| 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 | 73.8 | Confident | 83.5 | Confident | 173 Ų | 173 | 75.2 Ų | 75.2 | 85% | 0.852 | 41% | 0.407 | S | S | * | . | 0 | 113.4 | 0 | -178.2 | -177.9 | -76.3 | 0 | 0 | 106.8 | Q26 | M1-Q26 HydrophobicContact CG-CG 3.94Š| |||
| 2 | V | 85.2 | Confident | 82 | Confident | 96 Ų | 96 | 77.5 Ų | 77.5 | 58% | 0.582 | 41% | 0.41 | S | S | * | . | trans | -89.4 | 127.8 | 175 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | K27 | V2-K27 HydrophobicContact CB-CB 4.04Å; V2-K27 HydrophobicContact CB-CD 4.44Å; V2-K27 HydrophobicContact CG1-CB 3.95Å; V2-K27 HydrophobicContact CG1-CD 3.82Å; V2-K27 PolarHBondContact O-N 3.17Å | ||
| 3 | V | 90 | Very high | 80.8 | Confident | 71 Ų | 71 | 83.8 Ų | 83.8 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.4 | 175.5 | 177 | 0 | 0 | 0 | 0 | 107.9 | C24 Y25 L68 | V3-C24 HydrophobicContact CG1-CB 4.09Å; V3-Y25 WeakPolarHBondContact CA-O 3.49Å; V3-L68 HydrophobicContact CB-CD1 4.39Å; V3-L68 HydrophobicContact CG1-CD1 3.87Å; V3-L68 HydrophobicContact CG2-CD1 3.65Å |
| 4 | E | 90.5 | Very high | 79.6 | Confident | 57 Ų | 57 | 89.6 Ų | 89.6 | 27% | 0.266 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136 | 171.2 | -172.3 | 177.1 | 117.3 | 0 | 0 | 108.3 | C24 Y25 K27 H32 | E4-C24 CarbonylContact O-C 3.45Å; E4-C24 WeakPolarHBondContact O-CA 3.42Å; E4-Y25 HydrophobicContact CB-CD2 4.17Å; E4-Y25 HydrophobicContact CB-CE2 3.75Å; E4-Y25 HydrophobicContact CG-CE2 4Å; E4-Y25 PolarHBondContact N-O 3.12Å; E4-Y25 PolarHBondContact O-N 2.89Å; E4-Y25 WeakPolarHBondContact OE1-CE2 3.35Å; E4-Y25 PolarHBondContact OE1-OH 2.94Å; E4-K27 HydrophobicContact CB-CB 4.4Å; E4-H32 IonicContact OE2-CE1 3.53Å |
| 5 | C | 90.6 | Very high | 78.2 | Confident | 71 Ų | 71 | 93.7 Ų | 93.7 | 48% | 0.48 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.4 | 178.8 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | A23 C24 | C5-A23 CarbonylContact C-O 3.56Å; C5-A23 WeakPolarHBondContact CA-O 3.15Å; C5-C24 HydrophobicContact CB-CB 4.16Å; C5-C24 WeakPolarHBondContact CB-SG 3.43Å; C5-C24 WeakPolarHBondContact SG-CB 3.48Å; C5-C24 CovalentContact SG-SG 2.05Å; C5-C24 PolarHBondContact SG-SG 3.28Å |
| 6 | Q | 90.2 | Very high | 77.1 | Confident | 17 Ų | 17 | 95.3 Ų | 95.3 | 8% | 0.079 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.3 | 164.5 | -60.6 | 179.9 | 23.3 | 0 | 0 | 107.9 | I22 A23 Y25 W44 L54 Q55 | Q6-I22 CarbonylContact O-C 3.59Å; Q6-I22 VanDerWaalsContact O-CA 3.28Å; Q6-I22 WeakPolarHBondContact O-CA 3.26Å; Q6-A23 PolarHBondContact N-O 3.17Å; Q6-A23 PolarHBondContact O-N 3.05Å; Q6-Y25 HydrophobicContact CG-CE1 4.48Å; Q6-Y25 PolarHBondContact NE2-OH 2.98Å; Q6-W44 HydrophobicContact CB-CH2 4.31Å; Q6-W44 HydrophobicContact CB-CZ3 4.24Å; Q6-W44 HydrophobicContact CG-CH2 3.96Å; Q6-W44 HydrophobicContact CG-CZ3 4.37Å; Q6-L54 HydrophobicContact CB-CD2 4Å; Q6-Q55 PolarHBondContact NE2-O 3.21Å; Q6-Q55 PolarHBondContact OE1-O 2.57Å |
| 7 | Y | 87.9 | Confident | 76.6 | Confident | 79 Ų | 79 | 91.5 Ų | 91.5 | 31% | 0.31 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.6 | -179.1 | 171.6 | -81.8 | 0 | 0 | 0 | 109.7 | L16 S17 P19 I22 | Y7-L16 HydrophobicContact CD1-CD2 4.16Å; Y7-L16 HydrophobicContact CD2-CD2 4.27Å; Y7-L16 HydrophobicContact CE1-CD2 3.59Å; Y7-L16 HydrophobicContact CE1-CG 4.02Å; Y7-L16 HydrophobicContact CE2-CD2 3.65Å; Y7-L16 HydrophobicContact CG-CD2 4.5Å; Y7-S17 PolarHBondContact OH-O 2.81Å; Y7-P19 HydrophobicContact CD2-CB 4.01Å; Y7-P19 HydrophobicContact CE2-CB 3.45Å; Y7-P19 VanDerWaalsContact CE2-CB 3.45Å; Y7-P19 HydrophobicContact CE2-CG 4.11Å; Y7-I22 HydrophobicContact CD2-CD1 4.24Å |
| 8 | S | 85.5 | Confident | 76.3 | Confident | 35 Ų | 35 | 92.2 Ų | 92.2 | 25% | 0.245 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 138.5 | 166.4 | -171.6 | 0 | 0 | 0 | 0 | 110 | F20 A21 P52 | S8-F20 PolarHBondContact O-N 2.97Å; S8-A21 PolarHBondContact N-O 3.38Å; S8-A21 PolarHBondContact O-N 2.9Å; S8-P52 WeakPolarHBondContact OG-CB 3.16Å; S8-P52 VanDerWaalsContact OG-CG 3.26Å; S8-P52 WeakPolarHBondContact OG-CG 3.09Å |
| 9 | G | 81.3 | Confident | 76.5 | Confident | 24 Ų | 24 | 89.4 Ų | 89.4 | 25% | 0.247 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | 173.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 10 | E | 74.1 | Confident | 77 | Confident | 78 Ų | 78 | 87.3 Ų | 87.3 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 140.5 | 171.1 | -173.9 | -177.5 | -171.7 | 0 | 0 | 109.4 | K12 S17 F20 | E10-K12 VanDerWaalsContact CD-CE 3.45Å; E10-K12 HydrophobicContact CG-CG 4.35Å; E10-K12 WeakPolarHBondContact OE1-CE 3.49Å; E10-K12 WeakPolarHBondContact OE2-CE 3.47Å; E10-K12 IonicContact OE2-NZ 3.85Å; E10-S17 WeakPolarHBondContact CB-OG 3.04Å; E10-S17 VanDerWaalsContact O-CB 3.26Å; E10-S17 WeakPolarHBondContact O-CB 3.35Å; E10-S17 PolarHBondContact O-N 2.84Å; E10-S17 PolarHBondContact O-OG 2.05Å; E10-F20 HydrophobicContact CB-CE1 4.43Å; E10-F20 HydrophobicContact CB-CE2 4.08Å; E10-F20 HydrophobicContact CB-CZ 3.68Å |
| 11 | M | 69 | Low | 77.7 | Confident | 126 Ų | 126 | 83.1 Ų | 83.1 | 62% | 0.621 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 124.8 | 167 | -69 | -176.9 | 66.5 | 0 | 0 | 108 | ||
| 12 | K | 65.7 | Low | 78.6 | Confident | 103 Ų | 103 | 76.2 Ų | 76.2 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.9 | 169.5 | -77.8 | -173.4 | 179.2 | 173.1 | 0 | 108.4 | E10 L14 E15 | E10-K12 VanDerWaalsContact CD-CE 3.45Å; E10-K12 HydrophobicContact CG-CG 4.35Å; E10-K12 WeakPolarHBondContact OE1-CE 3.49Å; E10-K12 WeakPolarHBondContact OE2-CE 3.47Å; E10-K12 IonicContact OE2-NZ 3.85Å; K12-L14 VanDerWaalsContact C-N 3.27Å; K12-L14 PolarHBondContact O-N 2.86Å; K12-E15 PolarHBondContact N-O 2.89Å; K12-E15 VanDerWaalsContact N-O 3.17Å; K12-E15 WeakPolarHBondContact O-CA 3.42Å; K12-E15 PolarHBondContact O-N 2.89Å; K12-E15 VanDerWaalsContact O-O 3.1Å |
| 13 | D | 66.5 | Low | 79 | Confident | 160 Ų | 160 | 71.7 Ų | 71.7 | 86% | 0.856 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 40.8 | 173.7 | -55.2 | -39.4 | 0 | 0 | 0 | 114.5 | E15 | D13-E15 PolarHBondContact O-N 3.43Å; D13-E15 VanDerWaalsContact O-N 3.12Å |
| 14 | L | 63.8 | Low | 79.2 | Confident | 164 Ų | 164 | 69 Ų | 69 | 86% | 0.859 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 1 | -175.9 | -60.7 | 154.3 | 0 | 0 | 0 | 115 | K12 | K12-L14 VanDerWaalsContact C-N 3.27Å; K12-L14 PolarHBondContact O-N 2.86Å |
| 15 | E | 59.1 | Low | 79.4 | Confident | 152 Ų | 152 | 66.4 Ų | 66.4 | 71% | 0.71 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137.6 | 169.4 | -63.7 | -168.2 | 166 | 0 | 0 | 110.3 | K12 D13 S17 | K12-E15 PolarHBondContact N-O 2.89Å; K12-E15 VanDerWaalsContact N-O 3.17Å; K12-E15 WeakPolarHBondContact O-CA 3.42Å; K12-E15 PolarHBondContact O-N 2.89Å; K12-E15 VanDerWaalsContact O-O 3.1Å; D13-E15 PolarHBondContact O-N 3.43Å; D13-E15 VanDerWaalsContact O-N 3.12Å; E15-S17 PolarHBondContact O-N 3.04Å |
| 16 | L | 60 | Low | 79.3 | Confident | 119 Ų | 119 | 67.8 Ų | 67.8 | 62% | 0.623 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 110.7 | 169.3 | -109 | 80.6 | 0 | 0 | 0 | 107.6 | Y7 | Y7-L16 HydrophobicContact CD1-CD2 4.16Å; Y7-L16 HydrophobicContact CD2-CD2 4.27Å; Y7-L16 HydrophobicContact CE1-CD2 3.59Å; Y7-L16 HydrophobicContact CE1-CG 4.02Å; Y7-L16 HydrophobicContact CE2-CD2 3.65Å; Y7-L16 HydrophobicContact CG-CD2 4.5Å |
| 17 | S | 68.5 | Low | 79 | Confident | 31 Ų | 31 | 70.2 Ų | 70.2 | 22% | 0.217 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -174.3 | 169.8 | 86.1 | 0 | 0 | 0 | 0 | 110.2 | Y7 E10 E15 | Y7-S17 PolarHBondContact OH-O 2.81Å; E10-S17 WeakPolarHBondContact CB-OG 3.04Å; E10-S17 VanDerWaalsContact O-CB 3.26Å; E10-S17 WeakPolarHBondContact O-CB 3.35Å; E10-S17 PolarHBondContact O-N 2.84Å; E10-S17 PolarHBondContact O-OG 2.05Å; E15-S17 PolarHBondContact O-N 3.04Å |
| 18 | R | 72.5 | Confident | 78.4 | Confident | 104 Ų | 104 | 75 Ų | 75 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52 | 126.5 | 179.8 | -178.6 | -175.9 | 171 | 138.6 | 26.6 | 111.2 | F20 K71 D87 | R18-F20 PolarHBondContact O-N 2.59Å; R18-K71 VanDerWaalsContact NH2-NZ 3.12Å; R18-D87 IonicContact CZ-OD1 3.39Å; R18-D87 IonicContact CZ-OD2 3.23Å; R18-D87 VanDerWaalsContact CZ-OD2 3.23Å; R18-D87 IonicContact NH1-OD1 3.84Å; R18-D87 IonicContact NH1-OD2 3.09Å; R18-D87 PolarHBondContact NH1-OD2 2.58Å; R18-D87 VanDerWaalsContact NH1-OD2 3.09Å; R18-D87 IonicContact NH2-OD1 2.59Å; R18-D87 PolarHBondContact NH2-OD1 3.09Å; R18-D87 IonicContact NH2-OD2 2.58Å; R18-D87 PolarHBondContact NH2-OD2 3.38Å |
| 19 | P | 78.9 | Confident | 77.5 | Confident | 39 Ų | 39 | 80.6 Ų | 80.6 | 25% | 0.253 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 133.4 | 174.8 | 15.6 | -25 | 0 | 0 | 0 | 111.3 | Y7 I22 | Y7-P19 HydrophobicContact CD2-CB 4.01Å; Y7-P19 HydrophobicContact CE2-CB 3.45Å; Y7-P19 VanDerWaalsContact CE2-CB 3.45Å; Y7-P19 HydrophobicContact CE2-CG 4.11Å; P19-I22 HydrophobicContact CB-CG2 4.44Å |
| 20 | F | 87.1 | Confident | 76.5 | Confident | 46 Ų | 46 | 89.5 Ų | 89.5 | 20% | 0.202 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -39 | 163.6 | -63 | -25.6 | 0 | 0 | 0 | 110.9 | S8 E10 R18 P52 T72 T73 F78 | S8-F20 PolarHBondContact O-N 2.97Å; E10-F20 HydrophobicContact CB-CE1 4.43Å; E10-F20 HydrophobicContact CB-CE2 4.08Å; E10-F20 HydrophobicContact CB-CZ 3.68Å; R18-F20 PolarHBondContact O-N 2.59Å; F20-P52 HydrophobicContact CB-CG 4.02Å; F20-T72 CarbonylContact O-C 3.58Å; F20-T73 WeakPolarHBondContact O-CA 3.49Å; F20-T73 WeakPolarHBondContact O-CB 3.49Å; F20-T73 PolarHBondContact O-N 3.24Å; F20-F78 HydrophobicContact CD1-CZ 4.01Å; F20-F78 HydrophobicContact CE1-CE1 4.2Å; F20-F78 HydrophobicContact CE1-CZ 4.04Å; F20-F78 HydrophobicContact CG-CZ 4.3Å; F20-F78 HydrophobicContact CZ-CE1 4.28Å; F20-F78 HydrophobicContact CZ-CZ 4.36Å |
| 21 | A | 90.9 | Very high | 75.6 | Confident | 0 Ų | 0 | 92.9 Ų | 92.9 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 143 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S8 P52 L54 K71 | S8-A21 PolarHBondContact N-O 3.38Å; S8-A21 PolarHBondContact O-N 2.9Å; A21-P52 HydrophobicContact CB-CG 4.42Å; A21-L54 HydrophobicContact CB-CD1 4.03Å; A21-L54 HydrophobicContact CB-CD2 3.87Å; A21-L54 HydrophobicContact CB-CG 3.83Å; A21-K71 CarbonylContact C-O 3.48Å; A21-K71 VanDerWaalsContact CA-O 3.26Å; A21-K71 WeakPolarHBondContact CA-O 3.26Å |
| 22 | I | 92.9 | Very high | 74.9 | Confident | 29 Ų | 29 | 93.4 Ų | 93.4 | 15% | 0.149 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 134.7 | 174.1 | -176.5 | 167.2 | 0 | 0 | 0 | 110.5 | Q6 Y7 P19 L69 Y70 K71 | Q6-I22 CarbonylContact O-C 3.59Å; Q6-I22 VanDerWaalsContact O-CA 3.28Å; Q6-I22 WeakPolarHBondContact O-CA 3.26Å; Y7-I22 HydrophobicContact CD2-CD1 4.24Å; P19-I22 HydrophobicContact CB-CG2 4.44Å; I22-L69 HydrophobicContact CD1-CD2 3.61Å; I22-L69 HydrophobicContact CG1-CD2 3.89Å; I22-L69 HydrophobicContact CG2-CD2 3.87Å; I22-L69 HydrophobicContact CG2-CG 4.16Å; I22-Y70 WeakPolarHBondContact O-CA 3.17Å; I22-K71 HydrophobicContact CG2-CB 3.87Å; I22-K71 PolarHBondContact N-O 2.84Å; I22-K71 PolarHBondContact O-N 2.72Å; I22-K71 VanDerWaalsContact O-O 3.11Å |
| 23 | A | 94.5 | Very high | 74.5 | Confident | 0 Ų | 0 | 96.1 Ų | 96.1 | 0% | 0 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 130.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | C5 Q6 L54 L56 I67 L69 Y70 | C5-A23 CarbonylContact C-O 3.56Å; C5-A23 WeakPolarHBondContact CA-O 3.15Å; Q6-A23 PolarHBondContact N-O 3.17Å; Q6-A23 PolarHBondContact O-N 3.05Å; A23-L54 HydrophobicContact CB-CD1 3.87Å; A23-L56 HydrophobicContact CB-CD2 3.88Å; A23-I67 HydrophobicContact CB-CD1 4.21Å; A23-L69 CarbonylContact C-O 3.48Å; A23-L69 VanDerWaalsContact CA-O 3.23Å; A23-L69 WeakPolarHBondContact CA-O 3.49Å; A23-Y70 HydrophobicContact CB-CD2 4.23Å |
| 24 | C | 94.3 | Very high | 74.2 | Confident | 14 Ų | 14 | 98 Ų | 98 | 10% | 0.095 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.3 | 170.3 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | V3 E4 C5 I67 L68 L69 | V3-C24 HydrophobicContact CG1-CB 4.09Å; E4-C24 CarbonylContact O-C 3.45Å; E4-C24 WeakPolarHBondContact O-CA 3.42Å; C5-C24 HydrophobicContact CB-CB 4.16Å; C5-C24 WeakPolarHBondContact CB-SG 3.43Å; C5-C24 WeakPolarHBondContact SG-CB 3.48Å; C5-C24 CovalentContact SG-SG 2.05Å; C5-C24 PolarHBondContact SG-SG 3.28Å; C24-I67 WeakPolarHBondContact O-CG1 3.26Å; C24-L68 HydrophobicContact CB-CB 4.41Å; C24-L68 WeakPolarHBondContact O-CA 3.44Å; C24-L68 WeakPolarHBondContact O-CB 3.37Å; C24-L68 PolarHBondContact O-N 3.32Å; C24-L69 HydrophobicContact CB-CB 3.99Å; C24-L69 PolarHBondContact N-O 2.85Å; C24-L69 PolarHBondContact O-N 2.94Å; C24-L69 VanDerWaalsContact O-N 3.16Å |
| 25 | Y | 93.4 | Very high | 74.1 | Confident | 4 Ų | 4 | 92.6 Ų | 92.6 | 2% | 0.016 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 158.7 | -176.2 | 45.8 | -94.8 | 0 | 0 | 0 | 111.4 | V3 E4 Q6 K27 P57 L60 | V3-Y25 WeakPolarHBondContact CA-O 3.49Å; E4-Y25 HydrophobicContact CB-CD2 4.17Å; E4-Y25 HydrophobicContact CB-CE2 3.75Å; E4-Y25 HydrophobicContact CG-CE2 4Å; E4-Y25 PolarHBondContact N-O 3.12Å; E4-Y25 PolarHBondContact O-N 2.89Å; E4-Y25 WeakPolarHBondContact OE1-CE2 3.35Å; E4-Y25 PolarHBondContact OE1-OH 2.94Å; Q6-Y25 HydrophobicContact CG-CE1 4.48Å; Q6-Y25 PolarHBondContact NE2-OH 2.98Å; Y25-K27 PolarHBondContact O-N 3.08Å; Y25-P57 HydrophobicContact CE1-CG 4.46Å; Y25-P57 HydrophobicContact CE2-CG 3.91Å; Y25-L60 HydrophobicContact CD1-CD1 3.45Å; Y25-L60 VanDerWaalsContact CD1-CD1 3.45Å; Y25-L60 HydrophobicContact CD2-CD1 3.58Å; Y25-L60 HydrophobicContact CE1-CD1 4.1Å; Y25-L60 HydrophobicContact CE2-CD1 4.22Å; Y25-L60 HydrophobicContact CG-CD1 3.16Å |
| 26 | Q | 90.1 | Very high | 74.4 | Confident | 100 Ų | 100 | 88.8 Ų | 88.8 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 125.9 | 173.1 | -178.4 | 173 | -12.3 | 0 | 0 | 109 | M1 W28 | M1-Q26 HydrophobicContact CG-CG 3.94Å; Q26-W28 PolarHBondContact O-N 3.38Å |
| 27 | K | 83.5 | Confident | 74.8 | Confident | 68 Ų | 68 | 91 Ų | 91 | 30% | 0.296 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 128.2 | 176.9 | -172.1 | 176.2 | -176.3 | 170.9 | 0 | 109.5 | V2 E4 Y25 H32 | V2-K27 HydrophobicContact CB-CB 4.04Å; V2-K27 HydrophobicContact CB-CD 4.44Å; V2-K27 HydrophobicContact CG1-CB 3.95Å; V2-K27 HydrophobicContact CG1-CD 3.82Å; V2-K27 PolarHBondContact O-N 3.17Å; E4-K27 HydrophobicContact CB-CB 4.4Å; Y25-K27 PolarHBondContact O-N 3.08Å; K27-H32 VanDerWaalsContact CE-CE1 3.47Å; K27-H32 WeakPolarHBondContact CE-CE1 3.49Å; K27-H32 WeakPolarHBondContact CE-NE2 3.2Å; K27-H32 PolarHBondContact NZ-CE1 2.84Å; K27-H32 PolarHBondContact NZ-NE2 2.77Å |
| 28 | W | 74.6 | Confident | 74.6 | Confident | 178 Ų | 178 | 97.4 Ų | 97.4 | 67% | 0.674 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -102.7 | 128 | 171.8 | -171 | -97.5 | 0 | 0 | 0 | 108.6 | Q26 R30 | Q26-W28 PolarHBondContact O-N 3.38Å; W28-R30 PolarHBondContact O-N 2.9Å |
| 29 | D | 66 | Low | 74.4 | Confident | 153 Ų | 153 | 95.5 Ų | 95.5 | 82% | 0.818 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -72.6 | 36.1 | -169.3 | -80.4 | -30.1 | 0 | 0 | 0 | 114.9 | ||
| 30 | R | 60.3 | Low | 74 | Confident | 211 Ų | 211 | 96.6 Ų | 96.6 | 80% | 0.796 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -130.4 | 112.6 | 173.8 | -73.2 | -170.7 | 170 | 178.1 | -3.4 | 112 | W28 | W28-R30 PolarHBondContact O-N 2.9Š|
| 31 | E | 55.1 | Low | 73.2 | Confident | 149 Ų | 149 | 98.8 Ų | 98.8 | 70% | 0.696 | 48% | 0.475 | S | S | * | . | trans | 71.4 | 95.3 | 165.5 | -61.4 | -171.3 | -180 | 0 | 0 | 117.2 | K33 | E31-K33 WeakPolarHBondContact OE2-CE 3.28Å; E31-K33 IonicContact OE2-NZ 3.49Å; E31-K33 PolarHBondContact OE2-NZ 3.26Å | ||
| 32 | H | 54.5 | Low | 72.3 | Confident | 137 Ų | 137 | 106.4 Ų | 106.4 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | trans | -78.1 | 114.5 | 147 | -75.9 | -16.4 | 0 | 0 | 0 | 108.3 | E4 K27 | E4-H32 IonicContact OE2-CE1 3.53Å; K27-H32 VanDerWaalsContact CE-CE1 3.47Å; K27-H32 WeakPolarHBondContact CE-CE1 3.49Å; K27-H32 WeakPolarHBondContact CE-NE2 3.2Å; K27-H32 PolarHBondContact NZ-CE1 2.84Å; K27-H32 PolarHBondContact NZ-NE2 2.77Å | ||
| 33 | K | 58.4 | Low | 71.7 | Confident | 161 Ų | 161 | 109.9 Ų | 109.9 | 70% | 0.7 | 52% | 0.522 | S | S | * | . | trans | -98.8 | 110.4 | 161 | -75.6 | 180 | -176.9 | 167.3 | 0 | 107.6 | E31 T35 | E31-K33 WeakPolarHBondContact OE2-CE 3.28Å; E31-K33 IonicContact OE2-NZ 3.49Å; E31-K33 PolarHBondContact OE2-NZ 3.26Å; K33-T35 PolarHBondContact O-N 3.5Å; K33-T35 PolarHBondContact O-OG1 2.99Å | ||
| 34 | E | 59.5 | Low | 71.3 | Confident | 198 Ų | 198 | 113.5 Ų | 113.5 | 93% | 0.925 | 54% | 0.536 | S | S | * | . | trans | -56.7 | 124.9 | 167.8 | -73.4 | -177.6 | 172.8 | 0 | 0 | 108.5 | ||||
| 35 | T | 62.4 | Low | 71 | Confident | 52 Ų | 52 | 114.8 Ų | 114.8 | 32% | 0.319 | 54% | 0.542 | S | S | . | . | trans | -110.2 | 130.8 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 107.2 | K33 T39 L40 | K33-T35 PolarHBondContact O-N 3.5Å; K33-T35 PolarHBondContact O-OG1 2.99Å; T35-T39 HydrophobicContact CG2-CG2 3.61Å; T35-L40 HydrophobicContact CG2-CD2 3.78Å; T35-L40 HydrophobicContact CG2-CG 4.12Å | ||
| 36 | S | 64.5 | Low | 71 | Confident | 71 Ų | 71 | 114.6 Ų | 114.6 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | trans | -60.5 | 148.9 | -179.8 | 69.4 | 0 | 0 | 0 | 0 | 111.7 | E38 T39 L40 | S36-E38 VanDerWaalsContact C-N 3.32Å; S36-E38 PolarHBondContact O-N 2.78Å; S36-T39 CarbonylContact O-C 3.57Å; S36-T39 WeakPolarHBondContact O-CA 3.32Å; S36-T39 WeakPolarHBondContact O-CB 3.33Å; S36-T39 PolarHBondContact O-N 2.78Å; S36-T39 WeakPolarHBondContact OG-CB 3.46Å; S36-T39 PolarHBondContact OG-OG1 2.88Å; S36-L40 WeakPolarHBondContact O-CG 3.49Å; S36-L40 PolarHBondContact O-N 2.66Å | ||
| 37 | E | 68.7 | Low | 70.9 | Confident | 166 Ų | 166 | 110.9 Ų | 110.9 | 78% | 0.776 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -53.6 | -45.2 | -177.5 | -65.5 | -177.2 | 171.4 | 0 | 0 | 112.9 | T39 L40 C41 | E37-T39 VanDerWaalsContact C-N 3.26Å; E37-T39 PolarHBondContact O-N 2.85Å; E37-L40 WeakPolarHBondContact O-CB 3.23Å; E37-L40 PolarHBondContact O-N 3.42Å; E37-L40 VanDerWaalsContact O-N 3.08Å; E37-C41 PolarHBondContact O-N 2.8Å |
| 38 | E | 64.9 | Low | 71.1 | Confident | 165 Ų | 165 | 111.1 Ų | 111.1 | 77% | 0.771 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.7 | -35.5 | 176.9 | -66 | -174.8 | 165 | 0 | 0 | 112.7 | S36 L40 | S36-E38 VanDerWaalsContact C-N 3.32Å; S36-E38 PolarHBondContact O-N 2.78Å; E38-L40 VanDerWaalsContact C-N 3.35Å |
| 39 | T | 68.3 | Low | 71.7 | Confident | 65 Ų | 65 | 104 Ų | 104 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.4 | -32.5 | 176.7 | -52.9 | 0 | 0 | 0 | 0 | 110.7 | T35 S36 E37 K43 | T35-T39 HydrophobicContact CG2-CG2 3.61Å; S36-T39 CarbonylContact O-C 3.57Å; S36-T39 WeakPolarHBondContact O-CA 3.32Å; S36-T39 WeakPolarHBondContact O-CB 3.33Å; S36-T39 PolarHBondContact O-N 2.78Å; S36-T39 WeakPolarHBondContact OG-CB 3.46Å; S36-T39 PolarHBondContact OG-OG1 2.88Å; E37-T39 VanDerWaalsContact C-N 3.26Å; E37-T39 PolarHBondContact O-N 2.85Å; T39-K43 HydrophobicContact CG2-CB 4.49Å; T39-K43 HydrophobicContact CG2-CD 4.48Å; T39-K43 WeakPolarHBondContact O-CB 3.34Å; T39-K43 PolarHBondContact O-N 3.13Å |
| 40 | L | 69.3 | Low | 72.7 | Confident | 62 Ų | 62 | 104.5 Ų | 104.5 | 33% | 0.325 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -56.3 | 178.7 | -69 | 173.7 | 0 | 0 | 0 | 110.8 | T35 S36 E37 E38 K42 K43 W44 | T35-L40 HydrophobicContact CG2-CD2 3.78Å; T35-L40 HydrophobicContact CG2-CG 4.12Å; S36-L40 WeakPolarHBondContact O-CG 3.49Å; S36-L40 PolarHBondContact O-N 2.66Å; E37-L40 WeakPolarHBondContact O-CB 3.23Å; E37-L40 PolarHBondContact O-N 3.42Å; E37-L40 VanDerWaalsContact O-N 3.08Å; E38-L40 VanDerWaalsContact C-N 3.35Å; L40-K42 PolarHBondContact O-N 2.75Å; L40-K43 PolarHBondContact O-N 3.16Å; L40-W44 HydrophobicContact CD2-CZ2 4.34Å; L40-W44 WeakPolarHBondContact O-CB 3.44Å; L40-W44 VanDerWaalsContact O-CG 3.27Å; L40-W44 PolarHBondContact O-N 3.34Å |
| 41 | C | 70.4 | Confident | 74.1 | Confident | 92 Ų | 92 | 95.6 Ų | 95.6 | 62% | 0.622 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | -174.9 | -64.7 | 0 | 0 | 0 | 0 | 113.2 | E37 N45 | E37-C41 PolarHBondContact O-N 2.8Å; C41-N45 VanDerWaalsContact O-CG 3.27Å; C41-N45 PolarHBondContact O-ND2 3.08Å; C41-N45 PolarHBondContact O-OD1 3.33Å |
| 42 | K | 73.6 | Confident | 75.7 | Confident | 160 Ų | 160 | 89.1 Ų | 89.1 | 70% | 0.696 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70.1 | -44.4 | 179.5 | -72.5 | -177.8 | 179.7 | 176.2 | 0 | 112.1 | L40 W44 N45 | L40-K42 PolarHBondContact O-N 2.75Å; K42-W44 VanDerWaalsContact C-N 3.29Å; K42-W44 PolarHBondContact O-N 3.36Å; K42-N45 PolarHBondContact O-N 3.12Å |
| 43 | K | 78.5 | Confident | 77.6 | Confident | 101 Ų | 101 | 83.8 Ų | 83.8 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.4 | -27.9 | -176.6 | -176.9 | 179.1 | 177 | -176.1 | 0 | 112.4 | T39 L40 N45 Q55 | T39-K43 HydrophobicContact CG2-CB 4.49Å; T39-K43 HydrophobicContact CG2-CD 4.48Å; T39-K43 WeakPolarHBondContact O-CB 3.34Å; T39-K43 PolarHBondContact O-N 3.13Å; L40-K43 PolarHBondContact O-N 3.16Å; K43-N45 VanDerWaalsContact C-N 3.35Å; K43-Q55 PolarHBondContact O-NE2 3.2Å; K43-Q55 VanDerWaalsContact O-NE2 3.13Å |
| 44 | W | 86.3 | Confident | 79.3 | Confident | 77 Ų | 77 | 76.3 Ų | 76.3 | 29% | 0.292 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 11 | -176.6 | -69.6 | 48.3 | 0 | 0 | 0 | 113.1 | Q6 L40 K42 P52 Q53 Q55 | Q6-W44 HydrophobicContact CB-CH2 4.31Å; Q6-W44 HydrophobicContact CB-CZ3 4.24Å; Q6-W44 HydrophobicContact CG-CH2 3.96Å; Q6-W44 HydrophobicContact CG-CZ3 4.37Å; L40-W44 HydrophobicContact CD2-CZ2 4.34Å; L40-W44 WeakPolarHBondContact O-CB 3.44Å; L40-W44 VanDerWaalsContact O-CG 3.27Å; L40-W44 PolarHBondContact O-N 3.34Å; K42-W44 VanDerWaalsContact C-N 3.29Å; K42-W44 PolarHBondContact O-N 3.36Å; W44-P52 CarbonylContact O-C 3.57Å; W44-P52 VanDerWaalsContact O-CA 3.29Å; W44-P52 WeakPolarHBondContact O-CA 3.15Å; W44-Q53 PolarHBondContact O-N 2.73Å; W44-Q55 HydrophobicContact CD2-CG 3.93Å; W44-Q55 HydrophobicContact CG-CG 3.84Å; W44-Q55 HydrophobicContact CZ2-CB 4.39Å; W44-Q55 HydrophobicContact CZ2-CG 4.43Å |
| 45 | N | 89.5 | Confident | 80.7 | Confident | 41 Ų | 41 | 69.5 Ų | 69.5 | 22% | 0.219 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -102.6 | 141.2 | 172.8 | -77 | -7.6 | 0 | 0 | 0 | 110.8 | C41 K42 K43 Q50 L51 | C41-N45 VanDerWaalsContact O-CG 3.27Å; C41-N45 PolarHBondContact O-ND2 3.08Å; C41-N45 PolarHBondContact O-OD1 3.33Å; K42-N45 PolarHBondContact O-N 3.12Å; K43-N45 VanDerWaalsContact C-N 3.35Å; N45-Q50 PolarHBondContact ND2-OE1 3.49Å; N45-Q50 VanDerWaalsContact ND2-OE1 3.08Å; N45-L51 CarbonylContact C-O 3.59Å; N45-L51 WeakPolarHBondContact CA-O 3.07Å |
| 46 | Y | 91.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 134.5 | 169.1 | -176.2 | -101.5 | 0 | 0 | 0 | 109.8 | G48 T49 L51 F103 G107 K108 E193 T195 | Y46-G48 PolarHBondContact O-N 3.44Å; Y46-T49 HydrophobicContact CD1-CG2 3.95Å; Y46-T49 WeakPolarHBondContact O-CB 3.34Å; Y46-T49 PolarHBondContact O-N 2.64Å; Y46-T49 PolarHBondContact O-OG1 3.44Å; Y46-L51 PolarHBondContact N-O 3.46Å; Y46-F103 HydrophobicContact CD1-CD1 4.41Å; Y46-F103 AromaticContact CD1-CE1 3.92Å; Y46-F103 HydrophobicContact CD1-CE1 3.92Å; Y46-F103 HydrophobicContact CD1-CE2 4.24Å; Y46-F103 AromaticContact CD1-CZ 3.82Å; Y46-F103 HydrophobicContact CD1-CZ 3.82Å; Y46-F103 HydrophobicContact CD2-CB 3.99Å; Y46-F103 AromaticContact CD2-CD1 3.58Å; Y46-F103 HydrophobicContact CD2-CD1 3.58Å; Y46-F103 AromaticContact CD2-CD2 3.84Å; Y46-F103 HydrophobicContact CD2-CD2 3.84Å; Y46-F103 AromaticContact CD2-CE1 3.94Å; Y46-F103 HydrophobicContact CD2-CE1 3.94Å; Y46-F103 HydrophobicContact CD2-CE2 4.14Å; Y46-F103 AromaticContact CD2-CG 3.53Å; Y46-F103 HydrophobicContact CD2-CG 3.53Å; Y46-F103 HydrophobicContact CD2-CZ 4.21Å; Y46-F103 HydrophobicContact CE1-CE1 4.18Å; Y46-F103 AromaticContact CE2-CD1 3.82Å; Y46-F103 HydrophobicContact CE2-CD1 3.82Å; Y46-F103 HydrophobicContact CE2-CE1 4.21Å; Y46-F103 HydrophobicContact CE2-CG 4.16Å; Y46-F103 AromaticContact CG-CD1 3.92Å; Y46-F103 HydrophobicContact CG-CD1 3.92Å; Y46-F103 AromaticContact CG-CD2 3.79Å; Y46-F103 HydrophobicContact CG-CD2 3.79Å; Y46-F103 AromaticContact CG-CE1 3.8Å; Y46-F103 HydrophobicContact CG-CE1 3.8Å; Y46-F103 AromaticContact CG-CE2 3.64Å; Y46-F103 HydrophobicContact CG-CE2 3.64Å; Y46-F103 AromaticContact CG-CG 3.91Å; Y46-F103 HydrophobicContact CG-CG 3.91Å; Y46-F103 AromaticContact CG-CZ 3.66Å; Y46-F103 HydrophobicContact CG-CZ 3.66Å; Y46-G107 WeakPolarHBondContact OH-CA 3.39Å; Y46-K108 HydrophobicContact CE1-CB 4.31Å; Y46-K108 HydrophobicContact CE1-CG 4.1Å; Y46-K108 PolarHBondContact OH-N 2.72Å; Y46-E193 WeakPolarHBondContact OH-CA 3.42Å; Y46-E193 PolarHBondContact OH-O 2.89Å; Y46-T195 HydrophobicContact CE2-CG2 3.73Å |
| 47 | P | 89 | Confident | 83.3 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 14% | 0.143 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 123.2 | -164.2 | -32.7 | 36.4 | 0 | 0 | 0 | 115.4 | T49 K108 K192 | P47-T49 VanDerWaalsContact C-N 3.29Å; P47-T49 PolarHBondContact O-N 3.23Å; P47-K108 WeakPolarHBondContact O-CD 3.47Å; P47-K108 WeakPolarHBondContact O-CE 3.26Å; P47-K108 PolarHBondContact O-NZ 2.82Å; P47-K192 WeakPolarHBondContact CD-O 3.26Å; P47-K192 HydrophobicContact CG-CB 3.55Å; P47-K192 WeakPolarHBondContact CG-O 3.35Å |
| 48 | G | 86.8 | Confident | 84.2 | Confident | 72 Ų | 72 | 65.1 Ų | 65.1 | 74% | 0.742 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 33.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y46 K108 | Y46-G48 PolarHBondContact O-N 3.44Å; G48-K108 PolarHBondContact O-NZ 3.22Å |
| 49 | T | 88.4 | Confident | 85.4 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 17% | 0.172 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -135.7 | 170.9 | 169.8 | 78.9 | 0 | 0 | 0 | 0 | 108.8 | Y46 P47 L51 L75 | Y46-T49 HydrophobicContact CD1-CG2 3.95Å; Y46-T49 WeakPolarHBondContact O-CB 3.34Å; Y46-T49 PolarHBondContact O-N 2.64Å; Y46-T49 PolarHBondContact O-OG1 3.44Å; P47-T49 VanDerWaalsContact C-N 3.29Å; P47-T49 PolarHBondContact O-N 3.23Å; T49-L51 PolarHBondContact OG1-N 3.37Å; T49-L75 HydrophobicContact CG2-CD2 4.1Å |
| 50 | Q | 86.1 | Confident | 86.5 | Confident | 165 Ų | 165 | 58.9 Ų | 58.9 | 77% | 0.771 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -99.8 | 9.2 | 170 | -60.6 | -64 | -6.6 | 0 | 0 | 112.3 | N45 | N45-Q50 PolarHBondContact ND2-OE1 3.49Å; N45-Q50 VanDerWaalsContact ND2-OE1 3.08Å |
| 51 | L | 89.2 | Confident | 87.7 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -83.2 | 138.4 | -178.1 | -66.8 | -175.8 | 0 | 0 | 0 | 110.4 | N45 Y46 T49 T73 L75 F78 F103 | N45-L51 CarbonylContact C-O 3.59Å; N45-L51 WeakPolarHBondContact CA-O 3.07Å; Y46-L51 PolarHBondContact N-O 3.46Å; T49-L51 PolarHBondContact OG1-N 3.37Å; L51-T73 HydrophobicContact CB-CG2 4.01Å; L51-L75 HydrophobicContact CD1-CD2 3.57Å; L51-L75 HydrophobicContact CD1-CG 4.29Å; L51-F78 HydrophobicContact CD1-CD2 3.86Å; L51-F78 HydrophobicContact CD1-CE2 4.12Å; L51-F78 HydrophobicContact CD2-CD1 4.46Å; L51-F78 HydrophobicContact CD2-CD2 3.89Å; L51-F78 HydrophobicContact CD2-CE1 4.25Å; L51-F78 HydrophobicContact CD2-CE2 3.67Å; L51-F78 HydrophobicContact CD2-CG 4.29Å; L51-F78 HydrophobicContact CD2-CZ 3.86Å; L51-F103 HydrophobicContact CB-CE2 3.9Å; L51-F103 HydrophobicContact CB-CZ 4.38Å; L51-F103 HydrophobicContact CD1-CE2 4.47Å; L51-F103 HydrophobicContact CD1-CZ 4.2Å |
| 52 | P | 90.4 | Very high | 88.9 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 8% | 0.078 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 131.2 | -174.1 | 29.8 | -37.3 | 0 | 0 | 0 | 112.9 | S8 F20 A21 W44 T73 | S8-P52 WeakPolarHBondContact OG-CB 3.16Å; S8-P52 VanDerWaalsContact OG-CG 3.26Å; S8-P52 WeakPolarHBondContact OG-CG 3.09Å; F20-P52 HydrophobicContact CB-CG 4.02Å; A21-P52 HydrophobicContact CB-CG 4.42Å; W44-P52 CarbonylContact O-C 3.57Å; W44-P52 VanDerWaalsContact O-CA 3.29Å; W44-P52 WeakPolarHBondContact O-CA 3.15Å; P52-T73 HydrophobicContact CG-CG2 4.11Å; P52-T73 WeakPolarHBondContact O-CG2 3.1Å |
| 53 | Q | 93.4 | Very high | 89.8 | Confident | 25 Ų | 25 | 49 Ų | 49 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | trans | -110.9 | 118.6 | 169.9 | 177.5 | 169.4 | 24.5 | 0 | 0 | 110 | W44 Q55 T101 F103 | W44-Q53 PolarHBondContact O-N 2.73Å; Q53-Q55 PolarHBondContact O-NE2 3.13Å; Q53-T101 WeakPolarHBondContact CG-O 3.29Å; Q53-T101 PolarHBondContact NE2-O 2.86Å; Q53-F103 HydrophobicContact CB-CB 4.47Å; Q53-F103 HydrophobicContact CB-CD2 4.26Å; Q53-F103 HydrophobicContact CG-CB 4.08Å | ||
| 54 | L | 93.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | trans | -62.9 | 138.4 | -179.7 | -61.3 | 167.9 | 0 | 0 | 0 | 110.9 | Q6 A21 A23 L56 Y70 T72 G102 | Q6-L54 HydrophobicContact CB-CD2 4Å; A21-L54 HydrophobicContact CB-CD1 4.03Å; A21-L54 HydrophobicContact CB-CD2 3.87Å; A21-L54 HydrophobicContact CB-CG 3.83Å; A23-L54 HydrophobicContact CB-CD1 3.87Å; L54-L56 PolarHBondContact O-N 3.25Å; L54-Y70 HydrophobicContact CD1-CD2 4.31Å; L54-Y70 HydrophobicContact CD1-CE2 4.06Å; L54-T72 HydrophobicContact CD1-CG2 4.21Å; L54-G102 PolarHBondContact N-O 2.84Å; L54-G102 VanDerWaalsContact N-O 3.07Å | ||
| 55 | Q | 90.6 | Very high | 90.8 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | trans | -100 | 82.3 | -178.6 | -64.2 | -59.3 | -62.3 | 0 | 0 | 110.1 | Q6 K43 W44 Q53 | Q6-Q55 PolarHBondContact NE2-O 3.21Å; Q6-Q55 PolarHBondContact OE1-O 2.57Å; K43-Q55 PolarHBondContact O-NE2 3.2Å; K43-Q55 VanDerWaalsContact O-NE2 3.13Å; W44-Q55 HydrophobicContact CD2-CG 3.93Å; W44-Q55 HydrophobicContact CG-CG 3.84Å; W44-Q55 HydrophobicContact CZ2-CB 4.39Å; W44-Q55 HydrophobicContact CZ2-CG 4.43Å; Q53-Q55 PolarHBondContact O-NE2 3.13Å | ||
| 56 | L | 90.8 | Very high | 91 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | trans | -69.5 | 133.5 | -177.8 | -61.4 | 179.3 | 0 | 0 | 0 | 111.9 | A23 L54 L60 K61 I67 Y70 R100 | A23-L56 HydrophobicContact CB-CD2 3.88Å; L54-L56 PolarHBondContact O-N 3.25Å; L56-L60 HydrophobicContact CB-CB 4.46Å; L56-K61 HydrophobicContact CB-CG 4.42Å; L56-I67 HydrophobicContact CD2-CD1 4.05Å; L56-Y70 HydrophobicContact CD1-CE2 3.76Å; L56-Y70 HydrophobicContact CD2-CD2 4.45Å; L56-Y70 HydrophobicContact CD2-CE2 4.18Å; L56-Y70 HydrophobicContact CG-CE2 4.37Å; L56-R100 HydrophobicContact CD1-CB 3.4Å; L56-R100 HydrophobicContact CD1-CG 4.46Å | ||
| 57 | P | 89.4 | Confident | 91.1 | Very high | 38 Ų | 38 | 54 Ų | 54 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | trans | -50.9 | 149.4 | 164.7 | -26.8 | 33.3 | 0 | 0 | 0 | 112.1 | Y25 H59 L60 K61 | Y25-P57 HydrophobicContact CE1-CG 4.46Å; Y25-P57 HydrophobicContact CE2-CG 3.91Å; P57-H59 VanDerWaalsContact C-N 3.29Å; P57-H59 VanDerWaalsContact CB-CE1 3.45Å; P57-H59 WeakPolarHBondContact CB-CE1 2.91Å; P57-H59 WeakPolarHBondContact CB-ND1 3.39Å; P57-H59 PolarHBondContact O-N 2.99Å; P57-L60 HydrophobicContact CB-CD1 4.44Å; P57-L60 HydrophobicContact CG-CD1 4.13Å; P57-L60 WeakPolarHBondContact O-CA 3.47Å; P57-L60 PolarHBondContact O-N 3.18Å; P57-K61 PolarHBondContact O-N 3.43Å | ||
| 58 | E | 88.6 | Confident | 91.4 | Very high | 145 Ų | 145 | 57.2 Ų | 57.2 | 68% | 0.678 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -56.4 | -40.8 | -173.1 | -159.4 | 176.9 | -167.5 | 0 | 0 | 113.2 | L60 K61 Y251 | E58-L60 PolarHBondContact O-N 3.07Å; E58-K61 WeakPolarHBondContact O-CB 3.41Å; E58-K61 PolarHBondContact O-N 3.47Å; E58-Y251 HydrophobicContact CG-CD1 4.32Å; E58-Y251 HydrophobicContact CG-CE1 3.88Å |
| 59 | H | 88.7 | Confident | 91.7 | Very high | 93 Ų | 93 | 57.6 Ų | 57.6 | 43% | 0.431 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.9 | -17.4 | 177.3 | 70.4 | -82.5 | 0 | 0 | 0 | 114.4 | P57 S65 | P57-H59 VanDerWaalsContact C-N 3.29Å; P57-H59 VanDerWaalsContact CB-CE1 3.45Å; P57-H59 WeakPolarHBondContact CB-CE1 2.91Å; P57-H59 WeakPolarHBondContact CB-ND1 3.39Å; P57-H59 PolarHBondContact O-N 2.99Å; H59-S65 VanDerWaalsContact O-CB 3.26Å; H59-S65 WeakPolarHBondContact O-CB 3.19Å |
| 60 | L | 93.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -99.2 | -7.6 | 178.8 | -63.6 | 178.1 | 0 | 0 | 0 | 113.6 | Y25 L56 P57 E58 S62 S65 R100 | Y25-L60 HydrophobicContact CD1-CD1 3.45Å; Y25-L60 VanDerWaalsContact CD1-CD1 3.45Å; Y25-L60 HydrophobicContact CD2-CD1 3.58Å; Y25-L60 HydrophobicContact CE1-CD1 4.1Å; Y25-L60 HydrophobicContact CE2-CD1 4.22Å; Y25-L60 HydrophobicContact CG-CD1 3.16Å; L56-L60 HydrophobicContact CB-CB 4.46Å; P57-L60 HydrophobicContact CB-CD1 4.44Å; P57-L60 HydrophobicContact CG-CD1 4.13Å; P57-L60 WeakPolarHBondContact O-CA 3.47Å; P57-L60 PolarHBondContact O-N 3.18Å; E58-L60 PolarHBondContact O-N 3.07Å; L60-S62 VanDerWaalsContact C-N 3.3Å; L60-S62 PolarHBondContact O-N 3.39Å; L60-S65 WeakPolarHBondContact CA-OG 3.45Å; L60-S65 PolarHBondContact O-OG 3.29Å; L60-R100 PolarHBondContact O-NH1 3.2Å |
| 61 | K | 93.7 | Very high | 92.4 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.7 | -32.9 | 176.5 | -71.1 | -170 | 171.1 | -161.9 | 0 | 112.1 | L56 P57 E58 P63 E99 R100 Y251 | L56-K61 HydrophobicContact CB-CG 4.42Å; P57-K61 PolarHBondContact O-N 3.43Å; E58-K61 WeakPolarHBondContact O-CB 3.41Å; E58-K61 PolarHBondContact O-N 3.47Å; K61-P63 WeakPolarHBondContact O-CD 3Å; K61-E99 HydrophobicContact CB-CB 4.45Å; K61-E99 IonicContact NZ-OE2 3.69Å; K61-E99 CarbonylContact O-C 3.53Å; K61-E99 WeakPolarHBondContact O-CA 3.5Å; K61-R100 PolarHBondContact O-N 2.7Å; K61-Y251 HydrophobicContact CB-CD1 3.9Å; K61-Y251 HydrophobicContact CB-CD2 4.17Å; K61-Y251 HydrophobicContact CB-CE1 4.35Å; K61-Y251 HydrophobicContact CB-CG 3.79Å; K61-Y251 HydrophobicContact CD-CD1 4.04Å; K61-Y251 HydrophobicContact CD-CD2 4.31Å; K61-Y251 HydrophobicContact CD-CE1 3.61Å; K61-Y251 HydrophobicContact CD-CE2 3.9Å; K61-Y251 HydrophobicContact CD-CG 4.35Å; K61-Y251 PolarHBondContact NZ-OH 3.49Å |
| 62 | S | 94.6 | Very high | 92.6 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -56.9 | 128.3 | 174 | -178.5 | 0 | 0 | 0 | 0 | 111 | L60 H64 S65 R100 Y251 K252 | L60-S62 VanDerWaalsContact C-N 3.3Å; L60-S62 PolarHBondContact O-N 3.39Å; S62-H64 PolarHBondContact O-N 3.45Å; S62-H64 PolarHBondContact OG-N 3.2Å; S62-S65 PolarHBondContact O-N 3Å; S62-S65 PolarHBondContact O-OG 3.42Å; S62-R100 PolarHBondContact O-NH1 3.07Å; S62-Y251 WeakPolarHBondContact CA-O 3.17Å; S62-Y251 WeakPolarHBondContact CB-O 3.08Å; S62-Y251 PolarHBondContact OG-O 3.3Å; S62-K252 PolarHBondContact OG-OXT 2.82Å |
| 63 | P | 93.3 | Very high | 92.7 | Very high | 37 Ų | 37 | 54 Ų | 54 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16.2 | 171.8 | -24.5 | 37.1 | 0 | 0 | 0 | 113.6 | K61 N96 R100 | K61-P63 WeakPolarHBondContact O-CD 3Å; P63-N96 WeakPolarHBondContact CG-O 3.17Å; P63-R100 PolarHBondContact O-NH2 2.77Å |
| 64 | H | 93.1 | Very high | 92.7 | Very high | 144 Ų | 144 | 53.4 Ų | 53.4 | 67% | 0.667 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -11.6 | 178.4 | -56.5 | -62.4 | 0 | 0 | 0 | 113.9 | S62 | S62-H64 PolarHBondContact O-N 3.45Å; S62-H64 PolarHBondContact OG-N 3.2Å |
| 65 | S | 93.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -71.8 | 147.1 | 177 | 62.8 | 0 | 0 | 0 | 0 | 111.4 | H59 L60 S62 I67 R100 | H59-S65 VanDerWaalsContact O-CB 3.26Å; H59-S65 WeakPolarHBondContact O-CB 3.19Å; L60-S65 WeakPolarHBondContact CA-OG 3.45Å; L60-S65 PolarHBondContact O-OG 3.29Å; S62-S65 PolarHBondContact O-N 3Å; S62-S65 PolarHBondContact O-OG 3.42Å; S65-I67 PolarHBondContact O-N 2.98Å; S65-R100 PolarHBondContact O-NH1 3.06Å; S65-R100 VanDerWaalsContact O-NH1 3.12Å; S65-R100 PolarHBondContact O-NH2 2.8Å; S65-R100 PolarHBondContact OG-NH1 3.48Å |
| 66 | N | 93.3 | Very high | 92.6 | Very high | 133 Ų | 133 | 55.1 Ų | 55.1 | 71% | 0.711 | 28% | 0.277 | S | S | * | . | trans | -75.8 | 123.3 | 178.2 | -176.6 | 45.2 | 0 | 0 | 0 | 111.1 | ||||
| 67 | I | 94 | Very high | 92.3 | Very high | 24 Ų | 24 | 55 Ų | 55 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | trans | -128.1 | 132.4 | 174.5 | -169.7 | 160.9 | 0 | 0 | 0 | 108.1 | A23 C24 L56 S65 Y70 | A23-I67 HydrophobicContact CB-CD1 4.21Å; C24-I67 WeakPolarHBondContact O-CG1 3.26Å; L56-I67 HydrophobicContact CD2-CD1 4.05Å; S65-I67 PolarHBondContact O-N 2.98Å; I67-Y70 HydrophobicContact CD1-CD2 3.87Å; I67-Y70 HydrophobicContact CD1-CG 4.21Å | ||
| 68 | L | 94.5 | Very high | 91.8 | Very high | 88 Ų | 88 | 56.3 Ų | 56.3 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -71.9 | -37.6 | -171 | -60.3 | 172.6 | 0 | 0 | 0 | 111.8 | V3 C24 | V3-L68 HydrophobicContact CB-CD1 4.39Å; V3-L68 HydrophobicContact CG1-CD1 3.87Å; V3-L68 HydrophobicContact CG2-CD1 3.65Å; C24-L68 HydrophobicContact CB-CB 4.41Å; C24-L68 WeakPolarHBondContact O-CA 3.44Å; C24-L68 WeakPolarHBondContact O-CB 3.37Å; C24-L68 PolarHBondContact O-N 3.32Å |
| 69 | L | 94.4 | Very high | 90.6 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 42% | 0.424 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 134.5 | 175.5 | 178.4 | 61.4 | 0 | 0 | 0 | 108.6 | I22 A23 C24 | I22-L69 HydrophobicContact CD1-CD2 3.61Å; I22-L69 HydrophobicContact CG1-CD2 3.89Å; I22-L69 HydrophobicContact CG2-CD2 3.87Å; I22-L69 HydrophobicContact CG2-CG 4.16Å; A23-L69 CarbonylContact C-O 3.48Å; A23-L69 VanDerWaalsContact CA-O 3.23Å; A23-L69 WeakPolarHBondContact CA-O 3.49Å; C24-L69 HydrophobicContact CB-CB 3.99Å; C24-L69 PolarHBondContact N-O 2.85Å; C24-L69 PolarHBondContact O-N 2.94Å; C24-L69 VanDerWaalsContact O-N 3.16Å |
| 70 | Y | 94.9 | Very high | 88.9 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 22% | 0.216 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 109.4 | 176.8 | -175.4 | -115.4 | 0 | 0 | 0 | 110.2 | I22 A23 L54 L56 I67 T72 R100 G102 D196 | I22-Y70 WeakPolarHBondContact O-CA 3.17Å; A23-Y70 HydrophobicContact CB-CD2 4.23Å; L54-Y70 HydrophobicContact CD1-CD2 4.31Å; L54-Y70 HydrophobicContact CD1-CE2 4.06Å; L56-Y70 HydrophobicContact CD1-CE2 3.76Å; L56-Y70 HydrophobicContact CD2-CD2 4.45Å; L56-Y70 HydrophobicContact CD2-CE2 4.18Å; L56-Y70 HydrophobicContact CG-CE2 4.37Å; I67-Y70 HydrophobicContact CD1-CD2 3.87Å; I67-Y70 HydrophobicContact CD1-CG 4.21Å; Y70-T72 HydrophobicContact CD2-CG2 4.41Å; Y70-T72 HydrophobicContact CE1-CG2 3.78Å; Y70-T72 HydrophobicContact CE2-CG2 3.61Å; Y70-T72 WeakPolarHBondContact OH-CG2 3.32Å; Y70-R100 HydrophobicContact CE1-CB 4.33Å; Y70-R100 HydrophobicContact CE1-CG 4.21Å; Y70-G102 VanDerWaalsContact OH-CA 3.24Å; Y70-G102 WeakPolarHBondContact OH-CA 3.34Å; Y70-G102 PolarHBondContact OH-N 3.37Å; Y70-D196 WeakPolarHBondContact CE1-OD2 3.36Å; Y70-D196 VanDerWaalsContact CZ-OD2 3.31Å; Y70-D196 PolarHBondContact OH-OD1 3.21Å; Y70-D196 PolarHBondContact OH-OD2 2.86Å |
| 71 | K | 93.1 | Very high | 86.8 | Confident | 75 Ų | 75 | 64.1 Ų | 64.1 | 33% | 0.326 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.8 | 173.8 | 179.8 | 177.4 | -178 | 175.7 | 0 | 107.9 | R18 A21 I22 | R18-K71 VanDerWaalsContact NH2-NZ 3.12Å; A21-K71 CarbonylContact C-O 3.48Å; A21-K71 VanDerWaalsContact CA-O 3.26Å; A21-K71 WeakPolarHBondContact CA-O 3.26Å; I22-K71 HydrophobicContact CG2-CB 3.87Å; I22-K71 PolarHBondContact N-O 2.84Å; I22-K71 PolarHBondContact O-N 2.72Å; I22-K71 VanDerWaalsContact O-O 3.11Å |
| 72 | T | 94 | Very high | 84.7 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 10% | 0.104 | 36% | 0.356 | C | S | . | . | trans | -107.1 | 161 | -176.9 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | F20 L54 Y70 S104 | F20-T72 CarbonylContact O-C 3.58Å; L54-T72 HydrophobicContact CD1-CG2 4.21Å; Y70-T72 HydrophobicContact CD2-CG2 4.41Å; Y70-T72 HydrophobicContact CE1-CG2 3.78Å; Y70-T72 HydrophobicContact CE2-CG2 3.61Å; Y70-T72 WeakPolarHBondContact OH-CG2 3.32Å; T72-S104 WeakPolarHBondContact OG1-CB 3.38Å; T72-S104 PolarHBondContact OG1-N 3Å; T72-S104 PolarHBondContact OG1-OG 3.3Å | ||
| 73 | T | 92.8 | Very high | 82.8 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -83.1 | 165.7 | 165.6 | -155.7 | 0 | 0 | 0 | 0 | 110 | F20 L51 P52 F103 S104 | F20-T73 WeakPolarHBondContact O-CA 3.49Å; F20-T73 WeakPolarHBondContact O-CB 3.49Å; F20-T73 PolarHBondContact O-N 3.24Å; L51-T73 HydrophobicContact CB-CG2 4.01Å; P52-T73 HydrophobicContact CG-CG2 4.11Å; P52-T73 WeakPolarHBondContact O-CG2 3.1Å; T73-F103 HydrophobicContact CG2-CD2 3.43Å; T73-F103 VanDerWaalsContact CG2-CD2 3.43Å; T73-F103 HydrophobicContact CG2-CE2 3.16Å; T73-F103 HydrophobicContact CG2-CZ 4.07Å; T73-S104 PolarHBondContact O-N 3.33Å; T73-S104 PolarHBondContact O-OG 2.86Å |
| 74 | N | 93.1 | Very high | 81.1 | Confident | 13 Ų | 13 | 75.4 Ų | 75.4 | 7% | 0.07 | 41% | 0.411 | C | S | . | . | trans | -152.9 | 163.2 | 175 | 57.2 | 75.1 | 0 | 0 | 0 | 109.8 | E76 S77 F78 W93 S104 | N74-E76 WeakPolarHBondContact CB-OE2 3.48Å; N74-E76 PolarHBondContact OD1-N 3.37Å; N74-S77 VanDerWaalsContact CG-OG 3.27Å; N74-S77 PolarHBondContact ND2-OG 2.81Å; N74-S77 WeakPolarHBondContact OD1-CB 3.43Å; N74-S77 PolarHBondContact OD1-N 3.11Å; N74-S77 PolarHBondContact OD1-OG 2.86Å; N74-F78 VanDerWaalsContact O-CD2 3.26Å; N74-F78 WeakPolarHBondContact O-CD2 3.41Å; N74-W93 HydrophobicContact CB-CH2 4.37Å; N74-S104 WeakPolarHBondContact CA-O 3.44Å; N74-S104 VanDerWaalsContact CB-C 3.46Å; N74-S104 WeakPolarHBondContact CB-O 3.08Å; N74-S104 PolarHBondContact ND2-OG 2.77Å | ||
| 75 | L | 91.2 | Very high | 79.9 | Confident | 54 Ų | 54 | 69.8 Ų | 69.8 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -73.1 | -32.7 | 179.1 | -72.8 | 170.6 | 0 | 0 | 0 | 112 | T49 L51 S77 F78 F103 | T49-L75 HydrophobicContact CG2-CD2 4.1Å; L51-L75 HydrophobicContact CD1-CD2 3.57Å; L51-L75 HydrophobicContact CD1-CG 4.29Å; L75-S77 PolarHBondContact O-N 2.59Å; L75-F78 PolarHBondContact O-N 3.31Å; L75-F103 HydrophobicContact CG-CE1 4.41Å; L75-F103 HydrophobicContact CG-CZ 4.18Å |
| 76 | E | 90.1 | Very high | 78.7 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.3 | -174 | -67.5 | 77.6 | -178 | 0 | 0 | 112.8 | N74 F78 A88 W93 G105 K106 Y112 | N74-E76 WeakPolarHBondContact CB-OE2 3.48Å; N74-E76 PolarHBondContact OD1-N 3.37Å; E76-F78 VanDerWaalsContact C-N 3.26Å; E76-F78 PolarHBondContact O-N 2.79Å; E76-A88 HydrophobicContact CB-CB 3.72Å; E76-W93 HydrophobicContact CB-CH2 4.22Å; E76-W93 HydrophobicContact CB-CZ2 4.13Å; E76-W93 HydrophobicContact CG-CH2 4.37Å; E76-W93 HydrophobicContact CG-CZ2 4.05Å; E76-G105 WeakPolarHBondContact OE2-CA 3.34Å; E76-K106 WeakPolarHBondContact OE1-CB 3.32Å; E76-K106 PolarHBondContact OE1-N 3.21Å; E76-Y112 PolarHBondContact OE1-OH 2.78Å; E76-Y112 VanDerWaalsContact OE1-OH 3.06Å |
| 77 | S | 85.2 | Confident | 77.8 | Confident | 12 Ų | 12 | 74 Ų | 74 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -12.7 | 175.9 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | N74 L75 S85 Q86 | N74-S77 VanDerWaalsContact CG-OG 3.27Å; N74-S77 PolarHBondContact ND2-OG 2.81Å; N74-S77 WeakPolarHBondContact OD1-CB 3.43Å; N74-S77 PolarHBondContact OD1-N 3.11Å; N74-S77 PolarHBondContact OD1-OG 2.86Å; L75-S77 PolarHBondContact O-N 2.59Å; S77-S85 WeakPolarHBondContact O-CA 3.42Å; S77-Q86 WeakPolarHBondContact CA-O 3.24Å; S77-Q86 WeakPolarHBondContact CB-O 3.41Å; S77-Q86 PolarHBondContact O-N 3.21Å; S77-Q86 VanDerWaalsContact O-N 3.12Å; S77-Q86 PolarHBondContact OG-O 3.3Å |
| 78 | F | 78.5 | Confident | 77.1 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | trans | -120.4 | 59.3 | -174.6 | -61.3 | -92.4 | 0 | 0 | 0 | 111.3 | F20 L51 N74 L75 E76 G80 | F20-F78 HydrophobicContact CD1-CZ 4.01Å; F20-F78 HydrophobicContact CE1-CE1 4.2Å; F20-F78 HydrophobicContact CE1-CZ 4.04Å; F20-F78 HydrophobicContact CG-CZ 4.3Å; F20-F78 HydrophobicContact CZ-CE1 4.28Å; F20-F78 HydrophobicContact CZ-CZ 4.36Å; L51-F78 HydrophobicContact CD1-CD2 3.86Å; L51-F78 HydrophobicContact CD1-CE2 4.12Å; L51-F78 HydrophobicContact CD2-CD1 4.46Å; L51-F78 HydrophobicContact CD2-CD2 3.89Å; L51-F78 HydrophobicContact CD2-CE1 4.25Å; L51-F78 HydrophobicContact CD2-CE2 3.67Å; L51-F78 HydrophobicContact CD2-CG 4.29Å; L51-F78 HydrophobicContact CD2-CZ 3.86Å; N74-F78 VanDerWaalsContact O-CD2 3.26Å; N74-F78 WeakPolarHBondContact O-CD2 3.41Å; L75-F78 PolarHBondContact O-N 3.31Å; E76-F78 VanDerWaalsContact C-N 3.26Å; E76-F78 PolarHBondContact O-N 2.79Å; F78-G80 PolarHBondContact O-N 2.93Å | ||
| 79 | N | 63.4 | Low | 76.6 | Confident | 128 Ų | 128 | 75.9 Ų | 75.9 | 68% | 0.684 | 42% | 0.419 | S | S | * | . | trans | -87.2 | 102 | 174.4 | -81.7 | -20.9 | 0 | 0 | 0 | 111.8 | E81 | N79-E81 VanDerWaalsContact C-N 3.28Å; N79-E81 PolarHBondContact O-N 2.86Å | ||
| 80 | G | 53.6 | Low | 76.2 | Confident | 87 Ų | 87 | 74.4 Ų | 74.4 | 90% | 0.897 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | -35.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | F78 | F78-G80 PolarHBondContact O-N 2.93Š|
| 81 | E | 49.3 | Very low | 75.7 | Confident | 192 Ų | 192 | 76.8 Ų | 76.8 | 90% | 0.897 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -14.8 | -165.9 | -68 | -171.8 | 161.2 | 0 | 0 | 114.2 | N79 | N79-E81 VanDerWaalsContact C-N 3.28Å; N79-E81 PolarHBondContact O-N 2.86Å |
| 82 | T | 49.3 | Very low | 75.5 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | trans | -137.4 | 137.6 | 176.2 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | Q84 | T82-Q84 PolarHBondContact O-N 3.13Š| ||
| 83 | S | 53.8 | Low | 75.5 | Confident | 123 Ų | 123 | 77.4 Ų | 77.4 | 86% | 0.86 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -68.2 | 2.2 | 174.3 | -47.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 84 | Q | 58.5 | Low | 75.6 | Confident | 139 Ų | 139 | 83.5 Ų | 83.5 | 65% | 0.65 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -101.6 | 123.3 | -179.6 | -64.9 | -172.7 | 2.4 | 0 | 0 | 109.2 | T82 Q86 | T82-Q84 PolarHBondContact O-N 3.13Å; Q84-Q86 PolarHBondContact O-N 2.86Å |
| 85 | S | 66.9 | Low | 75.7 | Confident | 27 Ų | 27 | 91 Ų | 91 | 19% | 0.189 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 126.7 | 171.6 | 62.4 | 0 | 0 | 0 | 0 | 110 | S77 | S77-S85 WeakPolarHBondContact O-CA 3.42Š|
| 86 | Q | 68.7 | Low | 75.9 | Confident | 139 Ų | 139 | 88.8 Ų | 88.8 | 65% | 0.65 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -102.3 | 141 | 167.4 | -65.3 | -172.7 | 2.5 | 0 | 0 | 108.8 | S77 Q84 A88 | S77-Q86 WeakPolarHBondContact CA-O 3.24Å; S77-Q86 WeakPolarHBondContact CB-O 3.41Å; S77-Q86 PolarHBondContact O-N 3.21Å; S77-Q86 VanDerWaalsContact O-N 3.12Å; S77-Q86 PolarHBondContact OG-O 3.3Å; Q84-Q86 PolarHBondContact O-N 2.86Å; Q86-A88 PolarHBondContact O-N 2.92Å; Q86-A88 VanDerWaalsContact O-N 3.13Å |
| 87 | D | 74.1 | Confident | 76.1 | Confident | 105 Ų | 105 | 92.4 Ų | 92.4 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 118.9 | 175.4 | -71 | -47.5 | 0 | 0 | 0 | 109.6 | R18 | R18-D87 IonicContact CZ-OD1 3.39Å; R18-D87 IonicContact CZ-OD2 3.23Å; R18-D87 VanDerWaalsContact CZ-OD2 3.23Å; R18-D87 IonicContact NH1-OD1 3.84Å; R18-D87 IonicContact NH1-OD2 3.09Å; R18-D87 PolarHBondContact NH1-OD2 2.58Å; R18-D87 VanDerWaalsContact NH1-OD2 3.09Å; R18-D87 IonicContact NH2-OD1 2.59Å; R18-D87 PolarHBondContact NH2-OD1 3.09Å; R18-D87 IonicContact NH2-OD2 2.58Å; R18-D87 PolarHBondContact NH2-OD2 3.38Å |
| 88 | A | 79.4 | Confident | 76.6 | Confident | 29 Ų | 29 | 94.2 Ų | 94.2 | 24% | 0.24 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 139 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E76 Q86 A90 W93 | E76-A88 HydrophobicContact CB-CB 3.72Å; Q86-A88 PolarHBondContact O-N 2.92Å; Q86-A88 VanDerWaalsContact O-N 3.13Å; A88-A90 PolarHBondContact O-N 3.05Å; A88-A90 VanDerWaalsContact O-N 3.11Å; A88-W93 HydrophobicContact CB-CH2 3.71Å; A88-W93 HydrophobicContact CB-CZ2 3.78Å |
| 89 | D | 83.7 | Confident | 77.4 | Confident | 122 Ų | 122 | 91.9 Ų | 91.9 | 65% | 0.652 | 52% | 0.522 | S | S | * | . | trans | -69.2 | 107.1 | 171.1 | -180 | 9.4 | 0 | 0 | 0 | 110.1 | S91 W93 | D89-S91 WeakPolarHBondContact OD1-CB 3.17Å; D89-S91 PolarHBondContact OD1-N 2.73Å; D89-S91 PolarHBondContact OD1-OG 2.75Å; D89-S91 PolarHBondContact OD2-OG 2.68Å; D89-W93 PolarHBondContact O-NE1 3.2Å | ||
| 90 | A | 86 | Confident | 78.9 | Confident | 51 Ų | 51 | 87.5 Ų | 87.5 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | trans | -94.7 | 3.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A88 G92 W93 | A88-A90 PolarHBondContact O-N 3.05Å; A88-A90 VanDerWaalsContact O-N 3.11Å; A90-G92 PolarHBondContact O-N 3.18Å; A90-G92 VanDerWaalsContact O-N 3.12Å; A90-W93 HydrophobicContact CB-CD2 3.82Å; A90-W93 HydrophobicContact CB-CE3 3.55Å; A90-W93 HydrophobicContact CB-CG 4.4Å; A90-W93 HydrophobicContact CB-CH2 4.37Å; A90-W93 HydrophobicContact CB-CZ3 3.85Å; A90-W93 PolarHBondContact O-N 3.23Å; A90-W93 VanDerWaalsContact O-N 3.14Å | ||
| 91 | S | 83.9 | Confident | 80.9 | Confident | 105 Ų | 105 | 84 Ų | 84 | 73% | 0.734 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.2 | -170.8 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | D89 | D89-S91 WeakPolarHBondContact OD1-CB 3.17Å; D89-S91 PolarHBondContact OD1-N 2.73Å; D89-S91 PolarHBondContact OD1-OG 2.75Å; D89-S91 PolarHBondContact OD2-OG 2.68Å |
| 92 | G | 89 | Confident | 83.1 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 68% | 0.68 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 3.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A90 | A90-G92 PolarHBondContact O-N 3.18Å; A90-G92 VanDerWaalsContact O-N 3.12Å |
| 93 | W | 94.4 | Very high | 85.4 | Confident | 39 Ų | 39 | 71 Ų | 71 | 15% | 0.148 | 39% | 0.39 | C | S | . | . | trans | -74.8 | 136.4 | -176.1 | -65.5 | -3.5 | 0 | 0 | 0 | 111 | N74 E76 A88 D89 A90 Y112 N197 | N74-W93 HydrophobicContact CB-CH2 4.37Å; E76-W93 HydrophobicContact CB-CH2 4.22Å; E76-W93 HydrophobicContact CB-CZ2 4.13Å; E76-W93 HydrophobicContact CG-CH2 4.37Å; E76-W93 HydrophobicContact CG-CZ2 4.05Å; A88-W93 HydrophobicContact CB-CH2 3.71Å; A88-W93 HydrophobicContact CB-CZ2 3.78Å; D89-W93 PolarHBondContact O-NE1 3.2Å; A90-W93 HydrophobicContact CB-CD2 3.82Å; A90-W93 HydrophobicContact CB-CE3 3.55Å; A90-W93 HydrophobicContact CB-CG 4.4Å; A90-W93 HydrophobicContact CB-CH2 4.37Å; A90-W93 HydrophobicContact CB-CZ3 3.85Å; A90-W93 PolarHBondContact O-N 3.23Å; A90-W93 VanDerWaalsContact O-N 3.14Å; W93-Y112 HydrophobicContact CB-CD1 4.47Å; W93-Y112 HydrophobicContact CB-CE1 4.4Å; W93-Y112 AromaticContact CD1-CE1 3.73Å; W93-Y112 AromaticContact CD1-CZ 3.93Å; W93-Y112 AromaticContact CD2-CE1 3.82Å; W93-Y112 HydrophobicContact CD2-CE1 3.82Å; W93-Y112 AromaticContact CE2-CE1 3.88Å; W93-Y112 AromaticContact CE2-CZ 3.95Å; W93-Y112 HydrophobicContact CG-CD1 4.25Å; W93-Y112 AromaticContact CG-CE1 3.74Å; W93-Y112 HydrophobicContact CG-CE1 3.74Å; W93-Y112 AromaticContact NE1-CE1 3.83Å; W93-Y112 AromaticContact NE1-CZ 3.69Å; W93-Y112 PolarHBondContact NE1-OH 3.14Å; W93-N197 HydrophobicContact CB-CB 4.06Å; W93-N197 HydrophobicContact CE3-CB 4.4Å | ||
| 94 | F | 95.8 | Very high | 87.4 | Confident | 132 Ų | 132 | 65.7 Ų | 65.7 | 58% | 0.579 | 35% | 0.354 | S | S | * | . | trans | -55 | 149.6 | 168.4 | -70.5 | -88.7 | 0 | 0 | 0 | 109.7 | N197 W199 | F94-N197 WeakPolarHBondContact O-CA 3.32Å; F94-N197 VanDerWaalsContact O-CB 3.26Å; F94-N197 WeakPolarHBondContact O-CB 3.44Å; F94-N197 PolarHBondContact O-ND2 2.92Å; F94-W199 HydrophobicContact CB-CH2 4.29Å; F94-W199 HydrophobicContact CB-CZ3 4.24Å | ||
| 95 | K | 95.3 | Very high | 89.1 | Confident | 170 Ų | 170 | 59.1 Ų | 59.1 | 74% | 0.739 | 32% | 0.323 | S | S | * | . | trans | -108.3 | 128.2 | 176 | -65.4 | -178.5 | -178.3 | 177.8 | 0 | 109.1 | E97 W199 | K95-E97 PolarHBondContact O-N 3.33Å; K95-E97 VanDerWaalsContact O-N 3.1Å; K95-W199 WeakPolarHBondContact O-CH2 3.41Å | ||
| 96 | N | 95.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | trans | -68.4 | 106.3 | 172 | -172.3 | -16 | 0 | 0 | 0 | 108.7 | P63 Y98 E99 Y188 T195 D196 W199 | P63-N96 WeakPolarHBondContact CG-O 3.17Å; N96-Y98 PolarHBondContact O-N 3.2Å; N96-Y98 WeakPolarHBondContact OD1-CB 3.42Å; N96-Y98 PolarHBondContact OD1-N 2.79Å; N96-E99 PolarHBondContact OD1-N 3.06Å; N96-Y188 PolarHBondContact ND2-OH 2.89Å; N96-T195 WeakPolarHBondContact CB-O 3.24Å; N96-T195 PolarHBondContact ND2-O 3.07Å; N96-D196 WeakPolarHBondContact CB-O 3.35Å; N96-D196 PolarHBondContact N-O 3.21Å; N96-W199 VanDerWaalsContact CA-CZ3 3.44Å; N96-W199 HydrophobicContact CB-CD2 4.41Å; N96-W199 HydrophobicContact CB-CE3 3.65Å; N96-W199 HydrophobicContact CB-CZ3 3.94Å | ||
| 97 | E | 94 | Very high | 91.7 | Very high | 119 Ų | 119 | 55 Ų | 55 | 56% | 0.556 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -77 | -11.3 | 179.9 | -59.7 | -171.1 | 151.3 | 0 | 0 | 112.9 | K95 K252 | K95-E97 PolarHBondContact O-N 3.33Å; K95-E97 VanDerWaalsContact O-N 3.1Å; E97-K252 VanDerWaalsContact CB-CE 3.46Å; E97-K252 WeakPolarHBondContact O-CE 3.45Å; E97-K252 VanDerWaalsContact O-CG 3.24Å; E97-K252 WeakPolarHBondContact O-CG 3.4Å; E97-K252 IonicContact OE2-NZ 3.59Å; E97-K252 PolarHBondContact OE2-NZ 3.19Å |
| 98 | Y | 94.5 | Very high | 92.6 | Very high | 50 Ų | 50 | 54.6 Ų | 54.6 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -92.2 | -36.1 | -174.5 | -58.9 | -85 | 0 | 0 | 0 | 113 | N96 Y188 W199 Y251 K252 | N96-Y98 PolarHBondContact O-N 3.2Å; N96-Y98 WeakPolarHBondContact OD1-CB 3.42Å; N96-Y98 PolarHBondContact OD1-N 2.79Å; Y98-Y188 HydrophobicContact CD1-CD2 4.12Å; Y98-Y188 AromaticContact CD1-CG 3.9Å; Y98-Y188 HydrophobicContact CD1-CG 3.9Å; Y98-Y188 AromaticContact CD2-CD2 3.07Å; Y98-Y188 HydrophobicContact CD2-CD2 3.07Å; Y98-Y188 AromaticContact CD2-CE2 3.53Å; Y98-Y188 HydrophobicContact CD2-CE2 3.53Å; Y98-Y188 AromaticContact CD2-CG 3.74Å; Y98-Y188 HydrophobicContact CD2-CG 3.74Å; Y98-Y188 HydrophobicContact CE1-CG 4.4Å; Y98-Y188 AromaticContact CE2-CD2 3.61Å; Y98-Y188 HydrophobicContact CE2-CD2 3.61Å; Y98-Y188 HydrophobicContact CE2-CE2 4.39Å; Y98-Y188 HydrophobicContact CE2-CG 4.23Å; Y98-Y188 HydrophobicContact CG-CD1 4.18Å; Y98-Y188 AromaticContact CG-CD2 3.34Å; Y98-Y188 HydrophobicContact CG-CD2 3.34Å; Y98-Y188 AromaticContact CG-CE2 3.82Å; Y98-Y188 HydrophobicContact CG-CE2 3.82Å; Y98-Y188 AromaticContact CG-CG 3.52Å; Y98-Y188 HydrophobicContact CG-CG 3.52Å; Y98-W199 AromaticContact CE2-NE1 3.74Å; Y98-Y251 CarbonylContact O-C 3.6Å; Y98-Y251 WeakPolarHBondContact O-CB 3.4Å; Y98-Y251 PolarHBondContact O-N 2.89Å; Y98-K252 HydrophobicContact CD1-CD 4.02Å; Y98-K252 HydrophobicContact CD1-CG 4.31Å; Y98-K252 HydrophobicContact CE1-CD 4.27Å |
| 99 | E | 95 | Very high | 93.4 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | trans | -157.9 | 152.1 | 179.4 | 88.9 | -170.8 | 130.4 | 0 | 0 | 113.7 | K61 N96 T101 Y188 Y251 | K61-E99 HydrophobicContact CB-CB 4.45Å; K61-E99 IonicContact NZ-OE2 3.69Å; K61-E99 CarbonylContact O-C 3.53Å; K61-E99 WeakPolarHBondContact O-CA 3.5Å; N96-E99 PolarHBondContact OD1-N 3.06Å; E99-T101 HydrophobicContact CG-CG2 3.55Å; E99-Y188 WeakPolarHBondContact CG-OH 3.33Å; E99-Y188 WeakPolarHBondContact OE1-CE1 3.26Å; E99-Y188 PolarHBondContact OE1-OH 3.12Å; E99-Y251 HydrophobicContact CB-CD2 3.59Å; E99-Y251 HydrophobicContact CB-CE2 4.14Å; E99-Y251 HydrophobicContact CB-CG 4.43Å; E99-Y251 WeakPolarHBondContact OE2-CE2 3.47Å | ||
| 100 | R | 96.1 | Very high | 93.8 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | trans | -81 | 125.9 | 154.4 | -62.2 | -170.8 | -169.2 | 108.2 | -0.2 | 108.1 | L56 L60 K61 S62 P63 S65 Y70 | L56-R100 HydrophobicContact CD1-CB 3.4Å; L56-R100 HydrophobicContact CD1-CG 4.46Å; L60-R100 PolarHBondContact O-NH1 3.2Å; K61-R100 PolarHBondContact O-N 2.7Å; S62-R100 PolarHBondContact O-NH1 3.07Å; P63-R100 PolarHBondContact O-NH2 2.77Å; S65-R100 PolarHBondContact O-NH1 3.06Å; S65-R100 VanDerWaalsContact O-NH1 3.12Å; S65-R100 PolarHBondContact O-NH2 2.8Å; S65-R100 PolarHBondContact OG-NH1 3.48Å; Y70-R100 HydrophobicContact CE1-CB 4.33Å; Y70-R100 HydrophobicContact CE1-CG 4.21Å | ||
| 101 | T | 95.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | trans | -102.7 | -10.1 | -172.9 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | Q53 E99 F103 N194 T195 D196 | Q53-T101 WeakPolarHBondContact CG-O 3.29Å; Q53-T101 PolarHBondContact NE2-O 2.86Å; E99-T101 HydrophobicContact CG-CG2 3.55Å; T101-F103 VanDerWaalsContact C-N 3.28Å; T101-F103 PolarHBondContact OG1-N 3.4Å; T101-F103 PolarHBondContact OG1-O 3.33Å; T101-N194 HydrophobicContact CG2-CB 4.15Å; T101-T195 VanDerWaalsContact CG2-C 3.42Å; T101-T195 WeakPolarHBondContact CG2-O 3.16Å; T101-T195 WeakPolarHBondContact OG1-CA 3.34Å; T101-D196 PolarHBondContact N-OD1 2.77Å; T101-D196 PolarHBondContact OG1-N 2.93Å; T101-D196 PolarHBondContact OG1-OD1 3.06Å | ||
| 102 | G | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 78.4 | 8.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L54 Y70 | L54-G102 PolarHBondContact N-O 2.84Å; L54-G102 VanDerWaalsContact N-O 3.07Å; Y70-G102 VanDerWaalsContact OH-CA 3.24Å; Y70-G102 WeakPolarHBondContact OH-CA 3.34Å; Y70-G102 PolarHBondContact OH-N 3.37Å |
| 103 | F | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -147.5 | 131.4 | -179.1 | -161.6 | -89.8 | 0 | 0 | 0 | 110.7 | Y46 L51 Q53 T73 L75 T101 T195 D196 | Y46-F103 HydrophobicContact CD1-CD1 4.41Å; Y46-F103 AromaticContact CD1-CE1 3.92Å; Y46-F103 HydrophobicContact CD1-CE1 3.92Å; Y46-F103 HydrophobicContact CD1-CE2 4.24Å; Y46-F103 AromaticContact CD1-CZ 3.82Å; Y46-F103 HydrophobicContact CD1-CZ 3.82Å; Y46-F103 HydrophobicContact CD2-CB 3.99Å; Y46-F103 AromaticContact CD2-CD1 3.58Å; Y46-F103 HydrophobicContact CD2-CD1 3.58Å; Y46-F103 AromaticContact CD2-CD2 3.84Å; Y46-F103 HydrophobicContact CD2-CD2 3.84Å; Y46-F103 AromaticContact CD2-CE1 3.94Å; Y46-F103 HydrophobicContact CD2-CE1 3.94Å; Y46-F103 HydrophobicContact CD2-CE2 4.14Å; Y46-F103 AromaticContact CD2-CG 3.53Å; Y46-F103 HydrophobicContact CD2-CG 3.53Å; Y46-F103 HydrophobicContact CD2-CZ 4.21Å; Y46-F103 HydrophobicContact CE1-CE1 4.18Å; Y46-F103 AromaticContact CE2-CD1 3.82Å; Y46-F103 HydrophobicContact CE2-CD1 3.82Å; Y46-F103 HydrophobicContact CE2-CE1 4.21Å; Y46-F103 HydrophobicContact CE2-CG 4.16Å; Y46-F103 AromaticContact CG-CD1 3.92Å; Y46-F103 HydrophobicContact CG-CD1 3.92Å; Y46-F103 AromaticContact CG-CD2 3.79Å; Y46-F103 HydrophobicContact CG-CD2 3.79Å; Y46-F103 AromaticContact CG-CE1 3.8Å; Y46-F103 HydrophobicContact CG-CE1 3.8Å; Y46-F103 AromaticContact CG-CE2 3.64Å; Y46-F103 HydrophobicContact CG-CE2 3.64Å; Y46-F103 AromaticContact CG-CG 3.91Å; Y46-F103 HydrophobicContact CG-CG 3.91Å; Y46-F103 AromaticContact CG-CZ 3.66Å; Y46-F103 HydrophobicContact CG-CZ 3.66Å; L51-F103 HydrophobicContact CB-CE2 3.9Å; L51-F103 HydrophobicContact CB-CZ 4.38Å; L51-F103 HydrophobicContact CD1-CE2 4.47Å; L51-F103 HydrophobicContact CD1-CZ 4.2Å; Q53-F103 HydrophobicContact CB-CB 4.47Å; Q53-F103 HydrophobicContact CB-CD2 4.26Å; Q53-F103 HydrophobicContact CG-CB 4.08Å; T73-F103 HydrophobicContact CG2-CD2 3.43Å; T73-F103 VanDerWaalsContact CG2-CD2 3.43Å; T73-F103 HydrophobicContact CG2-CE2 3.16Å; T73-F103 HydrophobicContact CG2-CZ 4.07Å; L75-F103 HydrophobicContact CG-CE1 4.41Å; L75-F103 HydrophobicContact CG-CZ 4.18Å; T101-F103 VanDerWaalsContact C-N 3.28Å; T101-F103 PolarHBondContact OG1-N 3.4Å; T101-F103 PolarHBondContact OG1-O 3.33Å; F103-T195 HydrophobicContact CD1-CG2 3.8Å; F103-T195 CarbonylContact O-C 3.49Å; F103-T195 WeakPolarHBondContact O-CA 3.38Å; F103-T195 WeakPolarHBondContact O-CB 3.38Å; F103-D196 PolarHBondContact O-N 2.71Å |
| 104 | S | 95.9 | Very high | 95.2 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | trans | -103.3 | 178 | 178.3 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | T72 T73 N74 N197 | T72-S104 WeakPolarHBondContact OG1-CB 3.38Å; T72-S104 PolarHBondContact OG1-N 3Å; T72-S104 PolarHBondContact OG1-OG 3.3Å; T73-S104 PolarHBondContact O-N 3.33Å; T73-S104 PolarHBondContact O-OG 2.86Å; N74-S104 WeakPolarHBondContact CA-O 3.44Å; N74-S104 VanDerWaalsContact CB-C 3.46Å; N74-S104 WeakPolarHBondContact CB-O 3.08Å; N74-S104 PolarHBondContact ND2-OG 2.77Å; S104-N197 WeakPolarHBondContact CA-OD1 3.22Å; S104-N197 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 105 | G | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 83.7 | -170.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E76 G107 T195 N197 | E76-G105 WeakPolarHBondContact OE2-CA 3.34Å; G105-G107 VanDerWaalsContact C-N 3.34Å; G105-T195 WeakPolarHBondContact O-CB 3.4Å; G105-T195 PolarHBondContact O-OG1 2.86Å; G105-N197 PolarHBondContact N-OD1 3.14Å; G105-N197 WeakPolarHBondContact O-CB 3.1Å |
| 106 | K | 95 | Very high | 95.2 | Very high | 72 Ų | 72 | 38.9 Ų | 38.9 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | trans | -77 | -27.2 | 179.4 | -168.5 | -178.6 | 66.1 | 172.4 | 0 | 112.1 | E76 L109 Y112 A198 | E76-K106 WeakPolarHBondContact OE1-CB 3.32Å; E76-K106 PolarHBondContact OE1-N 3.21Å; K106-L109 WeakPolarHBondContact CD-O 3.48Å; K106-L109 WeakPolarHBondContact CE-O 3.45Å; K106-L109 WeakPolarHBondContact CG-O 3.18Å; K106-L109 PolarHBondContact O-N 3.27Å; K106-Y112 HydrophobicContact CB-CD1 4.13Å; K106-Y112 HydrophobicContact CB-CD2 4.27Å; K106-Y112 HydrophobicContact CB-CE1 3.86Å; K106-Y112 HydrophobicContact CB-CE2 3.97Å; K106-Y112 HydrophobicContact CB-CG 4.34Å; K106-Y112 HydrophobicContact CD-CD2 4.29Å; K106-Y112 HydrophobicContact CD-CE2 4.35Å; K106-Y112 HydrophobicContact CG-CD2 4.37Å; K106-Y112 HydrophobicContact CG-CE2 4.48Å; K106-Y112 HydrophobicContact CG-CG 4.45Å; K106-A198 HydrophobicContact CG-CB 4.38Å | ||
| 107 | G | 94.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 9% | 0.093 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | -138.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y46 G105 | Y46-G107 WeakPolarHBondContact OH-CA 3.39Å; G105-G107 VanDerWaalsContact C-N 3.34Å |
| 108 | K | 93.2 | Very high | 95.3 | Very high | 95 Ų | 95 | 32.9 Ų | 32.9 | 41% | 0.413 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 1.6 | 178.3 | -79.1 | -175.4 | 176.6 | 178 | 0 | 114.4 | Y46 P47 G48 E193 | Y46-K108 HydrophobicContact CE1-CB 4.31Å; Y46-K108 HydrophobicContact CE1-CG 4.1Å; Y46-K108 PolarHBondContact OH-N 2.72Å; P47-K108 WeakPolarHBondContact O-CD 3.47Å; P47-K108 WeakPolarHBondContact O-CE 3.26Å; P47-K108 PolarHBondContact O-NZ 2.82Å; G48-K108 PolarHBondContact O-NZ 3.22Å; K108-E193 HydrophobicContact CB-CG 4.46Å |
| 109 | L | 95.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -76.8 | 151.5 | -179.4 | -65.5 | 176.9 | 0 | 0 | 0 | 111.8 | K106 Q111 W147 E193 A198 V200 | K106-L109 WeakPolarHBondContact CD-O 3.48Å; K106-L109 WeakPolarHBondContact CE-O 3.45Å; K106-L109 WeakPolarHBondContact CG-O 3.18Å; K106-L109 PolarHBondContact O-N 3.27Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.18Å; L109-W147 HydrophobicContact CD2-CH2 3.49Å; L109-W147 VanDerWaalsContact CD2-CH2 3.49Å; L109-W147 HydrophobicContact CD2-CZ2 4.12Å; L109-W147 HydrophobicContact CD2-CZ3 4.4Å; L109-E193 HydrophobicContact CD2-CB 3.92Å; L109-E193 HydrophobicContact CG-CB 4.18Å; L109-A198 HydrophobicContact CB-CB 4.06Å; L109-A198 HydrophobicContact CD1-CB 3.73Å; L109-A198 VanDerWaalsContact CD1-O 3.26Å; L109-A198 WeakPolarHBondContact CD1-O 3.48Å; L109-A198 HydrophobicContact CG-CB 4.47Å; L109-V200 HydrophobicContact CD2-CG2 3.95Å |
| 110 | P | 92.6 | Very high | 95.5 | Very high | 76 Ų | 76 | 30 Ų | 30 | 49% | 0.494 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -55.8 | -41.6 | -178.7 | -28.2 | 33.4 | 0 | 0 | 0 | 114.7 | N115 | P110-N115 VanDerWaalsContact CD-OD1 3.22Å; P110-N115 WeakPolarHBondContact CD-OD1 2.95Å |
| 111 | Q | 94.3 | Very high | 95.6 | Very high | 116 Ų | 116 | 28.3 Ų | 28.3 | 54% | 0.542 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -143.6 | 159.5 | -176.2 | 57.5 | -179.6 | 62.8 | 0 | 0 | 112.2 | L109 A114 N115 A198 | L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.18Å; Q111-A114 PolarHBondContact NE2-O 3.32Å; Q111-N115 WeakPolarHBondContact CG-OD1 3.07Å; Q111-N115 PolarHBondContact N-OD1 2.84Å; Q111-N115 PolarHBondContact O-ND2 2.8Å; Q111-N115 PolarHBondContact O-OD1 2.93Å; Q111-A198 WeakPolarHBondContact O-CB 3.42Å |
| 112 | Y | 96.1 | Very high | 95.6 | Very high | 65 Ų | 65 | 27.7 Ų | 27.7 | 26% | 0.255 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -63.3 | 152.9 | 166.1 | -68.5 | -87 | 0 | 0 | 0 | 110.8 | E76 W93 K106 N197 | E76-Y112 PolarHBondContact OE1-OH 2.78Å; E76-Y112 VanDerWaalsContact OE1-OH 3.06Å; W93-Y112 HydrophobicContact CB-CD1 4.47Å; W93-Y112 HydrophobicContact CB-CE1 4.4Å; W93-Y112 AromaticContact CD1-CE1 3.73Å; W93-Y112 AromaticContact CD1-CZ 3.93Å; W93-Y112 AromaticContact CD2-CE1 3.82Å; W93-Y112 HydrophobicContact CD2-CE1 3.82Å; W93-Y112 AromaticContact CE2-CE1 3.88Å; W93-Y112 AromaticContact CE2-CZ 3.95Å; W93-Y112 HydrophobicContact CG-CD1 4.25Å; W93-Y112 AromaticContact CG-CE1 3.74Å; W93-Y112 HydrophobicContact CG-CE1 3.74Å; W93-Y112 AromaticContact NE1-CE1 3.83Å; W93-Y112 AromaticContact NE1-CZ 3.69Å; W93-Y112 PolarHBondContact NE1-OH 3.14Å; K106-Y112 HydrophobicContact CB-CD1 4.13Å; K106-Y112 HydrophobicContact CB-CD2 4.27Å; K106-Y112 HydrophobicContact CB-CE1 3.86Å; K106-Y112 HydrophobicContact CB-CE2 3.97Å; K106-Y112 HydrophobicContact CB-CG 4.34Å; K106-Y112 HydrophobicContact CD-CD2 4.29Å; K106-Y112 HydrophobicContact CD-CE2 4.35Å; K106-Y112 HydrophobicContact CG-CD2 4.37Å; K106-Y112 HydrophobicContact CG-CE2 4.48Å; K106-Y112 HydrophobicContact CG-CG 4.45Å; Y112-N197 HydrophobicContact CD1-CB 3.95Å; Y112-N197 HydrophobicContact CE1-CB 4.26Å |
| 113 | G | 96.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.6 | -150.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N115 N197 A198 W199 | G113-N115 PolarHBondContact O-ND2 3.17Å; G113-N197 PolarHBondContact N-O 2.82Å; G113-A198 WeakPolarHBondContact O-CA 3.47Å; G113-W199 PolarHBondContact O-N 3.12Å |
| 114 | A | 95.6 | Very high | 95.7 | Very high | 36 Ų | 36 | 28.2 Ų | 28.2 | 30% | 0.298 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 133.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q111 W199 D201 | Q111-A114 PolarHBondContact NE2-O 3.32Å; A114-W199 CarbonylContact C-O 3.54Å; A114-W199 HydrophobicContact CB-CZ2 4.32Å; A114-D201 HydrophobicContact CB-CB 4.27Å; A114-D201 VanDerWaalsContact CB-OD2 3.24Å; A114-D201 WeakPolarHBondContact CB-OD2 3.21Å |
| 115 | N | 96.5 | Very high | 95.5 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.032 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 113.4 | 173.9 | -66.9 | -100.2 | 0 | 0 | 0 | 108.6 | P110 Q111 G113 W147 W199 V200 D201 | P110-N115 VanDerWaalsContact CD-OD1 3.22Å; P110-N115 WeakPolarHBondContact CD-OD1 2.95Å; Q111-N115 WeakPolarHBondContact CG-OD1 3.07Å; Q111-N115 PolarHBondContact N-OD1 2.84Å; Q111-N115 PolarHBondContact O-ND2 2.8Å; Q111-N115 PolarHBondContact O-OD1 2.93Å; G113-N115 PolarHBondContact O-ND2 3.17Å; N115-W147 HydrophobicContact CB-CE3 4.4Å; N115-W147 HydrophobicContact CB-CZ3 3.81Å; N115-W199 WeakPolarHBondContact CB-O 3.32Å; N115-W199 PolarHBondContact N-O 2.6Å; N115-W199 PolarHBondContact ND2-O 3.07Å; N115-V200 WeakPolarHBondContact O-CA 2.83Å; N115-D201 PolarHBondContact O-N 3.49Å; N115-D201 VanDerWaalsContact O-O 3.06Å |
| 116 | L | 95.8 | Very high | 95.1 | Very high | 80 Ų | 80 | 34.1 Ų | 34.1 | 42% | 0.419 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 130.1 | -175.6 | -65.5 | 175.4 | 0 | 0 | 0 | 112.1 | L148 D201 | L116-L148 HydrophobicContact CB-CB 4.04Å; L116-L148 HydrophobicContact CB-CD2 4.45Å; L116-L148 WeakPolarHBondContact CB-O 3.48Å; L116-L148 HydrophobicContact CD1-CD2 4.5Å; L116-L148 PolarHBondContact O-N 2.81Å; L116-D201 CarbonylContact C-O 3.58Å; L116-D201 WeakPolarHBondContact CA-O 3.48Å; L116-D201 HydrophobicContact CD2-CB 4.19Å |
| 117 | A | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 156.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y119 R145 F146 W147 V200 D201 G202 A203 | A117-Y119 HydrophobicContact CB-CD1 4.35Å; A117-Y119 HydrophobicContact CB-CE1 4.09Å; A117-R145 HydrophobicContact CB-CG 4.2Å; A117-F146 CarbonylContact C-O 3.55Å; A117-F146 WeakPolarHBondContact CA-O 3.26Å; A117-W147 HydrophobicContact CB-CE3 3.83Å; A117-W147 HydrophobicContact CB-CZ3 3.98Å; A117-V200 HydrophobicContact CB-CG1 3.68Å; A117-D201 PolarHBondContact N-O 2.81Å; A117-G202 WeakPolarHBondContact O-CA 3.23Å; A117-A203 PolarHBondContact O-N 2.99Å |
| 118 | A | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | F146 I153 Y157 | A118-F146 PolarHBondContact N-O 2.96Å; A118-F146 PolarHBondContact O-N 2.93Å; A118-I153 HydrophobicContact CB-CD1 3.89Å; A118-I153 HydrophobicContact CB-CG1 4.31Å; A118-I153 HydrophobicContact CB-CG2 4.2Å; A118-Y157 HydrophobicContact CB-CE1 3.68Å |
| 119 | Y | 96.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.027 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.2 | 171.5 | -75 | 29.7 | 0 | 0 | 0 | 106.7 | A117 L143 R145 L189 K190 N191 V200 A203 V204 V205 F247 | A117-Y119 HydrophobicContact CB-CD1 4.35Å; A117-Y119 HydrophobicContact CB-CE1 4.09Å; Y119-L143 HydrophobicContact CD2-CB 4.18Å; Y119-L143 HydrophobicContact CD2-CD1 4.46Å; Y119-L143 HydrophobicContact CG-CB 4.43Å; Y119-R145 HydrophobicContact CD1-CB 4.17Å; Y119-R145 HydrophobicContact CD1-CG 3.84Å; Y119-R145 HydrophobicContact CE1-CB 4.19Å; Y119-R145 VanDerWaalsContact CE1-CD 3.43Å; Y119-R145 HydrophobicContact CE1-CG 3.57Å; Y119-L189 HydrophobicContact CD1-CD1 3.77Å; Y119-L189 HydrophobicContact CE1-CD1 3.69Å; Y119-L189 HydrophobicContact CE2-CB 4.45Å; Y119-L189 HydrophobicContact CE2-CD1 4.49Å; Y119-L189 HydrophobicContact CG-CD1 4.21Å; Y119-K190 PolarHBondContact OH-O 3.18Å; Y119-N191 PolarHBondContact OH-ND2 2.92Å; Y119-V200 HydrophobicContact CE1-CG1 4.12Å; Y119-A203 PolarHBondContact N-O 3.46Å; Y119-V204 WeakPolarHBondContact O-CA 3.34Å; Y119-V205 PolarHBondContact O-N 3.05Å; Y119-F247 AromaticContact CD2-CD1 3.95Å; Y119-F247 HydrophobicContact CD2-CD1 3.95Å; Y119-F247 HydrophobicContact CD2-CG 4.35Å; Y119-F247 AromaticContact CE2-CD1 3.92Å; Y119-F247 HydrophobicContact CE2-CD1 3.92Å |
| 120 | L | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 114.1 | 177.6 | -58.8 | -171.1 | 0 | 0 | 0 | 109.5 | I122 P144 F146 K161 L162 L165 V205 | L120-I122 HydrophobicContact CB-CD1 4.33Å; L120-I122 HydrophobicContact CB-CG1 4.09Å; L120-I122 PolarHBondContact O-N 2.55Å; L120-P144 HydrophobicContact CB-CB 4.43Å; L120-P144 PolarHBondContact N-O 3.2Å; L120-P144 WeakPolarHBondContact O-CD 3.21Å; L120-F146 HydrophobicContact CD1-CD2 4.07Å; L120-F146 HydrophobicContact CD1-CE2 3.61Å; L120-F146 HydrophobicContact CG-CD2 4.05Å; L120-F146 HydrophobicContact CG-CE2 3.95Å; L120-K161 HydrophobicContact CD1-CB 3.81Å; L120-L162 HydrophobicContact CD1-CD2 3.87Å; L120-L162 HydrophobicContact CD1-CG 4.35Å; L120-L165 HydrophobicContact CD1-CD1 4.25Å; L120-V205 HydrophobicContact CD2-CB 4.13Å |
| 121 | L | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 93.4 | 168.5 | 178.1 | 65 | 0 | 0 | 0 | 108.4 | T123 V132 L143 Y184 V204 V205 H206 V207 A240 F243 A244 | L121-T123 HydrophobicContact CG-CG2 4.5Å; L121-V132 HydrophobicContact CD1-CB 4.04Å; L121-V132 HydrophobicContact CD1-CG1 3.59Å; L121-L143 HydrophobicContact CB-CD1 4.07Å; L121-L143 HydrophobicContact CD1-CD1 4.26Å; L121-L143 HydrophobicContact CD1-CD2 3.79Å; L121-Y184 HydrophobicContact CD2-CD2 4.17Å; L121-Y184 HydrophobicContact CD2-CE2 4.45Å; L121-V204 HydrophobicContact CB-CG1 4.01Å; L121-V205 PolarHBondContact N-O 3.45Å; L121-H206 HydrophobicContact CD2-CB 4.38Å; L121-H206 WeakPolarHBondContact O-CA 3.43Å; L121-H206 PolarHBondContact O-CD2 2.7Å; L121-V207 PolarHBondContact O-N 3.36Å; L121-A240 HydrophobicContact CD2-CB 4.01Å; L121-A240 WeakPolarHBondContact CD2-O 3.27Å; L121-F243 HydrophobicContact CD1-CD1 3.61Å; L121-F243 HydrophobicContact CD1-CE1 3.98Å; L121-A244 HydrophobicContact CD2-CB 4Å |
| 122 | I | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 123.1 | -179.8 | -58.1 | 176.5 | 0 | 0 | 0 | 108.8 | L120 V132 L133 L162 L165 V207 F215 W231 | L120-I122 HydrophobicContact CB-CD1 4.33Å; L120-I122 HydrophobicContact CB-CG1 4.09Å; L120-I122 PolarHBondContact O-N 2.55Å; I122-V132 CarbonylContact O-C 3.6Å; I122-V132 WeakPolarHBondContact O-CA 3.38Å; I122-L133 HydrophobicContact CB-CB 4.03Å; I122-L133 HydrophobicContact CD1-CD2 4.07Å; I122-L133 PolarHBondContact O-N 2.8Å; I122-L162 HydrophobicContact CD1-CD2 3.78Å; I122-L162 HydrophobicContact CG1-CD2 4.18Å; I122-L165 HydrophobicContact CD1-CD1 3.73Å; I122-V207 CarbonylContact C-O 3.49Å; I122-V207 VanDerWaalsContact CA-O 3.29Å; I122-V207 WeakPolarHBondContact CA-O 3.41Å; I122-F215 HydrophobicContact CD1-CD1 4.1Å; I122-F215 HydrophobicContact CD1-CD2 4.42Å; I122-F215 HydrophobicContact CD1-CE1 4.05Å; I122-F215 HydrophobicContact CD1-CE2 4.35Å; I122-F215 HydrophobicContact CD1-CG 4.29Å; I122-F215 HydrophobicContact CD1-CZ 4.18Å; I122-F215 HydrophobicContact CG2-CD2 3.45Å; I122-F215 VanDerWaalsContact CG2-CD2 3.45Å; I122-F215 HydrophobicContact CG2-CE2 3.69Å; I122-F215 HydrophobicContact CG2-CG 4.09Å; I122-W231 HydrophobicContact CG2-CH2 4.2Å |
| 123 | T | 96.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144.3 | 178.2 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | L121 T130 K131 V132 H206 V207 H208 D209 A240 | L121-T123 HydrophobicContact CG-CG2 4.5Å; T123-T130 HydrophobicContact CG2-CG2 4.33Å; T123-K131 CarbonylContact C-O 3.38Å; T123-K131 VanDerWaalsContact CA-O 3.23Å; T123-K131 WeakPolarHBondContact CA-O 3.18Å; T123-V132 HydrophobicContact CG2-CG1 3.82Å; T123-H206 WeakPolarHBondContact CG2-NE2 3.49Å; T123-H206 PolarHBondContact OG1-NE2 3.08Å; T123-V207 PolarHBondContact N-O 3.45Å; T123-H208 PolarHBondContact O-ND1 3.22Å; T123-H208 PolarHBondContact OG1-ND1 2.94Å; T123-D209 PolarHBondContact O-N 3.42Å; T123-A240 HydrophobicContact CG2-CB 3.96Å |
| 124 | I | 95.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 153.2 | 162.4 | 60.1 | 175 | 0 | 0 | 0 | 109.2 | T126 T130 K131 D209 W231 | I124-T126 HydrophobicContact CD1-CG2 4.22Å; I124-T130 WeakPolarHBondContact O-CA 3.39Å; I124-K131 HydrophobicContact CD1-CB 4.29Å; I124-K131 HydrophobicContact CD1-CD 4.01Å; I124-K131 HydrophobicContact CG1-CB 3.78Å; I124-K131 HydrophobicContact CG1-CD 4.26Å; I124-K131 HydrophobicContact CG1-CG 4.45Å; I124-K131 PolarHBondContact N-O 2.55Å; I124-K131 PolarHBondContact O-N 2.88Å; I124-D209 HydrophobicContact CG2-CB 3.79Å; I124-W231 HydrophobicContact CB-CH2 4.2Å; I124-W231 HydrophobicContact CB-CZ3 4.35Å; I124-W231 HydrophobicContact CD1-CD2 3.75Å; I124-W231 HydrophobicContact CD1-CE3 3.98Å; I124-W231 HydrophobicContact CD1-CG 4.34Å; I124-W231 HydrophobicContact CD1-CH2 4.02Å; I124-W231 HydrophobicContact CD1-CZ2 3.75Å; I124-W231 HydrophobicContact CD1-CZ3 4.1Å; I124-W231 HydrophobicContact CG1-CD2 4.18Å; I124-W231 HydrophobicContact CG1-CE3 3.87Å; I124-W231 HydrophobicContact CG1-CH2 3.88Å; I124-W231 HydrophobicContact CG1-CZ2 4.15Å; I124-W231 HydrophobicContact CG1-CZ3 3.7Å; I124-W231 HydrophobicContact CG2-CH2 3.45Å; I124-W231 VanDerWaalsContact CG2-CH2 3.45Å; I124-W231 HydrophobicContact CG2-CZ2 3.83Å; I124-W231 HydrophobicContact CG2-CZ3 4.05Å |
| 125 | H | 93 | Very high | 94 | Very high | 104 Ų | 104 | 32.5 Ų | 32.5 | 48% | 0.481 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 110.9 | 173.4 | -172.2 | 80.6 | 0 | 0 | 0 | 108.8 | G128 T129 T130 | H125-G128 PolarHBondContact CE1-O 2.79Å; H125-G128 WeakPolarHBondContact NE2-CA 3.08Å; H125-T129 WeakPolarHBondContact CA-O 3.38Å; H125-T130 PolarHBondContact ND1-OG1 3.36Å |
| 126 | T | 87.4 | Confident | 93.2 | Very high | 32 Ų | 32 | 34.4 Ų | 34.4 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 127.9 | -175.1 | 60.6 | 0 | 0 | 0 | 0 | 108.9 | I124 G128 T129 K131 | I124-T126 HydrophobicContact CD1-CG2 4.22Å; T126-G128 VanDerWaalsContact C-N 3.29Å; T126-G128 PolarHBondContact O-N 3.3Å; T126-T129 PolarHBondContact N-O 3.33Å; T126-T129 PolarHBondContact O-N 3.43Å; T126-K131 PolarHBondContact OG1-NZ 2.84Å |
| 127 | Y | 86.6 | Confident | 92.3 | Very high | 235 Ų | 235 | 32 Ų | 32 | 92% | 0.922 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 40.7 | 176.8 | -52.7 | -72.9 | 0 | 0 | 0 | 114.2 | T129 | Y127-T129 PolarHBondContact O-N 3.19Š|
| 128 | G | 88.5 | Confident | 91 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 55% | 0.546 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -5.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H125 T126 | H125-G128 PolarHBondContact CE1-O 2.79Å; H125-G128 WeakPolarHBondContact NE2-CA 3.08Å; T126-G128 VanDerWaalsContact C-N 3.29Å; T126-G128 PolarHBondContact O-N 3.3Å |
| 129 | T | 92 | Very high | 89.9 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 25% | 0.245 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.6 | -178.8 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | H125 T126 Y127 K131 I233 | H125-T129 WeakPolarHBondContact CA-O 3.38Å; T126-T129 PolarHBondContact N-O 3.33Å; T126-T129 PolarHBondContact O-N 3.43Å; Y127-T129 PolarHBondContact O-N 3.19Å; T129-K131 HydrophobicContact CG2-CG 4.43Å; T129-I233 HydrophobicContact CG2-CB 4.33Å; T129-I233 HydrophobicContact CG2-CG1 4.13Å; T129-I233 HydrophobicContact CG2-CG2 3.48Å; T129-I233 VanDerWaalsContact CG2-CG2 3.48Å |
| 130 | T | 95 | Very high | 89 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 130 | 170.5 | -58.6 | 0 | 0 | 0 | 0 | 110 | T123 I124 H125 L234 | T123-T130 HydrophobicContact CG2-CG2 4.33Å; I124-T130 WeakPolarHBondContact O-CA 3.39Å; H125-T130 PolarHBondContact ND1-OG1 3.36Å; T130-L234 HydrophobicContact CG2-CD1 4.11Å; T130-L234 PolarHBondContact O-N 2.91Å |
| 131 | K | 95 | Very high | 88.5 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.7 | 176.3 | -56.4 | 169 | -177.3 | 158.1 | 0 | 109.8 | T123 I124 T126 T129 V220 W231 Q232 I233 | T123-K131 CarbonylContact C-O 3.38Å; T123-K131 VanDerWaalsContact CA-O 3.23Å; T123-K131 WeakPolarHBondContact CA-O 3.18Å; I124-K131 HydrophobicContact CD1-CB 4.29Å; I124-K131 HydrophobicContact CD1-CD 4.01Å; I124-K131 HydrophobicContact CG1-CB 3.78Å; I124-K131 HydrophobicContact CG1-CD 4.26Å; I124-K131 HydrophobicContact CG1-CG 4.45Å; I124-K131 PolarHBondContact N-O 2.55Å; I124-K131 PolarHBondContact O-N 2.88Å; T126-K131 PolarHBondContact OG1-NZ 2.84Å; T129-K131 HydrophobicContact CG2-CG 4.43Å; K131-V220 HydrophobicContact CD-CG2 4.45Å; K131-W231 HydrophobicContact CB-CB 4.33Å; K131-W231 HydrophobicContact CB-CD2 4.37Å; K131-W231 HydrophobicContact CB-CE3 3.81Å; K131-W231 HydrophobicContact CD-CB 4.35Å; K131-Q232 CarbonylContact C-O 3.42Å; K131-Q232 VanDerWaalsContact CA-O 3.27Å; K131-Q232 WeakPolarHBondContact CA-O 3.47Å; K131-I233 HydrophobicContact CG-CG1 4.1Å |
| 132 | V | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.1 | 175.7 | -69.1 | 0 | 0 | 0 | 0 | 110.6 | L121 I122 T123 V134 Q232 L234 F243 | L121-V132 HydrophobicContact CD1-CB 4.04Å; L121-V132 HydrophobicContact CD1-CG1 3.59Å; I122-V132 CarbonylContact O-C 3.6Å; I122-V132 WeakPolarHBondContact O-CA 3.38Å; T123-V132 HydrophobicContact CG2-CG1 3.82Å; V132-V134 HydrophobicContact CG2-CG1 3.93Å; V132-V134 PolarHBondContact O-N 2.75Å; V132-Q232 HydrophobicContact CG2-CB 3.95Å; V132-Q232 WeakPolarHBondContact CG2-O 3.36Å; V132-Q232 PolarHBondContact N-O 3.29Å; V132-Q232 PolarHBondContact O-N 2.82Å; V132-L234 HydrophobicContact CG1-CD1 3.62Å; V132-L234 HydrophobicContact CG1-CD2 4Å; V132-L234 HydrophobicContact CG1-CG 3.77Å; V132-L234 HydrophobicContact CG2-CD2 3.82Å; V132-L234 HydrophobicContact CG2-CG 4.19Å; V132-F243 HydrophobicContact CB-CE1 4.32Å; V132-F243 HydrophobicContact CG1-CD1 4.21Å; V132-F243 HydrophobicContact CG1-CE1 4.41Å; V132-F243 HydrophobicContact CG2-CD1 4.32Å; V132-F243 HydrophobicContact CG2-CE1 3.81Å; V132-F243 HydrophobicContact CG2-CZ 3.98Å |
| 133 | L | 94.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 120.4 | 174.1 | -171.5 | 68.1 | 0 | 0 | 0 | 109.1 | I122 P144 F215 Y218 W231 | I122-L133 HydrophobicContact CB-CB 4.03Å; I122-L133 HydrophobicContact CD1-CD2 4.07Å; I122-L133 PolarHBondContact O-N 2.8Å; L133-P144 HydrophobicContact CD2-CG 4.02Å; L133-P144 HydrophobicContact CG-CG 4.25Å; L133-P144 WeakPolarHBondContact O-CD 3.08Å; L133-F215 HydrophobicContact CD2-CB 4.33Å; L133-Y218 HydrophobicContact CD1-CD2 3.35Å; L133-Y218 HydrophobicContact CD1-CE2 3.81Å; L133-Y218 HydrophobicContact CD1-CG 4.18Å; L133-Y218 HydrophobicContact CD2-CE2 4.4Å; L133-W231 HydrophobicContact CB-CE3 4.15Å; L133-W231 HydrophobicContact CB-CH2 3.98Å; L133-W231 HydrophobicContact CB-CZ3 3.73Å; L133-W231 HydrophobicContact CD1-CD2 4.32Å; L133-W231 HydrophobicContact CD1-CH2 4.45Å; L133-W231 HydrophobicContact CD1-CZ2 4.28Å; L133-W231 VanDerWaalsContact N-CZ3 3.28Å |
| 134 | V | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 150.3 | -179.8 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | V132 T141 A142 Y229 R230 Q232 F243 | V132-V134 HydrophobicContact CG2-CG1 3.93Å; V132-V134 PolarHBondContact O-N 2.75Å; V134-T141 HydrophobicContact CB-CG2 3.94Å; V134-T141 HydrophobicContact CG1-CG2 3.6Å; V134-T141 HydrophobicContact CG2-CG2 4.5Å; V134-A142 CarbonylContact C-O 3.46Å; V134-A142 VanDerWaalsContact CA-O 3.25Å; V134-A142 WeakPolarHBondContact CA-O 3.38Å; V134-A142 WeakPolarHBondContact CB-O 3.37Å; V134-Y229 CarbonylContact O-C 3.49Å; V134-Y229 VanDerWaalsContact O-CA 3.25Å; V134-Y229 WeakPolarHBondContact O-CA 3.46Å; V134-R230 HydrophobicContact CG2-CG 3.6Å; V134-R230 WeakPolarHBondContact CG2-O 2.87Å; V134-R230 PolarHBondContact N-O 3Å; V134-R230 PolarHBondContact O-N 3.44Å; V134-Q232 HydrophobicContact CG1-CB 4.05Å; V134-Q232 HydrophobicContact CG2-CB 3.93Å; V134-F243 HydrophobicContact CG1-CZ 4.49Å |
| 135 | E | 89.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 51.6 Ų | 51.6 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 132.5 | 166.7 | -75.6 | -175.9 | 179.4 | 0 | 0 | 109.4 | T137 A142 P144 R145 K228 Y229 | E135-T137 HydrophobicContact CB-CG2 4.25Å; E135-T137 PolarHBondContact O-N 2.8Å; E135-A142 HydrophobicContact CB-CB 3.86Å; E135-A142 PolarHBondContact N-O 2.82Å; E135-P144 WeakPolarHBondContact OE1-CA 3.11Å; E135-R145 PolarHBondContact OE1-N 3.39Å; E135-K228 CarbonylContact C-O 3.6Å; E135-K228 VanDerWaalsContact CA-O 3.27Å; E135-K228 WeakPolarHBondContact CA-O 3.48Å; E135-Y229 HydrophobicContact CB-CD1 4.45Å; E135-Y229 HydrophobicContact CB-CE1 4.44Å; E135-Y229 HydrophobicContact CG-CD1 3.67Å; E135-Y229 HydrophobicContact CG-CE1 3.25Å; E135-Y229 PolarHBondContact OE1-OH 3.32Å |
| 136 | D | 79 | Confident | 88 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 107.1 | 175.4 | -164.1 | 32.5 | 0 | 0 | 0 | 108.5 | K228 R230 | D136-K228 PolarHBondContact N-O 3.49Å; D136-R230 IonicContact OD1-NE 3.21Å |
| 137 | T | 76.7 | Confident | 88.4 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | trans | -126.7 | 142.7 | 176.8 | 84.6 | 0 | 0 | 0 | 0 | 108.4 | E135 D139 Y140 A142 | E135-T137 HydrophobicContact CB-CG2 4.25Å; E135-T137 PolarHBondContact O-N 2.8Å; T137-D139 PolarHBondContact O-N 2.81Å; T137-D139 VanDerWaalsContact O-N 3.13Å; T137-Y140 HydrophobicContact CG2-CE1 4.16Å; T137-Y140 HydrophobicContact CG2-CE2 4.19Å; T137-Y140 VanDerWaalsContact OG1-C 3.24Å; T137-Y140 WeakPolarHBondContact OG1-CD1 3.41Å; T137-Y140 WeakPolarHBondContact OG1-CE1 3.39Å; T137-Y140 VanDerWaalsContact OG1-CG 3.3Å; T137-Y140 PolarHBondContact OG1-N 2.91Å; T137-Y140 VanDerWaalsContact OG1-N 3.17Å; T137-Y140 PolarHBondContact OG1-O 2.78Å; T137-A142 HydrophobicContact CG2-CB 4.15Å | ||
| 138 | D | 68.8 | Low | 88.7 | Confident | 160 Ų | 160 | 40.4 Ų | 40.4 | 86% | 0.856 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -63.5 | -22.1 | -171.4 | -69.9 | -34.1 | 0 | 0 | 0 | 113.3 | ||
| 139 | D | 71.8 | Confident | 88.7 | Confident | 85 Ų | 85 | 47.7 Ų | 47.7 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -138.6 | 5.3 | -164.5 | 65 | -35.6 | 0 | 0 | 0 | 114.7 | T137 K192 | T137-D139 PolarHBondContact O-N 2.81Å; T137-D139 VanDerWaalsContact O-N 3.13Å; D139-K192 PolarHBondContact O-NZ 3.45Å; D139-K192 IonicContact OD1-NZ 2.89Å; D139-K192 IonicContact OD2-NZ 3.15Å; D139-K192 PolarHBondContact OD2-NZ 2.88Å |
| 140 | Y | 79.3 | Confident | 88.4 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -160.5 | 174.7 | 173 | 59.1 | -68.6 | 0 | 0 | 0 | 114 | T137 A142 K192 | T137-Y140 HydrophobicContact CG2-CE1 4.16Å; T137-Y140 HydrophobicContact CG2-CE2 4.19Å; T137-Y140 VanDerWaalsContact OG1-C 3.24Å; T137-Y140 WeakPolarHBondContact OG1-CD1 3.41Å; T137-Y140 WeakPolarHBondContact OG1-CE1 3.39Å; T137-Y140 VanDerWaalsContact OG1-CG 3.3Å; T137-Y140 PolarHBondContact OG1-N 2.91Å; T137-Y140 VanDerWaalsContact OG1-N 3.17Å; T137-Y140 PolarHBondContact OG1-O 2.78Å; Y140-A142 HydrophobicContact CD2-CB 4.08Å; Y140-A142 HydrophobicContact CE2-CB 3.77Å; Y140-K192 VanDerWaalsContact CB-CE 3.41Å; Y140-K192 HydrophobicContact CD1-CD 3.39Å; Y140-K192 HydrophobicContact CD1-CG 4.06Å; Y140-K192 HydrophobicContact CD2-CD 4.34Å; Y140-K192 HydrophobicContact CD2-CG 4.15Å; Y140-K192 HydrophobicContact CE1-CD 3.56Å; Y140-K192 HydrophobicContact CE1-CG 4.07Å; Y140-K192 HydrophobicContact CE2-CD 4.47Å; Y140-K192 HydrophobicContact CE2-CG 4.14Å; Y140-K192 HydrophobicContact CG-CD 3.83Å; Y140-K192 HydrophobicContact CG-CG 4.12Å |
| 141 | T | 85.9 | Confident | 88.1 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 31% | 0.307 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127 | 167.6 | -58 | 0 | 0 | 0 | 0 | 108.9 | V134 Q232 F243 | V134-T141 HydrophobicContact CB-CG2 3.94Å; V134-T141 HydrophobicContact CG1-CG2 3.6Å; V134-T141 HydrophobicContact CG2-CG2 4.5Å; T141-Q232 PolarHBondContact OG1-OE1 2.82Å; T141-F243 HydrophobicContact CG2-CZ 4.13Å |
| 142 | A | 91.2 | Very high | 88 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 155 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V134 E135 T137 Y140 | V134-A142 CarbonylContact C-O 3.46Å; V134-A142 VanDerWaalsContact CA-O 3.25Å; V134-A142 WeakPolarHBondContact CA-O 3.38Å; V134-A142 WeakPolarHBondContact CB-O 3.37Å; E135-A142 HydrophobicContact CB-CB 3.86Å; E135-A142 PolarHBondContact N-O 2.82Å; T137-A142 HydrophobicContact CG2-CB 4.15Å; Y140-A142 HydrophobicContact CD2-CB 4.08Å; Y140-A142 HydrophobicContact CE2-CB 3.77Å |
| 143 | L | 94.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | trans | -95.1 | 154.2 | 169.1 | -71.3 | 175.9 | 0 | 0 | 0 | 109.9 | Y119 L121 R145 V204 F243 F247 | Y119-L143 HydrophobicContact CD2-CB 4.18Å; Y119-L143 HydrophobicContact CD2-CD1 4.46Å; Y119-L143 HydrophobicContact CG-CB 4.43Å; L121-L143 HydrophobicContact CB-CD1 4.07Å; L121-L143 HydrophobicContact CD1-CD1 4.26Å; L121-L143 HydrophobicContact CD1-CD2 3.79Å; L143-R145 PolarHBondContact O-N 3.22Å; L143-V204 HydrophobicContact CD1-CG1 3.94Å; L143-F243 HydrophobicContact CD2-CE1 4.19Å; L143-F247 HydrophobicContact CD1-CD2 3.79Å; L143-F247 HydrophobicContact CD1-CE1 4.44Å; L143-F247 HydrophobicContact CD1-CE2 3.64Å; L143-F247 HydrophobicContact CD1-CG 4.28Å; L143-F247 HydrophobicContact CD1-CZ 4Å; L143-F247 HydrophobicContact CD2-CE2 4.37Å; L143-F247 HydrophobicContact CD2-CZ 4.32Å; L143-F247 HydrophobicContact CG-CD2 4.31Å; L143-F247 HydrophobicContact CG-CE1 4.04Å; L143-F247 HydrophobicContact CG-CE2 3.71Å; L143-F247 HydrophobicContact CG-CZ 3.57Å | ||
| 144 | P | 94.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -47.3 | 111 | 167 | -24.4 | 28.9 | 0 | 0 | 0 | 111.6 | L120 L133 E135 F146 L165 Y229 | L120-P144 HydrophobicContact CB-CB 4.43Å; L120-P144 PolarHBondContact N-O 3.2Å; L120-P144 WeakPolarHBondContact O-CD 3.21Å; L133-P144 HydrophobicContact CD2-CG 4.02Å; L133-P144 HydrophobicContact CG-CG 4.25Å; L133-P144 WeakPolarHBondContact O-CD 3.08Å; E135-P144 WeakPolarHBondContact OE1-CA 3.11Å; P144-F146 HydrophobicContact CB-CE2 4.15Å; P144-L165 HydrophobicContact CB-CD1 3.74Å; P144-L165 HydrophobicContact CG-CD1 4.18Å; P144-Y229 HydrophobicContact CB-CE1 3.89Å; P144-Y229 HydrophobicContact CG-CD1 4.09Å; P144-Y229 HydrophobicContact CG-CE1 3.72Å | ||
| 145 | R | 93.7 | Very high | 87.9 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 19% | 0.185 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.1 | -172.5 | 177.6 | 176.7 | 61.8 | 156.9 | -0.8 | 111.8 | A117 Y119 E135 L143 N191 E193 | A117-R145 HydrophobicContact CB-CG 4.2Å; Y119-R145 HydrophobicContact CD1-CB 4.17Å; Y119-R145 HydrophobicContact CD1-CG 3.84Å; Y119-R145 HydrophobicContact CE1-CB 4.19Å; Y119-R145 VanDerWaalsContact CE1-CD 3.43Å; Y119-R145 HydrophobicContact CE1-CG 3.57Å; E135-R145 PolarHBondContact OE1-N 3.39Å; L143-R145 PolarHBondContact O-N 3.22Å; R145-N191 PolarHBondContact NH1-ND2 2.93Å; R145-E193 IonicContact CZ-OE2 2.59Å; R145-E193 VanDerWaalsContact CZ-OE2 3.26Å; R145-E193 IonicContact NH1-OE2 2.57Å; R145-E193 PolarHBondContact NH1-OE2 2.88Å; R145-E193 IonicContact NH2-OE1 3.52Å; R145-E193 IonicContact NH2-OE2 3.87Å; R145-E193 PolarHBondContact NH2-OE2 3.06Å |
| 146 | F | 95.2 | Very high | 88.2 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 11% | 0.114 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 119.2 | 176.7 | -59.4 | -84.9 | 0 | 0 | 0 | 112.3 | A117 A118 L120 P144 Y157 K161 K164 L165 | A117-F146 CarbonylContact C-O 3.55Å; A117-F146 WeakPolarHBondContact CA-O 3.26Å; A118-F146 PolarHBondContact N-O 2.96Å; A118-F146 PolarHBondContact O-N 2.93Å; L120-F146 HydrophobicContact CD1-CD2 4.07Å; L120-F146 HydrophobicContact CD1-CE2 3.61Å; L120-F146 HydrophobicContact CG-CD2 4.05Å; L120-F146 HydrophobicContact CG-CE2 3.95Å; P144-F146 HydrophobicContact CB-CE2 4.15Å; F146-Y157 PolarHBondContact O-OH 3.1Å; F146-K161 HydrophobicContact CB-CD 3.92Å; F146-K161 HydrophobicContact CB-CG 3.98Å; F146-K161 HydrophobicContact CD1-CB 4.33Å; F146-K161 HydrophobicContact CD1-CD 3.69Å; F146-K161 HydrophobicContact CD1-CG 4.14Å; F146-K161 HydrophobicContact CD2-CB 3.85Å; F146-K161 HydrophobicContact CD2-CD 4.43Å; F146-K161 HydrophobicContact CD2-CG 3.96Å; F146-K161 HydrophobicContact CE1-CB 4.37Å; F146-K161 HydrophobicContact CE1-CD 4.3Å; F146-K161 HydrophobicContact CE2-CB 3.93Å; F146-K161 HydrophobicContact CG-CB 4.06Å; F146-K161 HydrophobicContact CG-CD 3.74Å; F146-K161 HydrophobicContact CG-CG 3.74Å; F146-K161 HydrophobicContact CZ-CB 4.17Å; F146-K164 HydrophobicContact CE1-CB 4.48Å; F146-K164 HydrophobicContact CE1-CD 4.23Å; F146-L165 HydrophobicContact CE2-CD1 4.01Å; F146-L165 HydrophobicContact CE2-CG 4.49Å; F146-L165 HydrophobicContact CZ-CD1 3.87Å; F146-L165 HydrophobicContact CZ-CD2 4.05Å; F146-L165 HydrophobicContact CZ-CG 3.86Å |
| 147 | W | 94.4 | Very high | 89 | Confident | 90 Ų | 90 | 70 Ų | 70 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 137.9 | 175.2 | -58.7 | 114.3 | 0 | 0 | 0 | 112.6 | L109 N115 A117 Y157 V200 | L109-W147 HydrophobicContact CD2-CH2 3.49Å; L109-W147 VanDerWaalsContact CD2-CH2 3.49Å; L109-W147 HydrophobicContact CD2-CZ2 4.12Å; L109-W147 HydrophobicContact CD2-CZ3 4.4Å; N115-W147 HydrophobicContact CB-CE3 4.4Å; N115-W147 HydrophobicContact CB-CZ3 3.81Å; A117-W147 HydrophobicContact CB-CE3 3.83Å; A117-W147 HydrophobicContact CB-CZ3 3.98Å; W147-Y157 PolarHBondContact O-OH 2.84Å; W147-V200 HydrophobicContact CH2-CG2 3.75Å; W147-V200 HydrophobicContact CZ3-CG1 4.27Å; W147-V200 HydrophobicContact CZ3-CG2 3.91Å |
| 148 | L | 93.9 | Very high | 90 | Very high | 20 Ų | 20 | 69 Ų | 69 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | trans | -113.8 | 112.4 | 175.5 | -176.5 | 70.3 | 0 | 0 | 0 | 108.5 | L116 R150 G151 I153 Y157 | L116-L148 HydrophobicContact CB-CB 4.04Å; L116-L148 HydrophobicContact CB-CD2 4.45Å; L116-L148 WeakPolarHBondContact CB-O 3.48Å; L116-L148 HydrophobicContact CD1-CD2 4.5Å; L116-L148 PolarHBondContact O-N 2.81Å; L148-R150 VanDerWaalsContact CD1-O 3.27Å; L148-R150 WeakPolarHBondContact CD1-O 3.21Å; L148-G151 WeakPolarHBondContact CD2-O 3.39Å; L148-I153 HydrophobicContact CD2-CG1 3.93Å; L148-Y157 HydrophobicContact CD1-CD2 3.74Å; L148-Y157 HydrophobicContact CD1-CE2 3.28Å; L148-Y157 HydrophobicContact CG-CE2 4.46Å | ||
| 149 | K | 89.4 | Confident | 91.3 | Very high | 207 Ų | 207 | 63.4 Ų | 63.4 | 90% | 0.9 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -76.4 | -39.8 | 177.9 | -68.9 | -173.4 | 177.4 | -175.8 | 0 | 112.3 | ||
| 150 | R | 85.2 | Confident | 92.5 | Very high | 229 Ų | 229 | 64.7 Ų | 64.7 | 86% | 0.864 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -155.1 | 156.5 | -177.7 | -63.7 | -173.3 | -179.6 | 176.5 | -0.8 | 109.3 | L148 | L148-R150 VanDerWaalsContact CD1-O 3.27Å; L148-R150 WeakPolarHBondContact CD1-O 3.21Å |
| 151 | G | 88.4 | Confident | 93.3 | Very high | 60 Ų | 60 | 62.6 Ų | 62.6 | 62% | 0.619 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 97.8 | -162.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L148 | L148-G151 WeakPolarHBondContact CD2-O 3.39Š|
| 152 | T | 92.2 | Very high | 93.7 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 60% | 0.595 | 29% | 0.287 | S | S | * | . | trans | -114.5 | 157.8 | -177.3 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | D154 | T152-D154 VanDerWaalsContact C-N 3.32Å; T152-D154 PolarHBondContact O-N 2.96Å | ||
| 153 | I | 93.3 | Very high | 93.9 | Very high | 28 Ų | 28 | 62.6 Ų | 62.6 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | trans | -85.9 | 79.3 | 171 | -55.8 | 171.1 | 0 | 0 | 0 | 107.4 | A118 L148 Y157 I158 Q183 A203 V205 | A118-I153 HydrophobicContact CB-CD1 3.89Å; A118-I153 HydrophobicContact CB-CG1 4.31Å; A118-I153 HydrophobicContact CB-CG2 4.2Å; L148-I153 HydrophobicContact CD2-CG1 3.93Å; I153-Y157 HydrophobicContact CB-CD1 4.47Å; I153-Y157 HydrophobicContact CG1-CE1 4.46Å; I153-Y157 HydrophobicContact CG2-CD1 4Å; I153-Y157 HydrophobicContact CG2-CE1 4.36Å; I153-I158 HydrophobicContact CG2-CD1 4.45Å; I153-I158 HydrophobicContact CG2-CG1 4.14Å; I153-Q183 PolarHBondContact O-NE2 2.88Å; I153-A203 HydrophobicContact CD1-CB 3.69Å; I153-V205 HydrophobicContact CG2-CG2 3.8Å | ||
| 154 | D | 94.4 | Very high | 93.8 | Very high | 66 Ų | 66 | 69.6 Ų | 69.6 | 35% | 0.353 | 33% | 0.328 | S | S | . | . | trans | -97.4 | 176.6 | 178.4 | 57.3 | 30.2 | 0 | 0 | 0 | 112.6 | T152 D156 Y157 I158 | T152-D154 VanDerWaalsContact C-N 3.32Å; T152-D154 PolarHBondContact O-N 2.96Å; D154-D156 VanDerWaalsContact C-N 3.29Å; D154-D156 PolarHBondContact O-N 2.89Å; D154-D156 PolarHBondContact OD1-N 2.64Å; D154-Y157 WeakPolarHBondContact O-CB 3.26Å; D154-Y157 PolarHBondContact O-N 3.21Å; D154-Y157 VanDerWaalsContact OD1-CB 3.24Å; D154-Y157 WeakPolarHBondContact OD1-CB 3.38Å; D154-Y157 PolarHBondContact OD1-N 3.1Å; D154-I158 WeakPolarHBondContact O-CD1 3.27Å; D154-I158 VanDerWaalsContact O-CG1 3.27Å; D154-I158 WeakPolarHBondContact O-CG1 3.37Å; D154-I158 PolarHBondContact O-N 3.21Å | ||
| 155 | E | 95.1 | Very high | 93.7 | Very high | 96 Ų | 96 | 70.1 Ų | 70.1 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -53.4 | -45 | 178.7 | -179.6 | -177.7 | 155.5 | 0 | 0 | 112.1 | I158 K159 A178 K179 | E155-I158 PolarHBondContact O-N 3.07Å; E155-K159 WeakPolarHBondContact O-CB 3.36Å; E155-K159 PolarHBondContact O-N 3.07Å; E155-A178 HydrophobicContact CG-CB 4.23Å; E155-K179 HydrophobicContact CG-CB 4.33Å; E155-K179 WeakPolarHBondContact OE1-CB 3.27Å |
| 156 | D | 95.5 | Very high | 93.6 | Very high | 82 Ų | 82 | 69.3 Ų | 69.3 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | -179.2 | 172.8 | 53.6 | 0 | 0 | 0 | 111.8 | D154 R160 | D154-D156 VanDerWaalsContact C-N 3.29Å; D154-D156 PolarHBondContact O-N 2.89Å; D154-D156 PolarHBondContact OD1-N 2.64Å; D156-R160 WeakPolarHBondContact O-CG 3.33Å; D156-R160 PolarHBondContact O-N 3.01Å; D156-R160 IonicContact OD1-NH1 2.75Å; D156-R160 IonicContact OD2-CZ 3.26Å; D156-R160 IonicContact OD2-NH1 3.84Å; D156-R160 PolarHBondContact OD2-NH1 2.91Å; D156-R160 IonicContact OD2-NH2 2.8Å; D156-R160 PolarHBondContact OD2-NH2 3.47Å |
| 157 | Y | 96.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 72.4 Ų | 72.4 | 4% | 0.039 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 170.3 | -177.8 | -90.3 | 0 | 0 | 0 | 111.8 | A118 F146 W147 L148 I153 D154 R160 K161 | A118-Y157 HydrophobicContact CB-CE1 3.68Å; F146-Y157 PolarHBondContact O-OH 3.1Å; W147-Y157 PolarHBondContact O-OH 2.84Å; L148-Y157 HydrophobicContact CD1-CD2 3.74Å; L148-Y157 HydrophobicContact CD1-CE2 3.28Å; L148-Y157 HydrophobicContact CG-CE2 4.46Å; I153-Y157 HydrophobicContact CB-CD1 4.47Å; I153-Y157 HydrophobicContact CG1-CE1 4.46Å; I153-Y157 HydrophobicContact CG2-CD1 4Å; I153-Y157 HydrophobicContact CG2-CE1 4.36Å; D154-Y157 WeakPolarHBondContact O-CB 3.26Å; D154-Y157 PolarHBondContact O-N 3.21Å; D154-Y157 VanDerWaalsContact OD1-CB 3.24Å; D154-Y157 WeakPolarHBondContact OD1-CB 3.38Å; D154-Y157 PolarHBondContact OD1-N 3.1Å; Y157-R160 VanDerWaalsContact CA-NH2 3.34Å; Y157-R160 PolarHBondContact O-N 2.88Å; Y157-K161 HydrophobicContact CD1-CG 4.18Å; Y157-K161 HydrophobicContact CE1-CD 4.48Å; Y157-K161 HydrophobicContact CE1-CG 3.82Å; Y157-K161 HydrophobicContact CE2-CD 4.48Å; Y157-K161 WeakPolarHBondContact O-CG 3.25Å; Y157-K161 PolarHBondContact O-N 3.34Å; Y157-K161 VanDerWaalsContact O-N 3.11Å; Y157-K161 WeakPolarHBondContact OH-CE 3.49Å |
| 158 | I | 96.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 75.6 Ų | 75.6 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 178.6 | -65.7 | 159.1 | 0 | 0 | 0 | 109.9 | I153 D154 E155 R160 K161 L162 A178 V205 V207 | I153-I158 HydrophobicContact CG2-CD1 4.45Å; I153-I158 HydrophobicContact CG2-CG1 4.14Å; D154-I158 WeakPolarHBondContact O-CD1 3.27Å; D154-I158 VanDerWaalsContact O-CG1 3.27Å; D154-I158 WeakPolarHBondContact O-CG1 3.37Å; D154-I158 PolarHBondContact O-N 3.21Å; E155-I158 PolarHBondContact O-N 3.07Å; I158-R160 PolarHBondContact O-N 3.06Å; I158-K161 PolarHBondContact O-N 2.96Å; I158-L162 HydrophobicContact CG2-CD1 3.83Å; I158-L162 HydrophobicContact CG2-CG 4.14Å; I158-L162 WeakPolarHBondContact O-CG 3.32Å; I158-L162 PolarHBondContact O-N 2.77Å; I158-A178 HydrophobicContact CB-CB 4.3Å; I158-A178 HydrophobicContact CG2-CB 3.98Å; I158-V205 HydrophobicContact CD1-CG1 3.69Å; I158-V205 HydrophobicContact CG1-CG1 4.1Å; I158-V207 HydrophobicContact CG2-CG2 4.03Å |
| 159 | K | 97.1 | Very high | 93.1 | Very high | 42 Ų | 42 | 75.3 Ų | 75.3 | 18% | 0.183 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -51.3 | -52.1 | 176.5 | 177.7 | -177.8 | 168.4 | 173.6 | 0 | 111.4 | E155 K161 L162 L163 E171 I174 S175 A178 | E155-K159 WeakPolarHBondContact O-CB 3.36Å; E155-K159 PolarHBondContact O-N 3.07Å; K159-K161 VanDerWaalsContact C-N 3.26Å; K159-K161 PolarHBondContact O-N 3.17Å; K159-L162 PolarHBondContact O-N 3.21Å; K159-L163 HydrophobicContact CG-CD1 4.12Å; K159-L163 HydrophobicContact CG-CG 4.5Å; K159-L163 WeakPolarHBondContact O-CG 3.38Å; K159-L163 PolarHBondContact O-N 2.93Å; K159-E171 WeakPolarHBondContact CE-OE1 3.17Å; K159-E171 IonicContact NZ-OE1 2.73Å; K159-E171 PolarHBondContact NZ-OE1 2.96Å; K159-I174 HydrophobicContact CG-CG2 4.33Å; K159-S175 WeakPolarHBondContact CD-OG 3.48Å; K159-S175 WeakPolarHBondContact CE-OG 3.4Å; K159-S175 PolarHBondContact NZ-OG 3.2Å; K159-A178 HydrophobicContact CB-CB 3.66Å |
| 160 | R | 96 | Very high | 93.4 | Very high | 111 Ų | 111 | 72.6 Ų | 72.6 | 42% | 0.419 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.5 | -34.5 | 178.2 | -75.9 | -172.7 | -62.8 | -110.3 | -9.5 | 113.3 | D156 Y157 I158 K164 | D156-R160 WeakPolarHBondContact O-CG 3.33Å; D156-R160 PolarHBondContact O-N 3.01Å; D156-R160 IonicContact OD1-NH1 2.75Å; D156-R160 IonicContact OD2-CZ 3.26Å; D156-R160 IonicContact OD2-NH1 3.84Å; D156-R160 PolarHBondContact OD2-NH1 2.91Å; D156-R160 IonicContact OD2-NH2 2.8Å; D156-R160 PolarHBondContact OD2-NH2 3.47Å; Y157-R160 VanDerWaalsContact CA-NH2 3.34Å; Y157-R160 PolarHBondContact O-N 2.88Å; I158-R160 PolarHBondContact O-N 3.06Å; R160-K164 WeakPolarHBondContact O-CG 3.38Å |
| 161 | K | 95.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 67.2 Ų | 67.2 | 13% | 0.126 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -77 | -40 | 178.5 | -61 | -37.9 | -179.1 | 172.6 | 0 | 111.8 | L120 F146 Y157 I158 K159 L163 K164 | L120-K161 HydrophobicContact CD1-CB 3.81Å; F146-K161 HydrophobicContact CB-CD 3.92Å; F146-K161 HydrophobicContact CB-CG 3.98Å; F146-K161 HydrophobicContact CD1-CB 4.33Å; F146-K161 HydrophobicContact CD1-CD 3.69Å; F146-K161 HydrophobicContact CD1-CG 4.14Å; F146-K161 HydrophobicContact CD2-CB 3.85Å; F146-K161 HydrophobicContact CD2-CD 4.43Å; F146-K161 HydrophobicContact CD2-CG 3.96Å; F146-K161 HydrophobicContact CE1-CB 4.37Å; F146-K161 HydrophobicContact CE1-CD 4.3Å; F146-K161 HydrophobicContact CE2-CB 3.93Å; F146-K161 HydrophobicContact CG-CB 4.06Å; F146-K161 HydrophobicContact CG-CD 3.74Å; F146-K161 HydrophobicContact CG-CG 3.74Å; F146-K161 HydrophobicContact CZ-CB 4.17Å; Y157-K161 HydrophobicContact CD1-CG 4.18Å; Y157-K161 HydrophobicContact CE1-CD 4.48Å; Y157-K161 HydrophobicContact CE1-CG 3.82Å; Y157-K161 HydrophobicContact CE2-CD 4.48Å; Y157-K161 WeakPolarHBondContact O-CG 3.25Å; Y157-K161 PolarHBondContact O-N 3.34Å; Y157-K161 VanDerWaalsContact O-N 3.11Å; Y157-K161 WeakPolarHBondContact OH-CE 3.49Å; I158-K161 PolarHBondContact O-N 2.96Å; K159-K161 VanDerWaalsContact C-N 3.26Å; K159-K161 PolarHBondContact O-N 3.17Å; K161-L163 VanDerWaalsContact C-N 3.33Å; K161-L163 PolarHBondContact O-N 3.04Å; K161-K164 WeakPolarHBondContact O-CB 3.49Å; K161-K164 PolarHBondContact O-N 2.93Å; K161-K164 VanDerWaalsContact O-N 3.14Å |
| 162 | L | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 172.2 | -66.8 | 173.2 | 0 | 0 | 0 | 111 | L120 I122 I158 K159 K164 L165 N166 I174 M177 A178 V207 F215 | L120-L162 HydrophobicContact CD1-CD2 3.87Å; L120-L162 HydrophobicContact CD1-CG 4.35Å; I122-L162 HydrophobicContact CD1-CD2 3.78Å; I122-L162 HydrophobicContact CG1-CD2 4.18Å; I158-L162 HydrophobicContact CG2-CD1 3.83Å; I158-L162 HydrophobicContact CG2-CG 4.14Å; I158-L162 WeakPolarHBondContact O-CG 3.32Å; I158-L162 PolarHBondContact O-N 2.77Å; K159-L162 PolarHBondContact O-N 3.21Å; L162-K164 PolarHBondContact O-N 2.94Å; L162-K164 VanDerWaalsContact O-N 3.14Å; L162-L165 CarbonylContact O-C 3.58Å; L162-L165 PolarHBondContact O-N 3.49Å; L162-N166 WeakPolarHBondContact O-CB 3.38Å; L162-N166 PolarHBondContact O-N 3.06Å; L162-I174 HydrophobicContact CB-CD1 4.46Å; L162-I174 HydrophobicContact CB-CG2 3.57Å; L162-I174 HydrophobicContact CD1-CG2 4.27Å; L162-M177 HydrophobicContact CD1-CB 4.23Å; L162-A178 HydrophobicContact CD1-CB 4.08Å; L162-V207 HydrophobicContact CD1-CG1 3.89Å; L162-V207 HydrophobicContact CD1-CG2 4.19Å; L162-V207 HydrophobicContact CD2-CB 4.32Å; L162-V207 HydrophobicContact CD2-CG1 4.14Å; L162-V207 HydrophobicContact CD2-CG2 4.3Å; L162-F215 HydrophobicContact CB-CE1 4.31Å; L162-F215 HydrophobicContact CB-CZ 4.23Å; L162-F215 HydrophobicContact CD2-CE1 4.07Å; L162-F215 HydrophobicContact CD2-CZ 3.68Å; L162-F215 HydrophobicContact CG-CZ 4.44Å |
| 163 | L | 95 | Very high | 94.3 | Very high | 61 Ų | 61 | 66.1 Ų | 66.1 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.3 | -27 | 175.9 | -74.5 | 172 | 0 | 0 | 0 | 113.6 | K159 K161 L165 E171 I174 | K159-L163 HydrophobicContact CG-CD1 4.12Å; K159-L163 HydrophobicContact CG-CG 4.5Å; K159-L163 WeakPolarHBondContact O-CG 3.38Å; K159-L163 PolarHBondContact O-N 2.93Å; K161-L163 VanDerWaalsContact C-N 3.33Å; K161-L163 PolarHBondContact O-N 3.04Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-E171 HydrophobicContact CD1-CG 4.3Å; L163-E171 HydrophobicContact CD2-CB 4.45Å; L163-E171 HydrophobicContact CD2-CG 4.23Å; L163-I174 HydrophobicContact CD2-CB 4.01Å; L163-I174 HydrophobicContact CD2-CG1 4.08Å; L163-I174 HydrophobicContact CD2-CG2 3.87Å; L163-I174 HydrophobicContact CG-CB 4.48Å; L163-I174 HydrophobicContact CG-CG2 3.81Å |
| 164 | K | 92.6 | Very high | 94.5 | Very high | 150 Ų | 150 | 64.8 Ų | 64.8 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -74.7 | -22.6 | 174.7 | -69.7 | -177.2 | 179.7 | -155.8 | 0 | 113.6 | F146 R160 K161 L162 | F146-K164 HydrophobicContact CE1-CB 4.48Å; F146-K164 HydrophobicContact CE1-CD 4.23Å; R160-K164 WeakPolarHBondContact O-CG 3.38Å; K161-K164 WeakPolarHBondContact O-CB 3.49Å; K161-K164 PolarHBondContact O-N 2.93Å; K161-K164 VanDerWaalsContact O-N 3.14Å; L162-K164 PolarHBondContact O-N 2.94Å; L162-K164 VanDerWaalsContact O-N 3.14Å |
| 165 | L | 91.5 | Very high | 94.6 | Very high | 10 Ų | 10 | 62.9 Ų | 62.9 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -100.6 | -21.6 | 178.7 | -60.7 | 176.3 | 0 | 0 | 0 | 112.4 | L120 I122 P144 F146 L162 L163 F215 Y229 | L120-L165 HydrophobicContact CD1-CD1 4.25Å; I122-L165 HydrophobicContact CD1-CD1 3.73Å; P144-L165 HydrophobicContact CB-CD1 3.74Å; P144-L165 HydrophobicContact CG-CD1 4.18Å; F146-L165 HydrophobicContact CE2-CD1 4.01Å; F146-L165 HydrophobicContact CE2-CG 4.49Å; F146-L165 HydrophobicContact CZ-CD1 3.87Å; F146-L165 HydrophobicContact CZ-CD2 4.05Å; F146-L165 HydrophobicContact CZ-CG 3.86Å; L162-L165 CarbonylContact O-C 3.58Å; L162-L165 PolarHBondContact O-N 3.49Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L165-F215 HydrophobicContact CB-CD1 3.78Å; L165-F215 HydrophobicContact CB-CE1 4.05Å; L165-Y229 HydrophobicContact CD2-CE1 4.5Å; L165-Y229 HydrophobicContact CD2-CE2 3.72Å |
| 166 | N | 91.2 | Very high | 94.7 | Very high | 32 Ų | 32 | 65.2 Ų | 65.2 | 17% | 0.171 | 31% | 0.308 | C | S | . | . | trans | -61.1 | 135.9 | -179.9 | 179.4 | 45 | 0 | 0 | 0 | 111.3 | L162 Y168 C169 I174 C214 F215 | L162-N166 WeakPolarHBondContact O-CB 3.38Å; L162-N166 PolarHBondContact O-N 3.06Å; N166-Y168 PolarHBondContact OD1-N 2.89Å; N166-C169 PolarHBondContact ND2-O 3.01Å; N166-C169 WeakPolarHBondContact OD1-CB 3.44Å; N166-C169 PolarHBondContact OD1-N 3.07Å; N166-I174 HydrophobicContact CB-CD1 3.8Å; N166-I174 HydrophobicContact CB-CG1 4.22Å; N166-C214 PolarHBondContact OD1-O 2.73Å; N166-F215 HydrophobicContact CB-CE1 4.44Å | ||
| 167 | L | 89 | Confident | 94.7 | Very high | 92 Ų | 92 | 62 Ų | 62 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -117.7 | -30 | 178.7 | -67.3 | 175.8 | 0 | 0 | 0 | 113 | C214 | L167-C214 PolarHBondContact N-O 2.77Š|
| 168 | Y | 90.8 | Very high | 94.8 | Very high | 156 Ų | 156 | 61.7 Ų | 61.7 | 61% | 0.612 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -131.4 | -31.6 | -168.9 | -60.5 | -74.8 | 0 | 0 | 0 | 114.9 | N166 E213 | N166-Y168 PolarHBondContact OD1-N 2.89Å; Y168-E213 WeakPolarHBondContact CD2-O 3.42Å |
| 169 | C | 93.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 68.7 Ų | 68.7 | 10% | 0.101 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -77.4 | 154.2 | -172.6 | -71.1 | 0 | 0 | 0 | 0 | 112.6 | N166 E173 I174 C214 | N166-C169 PolarHBondContact ND2-O 3.01Å; N166-C169 WeakPolarHBondContact OD1-CB 3.44Å; N166-C169 PolarHBondContact OD1-N 3.07Å; C169-E173 HydrophobicContact CB-CB 4.14Å; C169-I174 HydrophobicContact CB-CD1 4.37Å; C169-I174 HydrophobicContact CB-CG1 4.35Å; C169-C214 HydrophobicContact CB-CB 3.65Å; C169-C214 WeakPolarHBondContact CB-SG 3.42Å; C169-C214 WeakPolarHBondContact SG-CA 3.49Å; C169-C214 WeakPolarHBondContact SG-CB 3.31Å; C169-C214 CovalentContact SG-SG 2.01Å; C169-C214 PolarHBondContact SG-SG 3.02Å |
| 170 | K | 95.3 | Very high | 94.6 | Very high | 150 Ų | 150 | 69.2 Ų | 69.2 | 65% | 0.652 | 34% | 0.338 | S | S | * | . | trans | -71.3 | 156.9 | 174.5 | -63.7 | 175 | -176.7 | 169.8 | 0 | 110.3 | S172 E173 I174 | K170-S172 PolarHBondContact O-N 2.92Å; K170-E173 HydrophobicContact CB-CG 4.46Å; K170-E173 WeakPolarHBondContact CB-OE2 3.35Å; K170-E173 PolarHBondContact N-OE2 2.83Å; K170-E173 PolarHBondContact O-N 3.48Å; K170-E173 VanDerWaalsContact O-N 3.1Å; K170-I174 PolarHBondContact O-N 3.29Å; K170-I174 VanDerWaalsContact O-N 3.12Å | ||
| 171 | E | 95.6 | Very high | 94.5 | Very high | 115 Ų | 115 | 65 Ų | 65 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59 | -31.7 | 176.9 | -173.9 | 177.4 | 162.8 | 0 | 0 | 112.8 | K159 L163 I174 S175 | K159-E171 WeakPolarHBondContact CE-OE1 3.17Å; K159-E171 IonicContact NZ-OE1 2.73Å; K159-E171 PolarHBondContact NZ-OE1 2.96Å; L163-E171 HydrophobicContact CD1-CG 4.3Å; L163-E171 HydrophobicContact CD2-CB 4.45Å; L163-E171 HydrophobicContact CD2-CG 4.23Å; E171-I174 PolarHBondContact O-N 2.98Å; E171-S175 WeakPolarHBondContact O-CB 3.44Å; E171-S175 PolarHBondContact O-N 3.15Å; E171-S175 PolarHBondContact O-OG 2.86Å |
| 172 | S | 95.8 | Very high | 94.6 | Very high | 67 Ų | 67 | 68.4 Ų | 68.4 | 47% | 0.469 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 175.5 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | K170 I174 S175 E176 | K170-S172 PolarHBondContact O-N 2.92Å; S172-I174 VanDerWaalsContact C-N 3.35Å; S172-I174 PolarHBondContact O-N 3.23Å; S172-S175 WeakPolarHBondContact O-CB 3.24Å; S172-S175 PolarHBondContact O-N 3.2Å; S172-S175 VanDerWaalsContact O-N 3.16Å; S172-E176 PolarHBondContact O-N 2.9Å |
| 173 | E | 95.3 | Very high | 94.6 | Very high | 68 Ų | 68 | 73.3 Ų | 73.3 | 32% | 0.318 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 178.1 | -64.6 | 168.8 | 121.5 | 0 | 0 | 110.5 | C169 K170 S175 E176 M177 | C169-E173 HydrophobicContact CB-CB 4.14Å; K170-E173 HydrophobicContact CB-CG 4.46Å; K170-E173 WeakPolarHBondContact CB-OE2 3.35Å; K170-E173 PolarHBondContact N-OE2 2.83Å; K170-E173 PolarHBondContact O-N 3.48Å; K170-E173 VanDerWaalsContact O-N 3.1Å; E173-S175 VanDerWaalsContact C-N 3.3Å; E173-S175 PolarHBondContact O-N 2.92Å; E173-E176 PolarHBondContact O-N 2.92Å; E173-M177 HydrophobicContact CB-CE 4.33Å; E173-M177 WeakPolarHBondContact O-CE 3.22Å; E173-M177 PolarHBondContact O-N 3.46Å |
| 174 | I | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -34.7 | 174.7 | -61.6 | -71.9 | 0 | 0 | 0 | 111.9 | K159 L162 L163 N166 C169 K170 E171 S172 M177 A178 F215 | K159-I174 HydrophobicContact CG-CG2 4.33Å; L162-I174 HydrophobicContact CB-CD1 4.46Å; L162-I174 HydrophobicContact CB-CG2 3.57Å; L162-I174 HydrophobicContact CD1-CG2 4.27Å; L163-I174 HydrophobicContact CD2-CB 4.01Å; L163-I174 HydrophobicContact CD2-CG1 4.08Å; L163-I174 HydrophobicContact CD2-CG2 3.87Å; L163-I174 HydrophobicContact CG-CB 4.48Å; L163-I174 HydrophobicContact CG-CG2 3.81Å; N166-I174 HydrophobicContact CB-CD1 3.8Å; N166-I174 HydrophobicContact CB-CG1 4.22Å; C169-I174 HydrophobicContact CB-CD1 4.37Å; C169-I174 HydrophobicContact CB-CG1 4.35Å; K170-I174 PolarHBondContact O-N 3.29Å; K170-I174 VanDerWaalsContact O-N 3.12Å; E171-I174 PolarHBondContact O-N 2.98Å; S172-I174 VanDerWaalsContact C-N 3.35Å; S172-I174 PolarHBondContact O-N 3.23Å; I174-M177 HydrophobicContact CD1-CE 3.58Å; I174-M177 HydrophobicContact CG1-CE 4.28Å; I174-M177 PolarHBondContact O-N 3.33Å; I174-A178 WeakPolarHBondContact O-CB 3.22Å; I174-A178 PolarHBondContact O-N 3.17Å; I174-F215 HydrophobicContact CD1-CE1 4.22Å; I174-F215 HydrophobicContact CD1-CZ 3.86Å |
| 175 | S | 96.8 | Very high | 94.8 | Very high | 26 Ų | 26 | 66.9 Ų | 66.9 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.9 | -55.6 | 0 | 0 | 0 | 0 | 111 | K159 E171 S172 E173 A178 K179 | K159-S175 WeakPolarHBondContact CD-OG 3.48Å; K159-S175 WeakPolarHBondContact CE-OG 3.4Å; K159-S175 PolarHBondContact NZ-OG 3.2Å; E171-S175 WeakPolarHBondContact O-CB 3.44Å; E171-S175 PolarHBondContact O-N 3.15Å; E171-S175 PolarHBondContact O-OG 2.86Å; S172-S175 WeakPolarHBondContact O-CB 3.24Å; S172-S175 PolarHBondContact O-N 3.2Å; S172-S175 VanDerWaalsContact O-N 3.16Å; E173-S175 VanDerWaalsContact C-N 3.3Å; E173-S175 PolarHBondContact O-N 2.92Å; S175-A178 PolarHBondContact O-N 3.32Å; S175-K179 WeakPolarHBondContact O-CB 3.2Å; S175-K179 PolarHBondContact O-N 3.37Å |
| 176 | E | 96 | Very high | 95 | Very high | 144 Ų | 144 | 70.8 Ų | 70.8 | 67% | 0.673 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 175.2 | -71.6 | 177.4 | 179.3 | 0 | 0 | 112 | S172 E173 A178 K179 G180 | S172-E176 PolarHBondContact O-N 2.9Å; E173-E176 PolarHBondContact O-N 2.92Å; E176-A178 PolarHBondContact O-N 3.47Å; E176-K179 PolarHBondContact O-N 2.96Å; E176-G180 PolarHBondContact O-N 3.08Å |
| 177 | M | 96.2 | Very high | 95.1 | Very high | 15 Ų | 15 | 70.4 Ų | 70.4 | 7% | 0.074 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 173.7 | -80.5 | -173.5 | -98.2 | 0 | 0 | 112.6 | L162 E173 I174 G180 G181 V207 H208 D209 C214 F215 | L162-M177 HydrophobicContact CD1-CB 4.23Å; E173-M177 HydrophobicContact CB-CE 4.33Å; E173-M177 WeakPolarHBondContact O-CE 3.22Å; E173-M177 PolarHBondContact O-N 3.46Å; I174-M177 HydrophobicContact CD1-CE 3.58Å; I174-M177 HydrophobicContact CG1-CE 4.28Å; I174-M177 PolarHBondContact O-N 3.33Å; M177-G180 PolarHBondContact O-N 3.11Å; M177-G181 PolarHBondContact O-N 2.64Å; M177-V207 HydrophobicContact CB-CG1 3.73Å; M177-V207 HydrophobicContact CG-CG1 4.28Å; M177-V207 HydrophobicContact SD-CG1 4.41Å; M177-H208 WeakPolarHBondContact CG-O 3.21Å; M177-D209 HydrophobicContact SD-CB 4.07Å; M177-C214 HydrophobicContact CE-CB 4.08Å; M177-C214 WeakPolarHBondContact CE-SG 3.2Å; M177-F215 HydrophobicContact SD-CE2 3.85Å; M177-F215 HydrophobicContact SD-CZ 4.23Å |
| 178 | A | 97.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E155 I158 K159 L162 I174 S175 E176 G180 G181 | E155-A178 HydrophobicContact CG-CB 4.23Å; I158-A178 HydrophobicContact CB-CB 4.3Å; I158-A178 HydrophobicContact CG2-CB 3.98Å; K159-A178 HydrophobicContact CB-CB 3.66Å; L162-A178 HydrophobicContact CD1-CB 4.08Å; I174-A178 WeakPolarHBondContact O-CB 3.22Å; I174-A178 PolarHBondContact O-N 3.17Å; S175-A178 PolarHBondContact O-N 3.32Å; E176-A178 PolarHBondContact O-N 3.47Å; A178-G180 VanDerWaalsContact C-N 3.31Å; A178-G180 PolarHBondContact O-N 3.38Å; A178-G181 PolarHBondContact O-N 3.21Å |
| 179 | K | 96.1 | Very high | 95.7 | Very high | 156 Ų | 156 | 58.6 Ų | 58.6 | 68% | 0.678 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.6 | -36.3 | 176.5 | -172.1 | 177.3 | 179.2 | -178 | 0 | 112.6 | E155 S175 E176 G181 | E155-K179 HydrophobicContact CG-CB 4.33Å; E155-K179 WeakPolarHBondContact OE1-CB 3.27Å; S175-K179 WeakPolarHBondContact O-CB 3.2Å; S175-K179 PolarHBondContact O-N 3.37Å; E176-K179 PolarHBondContact O-N 2.96Å; K179-G181 PolarHBondContact O-N 3.28Å |
| 180 | G | 93.3 | Very high | 95.6 | Very high | 53 Ų | 53 | 61.9 Ų | 61.9 | 55% | 0.546 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -2.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E176 M177 A178 | E176-G180 PolarHBondContact O-N 3.08Å; M177-G180 PolarHBondContact O-N 3.11Å; A178-G180 VanDerWaalsContact C-N 3.31Å; A178-G180 PolarHBondContact O-N 3.38Å |
| 181 | G | 95.3 | Very high | 95.5 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 25% | 0.247 | 30% | 0.3 | C | S | . | . | trans | -62.2 | 134.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M177 A178 K179 H206 | M177-G181 PolarHBondContact O-N 2.64Å; A178-G181 PolarHBondContact O-N 3.21Å; K179-G181 PolarHBondContact O-N 3.28Å; G181-H206 CarbonylContact C-O 3.54Å; G181-H206 VanDerWaalsContact CA-O 3.3Å; G181-H206 WeakPolarHBondContact CA-O 3.11Å | ||
| 182 | Q | 96.6 | Very high | 95.3 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 46% | 0.463 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 126.9 | -178.7 | -65.1 | -174.6 | -17.8 | 0 | 0 | 110.8 | Y184 V205 H206 | Q182-Y184 HydrophobicContact CB-CD1 3.94Å; Q182-Y184 HydrophobicContact CB-CE1 3.59Å; Q182-Y184 PolarHBondContact O-N 2.85Å; Q182-Y184 VanDerWaalsContact OE1-CE1 3.3Å; Q182-Y184 PolarHBondContact OE1-OH 3.15Å; Q182-V205 CarbonylContact O-C 3.6Å; Q182-H206 PolarHBondContact N-O 3.22Å; Q182-H206 PolarHBondContact O-N 3.34Å |
| 183 | Q | 95.8 | Very high | 95.2 | Very high | 103 Ų | 103 | 51.8 Ų | 51.8 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 108.3 | 171 | -68.5 | -174.9 | -15.7 | 0 | 0 | 109.3 | I153 V205 | I153-Q183 PolarHBondContact O-NE2 2.88Å; Q183-V205 HydrophobicContact CG-CG2 4.3Å |
| 184 | Y | 96.8 | Very high | 95.3 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 14% | 0.137 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -22.3 | 178.8 | -77.9 | 0.5 | 0 | 0 | 0 | 113 | L121 Q182 V204 H206 A240 R241 A244 Q245 | L121-Y184 HydrophobicContact CD2-CD2 4.17Å; L121-Y184 HydrophobicContact CD2-CE2 4.45Å; Q182-Y184 HydrophobicContact CB-CD1 3.94Å; Q182-Y184 HydrophobicContact CB-CE1 3.59Å; Q182-Y184 PolarHBondContact O-N 2.85Å; Q182-Y184 VanDerWaalsContact OE1-CE1 3.3Å; Q182-Y184 PolarHBondContact OE1-OH 3.15Å; Y184-V204 PolarHBondContact N-O 3.15Å; Y184-H206 HydrophobicContact CD1-CB 4.1Å; Y184-H206 HydrophobicContact CD2-CB 3.54Å; Y184-H206 HydrophobicContact CE1-CB 3.92Å; Y184-H206 HydrophobicContact CE2-CB 3.35Å; Y184-H206 AromaticContact CE2-CG 3.45Å; Y184-H206 VanDerWaalsContact CE2-CG 3.45Å; Y184-H206 AromaticContact CE2-ND1 3.78Å; Y184-H206 HydrophobicContact CG-CB 3.94Å; Y184-H206 AromaticContact CZ-CG 3.57Å; Y184-H206 AromaticContact CZ-ND1 3.41Å; Y184-H206 PolarHBondContact OH-ND1 2.63Å; Y184-A240 HydrophobicContact CE2-CB 3.88Å; Y184-R241 VanDerWaalsContact CD2-CA 3.47Å; Y184-R241 HydrophobicContact CD2-CB 3.93Å; Y184-R241 HydrophobicContact CD2-CG 4.38Å; Y184-R241 HydrophobicContact CE2-CB 3.87Å; Y184-R241 HydrophobicContact CG-CB 4.43Å; Y184-R241 HydrophobicContact CG-CG 4.44Å; Y184-A244 HydrophobicContact CD2-CB 3.93Å; Y184-A244 HydrophobicContact CG-CB 4.37Å; Y184-Q245 PolarHBondContact O-NE2 3.35Å |
| 185 | Y | 96 | Very high | 95.3 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 145.6 | 176.1 | 177.7 | -98 | 0 | 0 | 0 | 110.1 | Y188 L189 A203 V204 A248 | Y185-Y188 WeakPolarHBondContact CE1-O 3.19Å; Y185-Y188 PolarHBondContact OH-N 3.39Å; Y185-Y188 VanDerWaalsContact OH-N 3.15Å; Y185-Y188 PolarHBondContact OH-O 2.91Å; Y185-L189 HydrophobicContact CD1-CD2 3.65Å; Y185-L189 HydrophobicContact CE1-CD2 3.77Å; Y185-L189 HydrophobicContact CE1-CG 4.47Å; Y185-A203 CarbonylContact O-C 3.56Å; Y185-A203 WeakPolarHBondContact O-CA 3.34Å; Y185-A203 WeakPolarHBondContact O-CB 3.44Å; Y185-V204 HydrophobicContact CD1-CG2 4.38Å; Y185-V204 PolarHBondContact O-N 3.11Å; Y185-A248 HydrophobicContact CD1-CB 4.21Å; Y185-A248 HydrophobicContact CD2-CB 3.6Å; Y185-A248 HydrophobicContact CE1-CB 4.03Å; Y185-A248 HydrophobicContact CE2-CB 3.39Å; Y185-A248 HydrophobicContact CG-CB 4Å |
| 186 | T | 94.9 | Very high | 95.3 | Very high | 92 Ų | 92 | 48.5 Ų | 48.5 | 56% | 0.564 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 133.3 | 169.2 | -58.9 | 0 | 0 | 0 | 0 | 108.9 | G202 | T186-G202 CarbonylContact C-O 3.55Å; T186-G202 WeakPolarHBondContact CA-O 3.29Å |
| 187 | G | 94.6 | Very high | 95.4 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 24% | 0.237 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.7 | -148.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L189 D201 G202 | G187-L189 PolarHBondContact O-N 2.86Å; G187-D201 CarbonylContact O-C 3.49Å; G187-D201 WeakPolarHBondContact O-CA 3.38Å; G187-G202 PolarHBondContact N-O 2.99Å; G187-G202 PolarHBondContact O-N 2.86Å |
| 188 | Y | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 122.8 | 179.9 | -175.6 | -95.3 | 0 | 0 | 0 | 112.1 | N96 Y98 E99 Y185 N194 W199 D201 A249 | N96-Y188 PolarHBondContact ND2-OH 2.89Å; Y98-Y188 HydrophobicContact CD1-CD2 4.12Å; Y98-Y188 AromaticContact CD1-CG 3.9Å; Y98-Y188 HydrophobicContact CD1-CG 3.9Å; Y98-Y188 AromaticContact CD2-CD2 3.07Å; Y98-Y188 HydrophobicContact CD2-CD2 3.07Å; Y98-Y188 AromaticContact CD2-CE2 3.53Å; Y98-Y188 HydrophobicContact CD2-CE2 3.53Å; Y98-Y188 AromaticContact CD2-CG 3.74Å; Y98-Y188 HydrophobicContact CD2-CG 3.74Å; Y98-Y188 HydrophobicContact CE1-CG 4.4Å; Y98-Y188 AromaticContact CE2-CD2 3.61Å; Y98-Y188 HydrophobicContact CE2-CD2 3.61Å; Y98-Y188 HydrophobicContact CE2-CE2 4.39Å; Y98-Y188 HydrophobicContact CE2-CG 4.23Å; Y98-Y188 HydrophobicContact CG-CD1 4.18Å; Y98-Y188 AromaticContact CG-CD2 3.34Å; Y98-Y188 HydrophobicContact CG-CD2 3.34Å; Y98-Y188 AromaticContact CG-CE2 3.82Å; Y98-Y188 HydrophobicContact CG-CE2 3.82Å; Y98-Y188 AromaticContact CG-CG 3.52Å; Y98-Y188 HydrophobicContact CG-CG 3.52Å; E99-Y188 WeakPolarHBondContact CG-OH 3.33Å; E99-Y188 WeakPolarHBondContact OE1-CE1 3.26Å; E99-Y188 PolarHBondContact OE1-OH 3.12Å; Y185-Y188 WeakPolarHBondContact CE1-O 3.19Å; Y185-Y188 PolarHBondContact OH-N 3.39Å; Y185-Y188 VanDerWaalsContact OH-N 3.15Å; Y185-Y188 PolarHBondContact OH-O 2.91Å; Y188-N194 PolarHBondContact OH-ND2 3Å; Y188-W199 HydrophobicContact CD2-CB 4.21Å; Y188-W199 AromaticContact CD2-CD1 3.54Å; Y188-W199 HydrophobicContact CD2-CG 4.02Å; Y188-W199 HydrophobicContact CE2-CB 3.42Å; Y188-W199 VanDerWaalsContact CE2-CB 3.42Å; Y188-W199 AromaticContact CE2-CD1 3.61Å; Y188-W199 AromaticContact CE2-CG 3.58Å; Y188-W199 HydrophobicContact CE2-CG 3.58Å; Y188-D201 WeakPolarHBondContact CA-OD1 3.06Å; Y188-A249 HydrophobicContact CD1-CB 3.59Å; Y188-A249 WeakPolarHBondContact CD1-O 3.24Å; Y188-A249 HydrophobicContact CE1-CB 3.75Å; Y188-A249 PolarHBondContact O-N 3.42Å |
| 189 | L | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.8 | -177.4 | -67 | 172.5 | 0 | 0 | 0 | 110.4 | Y119 Y185 G187 N191 N194 V200 V204 F247 | Y119-L189 HydrophobicContact CD1-CD1 3.77Å; Y119-L189 HydrophobicContact CE1-CD1 3.69Å; Y119-L189 HydrophobicContact CE2-CB 4.45Å; Y119-L189 HydrophobicContact CE2-CD1 4.49Å; Y119-L189 HydrophobicContact CG-CD1 4.21Å; Y185-L189 HydrophobicContact CD1-CD2 3.65Å; Y185-L189 HydrophobicContact CE1-CD2 3.77Å; Y185-L189 HydrophobicContact CE1-CG 4.47Å; G187-L189 PolarHBondContact O-N 2.86Å; L189-N191 PolarHBondContact O-N 2.94Å; L189-N194 PolarHBondContact O-ND2 3.29Å; L189-V200 HydrophobicContact CB-CB 4.3Å; L189-V200 HydrophobicContact CB-CG1 4.02Å; L189-V200 HydrophobicContact CD1-CG1 3.99Å; L189-V200 PolarHBondContact N-O 2.87Å; L189-V204 HydrophobicContact CD2-CG2 3.72Å; L189-F247 WeakPolarHBondContact CA-O 3.39Å |
| 190 | K | 92.4 | Very high | 95.4 | Very high | 83 Ų | 83 | 35.1 Ų | 35.1 | 36% | 0.361 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -57.5 | 124.8 | 165.9 | -71.1 | -174.1 | -170.6 | 145.5 | 0 | 108.8 | Y119 T246 F247 A248 A249 | Y119-K190 PolarHBondContact OH-O 3.18Å; K190-T246 WeakPolarHBondContact CD-O 2.84Å; K190-T246 PolarHBondContact NZ-O 2.9Å; K190-T246 VanDerWaalsContact NZ-O 3.08Å; K190-F247 PolarHBondContact N-O 2.96Å; K190-A248 WeakPolarHBondContact CE-O 3.25Å; K190-A248 PolarHBondContact NZ-O 2.99Å; K190-A249 HydrophobicContact CD-CB 4.18Å; K190-A249 HydrophobicContact CG-CB 3.36Å |
| 191 | N | 93 | Very high | 95.5 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | trans | -148.3 | 135.2 | 173.8 | -163.6 | -67.6 | 0 | 0 | 0 | 108.6 | Y119 R145 L189 E193 N194 V200 | Y119-N191 PolarHBondContact OH-ND2 2.92Å; R145-N191 PolarHBondContact NH1-ND2 2.93Å; L189-N191 PolarHBondContact O-N 2.94Å; N191-E193 PolarHBondContact O-N 3.33Å; N191-E193 VanDerWaalsContact OD1-CB 3.27Å; N191-E193 WeakPolarHBondContact OD1-CB 3.38Å; N191-E193 PolarHBondContact OD1-N 2.87Å; N191-N194 WeakPolarHBondContact CB-OD1 3.39Å; N191-N194 PolarHBondContact N-ND2 2.82Å; N191-N194 VanDerWaalsContact O-CB 3.32Å; N191-N194 WeakPolarHBondContact O-CB 3.35Å; N191-N194 PolarHBondContact O-N 2.84Å; N191-V200 HydrophobicContact CB-CB 4.25Å; N191-V200 HydrophobicContact CB-CG2 3.75Å | ||
| 192 | K | 91.2 | Very high | 95.5 | Very high | 66 Ų | 66 | 33 Ų | 33 | 29% | 0.287 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22.3 | 177.6 | -69.9 | -151.2 | 176.9 | 173.8 | 0 | 113.3 | P47 D139 Y140 N194 | P47-K192 WeakPolarHBondContact CD-O 3.26Å; P47-K192 HydrophobicContact CG-CB 3.55Å; P47-K192 WeakPolarHBondContact CG-O 3.35Å; D139-K192 PolarHBondContact O-NZ 3.45Å; D139-K192 IonicContact OD1-NZ 2.89Å; D139-K192 IonicContact OD2-NZ 3.15Å; D139-K192 PolarHBondContact OD2-NZ 2.88Å; Y140-K192 VanDerWaalsContact CB-CE 3.41Å; Y140-K192 HydrophobicContact CD1-CD 3.39Å; Y140-K192 HydrophobicContact CD1-CG 4.06Å; Y140-K192 HydrophobicContact CD2-CD 4.34Å; Y140-K192 HydrophobicContact CD2-CG 4.15Å; Y140-K192 HydrophobicContact CE1-CD 3.56Å; Y140-K192 HydrophobicContact CE1-CG 4.07Å; Y140-K192 HydrophobicContact CE2-CD 4.47Å; Y140-K192 HydrophobicContact CE2-CG 4.14Å; Y140-K192 HydrophobicContact CG-CD 3.83Å; Y140-K192 HydrophobicContact CG-CG 4.12Å; K192-N194 VanDerWaalsContact C-N 3.3Å |
| 193 | E | 93.9 | Very high | 95.5 | Very high | 30 Ų | 30 | 28.3 Ų | 28.3 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -5.4 | 178.1 | -57.2 | 173.4 | 144.1 | 0 | 0 | 112.6 | Y46 K108 L109 R145 N191 | Y46-E193 WeakPolarHBondContact OH-CA 3.42Å; Y46-E193 PolarHBondContact OH-O 2.89Å; K108-E193 HydrophobicContact CB-CG 4.46Å; L109-E193 HydrophobicContact CD2-CB 3.92Å; L109-E193 HydrophobicContact CG-CB 4.18Å; R145-E193 IonicContact CZ-OE2 2.59Å; R145-E193 VanDerWaalsContact CZ-OE2 3.26Å; R145-E193 IonicContact NH1-OE2 2.57Å; R145-E193 PolarHBondContact NH1-OE2 2.88Å; R145-E193 IonicContact NH2-OE1 3.52Å; R145-E193 IonicContact NH2-OE2 3.87Å; R145-E193 PolarHBondContact NH2-OE2 3.06Å; N191-E193 PolarHBondContact O-N 3.33Å; N191-E193 VanDerWaalsContact OD1-CB 3.27Å; N191-E193 WeakPolarHBondContact OD1-CB 3.38Å; N191-E193 PolarHBondContact OD1-N 2.87Å |
| 194 | N | 96.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.011 | 12% | 0.121 | C | C | . | . | trans | -58.7 | 142.6 | 172.8 | -70.6 | -14.2 | 0 | 0 | 0 | 109.8 | T101 Y188 L189 N191 K192 W199 V200 | T101-N194 HydrophobicContact CG2-CB 4.15Å; Y188-N194 PolarHBondContact OH-ND2 3Å; L189-N194 PolarHBondContact O-ND2 3.29Å; N191-N194 WeakPolarHBondContact CB-OD1 3.39Å; N191-N194 PolarHBondContact N-ND2 2.82Å; N191-N194 VanDerWaalsContact O-CB 3.32Å; N191-N194 WeakPolarHBondContact O-CB 3.35Å; N191-N194 PolarHBondContact O-N 2.84Å; K192-N194 VanDerWaalsContact C-N 3.3Å; N194-W199 HydrophobicContact CB-CB 4.48Å; N194-W199 WeakPolarHBondContact OD1-CA 3.49Å; N194-V200 PolarHBondContact OD1-N 3.27Å | ||
| 195 | T | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -130 | 176.3 | 178.5 | 62.7 | 0 | 0 | 0 | 0 | 109.2 | Y46 N96 T101 F103 G105 N197 A198 | Y46-T195 HydrophobicContact CE2-CG2 3.73Å; N96-T195 WeakPolarHBondContact CB-O 3.24Å; N96-T195 PolarHBondContact ND2-O 3.07Å; T101-T195 VanDerWaalsContact CG2-C 3.42Å; T101-T195 WeakPolarHBondContact CG2-O 3.16Å; T101-T195 WeakPolarHBondContact OG1-CA 3.34Å; F103-T195 HydrophobicContact CD1-CG2 3.8Å; F103-T195 CarbonylContact O-C 3.49Å; F103-T195 WeakPolarHBondContact O-CA 3.38Å; F103-T195 WeakPolarHBondContact O-CB 3.38Å; G105-T195 WeakPolarHBondContact O-CB 3.4Å; G105-T195 PolarHBondContact O-OG1 2.86Å; T195-N197 PolarHBondContact O-N 3.23Å; T195-N197 PolarHBondContact OG1-N 3.48Å; T195-A198 PolarHBondContact N-O 3.14Å; T195-A198 WeakPolarHBondContact OG1-CA 3.27Å; T195-A198 WeakPolarHBondContact OG1-CB 3.44Å; T195-A198 PolarHBondContact OG1-N 3.28Å; T195-A198 PolarHBondContact OG1-O 3.34Å | ||
| 196 | D | 97.1 | Very high | 95.8 | Very high | 22 Ų | 22 | 20.9 Ų | 20.9 | 12% | 0.118 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -67.8 | -10.4 | 173.6 | -65.3 | -7.3 | 0 | 0 | 0 | 112.2 | Y70 N96 T101 F103 | Y70-D196 WeakPolarHBondContact CE1-OD2 3.36Å; Y70-D196 VanDerWaalsContact CZ-OD2 3.31Å; Y70-D196 PolarHBondContact OH-OD1 3.21Å; Y70-D196 PolarHBondContact OH-OD2 2.86Å; N96-D196 WeakPolarHBondContact CB-O 3.35Å; N96-D196 PolarHBondContact N-O 3.21Å; T101-D196 PolarHBondContact N-OD1 2.77Å; T101-D196 PolarHBondContact OG1-N 2.93Å; T101-D196 PolarHBondContact OG1-OD1 3.06Å; F103-D196 PolarHBondContact O-N 2.71Å |
| 197 | N | 97.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 16.5 Ų | 16.5 | 8% | 0.08 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -132.9 | -5.4 | -173.8 | -48.3 | 104.8 | 0 | 0 | 0 | 115.6 | W93 F94 S104 G105 Y112 G113 T195 | W93-N197 HydrophobicContact CB-CB 4.06Å; W93-N197 HydrophobicContact CE3-CB 4.4Å; F94-N197 WeakPolarHBondContact O-CA 3.32Å; F94-N197 VanDerWaalsContact O-CB 3.26Å; F94-N197 WeakPolarHBondContact O-CB 3.44Å; F94-N197 PolarHBondContact O-ND2 2.92Å; S104-N197 WeakPolarHBondContact CA-OD1 3.22Å; S104-N197 WeakPolarHBondContact CB-OD1 3.47Å; G105-N197 PolarHBondContact N-OD1 3.14Å; G105-N197 WeakPolarHBondContact O-CB 3.1Å; Y112-N197 HydrophobicContact CD1-CB 3.95Å; Y112-N197 HydrophobicContact CE1-CB 4.26Å; G113-N197 PolarHBondContact N-O 2.82Å; T195-N197 PolarHBondContact O-N 3.23Å; T195-N197 PolarHBondContact OG1-N 3.48Å |
| 198 | A | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 133.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | K106 L109 Q111 G113 T195 | K106-A198 HydrophobicContact CG-CB 4.38Å; L109-A198 HydrophobicContact CB-CB 4.06Å; L109-A198 HydrophobicContact CD1-CB 3.73Å; L109-A198 VanDerWaalsContact CD1-O 3.26Å; L109-A198 WeakPolarHBondContact CD1-O 3.48Å; L109-A198 HydrophobicContact CG-CB 4.47Å; Q111-A198 WeakPolarHBondContact O-CB 3.42Å; G113-A198 WeakPolarHBondContact O-CA 3.47Å; T195-A198 PolarHBondContact N-O 3.14Å; T195-A198 WeakPolarHBondContact OG1-CA 3.27Å; T195-A198 WeakPolarHBondContact OG1-CB 3.44Å; T195-A198 PolarHBondContact OG1-N 3.28Å; T195-A198 PolarHBondContact OG1-O 3.34Å |
| 199 | W | 97.3 | Very high | 95.9 | Very high | 22 Ų | 22 | 19.3 Ų | 19.3 | 8% | 0.083 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 168.6 | -177.8 | 60.5 | 92 | 0 | 0 | 0 | 112.7 | F94 K95 N96 Y98 G113 A114 N115 Y188 N194 D201 | F94-W199 HydrophobicContact CB-CH2 4.29Å; F94-W199 HydrophobicContact CB-CZ3 4.24Å; K95-W199 WeakPolarHBondContact O-CH2 3.41Å; N96-W199 VanDerWaalsContact CA-CZ3 3.44Å; N96-W199 HydrophobicContact CB-CD2 4.41Å; N96-W199 HydrophobicContact CB-CE3 3.65Å; N96-W199 HydrophobicContact CB-CZ3 3.94Å; Y98-W199 AromaticContact CE2-NE1 3.74Å; G113-W199 PolarHBondContact O-N 3.12Å; A114-W199 CarbonylContact C-O 3.54Å; A114-W199 HydrophobicContact CB-CZ2 4.32Å; N115-W199 WeakPolarHBondContact CB-O 3.32Å; N115-W199 PolarHBondContact N-O 2.6Å; N115-W199 PolarHBondContact ND2-O 3.07Å; Y188-W199 HydrophobicContact CD2-CB 4.21Å; Y188-W199 AromaticContact CD2-CD1 3.54Å; Y188-W199 HydrophobicContact CD2-CG 4.02Å; Y188-W199 HydrophobicContact CE2-CB 3.42Å; Y188-W199 VanDerWaalsContact CE2-CB 3.42Å; Y188-W199 AromaticContact CE2-CD1 3.61Å; Y188-W199 AromaticContact CE2-CG 3.58Å; Y188-W199 HydrophobicContact CE2-CG 3.58Å; N194-W199 HydrophobicContact CB-CB 4.48Å; N194-W199 WeakPolarHBondContact OD1-CA 3.49Å; W199-D201 PolarHBondContact NE1-OD2 3.27Å |
| 200 | V | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.1 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | L109 N115 A117 Y119 W147 L189 N191 N194 | L109-V200 HydrophobicContact CD2-CG2 3.95Å; N115-V200 WeakPolarHBondContact O-CA 2.83Å; A117-V200 HydrophobicContact CB-CG1 3.68Å; Y119-V200 HydrophobicContact CE1-CG1 4.12Å; W147-V200 HydrophobicContact CH2-CG2 3.75Å; W147-V200 HydrophobicContact CZ3-CG1 4.27Å; W147-V200 HydrophobicContact CZ3-CG2 3.91Å; L189-V200 HydrophobicContact CB-CB 4.3Å; L189-V200 HydrophobicContact CB-CG1 4.02Å; L189-V200 HydrophobicContact CD1-CG1 3.99Å; L189-V200 PolarHBondContact N-O 2.87Å; N191-V200 HydrophobicContact CB-CB 4.25Å; N191-V200 HydrophobicContact CB-CG2 3.75Å; N194-V200 PolarHBondContact OD1-N 3.27Å |
| 201 | D | 95.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 22.8 Ų | 22.8 | 13% | 0.134 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 152.4 | 164.1 | -77.5 | -24 | 0 | 0 | 0 | 108.5 | A114 N115 L116 A117 G187 Y188 W199 | A114-D201 HydrophobicContact CB-CB 4.27Å; A114-D201 VanDerWaalsContact CB-OD2 3.24Å; A114-D201 WeakPolarHBondContact CB-OD2 3.21Å; N115-D201 PolarHBondContact O-N 3.49Å; N115-D201 VanDerWaalsContact O-O 3.06Å; L116-D201 CarbonylContact C-O 3.58Å; L116-D201 WeakPolarHBondContact CA-O 3.48Å; L116-D201 HydrophobicContact CD2-CB 4.19Å; A117-D201 PolarHBondContact N-O 2.81Å; G187-D201 CarbonylContact O-C 3.49Å; G187-D201 WeakPolarHBondContact O-CA 3.38Å; Y188-D201 WeakPolarHBondContact CA-OD1 3.06Å; W199-D201 PolarHBondContact NE1-OD2 3.27Å |
| 202 | G | 95.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 8% | 0.082 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.2 | -154.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A117 T186 G187 | A117-G202 WeakPolarHBondContact O-CA 3.23Å; T186-G202 CarbonylContact C-O 3.55Å; T186-G202 WeakPolarHBondContact CA-O 3.29Å; G187-G202 PolarHBondContact N-O 2.99Å; G187-G202 PolarHBondContact O-N 2.86Å |
| 203 | A | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 148.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A117 Y119 I153 Y185 V205 | A117-A203 PolarHBondContact O-N 2.99Å; Y119-A203 PolarHBondContact N-O 3.46Å; I153-A203 HydrophobicContact CD1-CB 3.69Å; Y185-A203 CarbonylContact O-C 3.56Å; Y185-A203 WeakPolarHBondContact O-CA 3.34Å; Y185-A203 WeakPolarHBondContact O-CB 3.44Å; A203-V205 HydrophobicContact CB-CG2 4.3Å |
| 204 | V | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112 | 162.6 | -173.7 | 0 | 0 | 0 | 0 | 107.6 | Y119 L121 L143 Y184 Y185 L189 A244 F247 | Y119-V204 WeakPolarHBondContact O-CA 3.34Å; L121-V204 HydrophobicContact CB-CG1 4.01Å; L143-V204 HydrophobicContact CD1-CG1 3.94Å; Y184-V204 PolarHBondContact N-O 3.15Å; Y185-V204 HydrophobicContact CD1-CG2 4.38Å; Y185-V204 PolarHBondContact O-N 3.11Å; L189-V204 HydrophobicContact CD2-CG2 3.72Å; V204-A244 HydrophobicContact CB-CB 4.31Å; V204-A244 HydrophobicContact CG1-CB 3.73Å; V204-F247 HydrophobicContact CG2-CB 4.1Å |
| 205 | V | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116 | -179.1 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | Y119 L120 L121 I153 I158 Q182 Q183 A203 V207 | Y119-V205 PolarHBondContact O-N 3.05Å; L120-V205 HydrophobicContact CD2-CB 4.13Å; L121-V205 PolarHBondContact N-O 3.45Å; I153-V205 HydrophobicContact CG2-CG2 3.8Å; I158-V205 HydrophobicContact CD1-CG1 3.69Å; I158-V205 HydrophobicContact CG1-CG1 4.1Å; Q182-V205 CarbonylContact O-C 3.6Å; Q183-V205 HydrophobicContact CG-CG2 4.3Å; A203-V205 HydrophobicContact CB-CG2 4.3Å; V205-V207 HydrophobicContact CG1-CG2 4.35Å |
| 206 | H | 98.1 | Very high | 93.8 | Very high | 23 Ų | 23 | 24.7 Ų | 24.7 | 11% | 0.106 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132.3 | 172.3 | 175.4 | -115.6 | 0 | 0 | 0 | 110.9 | L121 T123 G181 Q182 Y184 | L121-H206 HydrophobicContact CD2-CB 4.38Å; L121-H206 WeakPolarHBondContact O-CA 3.43Å; L121-H206 PolarHBondContact O-CD2 2.7Å; T123-H206 WeakPolarHBondContact CG2-NE2 3.49Å; T123-H206 PolarHBondContact OG1-NE2 3.08Å; G181-H206 CarbonylContact C-O 3.54Å; G181-H206 VanDerWaalsContact CA-O 3.3Å; G181-H206 WeakPolarHBondContact CA-O 3.11Å; Q182-H206 PolarHBondContact N-O 3.22Å; Q182-H206 PolarHBondContact O-N 3.34Å; Y184-H206 HydrophobicContact CD1-CB 4.1Å; Y184-H206 HydrophobicContact CD2-CB 3.54Å; Y184-H206 HydrophobicContact CE1-CB 3.92Å; Y184-H206 HydrophobicContact CE2-CB 3.35Å; Y184-H206 AromaticContact CE2-CG 3.45Å; Y184-H206 VanDerWaalsContact CE2-CG 3.45Å; Y184-H206 AromaticContact CE2-ND1 3.78Å; Y184-H206 HydrophobicContact CG-CB 3.94Å; Y184-H206 AromaticContact CZ-CG 3.57Å; Y184-H206 AromaticContact CZ-ND1 3.41Å; Y184-H206 PolarHBondContact OH-ND1 2.63Å |
| 207 | V | 97.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 132.5 | 171.9 | 177.2 | 0 | 0 | 0 | 0 | 107.3 | L121 I122 T123 I158 L162 M177 V205 | L121-V207 PolarHBondContact O-N 3.36Å; I122-V207 CarbonylContact C-O 3.49Å; I122-V207 VanDerWaalsContact CA-O 3.29Å; I122-V207 WeakPolarHBondContact CA-O 3.41Å; T123-V207 PolarHBondContact N-O 3.45Å; I158-V207 HydrophobicContact CG2-CG2 4.03Å; L162-V207 HydrophobicContact CD1-CG1 3.89Å; L162-V207 HydrophobicContact CD1-CG2 4.19Å; L162-V207 HydrophobicContact CD2-CB 4.32Å; L162-V207 HydrophobicContact CD2-CG1 4.14Å; L162-V207 HydrophobicContact CD2-CG2 4.3Å; M177-V207 HydrophobicContact CB-CG1 3.73Å; M177-V207 HydrophobicContact CG-CG1 4.28Å; M177-V207 HydrophobicContact SD-CG1 4.41Å; V205-V207 HydrophobicContact CG1-CG2 4.35Å |
| 208 | H | 96.3 | Very high | 91.6 | Very high | 82 Ų | 82 | 30.3 Ų | 30.3 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.6 | 174.4 | -178 | 38.2 | 0 | 0 | 0 | 110 | T123 M177 P210 | T123-H208 PolarHBondContact O-ND1 3.22Å; T123-H208 PolarHBondContact OG1-ND1 2.94Å; M177-H208 WeakPolarHBondContact CG-O 3.21Å; H208-P210 VanDerWaalsContact O-CD 3.27Å; H208-P210 WeakPolarHBondContact O-CD 3.5Å |
| 209 | D | 95.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -88.7 | 106.1 | 165.7 | 174.2 | 3.1 | 0 | 0 | 0 | 109.1 | T123 I124 M177 T211 G212 E213 C214 F215 | T123-D209 PolarHBondContact O-N 3.42Å; I124-D209 HydrophobicContact CG2-CB 3.79Å; M177-D209 HydrophobicContact SD-CB 4.07Å; D209-T211 VanDerWaalsContact C-N 3.3Å; D209-T211 WeakPolarHBondContact OD1-CB 3.44Å; D209-T211 PolarHBondContact OD1-N 2.94Å; D209-T211 PolarHBondContact OD1-OG1 3.09Å; D209-G212 PolarHBondContact OD1-N 2.85Å; D209-G212 VanDerWaalsContact OD1-N 3.09Å; D209-E213 PolarHBondContact OD2-N 2.91Å; D209-C214 PolarHBondContact OD1-SG 2.89Å; D209-C214 VanDerWaalsContact OD1-SG 3.33Å; D209-C214 VanDerWaalsContact OD2-CB 3.3Å; D209-C214 WeakPolarHBondContact OD2-CB 3.47Å; D209-C214 PolarHBondContact OD2-N 3.47Å; D209-F215 HydrophobicContact CB-CD2 3.87Å; D209-F215 HydrophobicContact CB-CE2 3.89Å | ||
| 210 | P | 91.7 | Very high | 88.9 | Confident | 98 Ų | 98 | 32.5 Ų | 32.5 | 64% | 0.636 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -74.5 | -20.5 | -179 | 31.3 | -35.9 | 0 | 0 | 0 | 112.9 | H208 | H208-P210 VanDerWaalsContact O-CD 3.27Å; H208-P210 WeakPolarHBondContact O-CD 3.5Å |
| 211 | T | 88.5 | Confident | 87.1 | Confident | 59 Ų | 59 | 38.4 Ų | 38.4 | 36% | 0.362 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -78.9 | -31.4 | 179.8 | 71.7 | 0 | 0 | 0 | 0 | 111 | D209 E213 C214 | D209-T211 VanDerWaalsContact C-N 3.3Å; D209-T211 WeakPolarHBondContact OD1-CB 3.44Å; D209-T211 PolarHBondContact OD1-N 2.94Å; D209-T211 PolarHBondContact OD1-OG1 3.09Å; T211-E213 PolarHBondContact O-N 2.79Å; T211-E213 PolarHBondContact OG1-N 3.33Å; T211-C214 PolarHBondContact OG1-N 2.92Å; T211-C214 PolarHBondContact OG1-SG 2.86Å |
| 212 | G | 89.6 | Confident | 85.1 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 77.4 | 1.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | D209 | D209-G212 PolarHBondContact OD1-N 2.85Å; D209-G212 VanDerWaalsContact OD1-N 3.09Å |
| 213 | E | 87.7 | Confident | 83.2 | Confident | 138 Ų | 138 | 46 Ų | 46 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | trans | -119.1 | -23.3 | -168.5 | -63.3 | -174.9 | 165.2 | 0 | 0 | 113.2 | Y168 D209 T211 F215 G216 | Y168-E213 WeakPolarHBondContact CD2-O 3.42Å; D209-E213 PolarHBondContact OD2-N 2.91Å; T211-E213 PolarHBondContact O-N 2.79Å; T211-E213 PolarHBondContact OG1-N 3.33Å; E213-F215 VanDerWaalsContact C-N 3.26Å; E213-F215 PolarHBondContact O-N 3.05Å; E213-F215 VanDerWaalsContact O-N 3.15Å; E213-G216 PolarHBondContact O-N 3.35Å | ||
| 214 | C | 91.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -37.9 | -169.8 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | N166 L167 C169 M177 D209 T211 | N166-C214 PolarHBondContact OD1-O 2.73Å; L167-C214 PolarHBondContact N-O 2.77Å; C169-C214 HydrophobicContact CB-CB 3.65Å; C169-C214 WeakPolarHBondContact CB-SG 3.42Å; C169-C214 WeakPolarHBondContact SG-CA 3.49Å; C169-C214 WeakPolarHBondContact SG-CB 3.31Å; C169-C214 CovalentContact SG-SG 2.01Å; C169-C214 PolarHBondContact SG-SG 3.02Å; M177-C214 HydrophobicContact CE-CB 4.08Å; M177-C214 WeakPolarHBondContact CE-SG 3.2Å; D209-C214 PolarHBondContact OD1-SG 2.89Å; D209-C214 VanDerWaalsContact OD1-SG 3.33Å; D209-C214 VanDerWaalsContact OD2-CB 3.3Å; D209-C214 WeakPolarHBondContact OD2-CB 3.47Å; D209-C214 PolarHBondContact OD2-N 3.47Å; T211-C214 PolarHBondContact OG1-N 2.92Å; T211-C214 PolarHBondContact OG1-SG 2.86Å |
| 215 | F | 89.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 36.8 | -174.5 | -54.3 | -74.6 | 0 | 0 | 0 | 112.7 | I122 L133 L162 L165 N166 I174 M177 D209 E213 Y218 W231 | I122-F215 HydrophobicContact CD1-CD1 4.1Å; I122-F215 HydrophobicContact CD1-CD2 4.42Å; I122-F215 HydrophobicContact CD1-CE1 4.05Å; I122-F215 HydrophobicContact CD1-CE2 4.35Å; I122-F215 HydrophobicContact CD1-CG 4.29Å; I122-F215 HydrophobicContact CD1-CZ 4.18Å; I122-F215 HydrophobicContact CG2-CD2 3.45Å; I122-F215 VanDerWaalsContact CG2-CD2 3.45Å; I122-F215 HydrophobicContact CG2-CE2 3.69Å; I122-F215 HydrophobicContact CG2-CG 4.09Å; L133-F215 HydrophobicContact CD2-CB 4.33Å; L162-F215 HydrophobicContact CB-CE1 4.31Å; L162-F215 HydrophobicContact CB-CZ 4.23Å; L162-F215 HydrophobicContact CD2-CE1 4.07Å; L162-F215 HydrophobicContact CD2-CZ 3.68Å; L162-F215 HydrophobicContact CG-CZ 4.44Å; L165-F215 HydrophobicContact CB-CD1 3.78Å; L165-F215 HydrophobicContact CB-CE1 4.05Å; N166-F215 HydrophobicContact CB-CE1 4.44Å; I174-F215 HydrophobicContact CD1-CE1 4.22Å; I174-F215 HydrophobicContact CD1-CZ 3.86Å; M177-F215 HydrophobicContact SD-CE2 3.85Å; M177-F215 HydrophobicContact SD-CZ 4.23Å; D209-F215 HydrophobicContact CB-CD2 3.87Å; D209-F215 HydrophobicContact CB-CE2 3.89Å; E213-F215 VanDerWaalsContact C-N 3.26Å; E213-F215 PolarHBondContact O-N 3.05Å; E213-F215 VanDerWaalsContact O-N 3.15Å; F215-Y218 WeakPolarHBondContact O-CD2 3.41Å; F215-Y218 WeakPolarHBondContact O-CE2 3.15Å; F215-W231 HydrophobicContact CB-CZ2 4.25Å |
| 216 | G | 75.6 | Confident | 76.8 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | trans | 89.3 | 154.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | E213 Y218 W231 | E213-G216 PolarHBondContact O-N 3.35Å; G216-Y218 PolarHBondContact O-N 3.01Å; G216-W231 PolarHBondContact O-NE1 3.34Å | ||
| 217 | P | 72.6 | Confident | 75.1 | Confident | 107 Ų | 107 | 70.2 Ų | 70.2 | 70% | 0.695 | 37% | 0.369 | S | S | * | . | trans | -78.5 | 50.5 | 165.6 | 37.9 | -37.4 | 0 | 0 | 0 | 109.7 | ||||
| 218 | Y | 75.4 | Confident | 74.3 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 18% | 0.184 | 39% | 0.393 | C | S | . | . | trans | -58.3 | 142.5 | 175.1 | -68.4 | -59.8 | 0 | 0 | 0 | 109.1 | L133 F215 G216 Y229 W231 | L133-Y218 HydrophobicContact CD1-CD2 3.35Å; L133-Y218 HydrophobicContact CD1-CE2 3.81Å; L133-Y218 HydrophobicContact CD1-CG 4.18Å; L133-Y218 HydrophobicContact CD2-CE2 4.4Å; F215-Y218 WeakPolarHBondContact O-CD2 3.41Å; F215-Y218 WeakPolarHBondContact O-CE2 3.15Å; G216-Y218 PolarHBondContact O-N 3.01Å; Y218-Y229 VanDerWaalsContact CD1-O 3.24Å; Y218-Y229 WeakPolarHBondContact CD1-O 3.44Å; Y218-Y229 HydrophobicContact CE1-CD2 4.42Å; Y218-W231 VanDerWaalsContact O-CD1 3.24Å | ||
| 219 | P | 71.4 | Confident | 73.9 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 17% | 0.169 | 38% | 0.377 | C | S | . | . | trans | -64.7 | 145.6 | -178.8 | 27.6 | -33.1 | 0 | 0 | 0 | 109.8 | H221 V224 S226 R230 W231 | P219-H221 VanDerWaalsContact C-N 3.34Å; P219-H221 WeakPolarHBondContact CB-O 3.37Å; P219-V224 HydrophobicContact CB-CB 4Å; P219-V224 HydrophobicContact CB-CG1 4.43Å; P219-V224 HydrophobicContact CG-CB 4.37Å; P219-V224 WeakPolarHBondContact CG-O 3Å; P219-S226 WeakPolarHBondContact CD-OG 3.43Å; P219-S226 VanDerWaalsContact CG-OG 3.26Å; P219-S226 WeakPolarHBondContact CG-OG 3.27Å; P219-R230 WeakPolarHBondContact O-CA 3.27Å; P219-R230 WeakPolarHBondContact O-CB 3.3Å; P219-W231 PolarHBondContact O-N 3.21Å | ||
| 220 | V | 66.7 | Low | 73.7 | Confident | 43 Ų | 43 | 74.2 Ų | 74.2 | 26% | 0.261 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -80.4 | -24.5 | 173.5 | -178 | 0 | 0 | 0 | 0 | 110.7 | K131 W231 I233 | K131-V220 HydrophobicContact CD-CG2 4.45Å; V220-W231 CarbonylContact C-O 3.58Å; V220-W231 HydrophobicContact CG2-CB 4.24Å; V220-I233 HydrophobicContact CG1-CD1 3.77Å; V220-I233 HydrophobicContact CG1-CG1 3.88Å |
| 221 | H | 58.7 | Low | 73.6 | Confident | 124 Ų | 124 | 70 Ų | 70 | 57% | 0.574 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -117.3 | 137.3 | -177.7 | -58.2 | -62 | 0 | 0 | 0 | 110.1 | P219 D223 | P219-H221 VanDerWaalsContact C-N 3.34Å; P219-H221 WeakPolarHBondContact CB-O 3.37Å; H221-D223 VanDerWaalsContact C-OD1 3.25Å; H221-D223 WeakPolarHBondContact CB-OD1 3.3Å; H221-D223 PolarHBondContact O-N 2.57Å |
| 222 | A | 53.9 | Low | 73.8 | Confident | 53 Ų | 53 | 69.2 Ų | 69.2 | 44% | 0.438 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -6.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | V224 | A222-V224 PolarHBondContact O-N 2.01Š|
| 223 | D | 55 | Low | 74 | Confident | 138 Ų | 138 | 72.2 Ų | 72.2 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.4 | 173.6 | 55.9 | -26 | 0 | 0 | 0 | 111.8 | H221 | H221-D223 VanDerWaalsContact C-OD1 3.25Å; H221-D223 WeakPolarHBondContact CB-OD1 3.3Å; H221-D223 PolarHBondContact O-N 2.57Å |
| 224 | V | 52.7 | Low | 74.3 | Confident | 92 Ų | 92 | 65.8 Ų | 65.8 | 56% | 0.558 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -96.6 | 101.4 | 166.5 | -173.8 | 0 | 0 | 0 | 0 | 109 | P219 A222 S226 | P219-V224 HydrophobicContact CB-CB 4Å; P219-V224 HydrophobicContact CB-CG1 4.43Å; P219-V224 HydrophobicContact CG-CB 4.37Å; P219-V224 WeakPolarHBondContact CG-O 3Å; A222-V224 PolarHBondContact O-N 2.01Å; V224-S226 PolarHBondContact O-N 3.33Å |
| 225 | K | 48.1 | Very low | 74.5 | Confident | 166 Ų | 166 | 69.4 Ų | 69.4 | 72% | 0.722 | 35% | 0.351 | S | S | * | . | trans | -67.8 | 86.7 | 177.8 | -70.1 | -171.4 | 176.7 | -168.3 | 0 | 112.1 | ||||
| 226 | S | 56 | Low | 74.5 | Confident | 25 Ų | 25 | 76.5 Ų | 76.5 | 18% | 0.175 | 39% | 0.389 | C | S | . | . | trans | -68 | 124.5 | 149 | 51.2 | 0 | 0 | 0 | 0 | 107.2 | P219 V224 K228 Y229 | P219-S226 WeakPolarHBondContact CD-OG 3.43Å; P219-S226 VanDerWaalsContact CG-OG 3.26Å; P219-S226 WeakPolarHBondContact CG-OG 3.27Å; V224-S226 PolarHBondContact O-N 3.33Å; S226-K228 PolarHBondContact O-N 2.94Å; S226-Y229 WeakPolarHBondContact CB-O 3.28Å; S226-Y229 PolarHBondContact OG-O 3.5Å | ||
| 227 | R | 63.4 | Low | 75.4 | Confident | 251 Ų | 251 | 82.3 Ų | 82.3 | 95% | 0.947 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -64.4 | 2.2 | -166.9 | -67.7 | -173.9 | 179 | -179.4 | -0.3 | 116.1 | ||
| 228 | K | 80.9 | Confident | 76.4 | Confident | 118 Ų | 118 | 79.2 Ų | 79.2 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -153.6 | -38.8 | -172.7 | -160.5 | 176 | -178.8 | -154.8 | 0 | 116.2 | E135 D136 S226 | E135-K228 CarbonylContact C-O 3.6Å; E135-K228 VanDerWaalsContact CA-O 3.27Å; E135-K228 WeakPolarHBondContact CA-O 3.48Å; D136-K228 PolarHBondContact N-O 3.49Å; S226-K228 PolarHBondContact O-N 2.94Å |
| 229 | Y | 88.1 | Confident | 77.4 | Confident | 11 Ų | 11 | 80.6 Ų | 80.6 | 4% | 0.043 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.8 | -173.8 | -60.3 | -71.8 | 0 | 0 | 0 | 112 | V134 E135 P144 L165 Y218 S226 | V134-Y229 CarbonylContact O-C 3.49Å; V134-Y229 VanDerWaalsContact O-CA 3.25Å; V134-Y229 WeakPolarHBondContact O-CA 3.46Å; E135-Y229 HydrophobicContact CB-CD1 4.45Å; E135-Y229 HydrophobicContact CB-CE1 4.44Å; E135-Y229 HydrophobicContact CG-CD1 3.67Å; E135-Y229 HydrophobicContact CG-CE1 3.25Å; E135-Y229 PolarHBondContact OE1-OH 3.32Å; P144-Y229 HydrophobicContact CB-CE1 3.89Å; P144-Y229 HydrophobicContact CG-CD1 4.09Å; P144-Y229 HydrophobicContact CG-CE1 3.72Å; L165-Y229 HydrophobicContact CD2-CE1 4.5Å; L165-Y229 HydrophobicContact CD2-CE2 3.72Å; Y218-Y229 VanDerWaalsContact CD1-O 3.24Å; Y218-Y229 WeakPolarHBondContact CD1-O 3.44Å; Y218-Y229 HydrophobicContact CE1-CD2 4.42Å; S226-Y229 WeakPolarHBondContact CB-O 3.28Å; S226-Y229 PolarHBondContact OG-O 3.5Å |
| 230 | R | 89.8 | Confident | 78.6 | Confident | 37 Ų | 37 | 80 Ų | 80 | 14% | 0.14 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 158.2 | 174.2 | 64.1 | 177.4 | -178.5 | 72.1 | 7.5 | 110.8 | V134 D136 P219 Q232 | V134-R230 HydrophobicContact CG2-CG 3.6Å; V134-R230 WeakPolarHBondContact CG2-O 2.87Å; V134-R230 PolarHBondContact N-O 3Å; V134-R230 PolarHBondContact O-N 3.44Å; D136-R230 IonicContact OD1-NE 3.21Å; P219-R230 WeakPolarHBondContact O-CA 3.27Å; P219-R230 WeakPolarHBondContact O-CB 3.3Å; R230-Q232 VanDerWaalsContact NH2-OE1 3.1Å |
| 231 | W | 91.3 | Very high | 80 | Confident | 9 Ų | 9 | 84.4 Ų | 84.4 | 3% | 0.034 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 137.8 | 167.6 | -72.4 | 112.5 | 0 | 0 | 0 | 109.5 | I122 I124 K131 L133 F215 G216 Y218 P219 V220 | I122-W231 HydrophobicContact CG2-CH2 4.2Å; I124-W231 HydrophobicContact CB-CH2 4.2Å; I124-W231 HydrophobicContact CB-CZ3 4.35Å; I124-W231 HydrophobicContact CD1-CD2 3.75Å; I124-W231 HydrophobicContact CD1-CE3 3.98Å; I124-W231 HydrophobicContact CD1-CG 4.34Å; I124-W231 HydrophobicContact CD1-CH2 4.02Å; I124-W231 HydrophobicContact CD1-CZ2 3.75Å; I124-W231 HydrophobicContact CD1-CZ3 4.1Å; I124-W231 HydrophobicContact CG1-CD2 4.18Å; I124-W231 HydrophobicContact CG1-CE3 3.87Å; I124-W231 HydrophobicContact CG1-CH2 3.88Å; I124-W231 HydrophobicContact CG1-CZ2 4.15Å; I124-W231 HydrophobicContact CG1-CZ3 3.7Å; I124-W231 HydrophobicContact CG2-CH2 3.45Å; I124-W231 VanDerWaalsContact CG2-CH2 3.45Å; I124-W231 HydrophobicContact CG2-CZ2 3.83Å; I124-W231 HydrophobicContact CG2-CZ3 4.05Å; K131-W231 HydrophobicContact CB-CB 4.33Å; K131-W231 HydrophobicContact CB-CD2 4.37Å; K131-W231 HydrophobicContact CB-CE3 3.81Å; K131-W231 HydrophobicContact CD-CB 4.35Å; L133-W231 HydrophobicContact CB-CE3 4.15Å; L133-W231 HydrophobicContact CB-CH2 3.98Å; L133-W231 HydrophobicContact CB-CZ3 3.73Å; L133-W231 HydrophobicContact CD1-CD2 4.32Å; L133-W231 HydrophobicContact CD1-CH2 4.45Å; L133-W231 HydrophobicContact CD1-CZ2 4.28Å; L133-W231 VanDerWaalsContact N-CZ3 3.28Å; F215-W231 HydrophobicContact CB-CZ2 4.25Å; G216-W231 PolarHBondContact O-NE1 3.34Å; Y218-W231 VanDerWaalsContact O-CD1 3.24Å; P219-W231 PolarHBondContact O-N 3.21Å; V220-W231 CarbonylContact C-O 3.58Å; V220-W231 HydrophobicContact CG2-CB 4.24Å |
| 232 | Q | 91.8 | Very high | 81.8 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 21% | 0.206 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.9 | 171 | -179.2 | 170.4 | -47.3 | 0 | 0 | 108.9 | K131 V132 V134 T141 R230 | K131-Q232 CarbonylContact C-O 3.42Å; K131-Q232 VanDerWaalsContact CA-O 3.27Å; K131-Q232 WeakPolarHBondContact CA-O 3.47Å; V132-Q232 HydrophobicContact CG2-CB 3.95Å; V132-Q232 WeakPolarHBondContact CG2-O 3.36Å; V132-Q232 PolarHBondContact N-O 3.29Å; V132-Q232 PolarHBondContact O-N 2.82Å; V134-Q232 HydrophobicContact CG1-CB 4.05Å; V134-Q232 HydrophobicContact CG2-CB 3.93Å; T141-Q232 PolarHBondContact OG1-OE1 2.82Å; R230-Q232 VanDerWaalsContact NH2-OE1 3.1Å |
| 233 | I | 93.9 | Very high | 83.8 | Confident | 82 Ų | 82 | 80.7 Ų | 80.7 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 130.3 | 175.4 | -67 | 167.9 | 0 | 0 | 0 | 108.9 | T129 K131 V220 | T129-I233 HydrophobicContact CG2-CB 4.33Å; T129-I233 HydrophobicContact CG2-CG1 4.13Å; T129-I233 HydrophobicContact CG2-CG2 3.48Å; T129-I233 VanDerWaalsContact CG2-CG2 3.48Å; K131-I233 HydrophobicContact CG-CG1 4.1Å; V220-I233 HydrophobicContact CG1-CD1 3.77Å; V220-I233 HydrophobicContact CG1-CG1 3.88Å |
| 234 | L | 94.4 | Very high | 85.8 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 138.3 | 167 | -67.1 | -173.7 | 0 | 0 | 0 | 109.6 | T130 V132 F243 | T130-L234 HydrophobicContact CG2-CD1 4.11Å; T130-L234 PolarHBondContact O-N 2.91Å; V132-L234 HydrophobicContact CG1-CD1 3.62Å; V132-L234 HydrophobicContact CG1-CD2 4Å; V132-L234 HydrophobicContact CG1-CG 3.77Å; V132-L234 HydrophobicContact CG2-CD2 3.82Å; V132-L234 HydrophobicContact CG2-CG 4.19Å; L234-F243 HydrophobicContact CD1-CB 4.29Å; L234-F243 HydrophobicContact CD2-CB 4.02Å; L234-F243 HydrophobicContact CD2-CD1 4.29Å; L234-F243 HydrophobicContact CD2-CD2 3.49Å; L234-F243 VanDerWaalsContact CD2-CD2 3.49Å; L234-F243 HydrophobicContact CD2-CE2 3.98Å; L234-F243 HydrophobicContact CD2-CG 3.66Å |
| 235 | P | 94.1 | Very high | 87.8 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 49% | 0.494 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 146.1 | 167.5 | -20.9 | 32.2 | 0 | 0 | 0 | 110.8 | T237 T238 | P235-T237 PolarHBondContact O-N 3.22Å; P235-T238 PolarHBondContact O-N 2.75Å |
| 236 | D | 91.1 | Very high | 90 | Very high | 149 Ų | 149 | 69.3 Ų | 69.3 | 80% | 0.797 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -21.7 | -178.7 | -61.7 | -26.2 | 0 | 0 | 0 | 113.5 | ||
| 237 | T | 93.9 | Very high | 91.8 | Very high | 128 Ų | 128 | 68.9 Ų | 68.9 | 79% | 0.785 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -6.3 | 176.7 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | P235 | P235-T237 PolarHBondContact O-N 3.22Š|
| 238 | T | 94.6 | Very high | 93.2 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 26% | 0.258 | 30% | 0.302 | S | S | . | . | trans | -113.4 | 113.8 | -173.6 | -55.4 | 0 | 0 | 0 | 0 | 110.3 | P235 D242 F243 | P235-T238 PolarHBondContact O-N 2.75Å; T238-D242 HydrophobicContact CG2-CB 3.99Å; T238-F243 HydrophobicContact CG2-CB 4.17Å | ||
| 239 | T | 95.5 | Very high | 93.2 | Very high | 75 Ų | 75 | 52.3 Ų | 52.3 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | trans | -74.9 | 162.2 | 172.9 | 71.2 | 0 | 0 | 0 | 0 | 111.1 | R241 D242 F243 | T239-R241 PolarHBondContact O-N 3.36Å; T239-R241 PolarHBondContact OG1-N 3.17Å; T239-D242 VanDerWaalsContact CB-OD2 3.31Å; T239-D242 WeakPolarHBondContact CB-OD2 3.38Å; T239-D242 WeakPolarHBondContact CG2-OD2 3.39Å; T239-D242 PolarHBondContact N-OD2 3.35Å; T239-D242 PolarHBondContact O-N 3.2Å; T239-D242 VanDerWaalsContact O-N 3.11Å; T239-D242 PolarHBondContact OG1-N 3.45Å; T239-D242 VanDerWaalsContact OG1-N 3.08Å; T239-D242 PolarHBondContact OG1-OD2 3.06Å; T239-F243 PolarHBondContact O-N 3.47Å | ||
| 240 | A | 95.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 12% | 0.124 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56 | -33.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | L121 T123 Y184 A244 | L121-A240 HydrophobicContact CD2-CB 4.01Å; L121-A240 WeakPolarHBondContact CD2-O 3.27Å; T123-A240 HydrophobicContact CG2-CB 3.96Å; Y184-A240 HydrophobicContact CE2-CB 3.88Å; A240-A244 WeakPolarHBondContact O-CB 3.04Å; A240-A244 PolarHBondContact O-N 3.48Å |
| 241 | R | 96.6 | Very high | 92.5 | Very high | 134 Ų | 134 | 56.8 Ų | 56.8 | 51% | 0.506 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 175.8 | -176.4 | 176.3 | -72.9 | -137.2 | -1.2 | 112 | Y184 T239 F243 A244 Q245 | Y184-R241 VanDerWaalsContact CD2-CA 3.47Å; Y184-R241 HydrophobicContact CD2-CB 3.93Å; Y184-R241 HydrophobicContact CD2-CG 4.38Å; Y184-R241 HydrophobicContact CE2-CB 3.87Å; Y184-R241 HydrophobicContact CG-CB 4.43Å; Y184-R241 HydrophobicContact CG-CG 4.44Å; T239-R241 PolarHBondContact O-N 3.36Å; T239-R241 PolarHBondContact OG1-N 3.17Å; R241-F243 VanDerWaalsContact C-N 3.31Å; R241-F243 PolarHBondContact O-N 3.33Å; R241-A244 WeakPolarHBondContact O-CB 3.33Å; R241-A244 PolarHBondContact O-N 3.1Å; R241-Q245 WeakPolarHBondContact O-CG 3.49Å; R241-Q245 PolarHBondContact O-N 3.19Å; R241-Q245 VanDerWaalsContact O-N 3.17Å |
| 242 | D | 96.3 | Very high | 91.9 | Very high | 81 Ų | 81 | 61.9 Ų | 61.9 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.4 | -55.4 | -41.5 | 0 | 0 | 0 | 110.7 | T238 T239 A244 Q245 | T238-D242 HydrophobicContact CG2-CB 3.99Å; T239-D242 VanDerWaalsContact CB-OD2 3.31Å; T239-D242 WeakPolarHBondContact CB-OD2 3.38Å; T239-D242 WeakPolarHBondContact CG2-OD2 3.39Å; T239-D242 PolarHBondContact N-OD2 3.35Å; T239-D242 PolarHBondContact O-N 3.2Å; T239-D242 VanDerWaalsContact O-N 3.11Å; T239-D242 PolarHBondContact OG1-N 3.45Å; T239-D242 VanDerWaalsContact OG1-N 3.08Å; T239-D242 PolarHBondContact OG1-OD2 3.06Å; D242-A244 PolarHBondContact O-N 3.12Å; D242-Q245 WeakPolarHBondContact O-CB 3.45Å; D242-Q245 PolarHBondContact O-N 2.67Å |
| 243 | F | 96 | Very high | 91.9 | Very high | 18 Ų | 18 | 62.8 Ų | 62.8 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 175.4 | -171.5 | -103.4 | 0 | 0 | 0 | 112.2 | L121 V132 V134 T141 L143 L234 T238 T239 R241 Q245 T246 F247 | L121-F243 HydrophobicContact CD1-CD1 3.61Å; L121-F243 HydrophobicContact CD1-CE1 3.98Å; V132-F243 HydrophobicContact CB-CE1 4.32Å; V132-F243 HydrophobicContact CG1-CD1 4.21Å; V132-F243 HydrophobicContact CG1-CE1 4.41Å; V132-F243 HydrophobicContact CG2-CD1 4.32Å; V132-F243 HydrophobicContact CG2-CE1 3.81Å; V132-F243 HydrophobicContact CG2-CZ 3.98Å; V134-F243 HydrophobicContact CG1-CZ 4.49Å; T141-F243 HydrophobicContact CG2-CZ 4.13Å; L143-F243 HydrophobicContact CD2-CE1 4.19Å; L234-F243 HydrophobicContact CD1-CB 4.29Å; L234-F243 HydrophobicContact CD2-CB 4.02Å; L234-F243 HydrophobicContact CD2-CD1 4.29Å; L234-F243 HydrophobicContact CD2-CD2 3.49Å; L234-F243 VanDerWaalsContact CD2-CD2 3.49Å; L234-F243 HydrophobicContact CD2-CE2 3.98Å; L234-F243 HydrophobicContact CD2-CG 3.66Å; T238-F243 HydrophobicContact CG2-CB 4.17Å; T239-F243 PolarHBondContact O-N 3.47Å; R241-F243 VanDerWaalsContact C-N 3.31Å; R241-F243 PolarHBondContact O-N 3.33Å; F243-Q245 VanDerWaalsContact C-N 3.27Å; F243-Q245 PolarHBondContact O-N 3Å; F243-T246 WeakPolarHBondContact O-CB 3.24Å; F243-T246 WeakPolarHBondContact O-CG2 3.45Å; F243-T246 PolarHBondContact O-N 3.44Å; F243-T246 VanDerWaalsContact O-N 3.07Å; F243-T246 PolarHBondContact O-OG1 2.96Å; F243-F247 HydrophobicContact CD1-CE2 4.12Å; F243-F247 AromaticContact CE1-CE2 3.65Å; F243-F247 HydrophobicContact CE1-CE2 3.65Å; F243-F247 HydrophobicContact CE1-CZ 4.22Å; F243-F247 HydrophobicContact CZ-CE2 4.04Å; F243-F247 HydrophobicContact CZ-CZ 4.34Å |
| 244 | A | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.4 | -37.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L121 Y184 V204 A240 R241 D242 T246 F247 | L121-A244 HydrophobicContact CD2-CB 4Å; Y184-A244 HydrophobicContact CD2-CB 3.93Å; Y184-A244 HydrophobicContact CG-CB 4.37Å; V204-A244 HydrophobicContact CB-CB 4.31Å; V204-A244 HydrophobicContact CG1-CB 3.73Å; A240-A244 WeakPolarHBondContact O-CB 3.04Å; A240-A244 PolarHBondContact O-N 3.48Å; R241-A244 WeakPolarHBondContact O-CB 3.33Å; R241-A244 PolarHBondContact O-N 3.1Å; D242-A244 PolarHBondContact O-N 3.12Å; A244-T246 PolarHBondContact O-N 2.73Å; A244-F247 PolarHBondContact O-N 2.97Å; A244-F247 VanDerWaalsContact O-N 3.1Å |
| 245 | Q | 94.7 | Very high | 91.7 | Very high | 87 Ų | 87 | 65 Ų | 65 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.7 | -20.6 | 177.8 | -65.3 | -57.6 | -36.4 | 0 | 0 | 113.1 | Y184 R241 D242 F243 F247 A248 | Y184-Q245 PolarHBondContact O-NE2 3.35Å; R241-Q245 WeakPolarHBondContact O-CG 3.49Å; R241-Q245 PolarHBondContact O-N 3.19Å; R241-Q245 VanDerWaalsContact O-N 3.17Å; D242-Q245 WeakPolarHBondContact O-CB 3.45Å; D242-Q245 PolarHBondContact O-N 2.67Å; F243-Q245 VanDerWaalsContact C-N 3.27Å; F243-Q245 PolarHBondContact O-N 3Å; Q245-F247 PolarHBondContact O-N 3.16Å; Q245-A248 WeakPolarHBondContact O-CB 3.27Å; Q245-A248 PolarHBondContact O-N 2.87Å |
| 246 | T | 94.2 | Very high | 91.5 | Very high | 71 Ų | 71 | 64.4 Ų | 64.4 | 44% | 0.436 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25 | 174.7 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | K190 F243 A244 | K190-T246 WeakPolarHBondContact CD-O 2.84Å; K190-T246 PolarHBondContact NZ-O 2.9Å; K190-T246 VanDerWaalsContact NZ-O 3.08Å; F243-T246 WeakPolarHBondContact O-CB 3.24Å; F243-T246 WeakPolarHBondContact O-CG2 3.45Å; F243-T246 PolarHBondContact O-N 3.44Å; F243-T246 VanDerWaalsContact O-N 3.07Å; F243-T246 PolarHBondContact O-OG1 2.96Å; A244-T246 PolarHBondContact O-N 2.73Å |
| 247 | F | 94.4 | Very high | 91.5 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 7% | 0.066 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -10.8 | 176.2 | -63.7 | -85.4 | 0 | 0 | 0 | 113.7 | Y119 L143 L189 K190 V204 F243 A244 Q245 | Y119-F247 AromaticContact CD2-CD1 3.95Å; Y119-F247 HydrophobicContact CD2-CD1 3.95Å; Y119-F247 HydrophobicContact CD2-CG 4.35Å; Y119-F247 AromaticContact CE2-CD1 3.92Å; Y119-F247 HydrophobicContact CE2-CD1 3.92Å; L143-F247 HydrophobicContact CD1-CD2 3.79Å; L143-F247 HydrophobicContact CD1-CE1 4.44Å; L143-F247 HydrophobicContact CD1-CE2 3.64Å; L143-F247 HydrophobicContact CD1-CG 4.28Å; L143-F247 HydrophobicContact CD1-CZ 4Å; L143-F247 HydrophobicContact CD2-CE2 4.37Å; L143-F247 HydrophobicContact CD2-CZ 4.32Å; L143-F247 HydrophobicContact CG-CD2 4.31Å; L143-F247 HydrophobicContact CG-CE1 4.04Å; L143-F247 HydrophobicContact CG-CE2 3.71Å; L143-F247 HydrophobicContact CG-CZ 3.57Å; L189-F247 WeakPolarHBondContact CA-O 3.39Å; K190-F247 PolarHBondContact N-O 2.96Å; V204-F247 HydrophobicContact CG2-CB 4.1Å; F243-F247 HydrophobicContact CD1-CE2 4.12Å; F243-F247 AromaticContact CE1-CE2 3.65Å; F243-F247 HydrophobicContact CE1-CE2 3.65Å; F243-F247 HydrophobicContact CE1-CZ 4.22Å; F243-F247 HydrophobicContact CZ-CE2 4.04Å; F243-F247 HydrophobicContact CZ-CZ 4.34Å; A244-F247 PolarHBondContact O-N 2.97Å; A244-F247 VanDerWaalsContact O-N 3.1Å; Q245-F247 PolarHBondContact O-N 3.16Å |
| 248 | A | 92.2 | Very high | 91.4 | Very high | 15 Ų | 15 | 54.5 Ų | 54.5 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 138.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y185 K190 Q245 | Y185-A248 HydrophobicContact CD1-CB 4.21Å; Y185-A248 HydrophobicContact CD2-CB 3.6Å; Y185-A248 HydrophobicContact CE1-CB 4.03Å; Y185-A248 HydrophobicContact CE2-CB 3.39Å; Y185-A248 HydrophobicContact CG-CB 4Å; K190-A248 WeakPolarHBondContact CE-O 3.25Å; K190-A248 PolarHBondContact NZ-O 2.99Å; Q245-A248 WeakPolarHBondContact O-CB 3.27Å; Q245-A248 PolarHBondContact O-N 2.87Å |
| 249 | A | 82.5 | Confident | 91.1 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 5% | 0.05 | 28% | 0.278 | C | S | . | . | trans | -131.7 | 142.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y188 K190 Y251 | Y188-A249 HydrophobicContact CD1-CB 3.59Å; Y188-A249 WeakPolarHBondContact CD1-O 3.24Å; Y188-A249 HydrophobicContact CE1-CB 3.75Å; Y188-A249 PolarHBondContact O-N 3.42Å; K190-A249 HydrophobicContact CD-CB 4.18Å; K190-A249 HydrophobicContact CG-CB 3.36Å; A249-Y251 HydrophobicContact CB-CD2 4.26Å; A249-Y251 HydrophobicContact CB-CE2 3.66Å | ||
| 250 | N | 78.8 | Confident | 90.8 | Very high | 106 Ų | 106 | 53.8 Ų | 53.8 | 57% | 0.567 | 26% | 0.264 | S | S | * | . | trans | -155.8 | 100.2 | 163.9 | -171.8 | 9.8 | 0 | 0 | 0 | 107.3 | K252 | N250-K252 VanDerWaalsContact C-N 3.32Å; N250-K252 WeakPolarHBondContact OD1-CB 3.4Å; N250-K252 WeakPolarHBondContact OD1-CG 3.42Å; N250-K252 PolarHBondContact OD1-N 3.34Å | ||
| 251 | Y | 83.6 | Confident | 90.4 | Very high | 37 Ų | 37 | 57.1 Ų | 57.1 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | trans | -98.5 | 16.7 | 175.7 | -48.1 | -91.1 | 0 | 0 | 0 | 110.9 | E58 K61 S62 Y98 E99 A249 | E58-Y251 HydrophobicContact CG-CD1 4.32Å; E58-Y251 HydrophobicContact CG-CE1 3.88Å; K61-Y251 HydrophobicContact CB-CD1 3.9Å; K61-Y251 HydrophobicContact CB-CD2 4.17Å; K61-Y251 HydrophobicContact CB-CE1 4.35Å; K61-Y251 HydrophobicContact CB-CG 3.79Å; K61-Y251 HydrophobicContact CD-CD1 4.04Å; K61-Y251 HydrophobicContact CD-CD2 4.31Å; K61-Y251 HydrophobicContact CD-CE1 3.61Å; K61-Y251 HydrophobicContact CD-CE2 3.9Å; K61-Y251 HydrophobicContact CD-CG 4.35Å; K61-Y251 PolarHBondContact NZ-OH 3.49Å; S62-Y251 WeakPolarHBondContact CA-O 3.17Å; S62-Y251 WeakPolarHBondContact CB-O 3.08Å; S62-Y251 PolarHBondContact OG-O 3.3Å; Y98-Y251 CarbonylContact O-C 3.6Å; Y98-Y251 WeakPolarHBondContact O-CB 3.4Å; Y98-Y251 PolarHBondContact O-N 2.89Å; E99-Y251 HydrophobicContact CB-CD2 3.59Å; E99-Y251 HydrophobicContact CB-CE2 4.14Å; E99-Y251 HydrophobicContact CB-CG 4.43Å; E99-Y251 WeakPolarHBondContact OE2-CE2 3.47Å; A249-Y251 HydrophobicContact CB-CD2 4.26Å; A249-Y251 HydrophobicContact CB-CE2 3.66Å | ||
| 252 | K | 79 | Confident | 89.8 | Confident | 115 Ų | 115 | 50.1 Ų | 50.1 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | trans | -57.9 | 0 | 173.3 | -72.9 | -175.5 | 169.1 | -165.7 | 0 | 111 | S62 E97 Y98 N250 | S62-K252 PolarHBondContact OG-OXT 2.82Å; E97-K252 VanDerWaalsContact CB-CE 3.46Å; E97-K252 WeakPolarHBondContact O-CE 3.45Å; E97-K252 VanDerWaalsContact O-CG 3.24Å; E97-K252 WeakPolarHBondContact O-CG 3.4Å; E97-K252 IonicContact OE2-NZ 3.59Å; E97-K252 PolarHBondContact OE2-NZ 3.19Å; Y98-K252 HydrophobicContact CD1-CD 4.02Å; Y98-K252 HydrophobicContact CD1-CG 4.31Å; Y98-K252 HydrophobicContact CE1-CD 4.27Å; N250-K252 VanDerWaalsContact C-N 3.32Å; N250-K252 WeakPolarHBondContact OD1-CB 3.4Å; N250-K252 WeakPolarHBondContact OD1-CG 3.42Å; N250-K252 PolarHBondContact OD1-N 3.34Å |
Retrieved 252 of 252 residues in 74.2 ms
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