Å; L232-Q234 VanDerWaalsContact C-N 3.34Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 2.95Å; Q234-H237 PolarHBondContact O-N 3.49Å; Q234-H238 WeakPolarHBondContact O-CB 3.28Å; Q234-H238 PolarHBondContact O-CD2 2.83Å; Q234-H238 VanDerWaalsContact O-CD2 3.26Å; Q234-H238 PolarHBondContact O-N 3.42Å |
| 235 | I | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.8 | -49.5 | 175.6 | -63.6 | 160.9 | 0 | 0 | 0 | 109.6 | I65 M68 I69 A73 I216 V227 V231 L232 H237 H238 T239 | I65-I235 HydrophobicContact CG2-CG2 4.42Å; M68-I235 HydrophobicContact CB-CG1 3.89Å; M68-I235 HydrophobicContact CB-CG2 4.44Å; M68-I235 HydrophobicContact CE-CG1 4.23Å; I69-I235 HydrophobicContact CG1-CD1 3.69Å; A73-I235 HydrophobicContact CB-CG1 4.2Å; I216-I235 HydrophobicContact CD1-CG2 4.09Å; I216-I235 HydrophobicContact CG2-CG2 4.08Å; V227-I235 HydrophobicContact CG2-CD1 4.47Å; V231-I235 HydrophobicContact CG1-CD1 3.95Å; V231-I235 WeakPolarHBondContact O-CG1 3.33Å; V231-I235 PolarHBondContact O-N 3.21Å; L232-I235 PolarHBondContact O-N 3.27Å; I235-H237 VanDerWaalsContact C-N 3.31Å; I235-H237 PolarHBondContact O-N 3.3Å; I235-H238 PolarHBondContact O-N 3.4Å; I235-T239 HydrophobicContact CG2-CG2 4.23Å; I235-T239 WeakPolarHBondContact O-CB 3.37Å; I235-T239 WeakPolarHBondContact O-CG2 3.39Å; I235-T239 PolarHBondContact O-N 3.32Å; I235-T239 PolarHBondContact O-OG1 3.45Å |
| 236 | L | 98.2 | Very high | 95.2 | Very high | 42 Ų | 42 | 70.6 Ų | 70.6 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.1 | -43.8 | 178 | -77.5 | 164.8 | 0 | 0 | 0 | 112.4 | P212 K213 I216 L232 S233 Q234 T240 | P212-L236 HydrophobicContact CB-CD2 3.92Å; P212-L236 HydrophobicContact CG-CD2 4.13Å; K213-L236 HydrophobicContact CB-CD1 3.98Å; K213-L236 HydrophobicContact CB-CD2 4.09Å; K213-L236 HydrophobicContact CD-CD1 4.37Å; K213-L236 HydrophobicContact CG-CD1 4.05Å; I216-L236 HydrophobicContact CD1-CD2 3.66Å; I216-L236 HydrophobicContact CD1-CG 4.21Å; L232-L236 HydrophobicContact CD1-CD1 4.27Å; L232-L236 HydrophobicContact CD1-CG 4.36Å; L232-L236 HydrophobicContact CG-CD1 4.13Å; L232-L236 WeakPolarHBondContact O-CB 3.42Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3Å; S233-L236 PolarHBondContact O-N 3.33Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-L236 PolarHBondContact O-N 2.95Å; L236-T240 VanDerWaalsContact O-CG2 3.3Å; L236-T240 WeakPolarHBondContact O-CG2 3.4Å |
| 237 | H | 98.3 | Very high | 95.7 | Very high | 98 Ų | 98 | 63.3 Ų | 63.3 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.5 | -47.9 | -179.6 | -179.6 | 68.2 | 0 | 0 | 0 | 112.6 | S233 Q234 I235 T240 K243 | S233-H237 WeakPolarHBondContact O-CB 3.38Å; S233-H237 PolarHBondContact O-N 3.24Å; Q234-H237 PolarHBondContact O-N 3.49Å; I235-H237 VanDerWaalsContact C-N 3.31Å; I235-H237 PolarHBondContact O-N 3.3Å; H237-T240 WeakPolarHBondContact O-CG2 3.2Å; H237-K243 VanDerWaalsContact CE1-CE 3.5Å; H237-K243 WeakPolarHBondContact CE1-CE 3.5Å; H237-K243 VanDerWaalsContact NE2-CE 3.28Å; H237-K243 WeakPolarHBondContact NE2-CE 3.4Å; H237-K243 WeakPolarHBondContact O-CG 3.46Å |
| 238 | H | 98.3 | Very high | 96.5 | Very high | 46 Ų | 46 | 64.8 Ų | 64.8 | 21% | 0.213 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -81.2 | -17.1 | -172.8 | -74.6 | -68.8 | 0 | 0 | 0 | 114 | M68 I75 Q234 I235 K243 | M68-H238 HydrophobicContact CE-CB 3.74Å; M68-H238 HydrophobicContact SD-CB 3.64Å; I75-H238 HydrophobicContact CD1-CB 4.4Å; I75-H238 VanDerWaalsContact CD1-CD2 3.46Å; I75-H238 WeakPolarHBondContact CD1-CD2 3.31Å; Q234-H238 WeakPolarHBondContact O-CB 3.28Å; Q234-H238 PolarHBondContact O-CD2 2.83Å; Q234-H238 VanDerWaalsContact O-CD2 3.26Å; Q234-H238 PolarHBondContact O-N 3.42Å; I235-H238 PolarHBondContact O-N 3.4Å; H238-K243 WeakPolarHBondContact O-CB 3.42Å |
| 239 | T | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 13.8 | 176.2 | 64.9 | 0 | 0 | 0 | 0 | 113.1 | W61 E64 I65 M68 I235 | W61-T239 PolarHBondContact NE1-O 3.09Å; E64-T239 HydrophobicContact CB-CG2 4.34Å; E64-T239 HydrophobicContact CG-CG2 4.05Å; I65-T239 HydrophobicContact CG1-CG2 3.71Å; M68-T239 HydrophobicContact SD-CG2 3.68Å; I235-T239 HydrophobicContact CG2-CG2 4.23Å; I235-T239 WeakPolarHBondContact O-CB 3.37Å; I235-T239 WeakPolarHBondContact O-CG2 3.39Å; I235-T239 PolarHBondContact O-N 3.32Å; I235-T239 PolarHBondContact O-OG1 3.45Å |
| 240 | T | 98.6 | Very high | 97.3 | Very high | 49 Ų | 49 | 51.5 Ų | 51.5 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -65.4 | 156.3 | 165.7 | 72.7 | 0 | 0 | 0 | 0 | 110.6 | L236 H237 E242 K243 M244 | L236-T240 VanDerWaalsContact O-CG2 3.3Å; L236-T240 WeakPolarHBondContact O-CG2 3.4Å; H237-T240 WeakPolarHBondContact O-CG2 3.2Å; T240-E242 VanDerWaalsContact C-N 3.27Å; T240-E242 PolarHBondContact O-N 2.98Å; T240-E242 PolarHBondContact OG1-OE2 3.07Å; T240-K243 PolarHBondContact O-N 2.92Å; T240-K243 WeakPolarHBondContact OG1-CG 3.36Å; T240-K243 PolarHBondContact OG1-N 3.06Å; T240-M244 WeakPolarHBondContact O-CB 3.18Å; T240-M244 WeakPolarHBondContact O-CG 3.47Å; T240-M244 PolarHBondContact O-N 2.92Å |
| 241 | F | 98.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 17% | 0.171 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58 | -42.5 | 179.1 | 175.2 | -103.2 | 0 | 0 | 0 | 111.7 | M244 K245 M268 K270 | F241-M244 PolarHBondContact O-N 3.34Å; F241-K245 HydrophobicContact CE1-CD 3.9Å; F241-K245 HydrophobicContact CZ-CD 4.03Å; F241-K245 WeakPolarHBondContact O-CB 3.38Å; F241-K245 PolarHBondContact O-N 3.42Å; F241-M268 HydrophobicContact CE2-CB 4Å; F241-M268 HydrophobicContact CE2-SD 4.35Å; F241-M268 HydrophobicContact CZ-CB 4.23Å; F241-M268 WeakPolarHBondContact CZ-O 3.43Å; F241-K270 WeakPolarHBondContact CE1-O 3.3Å; F241-K270 VanDerWaalsContact CZ-C 3.47Å |
| 242 | E | 98.6 | Very high | 97.8 | Very high | 114 Ų | 114 | 46.1 Ų | 46.1 | 53% | 0.533 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -47.5 | -178.9 | -62 | 67.7 | -145.8 | 0 | 0 | 110.7 | T240 M244 K245 E246 | T240-E242 VanDerWaalsContact C-N 3.27Å; T240-E242 PolarHBondContact O-N 2.98Å; T240-E242 PolarHBondContact OG1-OE2 3.07Å; E242-M244 PolarHBondContact O-N 2.79Å; E242-K245 PolarHBondContact O-N 3.37Å; E242-E246 WeakPolarHBondContact O-CG 3.28Å; E242-E246 PolarHBondContact O-N 3.39Å; E242-E246 VanDerWaalsContact O-N 3.09Å |
| 243 | K | 98.4 | Very high | 97.7 | Very high | 75 Ų | 75 | 49.4 Ų | 49.4 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 178.1 | -71.4 | -52.6 | -173 | -171.7 | 0 | 112.7 | H237 H238 T240 E246 N247 | H237-K243 VanDerWaalsContact CE1-CE 3.5Å; H237-K243 WeakPolarHBondContact CE1-CE 3.5Å; H237-K243 VanDerWaalsContact NE2-CE 3.28Å; H237-K243 WeakPolarHBondContact NE2-CE 3.4Å; H237-K243 WeakPolarHBondContact O-CG 3.46Å; H238-K243 WeakPolarHBondContact O-CB 3.42Å; T240-K243 PolarHBondContact O-N 2.92Å; T240-K243 WeakPolarHBondContact OG1-CG 3.36Å; T240-K243 PolarHBondContact OG1-N 3.06Å; K243-E246 PolarHBondContact O-N 2.93Å; K243-N247 WeakPolarHBondContact O-CB 3.42Å; K243-N247 PolarHBondContact O-N 3.4Å; K243-N247 VanDerWaalsContact O-N 3.09Å |
| 244 | M | 98.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70 | -33.7 | 176.8 | -69.1 | -170.8 | 69.6 | 0 | 0 | 112.5 | T60 W61 E64 T240 F241 E242 E246 N247 A250 M268 | T60-M244 HydrophobicContact CG2-CE 4.05Å; T60-M244 WeakPolarHBondContact O-CE 3.35Å; W61-M244 HydrophobicContact CG-SD 4.36Å; E64-M244 HydrophobicContact CB-CE 3.43Å; E64-M244 VanDerWaalsContact CB-CE 3.43Å; E64-M244 HydrophobicContact CB-SD 4.08Å; E64-M244 HydrophobicContact CG-CE 3.89Å; E64-M244 HydrophobicContact CG-SD 4.32Å; T240-M244 WeakPolarHBondContact O-CB 3.18Å; T240-M244 WeakPolarHBondContact O-CG 3.47Å; T240-M244 PolarHBondContact O-N 2.92Å; F241-M244 PolarHBondContact O-N 3.34Å; E242-M244 PolarHBondContact O-N 2.79Å; M244-E246 VanDerWaalsContact C-N 3.34Å; M244-N247 PolarHBondContact O-N 2.94Å; M244-A250 HydrophobicContact CE-CB 4.02Å; M244-M268 HydrophobicContact CB-CE 4.05Å; M244-M268 HydrophobicContact CE-CE 4.03Å |
| 245 | K | 98.4 | Very high | 96.8 | Very high | 92 Ų | 92 | 48.8 Ų | 48.8 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64 | -38.5 | 174.8 | -177.3 | 170.6 | -177.7 | 175.6 | 0 | 112.2 | F241 E242 N251 M268 | F241-K245 HydrophobicContact CE1-CD 3.9Å; F241-K245 HydrophobicContact CZ-CD 4.03Å; F241-K245 WeakPolarHBondContact O-CB 3.38Å; F241-K245 PolarHBondContact O-N 3.42Å; E242-K245 PolarHBondContact O-N 3.37Å; K245-N251 PolarHBondContact O-ND2 3.01Å; K245-M268 HydrophobicContact CB-CB 3.88Å; K245-M268 HydrophobicContact CB-CG 4.34Å; K245-M268 HydrophobicContact CD-CB 4.34Å; K245-M268 HydrophobicContact CG-CB 3.82Å |
| 246 | E | 97.8 | Very high | 96.2 | Very high | 136 Ų | 136 | 50 Ų | 50 | 64% | 0.636 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -76.6 | -19.9 | 174.9 | -68.5 | 170.3 | -177.8 | 0 | 0 | 113.3 | E242 K243 M244 P248 | E242-E246 WeakPolarHBondContact O-CG 3.28Å; E242-E246 PolarHBondContact O-N 3.39Å; E242-E246 VanDerWaalsContact O-N 3.09Å; K243-E246 PolarHBondContact O-N 2.93Å; M244-E246 VanDerWaalsContact C-N 3.34Å; E246-P248 WeakPolarHBondContact O-CD 3.42Å |
| 247 | N | 97.8 | Very high | 95.6 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | trans | -81.9 | 108.8 | -176.1 | -177.9 | 7 | 0 | 0 | 0 | 111.8 | E64 K243 M244 M249 A250 N251 | E64-N247 PolarHBondContact OE1-ND2 2.87Å; E64-N247 VanDerWaalsContact OE1-ND2 3.17Å; K243-N247 WeakPolarHBondContact O-CB 3.42Å; K243-N247 PolarHBondContact O-N 3.4Å; K243-N247 VanDerWaalsContact O-N 3.09Å; M244-N247 PolarHBondContact O-N 2.94Å; N247-M249 PolarHBondContact O-N 3.09Å; N247-M249 VanDerWaalsContact O-N 3.08Å; N247-M249 WeakPolarHBondContact OD1-CB 3.32Å; N247-M249 PolarHBondContact OD1-N 2.96Å; N247-A250 HydrophobicContact CB-CB 4.2Å; N247-A250 PolarHBondContact O-N 3.35Å; N247-N251 WeakPolarHBondContact O-CB 3.34Å; N247-N251 PolarHBondContact O-N 2.94Å; N247-N251 PolarHBondContact O-OD1 2.85Å | ||
| 248 | P | 96.5 | Very high | 95 | Very high | 46 Ų | 46 | 54.9 Ų | 54.9 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13.7 | 180 | 30.1 | -37.2 | 0 | 0 | 0 | 113.8 | E246 A250 N251 K254 | E246-P248 WeakPolarHBondContact O-CD 3.42Å; P248-A250 VanDerWaalsContact C-N 3.34Å; P248-N251 VanDerWaalsContact CA-OD1 3.31Å; P248-N251 WeakPolarHBondContact CA-OD1 3.48Å; P248-K254 HydrophobicContact CB-CD 3.87Å; P248-K254 HydrophobicContact CB-CG 4.12Å |
| 249 | M | 97.4 | Very high | 94.5 | Very high | 27 Ų | 27 | 53.3 Ų | 53.3 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.9 | 174.1 | -57.6 | -67.3 | 89.3 | 0 | 0 | 113.1 | R79 S82 T83 R86 N247 K254 | R79-M249 HydrophobicContact CB-CG 4Å; R79-M249 HydrophobicContact CG-CG 4.2Å; S82-M249 CarbonylContact C-O 3.47Å; T83-M249 WeakPolarHBondContact CB-O 3.36Å; T83-M249 PolarHBondContact N-O 2.6Å; R86-M249 PolarHBondContact NH2-O 3.27Å; N247-M249 PolarHBondContact O-N 3.09Å; N247-M249 VanDerWaalsContact O-N 3.08Å; N247-M249 WeakPolarHBondContact OD1-CB 3.32Å; N247-M249 PolarHBondContact OD1-N 2.96Å; M249-K254 HydrophobicContact CE-CD 3.4Å; M249-K254 VanDerWaalsContact CE-CD 3.4Å; M249-K254 HydrophobicContact CE-CG 4.5Å |
| 250 | A | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | -25.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T60 M244 N247 P248 Y252 M268 | T60-A250 WeakPolarHBondContact CG2-O 3.23Å; M244-A250 HydrophobicContact CE-CB 4.02Å; N247-A250 HydrophobicContact CB-CB 4.2Å; N247-A250 PolarHBondContact O-N 3.35Å; P248-A250 VanDerWaalsContact C-N 3.34Å; A250-Y252 WeakPolarHBondContact O-CD2 3.4Å; A250-M268 VanDerWaalsContact O-CE 3.28Å; A250-M268 WeakPolarHBondContact O-CE 3.14Å |
| 251 | N | 97.2 | Very high | 94.1 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -87.4 | 1.6 | -173.9 | 70.5 | 6.4 | 0 | 0 | 0 | 115.2 | K245 N247 P248 T253 H262 M268 | K245-N251 PolarHBondContact O-ND2 3.01Å; N247-N251 WeakPolarHBondContact O-CB 3.34Å; N247-N251 PolarHBondContact O-N 2.94Å; N247-N251 PolarHBondContact O-OD1 2.85Å; P248-N251 VanDerWaalsContact CA-OD1 3.31Å; P248-N251 WeakPolarHBondContact CA-OD1 3.48Å; N251-T253 VanDerWaalsContact C-N 3.28Å; N251-T253 PolarHBondContact O-N 3.42Å; N251-T253 WeakPolarHBondContact OD1-CG2 3.45Å; N251-T253 PolarHBondContact OD1-N 2.89Å; N251-T253 PolarHBondContact OD1-OG1 3.25Å; N251-H262 PolarHBondContact O-CE1 3.2Å; N251-M268 HydrophobicContact CB-CG 3.84Å |
| 252 | Y | 95.4 | Very high | 94 | Very high | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 63.4 | 17.6 | -178.5 | -70.2 | -99.4 | 0 | 0 | 0 | 115.8 | T60 T83 A250 K254 D255 F256 M260 H262 F267 | T60-Y252 HydrophobicContact CG2-CE2 4.1Å; T83-Y252 HydrophobicContact CG2-CD2 4.28Å; T83-Y252 HydrophobicContact CG2-CE1 4.44Å; T83-Y252 HydrophobicContact CG2-CE2 3.54Å; A250-Y252 WeakPolarHBondContact O-CD2 3.4Å; Y252-K254 VanDerWaalsContact C-N 3.28Å; Y252-K254 PolarHBondContact O-N 3.22Å; Y252-D255 HydrophobicContact CD1-CB 4.39Å; Y252-F256 AromaticContact CD1-CD2 3.86Å; Y252-F256 HydrophobicContact CD1-CD2 3.86Å; Y252-F256 AromaticContact CD1-CE2 3.74Å; Y252-F256 HydrophobicContact CD1-CE2 3.74Å; Y252-F256 HydrophobicContact CE1-CD2 4.34Å; Y252-F256 AromaticContact CE1-CE2 3.76Å; Y252-F256 HydrophobicContact CE1-CE2 3.76Å; Y252-M260 HydrophobicContact CD1-CE 4.39Å; Y252-M260 HydrophobicContact CD1-SD 4.32Å; Y252-H262 PolarHBondContact O-NE2 3.36Å; Y252-F267 AromaticContact CD2-CD1 3.61Å; Y252-F267 HydrophobicContact CD2-CD1 3.61Å; Y252-F267 AromaticContact CD2-CD2 4Å; Y252-F267 HydrophobicContact CD2-CD2 4Å; Y252-F267 AromaticContact CD2-CE1 3.46Å; Y252-F267 HydrophobicContact CD2-CE1 3.46Å; Y252-F267 VanDerWaalsContact CD2-CE1 3.46Å; Y252-F267 AromaticContact CD2-CE2 3.86Å; Y252-F267 HydrophobicContact CD2-CE2 3.86Å; Y252-F267 AromaticContact CD2-CG 3.88Å; Y252-F267 HydrophobicContact CD2-CG 3.88Å; Y252-F267 AromaticContact CD2-CZ 3.6Å; Y252-F267 HydrophobicContact CD2-CZ 3.6Å; Y252-F267 HydrophobicContact CE2-CD1 4.21Å; Y252-F267 AromaticContact CE2-CE1 3.57Å; Y252-F267 HydrophobicContact CE2-CE1 3.57Å; Y252-F267 AromaticContact CE2-CE2 3.9Å; Y252-F267 HydrophobicContact CE2-CE2 3.9Å; Y252-F267 AromaticContact CE2-CZ 3.39Å; Y252-F267 HydrophobicContact CE2-CZ 3.39Å; Y252-F267 HydrophobicContact CG-CD1 4.45Å; Y252-F267 HydrophobicContact CG-CD2 4.27Å; Y252-F267 HydrophobicContact CG-CE2 4.38Å; Y252-F267 HydrophobicContact CG-CG 4.31Å |
| 253 | T | 94 | Very high | 93.9 | Very high | 80 Ų | 80 | 54.7 Ų | 54.7 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.4 | 176.8 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | N251 | N251-T253 VanDerWaalsContact C-N 3.28Å; N251-T253 PolarHBondContact O-N 3.42Å; N251-T253 WeakPolarHBondContact OD1-CG2 3.45Å; N251-T253 PolarHBondContact OD1-N 2.89Å; N251-T253 PolarHBondContact OD1-OG1 3.25Å |
| 254 | K | 89.2 | Confident | 93.8 | Very high | 133 Ų | 133 | 54 Ų | 54 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -2.2 | 176.8 | -74.1 | -172.5 | 174.9 | -175.5 | 0 | 114.2 | P248 M249 Y252 | P248-K254 HydrophobicContact CB-CD 3.87Å; P248-K254 HydrophobicContact CB-CG 4.12Å; M249-K254 HydrophobicContact CE-CD 3.4Å; M249-K254 VanDerWaalsContact CE-CD 3.4Å; M249-K254 HydrophobicContact CE-CG 4.5Å; Y252-K254 VanDerWaalsContact C-N 3.28Å; Y252-K254 PolarHBondContact O-N 3.22Å |
| 255 | D | 86.8 | Confident | 93.8 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -116.7 | 158.3 | 178 | -55.4 | -69.8 | 0 | 0 | 0 | 108.9 | S82 Y252 E257 | S82-D255 VanDerWaalsContact CB-OD1 3.27Å; S82-D255 WeakPolarHBondContact CB-OD1 3.44Å; S82-D255 WeakPolarHBondContact CB-OD2 3.47Å; S82-D255 VanDerWaalsContact OG-CG 3.28Å; S82-D255 PolarHBondContact OG-OD1 3.5Å; S82-D255 PolarHBondContact OG-OD2 3.31Å; Y252-D255 HydrophobicContact CD1-CB 4.39Å; D255-E257 VanDerWaalsContact C-N 3.26Å; D255-E257 PolarHBondContact O-N 3.44Å |
| 256 | F | 86.4 | Confident | 93.7 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 11% | 0.114 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 55.9 | 37.6 | 173.3 | -52 | -80.9 | 0 | 0 | 0 | 113.6 | Y84 W92 L94 Y252 G258 I259 M260 | Y84-F256 HydrophobicContact CD1-CE2 4.42Å; Y84-F256 HydrophobicContact CD1-CZ 4.13Å; Y84-F256 HydrophobicContact CD2-CE2 4.16Å; Y84-F256 AromaticContact CD2-CZ 3.74Å; Y84-F256 HydrophobicContact CD2-CZ 3.74Å; Y84-F256 HydrophobicContact CE1-CZ 4.17Å; Y84-F256 AromaticContact CE2-CZ 3.76Å; Y84-F256 HydrophobicContact CE2-CZ 3.76Å; Y84-F256 HydrophobicContact CG-CE2 4.06Å; Y84-F256 AromaticContact CG-CZ 3.93Å; Y84-F256 HydrophobicContact CG-CZ 3.93Å; Y84-F256 AromaticContact CZ-CZ 3.99Å; W92-F256 AromaticContact NE1-CE1 3.89Å; L94-F256 HydrophobicContact CD1-CD1 4.15Å; L94-F256 HydrophobicContact CD1-CE1 3.88Å; L94-F256 HydrophobicContact CD2-CE1 4.5Å; Y252-F256 AromaticContact CD1-CD2 3.86Å; Y252-F256 HydrophobicContact CD1-CD2 3.86Å; Y252-F256 AromaticContact CD1-CE2 3.74Å; Y252-F256 HydrophobicContact CD1-CE2 3.74Å; Y252-F256 HydrophobicContact CE1-CD2 4.34Å; Y252-F256 AromaticContact CE1-CE2 3.76Å; Y252-F256 HydrophobicContact CE1-CE2 3.76Å; F256-G258 PolarHBondContact O-N 3.36Å; F256-I259 HydrophobicContact CB-CB 3.96Å; F256-I259 HydrophobicContact CB-CG2 4.12Å; F256-I259 HydrophobicContact CD1-CD1 4.35Å; F256-I259 HydrophobicContact CD1-CG2 4.45Å; F256-I259 WeakPolarHBondContact O-CA 3.22Å; F256-I259 WeakPolarHBondContact O-CB 3.46Å; F256-I259 PolarHBondContact O-N 3.27Å; F256-M260 HydrophobicContact CB-CB 4.15Å; F256-M260 HydrophobicContact CB-CE 4.37Å; F256-M260 HydrophobicContact CB-CG 3.81Å; F256-M260 HydrophobicContact CB-SD 4.21Å; F256-M260 HydrophobicContact CD2-CE 3.75Å; F256-M260 HydrophobicContact CD2-SD 4.1Å; F256-M260 HydrophobicContact CE2-CE 4.21Å; F256-M260 HydrophobicContact CG-CE 4Å; F256-M260 HydrophobicContact CG-CG 4.44Å; F256-M260 HydrophobicContact CG-SD 4.38Å; F256-M260 PolarHBondContact O-N 3.37Å |
| 257 | E | 85.3 | Confident | 93.8 | Very high | 183 Ų | 183 | 47.5 Ų | 47.5 | 86% | 0.855 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 135.6 | 171.7 | -172.8 | 172.8 | -168.1 | 0 | 0 | 110.1 | D255 I259 | D255-E257 VanDerWaalsContact C-N 3.26Å; D255-E257 PolarHBondContact O-N 3.44Å; E257-I259 PolarHBondContact O-N 3.17Å; E257-I259 VanDerWaalsContact O-N 3.16Å |
| 258 | G | 85.3 | Confident | 93.8 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 61% | 0.608 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | -14.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F256 | F256-G258 PolarHBondContact O-N 3.36Š|
| 259 | I | 89.3 | Confident | 93.9 | Very high | 12 Ų | 12 | 47.6 Ų | 47.6 | 6% | 0.062 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -47.6 | 178.4 | -69 | 168.6 | 0 | 0 | 0 | 111.3 | V15 L94 A98 N158 N159 I160 F256 E257 | V15-I259 HydrophobicContact CG2-CG1 4.38Å; L94-I259 HydrophobicContact CD1-CD1 4.42Å; A98-I259 HydrophobicContact CB-CD1 4.33Å; N158-I259 VanDerWaalsContact OD1-CG2 3.31Å; N158-I259 WeakPolarHBondContact OD1-CG2 3.32Å; N159-I259 WeakPolarHBondContact CB-O 3.41Å; N159-I259 PolarHBondContact N-O 3.15Å; I160-I259 HydrophobicContact CB-CG2 4.31Å; I160-I259 HydrophobicContact CD1-CG2 3.6Å; I160-I259 HydrophobicContact CG1-CG2 3.58Å; I160-I259 HydrophobicContact CG2-CD1 4.48Å; I160-I259 HydrophobicContact CG2-CG1 4.31Å; I160-I259 HydrophobicContact CG2-CG2 3.92Å; F256-I259 HydrophobicContact CB-CB 3.96Å; F256-I259 HydrophobicContact CB-CG2 4.12Å; F256-I259 HydrophobicContact CD1-CD1 4.35Å; F256-I259 HydrophobicContact CD1-CG2 4.45Å; F256-I259 WeakPolarHBondContact O-CA 3.22Å; F256-I259 WeakPolarHBondContact O-CB 3.46Å; F256-I259 PolarHBondContact O-N 3.27Å; E257-I259 PolarHBondContact O-N 3.17Å; E257-I259 VanDerWaalsContact O-N 3.16Å |
| 260 | M | 93.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -102 | 106.1 | 178.6 | -73.7 | -168.7 | -169.3 | 0 | 0 | 110.8 | F154 M157 N158 Y252 F256 H262 | F154-M260 HydrophobicContact CE2-CE 4.05Å; F154-M260 HydrophobicContact CZ-CE 4.21Å; M157-M260 HydrophobicContact CE-CB 3.82Å; M157-M260 HydrophobicContact CE-CG 4.25Å; M157-M260 HydrophobicContact CE-SD 4.42Å; M157-M260 CarbonylContact O-C 3.47Å; M157-M260 WeakPolarHBondContact O-CA 3.27Å; M157-M260 HydrophobicContact SD-CB 4.22Å; M157-M260 HydrophobicContact SD-CG 4.08Å; M157-M260 HydrophobicContact SD-SD 4.35Å; N158-M260 HydrophobicContact CB-CG 4.37Å; Y252-M260 HydrophobicContact CD1-CE 4.39Å; Y252-M260 HydrophobicContact CD1-SD 4.32Å; F256-M260 HydrophobicContact CB-CB 4.15Å; F256-M260 HydrophobicContact CB-CE 4.37Å; F256-M260 HydrophobicContact CB-CG 3.81Å; F256-M260 HydrophobicContact CB-SD 4.21Å; F256-M260 HydrophobicContact CD2-CE 3.75Å; F256-M260 HydrophobicContact CD2-SD 4.1Å; F256-M260 HydrophobicContact CE2-CE 4.21Å; F256-M260 HydrophobicContact CG-CE 4Å; F256-M260 HydrophobicContact CG-CG 4.44Å; F256-M260 HydrophobicContact CG-SD 4.38Å; F256-M260 PolarHBondContact O-N 3.37Å; M260-H262 PolarHBondContact O-CD2 3.11Å; M260-H262 PolarHBondContact O-N 2.75Å |
| 261 | D | 95.1 | Very high | 93.9 | Very high | 64 Ų | 64 | 50.8 Ų | 50.8 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | trans | -89.2 | 92.7 | 176.4 | -172.5 | -11.6 | 0 | 0 | 0 | 111 | M157 S263 V264 S265 | M157-D261 WeakPolarHBondContact CB-O 3.1Å; M157-D261 PolarHBondContact O-N 3.15Å; D261-S263 PolarHBondContact O-N 3.15Å; D261-S263 VanDerWaalsContact O-N 3.17Å; D261-S263 WeakPolarHBondContact OD1-CA 3.4Å; D261-S263 VanDerWaalsContact OD1-CB 3.24Å; D261-S263 WeakPolarHBondContact OD1-CB 3.49Å; D261-S263 PolarHBondContact OD1-N 2.91Å; D261-S263 PolarHBondContact OD1-OG 2.95Å; D261-S263 PolarHBondContact OD2-OG 2.69Å; D261-V264 HydrophobicContact CB-CB 4.5Å; D261-V264 HydrophobicContact CB-CG2 4.15Å; D261-V264 PolarHBondContact O-N 2.66Å; D261-V264 WeakPolarHBondContact OD2-CG2 2.98Å; D261-S265 PolarHBondContact O-N 3.41Å | ||
| 262 | H | 96.1 | Very high | 94 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 21% | 0.213 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.7 | 179.1 | -68.4 | -97.9 | 0 | 0 | 0 | 113.7 | N251 Y252 M260 S265 F267 | N251-H262 PolarHBondContact O-CE1 3.2Å; Y252-H262 PolarHBondContact O-NE2 3.36Å; M260-H262 PolarHBondContact O-CD2 3.11Å; M260-H262 PolarHBondContact O-N 2.75Å; H262-S265 CarbonylContact O-C 3.41Å; H262-F267 PolarHBondContact ND1-N 3.34Å |
| 263 | S | 95.9 | Very high | 94.1 | Very high | 106 Ų | 106 | 53.5 Ų | 53.5 | 74% | 0.741 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -31.9 | 173.9 | 80.8 | 0 | 0 | 0 | 0 | 112.1 | D261 | D261-S263 PolarHBondContact O-N 3.15Å; D261-S263 VanDerWaalsContact O-N 3.17Å; D261-S263 WeakPolarHBondContact OD1-CA 3.4Å; D261-S263 VanDerWaalsContact OD1-CB 3.24Å; D261-S263 WeakPolarHBondContact OD1-CB 3.49Å; D261-S263 PolarHBondContact OD1-N 2.91Å; D261-S263 PolarHBondContact OD1-OG 2.95Å; D261-S263 PolarHBondContact OD2-OG 2.69Å |
| 264 | V | 96.9 | Very high | 94.4 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -47.7 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | R156 M157 D261 | R156-V264 HydrophobicContact CB-CG1 4.04Å; M157-V264 HydrophobicContact CB-CB 4.34Å; M157-V264 HydrophobicContact CB-CG1 4.4Å; D261-V264 HydrophobicContact CB-CB 4.5Å; D261-V264 HydrophobicContact CB-CG2 4.15Å; D261-V264 PolarHBondContact O-N 2.66Å; D261-V264 WeakPolarHBondContact OD2-CG2 2.98Å |
| 265 | S | 97.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -160.3 | 125.2 | 170.7 | -157.6 | 0 | 0 | 0 | 0 | 109.6 | M157 D261 H262 | M157-S265 VanDerWaalsContact CB-O 3.3Å; M157-S265 WeakPolarHBondContact CB-O 3.49Å; M157-S265 VanDerWaalsContact CE-O 3.22Å; M157-S265 WeakPolarHBondContact CE-O 3.44Å; M157-S265 WeakPolarHBondContact CG-O 3.43Å; D261-S265 PolarHBondContact O-N 3.41Å; H262-S265 CarbonylContact O-C 3.41Å |
| 266 | P | 97.8 | Very high | 95.4 | Very high | 53 Ų | 53 | 45 Ų | 45 | 34% | 0.344 | 26% | 0.258 | S | S | . | . | trans | -68.3 | 143.2 | 177.8 | 26.5 | -33 | 0 | 0 | 0 | 110.5 | M268 R269 | P266-M268 VanDerWaalsContact C-N 3.29Å; P266-M268 PolarHBondContact O-N 3.31Å; P266-R269 PolarHBondContact O-N 3.34Å | ||
| 267 | F | 98.3 | Very high | 96 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -56.1 | -45.7 | 177.4 | -178.8 | -88.6 | 0 | 0 | 0 | 111.7 | T60 F154 M157 Y252 H262 R269 | T60-F267 HydrophobicContact CG2-CE1 4.23Å; T60-F267 WeakPolarHBondContact OG1-CE1 3.27Å; T60-F267 WeakPolarHBondContact OG1-CZ 3.33Å; F154-F267 HydrophobicContact CD2-CD2 4.33Å; F154-F267 HydrophobicContact CD2-CE2 4.47Å; F154-F267 HydrophobicContact CE2-CD2 4.03Å; F154-F267 HydrophobicContact CE2-CE2 4Å; M157-F267 HydrophobicContact CE-CB 4.44Å; Y252-F267 AromaticContact CD2-CD1 3.61Å; Y252-F267 HydrophobicContact CD2-CD1 3.61Å; Y252-F267 AromaticContact CD2-CD2 4Å; Y252-F267 HydrophobicContact CD2-CD2 4Å; Y252-F267 AromaticContact CD2-CE1 3.46Å; Y252-F267 HydrophobicContact CD2-CE1 3.46Å; Y252-F267 VanDerWaalsContact CD2-CE1 3.46Å; Y252-F267 AromaticContact CD2-CE2 3.86Å; Y252-F267 HydrophobicContact CD2-CE2 3.86Å; Y252-F267 AromaticContact CD2-CG 3.88Å; Y252-F267 HydrophobicContact CD2-CG 3.88Å; Y252-F267 AromaticContact CD2-CZ 3.6Å; Y252-F267 HydrophobicContact CD2-CZ 3.6Å; Y252-F267 HydrophobicContact CE2-CD1 4.21Å; Y252-F267 AromaticContact CE2-CE1 3.57Å; Y252-F267 HydrophobicContact CE2-CE1 3.57Å; Y252-F267 AromaticContact CE2-CE2 3.9Å; Y252-F267 HydrophobicContact CE2-CE2 3.9Å; Y252-F267 AromaticContact CE2-CZ 3.39Å; Y252-F267 HydrophobicContact CE2-CZ 3.39Å; Y252-F267 HydrophobicContact CG-CD1 4.45Å; Y252-F267 HydrophobicContact CG-CD2 4.27Å; Y252-F267 HydrophobicContact CG-CE2 4.38Å; Y252-F267 HydrophobicContact CG-CG 4.31Å; H262-F267 PolarHBondContact ND1-N 3.34Å; F267-R269 VanDerWaalsContact C-N 3.32Å; F267-R269 PolarHBondContact O-N 3.33Å; F267-R269 VanDerWaalsContact O-N 3.11Å |
| 268 | M | 98.4 | Very high | 96.6 | Very high | 20 Ų | 20 | 45.9 Ų | 45.9 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -83.2 | 75.4 | 170.4 | -65.1 | -65.4 | -175.5 | 0 | 0 | 110 | T60 F241 M244 K245 A250 N251 P266 | T60-M268 HydrophobicContact CG2-CE 3.84Å; F241-M268 HydrophobicContact CE2-CB 4Å; F241-M268 HydrophobicContact CE2-SD 4.35Å; F241-M268 HydrophobicContact CZ-CB 4.23Å; F241-M268 WeakPolarHBondContact CZ-O 3.43Å; M244-M268 HydrophobicContact CB-CE 4.05Å; M244-M268 HydrophobicContact CE-CE 4.03Å; K245-M268 HydrophobicContact CB-CB 3.88Å; K245-M268 HydrophobicContact CB-CG 4.34Å; K245-M268 HydrophobicContact CD-CB 4.34Å; K245-M268 HydrophobicContact CG-CB 3.82Å; A250-M268 VanDerWaalsContact O-CE 3.28Å; A250-M268 WeakPolarHBondContact O-CE 3.14Å; N251-M268 HydrophobicContact CB-CG 3.84Å; P266-M268 VanDerWaalsContact C-N 3.29Å; P266-M268 PolarHBondContact O-N 3.31Å |
| 269 | R | 98.5 | Very high | 97.2 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | trans | -72 | -75.2 | -170.3 | -164.3 | -176.2 | 62.6 | 87.1 | 7.6 | 114.2 | P266 F267 D275 Y279 | P266-R269 PolarHBondContact O-N 3.34Å; F267-R269 VanDerWaalsContact C-N 3.32Å; F267-R269 PolarHBondContact O-N 3.33Å; F267-R269 VanDerWaalsContact O-N 3.11Å; R269-D275 IonicContact CZ-OD2 2.58Å; R269-D275 IonicContact NH1-OD2 2.87Å; R269-D275 PolarHBondContact NH1-OD2 3.36Å; R269-D275 IonicContact NH2-OD2 2.79Å; R269-D275 PolarHBondContact NH2-OD2 2.95Å; R269-Y279 PolarHBondContact NH1-OH 3.21Å | ||
| 270 | K | 98.1 | Very high | 97.7 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | trans | -128.2 | -35.6 | -178.6 | -62.7 | -163.4 | -167.9 | 169.7 | 0 | 114.9 | F241 V272 D275 | F241-K270 WeakPolarHBondContact CE1-O 3.3Å; F241-K270 VanDerWaalsContact CZ-C 3.47Å; K270-V272 HydrophobicContact CB-CG2 4.16Å; K270-V272 PolarHBondContact O-N 2.95Å; K270-D275 WeakPolarHBondContact CD-OD1 3.47Å; K270-D275 WeakPolarHBondContact CD-OD2 3.35Å; K270-D275 IonicContact NZ-OD1 2.67Å; K270-D275 PolarHBondContact NZ-OD1 3.08Å; K270-D275 IonicContact NZ-OD2 2.69Å; K270-D275 PolarHBondContact NZ-OD2 3.01Å | ||
| 271 | G | 97.4 | Very high | 97.9 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | trans | 64.6 | 34.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y205 K209 | Y205-G271 WeakPolarHBondContact OH-CA 3.31Å; Y205-G271 PolarHBondContact OH-O 2.7Å; K209-G271 VanDerWaalsContact CE-O 3.3Å; K209-G271 WeakPolarHBondContact CE-O 3.47Å; K209-G271 PolarHBondContact NZ-O 2.96Å | ||
| 272 | V | 98.4 | Very high | 98.1 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 35% | 0.352 | 28% | 0.279 | S | S | . | . | trans | -123.3 | 164.2 | -178.1 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | R142 K270 D275 | R142-V272 PolarHBondContact NH2-O 3.2Å; K270-V272 HydrophobicContact CB-CG2 4.16Å; K270-V272 PolarHBondContact O-N 2.95Å; V272-D275 HydrophobicContact CG2-CB 3.88Å | ||
| 273 | V | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 15% | 0.145 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -97.2 | 138.6 | 167.6 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | D146 Y205 E206 K209 L307 | D146-V273 WeakPolarHBondContact OD2-CA 3.43Å; Y205-V273 HydrophobicContact CD1-CG2 4.05Å; Y205-V273 HydrophobicContact CE1-CG2 4.04Å; E206-V273 HydrophobicContact CB-CG2 4.39Å; E206-V273 HydrophobicContact CG-CG1 3.76Å; E206-V273 HydrophobicContact CG-CG2 3.98Å; K209-V273 HydrophobicContact CB-CG2 3.91Å; K209-V273 HydrophobicContact CG-CG2 3.87Å; V273-L307 HydrophobicContact CB-CD1 4.18Å; V273-L307 HydrophobicContact CB-CG 4Å; V273-L307 HydrophobicContact CG1-CG 4.24Å; V273-L307 HydrophobicContact CG2-CD1 3.73Å; V273-L307 HydrophobicContact CG2-CG 3.96Å |
| 274 | G | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | trans | 93.5 | 7.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D146 W276 K277 T305 | D146-G274 PolarHBondContact OD1-N 3.27Å; D146-G274 PolarHBondContact OD2-N 3.13Å; G274-W276 PolarHBondContact O-N 3.28Å; G274-K277 PolarHBondContact O-N 3.45Å; G274-T305 WeakPolarHBondContact CA-O 3.24Å | ||
| 275 | D | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -66.3 | -21.6 | 178.9 | -168.5 | 44.7 | 0 | 0 | 0 | 112.2 | D146 R269 K270 V272 K277 N278 Y279 | D146-D275 PolarHBondContact OD1-N 3.27Å; R269-D275 IonicContact CZ-OD2 2.58Å; R269-D275 IonicContact NH1-OD2 2.87Å; R269-D275 PolarHBondContact NH1-OD2 3.36Å; R269-D275 IonicContact NH2-OD2 2.79Å; R269-D275 PolarHBondContact NH2-OD2 2.95Å; K270-D275 WeakPolarHBondContact CD-OD1 3.47Å; K270-D275 WeakPolarHBondContact CD-OD2 3.35Å; K270-D275 IonicContact NZ-OD1 2.67Å; K270-D275 PolarHBondContact NZ-OD1 3.08Å; K270-D275 IonicContact NZ-OD2 2.69Å; K270-D275 PolarHBondContact NZ-OD2 3.01Å; V272-D275 HydrophobicContact CG2-CB 3.88Å; D275-K277 PolarHBondContact O-N 3.47Å; D275-K277 VanDerWaalsContact O-N 3.1Å; D275-N278 WeakPolarHBondContact O-CB 3.31Å; D275-N278 PolarHBondContact O-N 3.43Å; D275-N278 PolarHBondContact OD1-ND2 2.98Å; D275-Y279 VanDerWaalsContact O-CD2 3.3Å; D275-Y279 WeakPolarHBondContact O-CD2 3.48Å; D275-Y279 WeakPolarHBondContact OD2-CE2 3.33Å |
| 276 | W | 98.8 | Very high | 98.5 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 10% | 0.095 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -50.9 | -30.5 | 173.5 | 70.1 | -92.8 | 0 | 0 | 0 | 114.5 | K145 D146 V149 G274 N278 Y279 F280 N285 T305 | K145-W276 HydrophobicContact CB-CB 3.57Å; K145-W276 HydrophobicContact CB-CD2 3.94Å; K145-W276 HydrophobicContact CB-CE3 4.46Å; K145-W276 HydrophobicContact CB-CG 3.52Å; K145-W276 HydrophobicContact CD-CD2 3.61Å; K145-W276 HydrophobicContact CD-CE3 3.63Å; K145-W276 HydrophobicContact CD-CG 4.15Å; K145-W276 HydrophobicContact CD-CH2 4.2Å; K145-W276 HydrophobicContact CD-CZ2 4.19Å; K145-W276 HydrophobicContact CD-CZ3 3.95Å; K145-W276 HydrophobicContact CG-CD2 4.43Å; K145-W276 HydrophobicContact CG-CG 4.49Å; D146-W276 PolarHBondContact OD1-N 2.84Å; V149-W276 HydrophobicContact CG2-CB 4.2Å; G274-W276 PolarHBondContact O-N 3.28Å; W276-N278 PolarHBondContact O-N 2.69Å; W276-N278 VanDerWaalsContact O-N 3.14Å; W276-Y279 PolarHBondContact O-N 2.89Å; W276-F280 HydrophobicContact CB-CD2 3.95Å; W276-F280 HydrophobicContact CB-CE2 4.01Å; W276-F280 HydrophobicContact CE3-CB 4.2Å; W276-F280 HydrophobicContact CE3-CD2 4.2Å; W276-F280 HydrophobicContact CE3-CG 4.23Å; W276-F280 WeakPolarHBondContact O-CD2 3.4Å; W276-F280 PolarHBondContact O-N 3.09Å; W276-N285 WeakPolarHBondContact CZ3-OD1 3.49Å; W276-T305 PolarHBondContact NE1-O 2.67Å |
| 277 | K | 98.6 | Very high | 98.5 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -61.4 | -22.5 | 176.9 | -64.3 | -178.3 | 179.3 | -177.6 | 0 | 113.5 | G274 D275 Y279 E306 | G274-K277 PolarHBondContact O-N 3.45Å; D275-K277 PolarHBondContact O-N 3.47Å; D275-K277 VanDerWaalsContact O-N 3.1Å; K277-Y279 VanDerWaalsContact C-N 3.3Å; K277-E306 WeakPolarHBondContact CE-OE2 3.47Å; K277-E306 IonicContact NZ-OE2 2.93Å; K277-E306 PolarHBondContact NZ-OE2 3.43Å |
| 278 | N | 98.5 | Very high | 98.5 | Very high | 119 Ų | 119 | 52.2 Ų | 52.2 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -85 | -2 | 178 | -61.4 | -49.5 | 0 | 0 | 0 | 113.4 | D275 W276 | D275-N278 WeakPolarHBondContact O-CB 3.31Å; D275-N278 PolarHBondContact O-N 3.43Å; D275-N278 PolarHBondContact OD1-ND2 2.98Å; W276-N278 PolarHBondContact O-N 2.69Å; W276-N278 VanDerWaalsContact O-N 3.14Å |
| 279 | Y | 98.3 | Very high | 98.6 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 24% | 0.235 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | -42.3 | -172.4 | -68.1 | -95.5 | 0 | 0 | 0 | 112.8 | V149 H153 W167 R269 D275 W276 K277 T281 | V149-Y279 HydrophobicContact CB-CD2 4.45Å; V149-Y279 HydrophobicContact CG1-CD1 4.21Å; V149-Y279 HydrophobicContact CG1-CD2 3.6Å; V149-Y279 HydrophobicContact CG1-CE1 4.16Å; V149-Y279 HydrophobicContact CG1-CE2 3.57Å; V149-Y279 HydrophobicContact CG1-CG 3.93Å; V149-Y279 HydrophobicContact CG2-CD2 3.89Å; V149-Y279 HydrophobicContact CG2-CG 3.84Å; H153-Y279 AromaticContact NE2-CE1 3.14Å; H153-Y279 WeakPolarHBondContact NE2-CE1 3.19Å; H153-Y279 AromaticContact NE2-CZ 3.32Å; H153-Y279 VanDerWaalsContact NE2-CZ 3.32Å; H153-Y279 PolarHBondContact NE2-OH 3Å; W167-Y279 PolarHBondContact NE1-O 2.67Å; R269-Y279 PolarHBondContact NH1-OH 3.21Å; D275-Y279 VanDerWaalsContact O-CD2 3.3Å; D275-Y279 WeakPolarHBondContact O-CD2 3.48Å; D275-Y279 WeakPolarHBondContact OD2-CE2 3.33Å; W276-Y279 PolarHBondContact O-N 2.89Å; K277-Y279 VanDerWaalsContact C-N 3.3Å; Y279-T281 PolarHBondContact O-N 2.79Å |
| 280 | F | 98.6 | Very high | 98.6 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | trans | -71.8 | 127.3 | 179.6 | -78.7 | -110.1 | 0 | 0 | 0 | 109.9 | K145 L148 V149 W167 W276 Q284 N285 F288 | K145-F280 HydrophobicContact CB-CE2 4.07Å; K145-F280 HydrophobicContact CB-CZ 4.11Å; K145-F280 HydrophobicContact CG-CZ 4.16Å; L148-F280 HydrophobicContact CD1-CZ 4.02Å; V149-F280 HydrophobicContact CG2-CD2 4.41Å; V149-F280 HydrophobicContact CG2-CE2 4.06Å; W167-F280 HydrophobicContact CH2-CD2 4.26Å; W167-F280 AromaticContact CH2-CE2 3.86Å; W167-F280 HydrophobicContact CH2-CE2 3.86Å; W167-F280 HydrophobicContact CH2-CZ 4.47Å; W167-F280 AromaticContact CZ2-CD2 3.77Å; W167-F280 HydrophobicContact CZ2-CD2 3.77Å; W167-F280 AromaticContact CZ2-CE2 3.74Å; W167-F280 HydrophobicContact CZ2-CE2 3.74Å; W167-F280 HydrophobicContact CZ2-CG 4.37Å; W167-F280 HydrophobicContact CZ2-CZ 4.32Å; W276-F280 HydrophobicContact CB-CD2 3.95Å; W276-F280 HydrophobicContact CB-CE2 4.01Å; W276-F280 HydrophobicContact CE3-CB 4.2Å; W276-F280 HydrophobicContact CE3-CD2 4.2Å; W276-F280 HydrophobicContact CE3-CG 4.23Å; W276-F280 WeakPolarHBondContact O-CD2 3.4Å; W276-F280 PolarHBondContact O-N 3.09Å; F280-Q284 HydrophobicContact CD1-CB 4.02Å; F280-N285 HydrophobicContact CB-CB 4.35Å; F280-F288 HydrophobicContact CE1-CB 4.1Å; F280-F288 HydrophobicContact CE1-CD2 4.01Å; F280-F288 HydrophobicContact CE1-CG 4.06Å; F280-F288 HydrophobicContact CZ-CD2 4.39Å | ||
| 281 | T | 98.7 | Very high | 98.6 | Very high | 73 Ų | 73 | 56.1 Ų | 56.1 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | trans | -68 | 161.3 | 160.8 | 68.5 | 0 | 0 | 0 | 0 | 109.7 | Y279 A283 Q284 N285 | Y279-T281 PolarHBondContact O-N 2.79Å; T281-A283 VanDerWaalsContact C-N 3.28Å; T281-A283 PolarHBondContact O-N 2.8Å; T281-Q284 PolarHBondContact O-N 3.46Å; T281-Q284 WeakPolarHBondContact OG1-CB 3.07Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.46Å; T281-Q284 PolarHBondContact OG1-N 3.33Å; T281-Q284 VanDerWaalsContact OG1-N 3.17Å; T281-Q284 PolarHBondContact OG1-OE1 3.19Å; T281-N285 WeakPolarHBondContact O-CB 3.41Å; T281-N285 PolarHBondContact O-N 3.44Å | ||
| 282 | V | 98.6 | Very high | 98.7 | Very high | 107 Ų | 107 | 57.9 Ų | 57.9 | 65% | 0.648 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -55.1 | -46.3 | 175.9 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | Q284 N285 E286 | V282-Q284 PolarHBondContact O-N 2.99Å; V282-N285 WeakPolarHBondContact O-CB 3.45Å; V282-N285 PolarHBondContact O-N 3.34Å; V282-N285 VanDerWaalsContact O-N 3.15Å; V282-E286 HydrophobicContact CG1-CG 4.43Å; V282-E286 WeakPolarHBondContact O-CG 3.17Å; V282-E286 PolarHBondContact O-N 3.49Å |
| 283 | A | 98.6 | Very high | 98.7 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 54% | 0.537 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T281 N285 K287 | T281-A283 VanDerWaalsContact C-N 3.28Å; T281-A283 PolarHBondContact O-N 2.8Å; A283-N285 VanDerWaalsContact C-N 3.31Å; A283-N285 PolarHBondContact O-N 3.09Å; A283-K287 WeakPolarHBondContact O-CB 3.43Å; A283-K287 PolarHBondContact O-N 3.37Å; A283-K287 VanDerWaalsContact O-N 3.09Å |
| 284 | Q | 98.7 | Very high | 98.6 | Very high | 25 Ų | 25 | 68.6 Ų | 68.6 | 12% | 0.117 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 173.7 | -76.7 | 169.8 | -19.2 | 0 | 0 | 111.1 | W167 F280 T281 V282 F288 | W167-Q284 VanDerWaalsContact NE1-OE1 3.07Å; F280-Q284 HydrophobicContact CD1-CB 4.02Å; T281-Q284 PolarHBondContact O-N 3.46Å; T281-Q284 WeakPolarHBondContact OG1-CB 3.07Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.46Å; T281-Q284 PolarHBondContact OG1-N 3.33Å; T281-Q284 VanDerWaalsContact OG1-N 3.17Å; T281-Q284 PolarHBondContact OG1-OE1 3.19Å; V282-Q284 PolarHBondContact O-N 2.99Å; Q284-F288 VanDerWaalsContact O-CB 3.23Å; Q284-F288 WeakPolarHBondContact O-CB 3.11Å; Q284-F288 PolarHBondContact O-N 2.66Å |
| 285 | N | 98.8 | Very high | 98.6 | Very high | 32 Ų | 32 | 71.1 Ų | 71.1 | 17% | 0.171 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64 | -48.9 | 179.4 | -175 | 72.8 | 0 | 0 | 0 | 112.2 | K145 W276 F280 T281 V282 A283 K287 F288 D289 | K145-N285 WeakPolarHBondContact CE-OD1 3.34Å; K145-N285 PolarHBondContact NZ-OD1 3.28Å; W276-N285 WeakPolarHBondContact CZ3-OD1 3.49Å; F280-N285 HydrophobicContact CB-CB 4.35Å; T281-N285 WeakPolarHBondContact O-CB 3.41Å; T281-N285 PolarHBondContact O-N 3.44Å; V282-N285 WeakPolarHBondContact O-CB 3.45Å; V282-N285 PolarHBondContact O-N 3.34Å; V282-N285 VanDerWaalsContact O-N 3.15Å; A283-N285 VanDerWaalsContact C-N 3.31Å; A283-N285 PolarHBondContact O-N 3.09Å; N285-K287 PolarHBondContact O-N 3.39Å; N285-F288 PolarHBondContact O-N 3.27Å; N285-D289 PolarHBondContact ND2-OD2 3.49Å; N285-D289 WeakPolarHBondContact O-CB 3.3Å; N285-D289 PolarHBondContact O-N 2.98Å |
| 286 | E | 98.8 | Very high | 98.6 | Very high | 117 Ų | 117 | 71.5 Ų | 71.5 | 55% | 0.547 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.1 | -48.2 | 178.4 | -71.5 | 171.4 | 168.3 | 0 | 0 | 111.2 | V282 F288 D289 E290 | V282-E286 HydrophobicContact CG1-CG 4.43Å; V282-E286 WeakPolarHBondContact O-CG 3.17Å; V282-E286 PolarHBondContact O-N 3.49Å; E286-F288 VanDerWaalsContact C-N 3.33Å; E286-F288 PolarHBondContact O-N 3.29Å; E286-D289 PolarHBondContact O-N 3.47Å; E286-E290 WeakPolarHBondContact O-CG 3.14Å; E286-E290 PolarHBondContact O-N 2.85Å |
| 287 | K | 98.8 | Very high | 98.6 | Very high | 97 Ų | 97 | 75 Ų | 75 | 42% | 0.422 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.2 | -177.7 | -179.9 | 174.2 | -176.9 | 0 | 112.1 | E172 M175 A283 N285 D291 | E172-K287 WeakPolarHBondContact OE1-CE 3.34Å; E172-K287 IonicContact OE1-NZ 3.11Å; E172-K287 PolarHBondContact OE1-NZ 3Å; E172-K287 IonicContact OE2-NZ 3.28Å; E172-K287 PolarHBondContact OE2-NZ 2.85Å; M175-K287 HydrophobicContact CE-CG 4.26Å; A283-K287 WeakPolarHBondContact O-CB 3.43Å; A283-K287 PolarHBondContact O-N 3.37Å; A283-K287 VanDerWaalsContact O-N 3.09Å; N285-K287 PolarHBondContact O-N 3.39Å; K287-D291 PolarHBondContact O-N 2.96Å |
| 288 | F | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 74.1 Ų | 74.1 | 0% | 0.004 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 178.3 | -170.9 | -81.1 | 0 | 0 | 0 | 111.4 | A144 K145 L148 F174 M175 F280 Q284 N285 E286 E290 D291 Y292 | A144-F288 HydrophobicContact CB-CE1 4.01Å; A144-F288 HydrophobicContact CB-CZ 3.6Å; K145-F288 HydrophobicContact CD-CD1 4.36Å; K145-F288 HydrophobicContact CG-CD1 3.88Å; K145-F288 HydrophobicContact CG-CE1 3.7Å; K145-F288 HydrophobicContact CG-CZ 4.3Å; L148-F288 HydrophobicContact CD1-CD2 4.42Å; L148-F288 HydrophobicContact CD1-CE2 3.93Å; F174-F288 HydrophobicContact CD1-CE2 4.3Å; F174-F288 HydrophobicContact CE1-CE2 4.37Å; F174-F288 HydrophobicContact CE1-CZ 4.46Å; M175-F288 HydrophobicContact CG-CD2 3.68Å; M175-F288 HydrophobicContact CG-CE2 3.87Å; M175-F288 HydrophobicContact SD-CB 4.46Å; M175-F288 HydrophobicContact SD-CD2 3.83Å; F280-F288 HydrophobicContact CE1-CB 4.1Å; F280-F288 HydrophobicContact CE1-CD2 4.01Å; F280-F288 HydrophobicContact CE1-CG 4.06Å; F280-F288 HydrophobicContact CZ-CD2 4.39Å; Q284-F288 VanDerWaalsContact O-CB 3.23Å; Q284-F288 WeakPolarHBondContact O-CB 3.11Å; Q284-F288 PolarHBondContact O-N 2.66Å; N285-F288 PolarHBondContact O-N 3.27Å; E286-F288 VanDerWaalsContact C-N 3.33Å; E286-F288 PolarHBondContact O-N 3.29Å; F288-E290 VanDerWaalsContact C-N 3.34Å; F288-E290 PolarHBondContact O-N 3.46Å; F288-D291 PolarHBondContact O-N 3.45Å; F288-Y292 AromaticContact CE1-CD2 3.94Å; F288-Y292 HydrophobicContact CE1-CD2 3.94Å; F288-Y292 HydrophobicContact CE1-CG 4.42Å; F288-Y292 WeakPolarHBondContact O-CB 3.41Å; F288-Y292 PolarHBondContact O-N 2.95Å |
| 289 | D | 98.8 | Very high | 98.4 | Very high | 64 Ų | 64 | 69.8 Ų | 69.8 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -37.4 | -179.1 | -75.9 | -25.7 | 0 | 0 | 0 | 112.2 | K145 N285 E286 K293 | K145-D289 WeakPolarHBondContact CE-OD1 3.16Å; K145-D289 VanDerWaalsContact NZ-CG 3.25Å; K145-D289 IonicContact NZ-OD1 2.7Å; K145-D289 PolarHBondContact NZ-OD1 2.84Å; K145-D289 IonicContact NZ-OD2 2.7Å; K145-D289 PolarHBondContact NZ-OD2 3.02Å; K145-D289 VanDerWaalsContact NZ-OD2 3.1Å; N285-D289 PolarHBondContact ND2-OD2 3.49Å; N285-D289 WeakPolarHBondContact O-CB 3.3Å; N285-D289 PolarHBondContact O-N 2.98Å; E286-D289 PolarHBondContact O-N 3.47Å; D289-K293 VanDerWaalsContact O-CB 3.29Å; D289-K293 WeakPolarHBondContact O-CB 3.45Å; D289-K293 PolarHBondContact O-N 3.38Å |
| 290 | E | 98.7 | Very high | 98.3 | Very high | 122 Ų | 122 | 71.2 Ų | 71.2 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.3 | -45.6 | 173.6 | -73.2 | -175 | -174.9 | 0 | 0 | 113.1 | E286 F288 K294 | E286-E290 WeakPolarHBondContact O-CG 3.14Å; E286-E290 PolarHBondContact O-N 2.85Å; F288-E290 VanDerWaalsContact C-N 3.34Å; F288-E290 PolarHBondContact O-N 3.46Å; E290-K294 WeakPolarHBondContact O-CG 3.32Å; E290-K294 PolarHBondContact O-N 2.9Å |
| 291 | D | 98.7 | Very high | 98.2 | Very high | 32 Ų | 32 | 70.8 Ų | 70.8 | 17% | 0.171 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 176.1 | -178.6 | 66.4 | 0 | 0 | 0 | 111.3 | M175 Y185 K287 F288 K293 K294 K295 | M175-D291 HydrophobicContact CE-CB 3.36Å; Y185-D291 PolarHBondContact OH-OD2 3.12Å; K287-D291 PolarHBondContact O-N 2.96Å; F288-D291 PolarHBondContact O-N 3.45Å; D291-K293 PolarHBondContact O-N 3.46Å; D291-K294 PolarHBondContact O-N 2.85Å; D291-K295 PolarHBondContact O-N 3.24Å; D291-K295 WeakPolarHBondContact OD1-CE 3.31Å; D291-K295 IonicContact OD1-NZ 3.24Å; D291-K295 PolarHBondContact OD1-NZ 3.48Å; D291-K295 IonicContact OD2-NZ 3.1Å; D291-K295 PolarHBondContact OD2-NZ 2.81Å |
| 292 | Y | 98.8 | Very high | 98.1 | Very high | 50 Ų | 50 | 72.9 Ų | 72.9 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 177.8 | -177.7 | -81.5 | 0 | 0 | 0 | 111.2 | A144 W184 Y185 F288 K294 K295 M296 F303 | A144-Y292 HydrophobicContact CB-CD2 4.34Å; A144-Y292 HydrophobicContact CB-CE2 4.21Å; W184-Y292 AromaticContact CH2-CE2 3.65Å; W184-Y292 HydrophobicContact CH2-CE2 3.65Å; W184-Y292 HydrophobicContact CZ3-CD2 4.17Å; W184-Y292 AromaticContact CZ3-CE2 3.5Å; W184-Y292 HydrophobicContact CZ3-CE2 3.5Å; W184-Y292 VanDerWaalsContact CZ3-CE2 3.5Å; Y185-Y292 HydrophobicContact CD1-CD2 4.4Å; Y185-Y292 AromaticContact CE1-CD2 3.7Å; Y185-Y292 HydrophobicContact CE1-CD2 3.7Å; Y185-Y292 HydrophobicContact CE1-CE2 4.44Å; Y185-Y292 HydrophobicContact CE1-CG 4.3Å; F288-Y292 AromaticContact CE1-CD2 3.94Å; F288-Y292 HydrophobicContact CE1-CD2 3.94Å; F288-Y292 HydrophobicContact CE1-CG 4.42Å; F288-Y292 WeakPolarHBondContact O-CB 3.41Å; F288-Y292 PolarHBondContact O-N 2.95Å; Y292-K294 VanDerWaalsContact C-N 3.27Å; Y292-K294 PolarHBondContact O-N 2.98Å; Y292-K295 PolarHBondContact O-N 3.43Å; Y292-M296 HydrophobicContact CD1-CB 4.3Å; Y292-M296 HydrophobicContact CD1-CG 4.09Å; Y292-M296 HydrophobicContact CD2-CG 4.12Å; Y292-M296 HydrophobicContact CE1-CB 3.98Å; Y292-M296 HydrophobicContact CE1-CG 3.81Å; Y292-M296 HydrophobicContact CE2-CG 3.85Å; Y292-M296 HydrophobicContact CG-CG 4.22Å; Y292-M296 VanDerWaalsContact O-CB 3.29Å; Y292-M296 WeakPolarHBondContact O-CB 3.22Å; Y292-M296 WeakPolarHBondContact O-CG 3.45Å; Y292-M296 PolarHBondContact O-N 3.17Å; Y292-F303 WeakPolarHBondContact OH-CD2 3.33Å |
| 293 | K | 98.4 | Very high | 98.1 | Very high | 167 Ų | 167 | 68.8 Ų | 68.8 | 73% | 0.726 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.6 | -40 | 178.4 | -176.2 | 177.4 | 179.7 | 179.6 | 0 | 111.8 | D289 D291 S297 | D289-K293 VanDerWaalsContact O-CB 3.29Å; D289-K293 WeakPolarHBondContact O-CB 3.45Å; D289-K293 PolarHBondContact O-N 3.38Å; D291-K293 PolarHBondContact O-N 3.46Å; K293-S297 WeakPolarHBondContact O-CB 3.38Å; K293-S297 PolarHBondContact O-N 3.41Å |
| 294 | K | 98.3 | Very high | 98.1 | Very high | 140 Ų | 140 | 69.3 Ų | 69.3 | 61% | 0.609 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.6 | -52.1 | 176.4 | -68.9 | 166.1 | -173.2 | 165.9 | 0 | 110.8 | E290 D291 Y292 M296 S297 | E290-K294 WeakPolarHBondContact O-CG 3.32Å; E290-K294 PolarHBondContact O-N 2.9Å; D291-K294 PolarHBondContact O-N 2.85Å; Y292-K294 VanDerWaalsContact C-N 3.27Å; Y292-K294 PolarHBondContact O-N 2.98Å; K294-M296 VanDerWaalsContact C-N 3.34Å; K294-M296 PolarHBondContact O-N 3.34Å; K294-S297 WeakPolarHBondContact O-CB 3.42Å; K294-S297 PolarHBondContact O-N 3.16Å; K294-S297 PolarHBondContact O-OG 3.17Å |
| 295 | K | 98.4 | Very high | 98.1 | Very high | 66 Ų | 66 | 70.4 Ų | 70.4 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.3 | -23.5 | -174.3 | -72.8 | -178.8 | 179 | 150.7 | 0 | 114.7 | M175 Y185 K189 D291 Y292 | M175-K295 PolarHBondContact O-NZ 2.9Å; Y185-K295 HydrophobicContact CD1-CB 3.79Å; Y185-K295 HydrophobicContact CD1-CD 4.18Å; Y185-K295 HydrophobicContact CD2-CB 4.46Å; Y185-K295 HydrophobicContact CD2-CD 3.45Å; Y185-K295 VanDerWaalsContact CD2-CD 3.45Å; Y185-K295 HydrophobicContact CE1-CB 4.13Å; Y185-K295 HydrophobicContact CE1-CD 4.18Å; Y185-K295 HydrophobicContact CE2-CD 3.42Å; Y185-K295 VanDerWaalsContact CE2-CD 3.42Å; Y185-K295 HydrophobicContact CG-CB 3.96Å; Y185-K295 HydrophobicContact CG-CD 3.82Å; K189-K295 PolarHBondContact NZ-O 2.59Å; D291-K295 PolarHBondContact O-N 3.24Å; D291-K295 WeakPolarHBondContact OD1-CE 3.31Å; D291-K295 IonicContact OD1-NZ 3.24Å; D291-K295 PolarHBondContact OD1-NZ 3.48Å; D291-K295 IonicContact OD2-NZ 3.1Å; D291-K295 PolarHBondContact OD2-NZ 2.81Å; Y292-K295 PolarHBondContact O-N 3.43Å |
| 296 | M | 98.5 | Very high | 98 | Very high | 13 Ų | 13 | 74 Ų | 74 | 6% | 0.064 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 7.4 | 179.9 | -60 | -62.8 | -75.1 | 0 | 0 | 113.1 | W184 Y185 V188 K189 Y292 K294 D298 T299 L301 F303 | W184-M296 HydrophobicContact CH2-CE 4.2Å; W184-M296 HydrophobicContact CZ3-CE 4.1Å; W184-M296 HydrophobicContact CZ3-SD 4.02Å; Y185-M296 HydrophobicContact CD1-CG 3.94Å; Y185-M296 HydrophobicContact CD1-SD 3.87Å; Y185-M296 HydrophobicContact CE1-CG 4.48Å; V188-M296 HydrophobicContact CG2-CE 4.02Å; K189-M296 HydrophobicContact CD-SD 3.97Å; K189-M296 HydrophobicContact CG-CE 4.2Å; K189-M296 HydrophobicContact CG-SD 4.06Å; Y292-M296 HydrophobicContact CD1-CB 4.3Å; Y292-M296 HydrophobicContact CD1-CG 4.09Å; Y292-M296 HydrophobicContact CD2-CG 4.12Å; Y292-M296 HydrophobicContact CE1-CB 3.98Å; Y292-M296 HydrophobicContact CE1-CG 3.81Å; Y292-M296 HydrophobicContact CE2-CG 3.85Å; Y292-M296 HydrophobicContact CG-CG 4.22Å; Y292-M296 VanDerWaalsContact O-CB 3.29Å; Y292-M296 WeakPolarHBondContact O-CB 3.22Å; Y292-M296 WeakPolarHBondContact O-CG 3.45Å; Y292-M296 PolarHBondContact O-N 3.17Å; K294-M296 VanDerWaalsContact C-N 3.34Å; K294-M296 PolarHBondContact O-N 3.34Å; M296-D298 PolarHBondContact O-N 3.45Å; M296-T299 HydrophobicContact CB-CG2 4.25Å; M296-T299 HydrophobicContact CE-CG2 3.75Å; M296-T299 VanDerWaalsContact O-CG2 3.28Å; M296-T299 WeakPolarHBondContact O-CG2 3.3Å; M296-T299 PolarHBondContact O-N 2.87Å; M296-T299 HydrophobicContact SD-CG2 4.28Å; M296-L301 HydrophobicContact CE-CB 4.12Å; M296-L301 HydrophobicContact CE-CD1 4.21Å; M296-F303 HydrophobicContact CE-CE2 4.13Å |
| 297 | S | 97.6 | Very high | 97.7 | Very high | 97 Ų | 97 | 74.3 Ų | 74.3 | 68% | 0.678 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22 | -178.2 | 59 | 0 | 0 | 0 | 0 | 114.4 | K293 K294 | K293-S297 WeakPolarHBondContact O-CB 3.38Å; K293-S297 PolarHBondContact O-N 3.41Å; K294-S297 WeakPolarHBondContact O-CB 3.42Å; K294-S297 PolarHBondContact O-N 3.16Å; K294-S297 PolarHBondContact O-OG 3.17Å |
| 298 | D | 96.8 | Very high | 97.7 | Very high | 91 Ų | 91 | 73.2 Ų | 73.2 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 12.5 | -176 | 76.5 | -45.9 | 0 | 0 | 0 | 114 | K189 K193 M296 | K189-D298 WeakPolarHBondContact CD-OD1 3.4Å; K189-D298 IonicContact NZ-OD1 2.83Å; K189-D298 PolarHBondContact NZ-OD1 3.33Å; K189-D298 IonicContact NZ-OD2 3.39Å; K193-D298 IonicContact NZ-OD2 2.68Å; M296-D298 PolarHBondContact O-N 3.45Å |
| 299 | T | 97.3 | Very high | 97.6 | Very high | 29 Ų | 29 | 76.9 Ų | 76.9 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | trans | -133.5 | 152 | -176.2 | -175.9 | 0 | 0 | 0 | 0 | 112.7 | K189 M296 L301 | K189-T299 HydrophobicContact CD-CG2 3.74Å; K189-T299 HydrophobicContact CG-CG2 3.89Å; M296-T299 HydrophobicContact CB-CG2 4.25Å; M296-T299 HydrophobicContact CE-CG2 3.75Å; M296-T299 VanDerWaalsContact O-CG2 3.28Å; M296-T299 WeakPolarHBondContact O-CG2 3.3Å; M296-T299 PolarHBondContact O-N 2.87Å; M296-T299 HydrophobicContact SD-CG2 4.28Å; T299-L301 VanDerWaalsContact C-N 3.25Å; T299-L301 HydrophobicContact CG2-CB 3.93Å; T299-L301 PolarHBondContact OG1-N 2.85Å | ||
| 300 | S | 95.8 | Very high | 97.6 | Very high | 89 Ų | 89 | 77.7 Ų | 77.7 | 62% | 0.622 | 40% | 0.398 | S | S | * | . | trans | -84.3 | 1.5 | 171.4 | 71 | 0 | 0 | 0 | 0 | 113.1 | W192 V302 | W192-S300 PolarHBondContact NE1-OG 3.15Å; W192-S300 VanDerWaalsContact NE1-OG 3.1Å; S300-V302 PolarHBondContact O-N 2.7Å | ||
| 301 | L | 96.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 75.1 Ų | 75.1 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | trans | -65.3 | 126.4 | 178.2 | -84.2 | 172.2 | 0 | 0 | 0 | 110.8 | V188 K189 W192 Y202 F204 M296 T299 F303 | V188-L301 HydrophobicContact CB-CD1 4.25Å; V188-L301 HydrophobicContact CG2-CD1 4.04Å; K189-L301 HydrophobicContact CG-CD1 4.18Å; W192-L301 HydrophobicContact CB-CD1 3.63Å; W192-L301 HydrophobicContact CB-CD2 3.98Å; W192-L301 HydrophobicContact CB-CG 3.84Å; W192-L301 HydrophobicContact CD2-CD1 4.43Å; W192-L301 HydrophobicContact CD2-CD2 3.25Å; W192-L301 HydrophobicContact CD2-CG 3.64Å; W192-L301 HydrophobicContact CE3-CD2 3.29Å; W192-L301 HydrophobicContact CE3-CG 4.2Å; W192-L301 HydrophobicContact CG-CD1 3.85Å; W192-L301 HydrophobicContact CG-CD2 3.59Å; W192-L301 HydrophobicContact CG-CG 3.46Å; W192-L301 VanDerWaalsContact CG-CG 3.46Å; W192-L301 HydrophobicContact CH2-CD2 4.31Å; W192-L301 HydrophobicContact CZ2-CD2 4.3Å; W192-L301 HydrophobicContact CZ3-CD2 3.84Å; Y202-L301 HydrophobicContact CE1-CD2 4.09Å; F204-L301 HydrophobicContact CE1-CD2 4.18Å; F204-L301 HydrophobicContact CZ-CD2 3.99Å; M296-L301 HydrophobicContact CE-CB 4.12Å; M296-L301 HydrophobicContact CE-CD1 4.21Å; T299-L301 VanDerWaalsContact C-N 3.25Å; T299-L301 HydrophobicContact CG2-CB 3.93Å; T299-L301 PolarHBondContact OG1-N 2.85Å; L301-F303 HydrophobicContact CB-CE2 4.12Å; L301-F303 HydrophobicContact CD1-CE2 4.28Å; L301-F303 HydrophobicContact CD2-CE2 4.35Å | ||
| 302 | V | 96.9 | Very high | 97.4 | Very high | 117 Ų | 117 | 77.8 Ų | 77.8 | 71% | 0.709 | 40% | 0.402 | S | S | * | . | trans | -121.9 | 132.6 | 173.5 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | S300 | S300-V302 PolarHBondContact O-N 2.7Š| ||
| 303 | F | 98.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 79.6 Ų | 79.6 | 9% | 0.092 | 42% | 0.415 | C | S | . | . | trans | -117 | 144.6 | 176.7 | -72.4 | -91.8 | 0 | 0 | 0 | 109.6 | A141 N143 W184 V188 F204 Y292 M296 L301 | A141-F303 HydrophobicContact CB-CE1 3.55Å; A141-F303 HydrophobicContact CB-CZ 3.84Å; N143-F303 HydrophobicContact CB-CB 4.11Å; N143-F303 HydrophobicContact CB-CD1 4.47Å; W184-F303 AromaticContact CH2-CD2 3.87Å; W184-F303 HydrophobicContact CH2-CD2 3.87Å; W184-F303 AromaticContact CH2-CE2 3.63Å; W184-F303 HydrophobicContact CH2-CE2 3.63Å; W184-F303 HydrophobicContact CH2-CG 4.43Å; W184-F303 HydrophobicContact CH2-CZ 4.01Å; W184-F303 HydrophobicContact CZ2-CD1 4.39Å; W184-F303 HydrophobicContact CZ2-CD2 4.24Å; W184-F303 HydrophobicContact CZ2-CE1 4.03Å; W184-F303 AromaticContact CZ2-CE2 3.87Å; W184-F303 HydrophobicContact CZ2-CE2 3.87Å; W184-F303 HydrophobicContact CZ2-CG 4.47Å; W184-F303 AromaticContact CZ2-CZ 3.75Å; W184-F303 HydrophobicContact CZ2-CZ 3.75Å; V188-F303 HydrophobicContact CB-CZ 4.11Å; V188-F303 HydrophobicContact CG1-CZ 4.13Å; V188-F303 HydrophobicContact CG2-CE2 4.21Å; V188-F303 HydrophobicContact CG2-CZ 4.21Å; F204-F303 AromaticContact CD1-CD1 3.9Å; F204-F303 HydrophobicContact CD1-CD1 3.9Å; F204-F303 AromaticContact CD1-CE1 3.76Å; F204-F303 HydrophobicContact CD1-CE1 3.76Å; F204-F303 HydrophobicContact CD1-CZ 4.46Å; F204-F303 HydrophobicContact CE1-CD1 4.09Å; F204-F303 AromaticContact CE1-CE1 3.79Å; F204-F303 HydrophobicContact CE1-CE1 3.79Å; F204-F303 HydrophobicContact CE1-CZ 4.05Å; Y292-F303 WeakPolarHBondContact OH-CD2 3.33Å; M296-F303 HydrophobicContact CE-CE2 4.13Å; L301-F303 HydrophobicContact CB-CE2 4.12Å; L301-F303 HydrophobicContact CD1-CE2 4.28Å; L301-F303 HydrophobicContact CD2-CE2 4.35Å | ||
| 304 | R | 98.7 | Very high | 97.3 | Very high | 75 Ų | 75 | 73.4 Ų | 73.4 | 28% | 0.283 | 39% | 0.393 | S | S | . | . | trans | -93.8 | 138 | 170.9 | -61.9 | -176.4 | -71.5 | 169.9 | -7 | 109.1 | N143 E206 D207 E210 | N143-R304 VanDerWaalsContact CB-O 3.3Å; N143-R304 WeakPolarHBondContact CB-O 3.49Å; E206-R304 HydrophobicContact CB-CB 4.27Å; E206-R304 HydrophobicContact CG-CB 4.22Å; E206-R304 WeakPolarHBondContact CG-O 3.45Å; D207-R304 IonicContact OD1-CZ 2.97Å; D207-R304 IonicContact OD1-NE 3.91Å; D207-R304 IonicContact OD1-NH2 3.89Å; D207-R304 PolarHBondContact OD1-NH2 3.36Å; E210-R304 IonicContact OE1-NH1 2.69Å; E210-R304 PolarHBondContact OE1-NH1 2.74Å; E210-R304 IonicContact OE2-CZ 2.78Å; E210-R304 IonicContact OE2-NH1 3.69Å; E210-R304 PolarHBondContact OE2-NH1 2.87Å; E210-R304 IonicContact OE2-NH2 3.52Å; E210-R304 PolarHBondContact OE2-NH2 3.16Å | ||
| 305 | T | 98.1 | Very high | 97.2 | Very high | 49 Ų | 49 | 68.2 Ų | 68.2 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -103.3 | 0.6 | 178.5 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | N143 G274 W276 | N143-T305 HydrophobicContact CB-CG2 4.31Å; G274-T305 WeakPolarHBondContact CA-O 3.24Å; W276-T305 PolarHBondContact NE1-O 2.67Å |
| 306 | E | 96.2 | Very high | 97.1 | Very high | 108 Ų | 108 | 68.4 Ų | 68.4 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | trans | -159 | 164 | 179.7 | 60.1 | -170.9 | -176.9 | 0 | 0 | 109.3 | K277 | K277-E306 WeakPolarHBondContact CE-OE2 3.47Å; K277-E306 IonicContact NZ-OE2 2.93Å; K277-E306 PolarHBondContact NZ-OE2 3.43Å | ||
| 307 | L | 93.4 | Very high | 96.9 | Very high | 122 Ų | 122 | 73.5 Ų | 73.5 | 64% | 0.639 | 41% | 0.413 | S | S | * | . | trans | -123.9 | 0 | 174 | -64.8 | -179.4 | 0 | 0 | 0 | 109.2 | E206 K209 E210 V273 | E206-L307 HydrophobicContact CB-CD2 4.18Å; K209-L307 HydrophobicContact CB-CD1 3.5Å; E210-L307 HydrophobicContact CB-CD1 4.18Å; E210-L307 HydrophobicContact CB-CD2 4.04Å; V273-L307 HydrophobicContact CB-CD1 4.18Å; V273-L307 HydrophobicContact CB-CG 4Å; V273-L307 HydrophobicContact CG1-CG 4.24Å; V273-L307 HydrophobicContact CG2-CD1 3.73Å; V273-L307 HydrophobicContact CG2-CG 3.96Å |
Retrieved 307 of 307 residues in 257.3 ms
(Link to these results)