| 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 | 39.9 | Very low | 77.9 | Confident | 240 Ų | 240 | 89.5 Ų | 89.5 | 100% | 1.182 | 49% | 0.487 | S | S | * | . | 0 | 109 | 0 | -60.4 | 178.9 | -164.8 | 0 | 0 | 105.6 | Q3 | M1-Q3 PolarHBondContact O-N 3.19Š| |||
| 2 | A | 45.6 | Very low | 79.5 | Confident | 96 Ų | 96 | 83.1 Ų | 83.1 | 79% | 0.793 | 45% | 0.452 | S | S | * | . | trans | -65.5 | 118.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107 | N4 | A2-N4 PolarHBondContact O-N 2.85Š| ||
| 3 | Q | 51.1 | Low | 80.9 | Confident | 170 Ų | 170 | 76.8 Ų | 76.8 | 79% | 0.794 | 42% | 0.417 | S | S | * | . | trans | -68.3 | 113.6 | 166.6 | -66.1 | -151.9 | 59.1 | 0 | 0 | 105.9 | M1 N5 | M1-Q3 PolarHBondContact O-N 3.19Å; Q3-N5 PolarHBondContact O-N 2.89Å | ||
| 4 | N | 60.6 | Low | 81.9 | Confident | 128 Ų | 128 | 71.6 Ų | 71.6 | 68% | 0.684 | 39% | 0.389 | S | S | * | . | trans | -66.6 | 88.2 | 168.3 | -107.9 | 33.3 | 0 | 0 | 0 | 106.8 | A2 S6 | A2-N4 PolarHBondContact O-N 2.85Å; N4-S6 PolarHBondContact O-N 3.23Å | ||
| 5 | N | 79.3 | Confident | 82.7 | Confident | 97 Ų | 97 | 68.1 Ų | 68.1 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | trans | -75.4 | 76.7 | 174.9 | -84.2 | 11.5 | 0 | 0 | 0 | 108.4 | Q3 F7 | Q3-N5 PolarHBondContact O-N 2.89Å; N5-F7 HydrophobicContact CB-CE2 4.18Å; N5-F7 HydrophobicContact CB-CZ 4.05Å; N5-F7 WeakPolarHBondContact O-CE2 3.29Å | ||
| 6 | S | 91.6 | Very high | 83.1 | Confident | 53 Ų | 53 | 68 Ų | 68 | 37% | 0.371 | 37% | 0.368 | S | S | . | . | trans | -97.1 | 126.4 | 174.1 | 75.4 | 0 | 0 | 0 | 0 | 109.9 | N4 T77 | N4-S6 PolarHBondContact O-N 3.23Å; S6-T77 CarbonylContact C-O 3.56Å; S6-T77 VanDerWaalsContact CA-O 3.29Å; S6-T77 WeakPolarHBondContact CA-O 3.33Å | ||
| 7 | F | 96.3 | Very high | 83.4 | Confident | 56 Ų | 56 | 64.8 Ų | 64.8 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 133.8 | -177.5 | -53.2 | -83.9 | 0 | 0 | 0 | 110.4 | N5 V43 H44 Y76 T77 V79 N80 | N5-F7 HydrophobicContact CB-CE2 4.18Å; N5-F7 HydrophobicContact CB-CZ 4.05Å; N5-F7 WeakPolarHBondContact O-CE2 3.29Å; F7-V43 HydrophobicContact CB-CG2 4.5Å; F7-H44 AromaticContact CD1-CE1 3.86Å; F7-H44 AromaticContact CD1-ND1 3.67Å; F7-H44 AromaticContact CD2-CE1 3.49Å; F7-H44 VanDerWaalsContact CD2-CE1 3.49Å; F7-H44 WeakPolarHBondContact CD2-CE1 3.33Å; F7-H44 AromaticContact CE2-CE1 3.91Å; F7-H44 AromaticContact CG-CE1 3.46Å; F7-H44 VanDerWaalsContact CG-CE1 3.46Å; F7-H44 WeakPolarHBondContact CG-CE1 3.49Å; F7-H44 AromaticContact CG-ND1 3.7Å; F7-Y76 CarbonylContact O-C 3.59Å; F7-Y76 WeakPolarHBondContact O-CA 3.36Å; F7-T77 HydrophobicContact CB-CG2 4.04Å; F7-T77 HydrophobicContact CD2-CG2 4.5Å; F7-T77 PolarHBondContact N-O 2.79Å; F7-T77 PolarHBondContact O-N 3.47Å; F7-V79 WeakPolarHBondContact CD2-O 3.46Å; F7-N80 HydrophobicContact CE2-CB 4.48Å |
| 8 | P | 97.4 | Very high | 83.6 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 137.4 | 179.2 | 28.6 | -34.1 | 0 | 0 | 0 | 110.8 | G75 Y76 | P8-G75 WeakPolarHBondContact CA-O 3.23Å; P8-Y76 HydrophobicContact CB-CD1 4.17Å; P8-Y76 HydrophobicContact CB-CE1 3.96Å |
| 9 | V | 98.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.1 | 175.3 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | V41 V42 V43 L74 G75 T77 L119 T120 | V9-V41 HydrophobicContact CG1-CG1 4.02Å; V9-V42 WeakPolarHBondContact CA-O 3.27Å; V9-V43 HydrophobicContact CG2-CB 4.49Å; V9-V43 HydrophobicContact CG2-CG2 3.97Å; V9-L74 HydrophobicContact CB-CB 4.32Å; V9-L74 HydrophobicContact CG1-CB 4.19Å; V9-L74 HydrophobicContact CG1-CD1 4.18Å; V9-L74 WeakPolarHBondContact O-CB 3.34Å; V9-L74 PolarHBondContact O-N 3.25Å; V9-G75 PolarHBondContact N-O 2.98Å; V9-T77 HydrophobicContact CG2-CG2 3.69Å; V9-L119 HydrophobicContact CG1-CD1 4.11Å; V9-L119 HydrophobicContact CG2-CB 4.3Å; V9-L119 HydrophobicContact CG2-CD1 4.28Å; V9-T120 HydrophobicContact CB-CG2 3.89Å; V9-T120 HydrophobicContact CG1-CG2 4.15Å; V9-T120 HydrophobicContact CG2-CG2 3.77Å |
| 10 | K | 98.3 | Very high | 84 | Confident | 76 Ų | 76 | 65.6 Ų | 65.6 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 151.4 | 178.5 | -57.6 | -175.7 | 177.4 | -165 | 0 | 110.9 | F12 V42 I71 V72 D73 | K10-F12 HydrophobicContact CB-CE1 4.44Å; K10-V42 HydrophobicContact CB-CB 4.27Å; K10-V42 PolarHBondContact N-O 3.35Å; K10-V42 PolarHBondContact O-N 3.01Å; K10-I71 HydrophobicContact CB-CG2 4.19Å; K10-I71 HydrophobicContact CD-CG2 3.97Å; K10-V72 CarbonylContact C-O 3.49Å; K10-V72 WeakPolarHBondContact CA-O 3.39Å; K10-D73 VanDerWaalsContact CE-OD1 3.24Å; K10-D73 WeakPolarHBondContact CE-OD1 3.42Å; K10-D73 IonicContact NZ-OD1 3.06Å |
| 11 | L | 98.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.7 | 169.2 | -170.2 | 72.5 | 0 | 0 | 0 | 108.8 | I13 T39 V41 I71 V72 L74 I124 I128 | L11-I13 HydrophobicContact CD2-CD1 4.26Å; L11-I13 HydrophobicContact CD2-CG1 4.06Å; L11-I13 HydrophobicContact CG-CG1 4.19Å; L11-T39 HydrophobicContact CD1-CG2 4.29Å; L11-T39 HydrophobicContact CD2-CG2 4.25Å; L11-T39 HydrophobicContact CG-CG2 4.28Å; L11-V41 HydrophobicContact CD1-CG2 4.25Å; L11-I71 WeakPolarHBondContact O-CA 3.17Å; L11-V72 HydrophobicContact CB-CB 4.2Å; L11-V72 PolarHBondContact N-O 3.44Å; L11-V72 PolarHBondContact O-N 2.93Å; L11-L74 HydrophobicContact CB-CD1 3.78Å; L11-L74 HydrophobicContact CB-CG 4.31Å; L11-I124 HydrophobicContact CD1-CG2 3.81Å; L11-I124 HydrophobicContact CD2-CB 3.78Å; L11-I124 HydrophobicContact CD2-CG2 3.67Å; L11-I124 HydrophobicContact CG-CG2 4.36Å; L11-I128 HydrophobicContact CD2-CD1 4.22Å |
| 12 | F | 98.1 | Very high | 86.6 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 6% | 0.057 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.8 | 169.7 | -79.8 | 18.3 | 0 | 0 | 0 | 108.3 | K10 Y14 T39 G40 V42 P60 P68 I71 | K10-F12 HydrophobicContact CB-CE1 4.44Å; F12-Y14 HydrophobicContact CB-CE2 3.72Å; F12-Y14 WeakPolarHBondContact CD2-OH 3.18Å; F12-T39 WeakPolarHBondContact O-CA 3.24Å; F12-T39 WeakPolarHBondContact O-CB 3.24Å; F12-G40 PolarHBondContact N-O 3.42Å; F12-G40 PolarHBondContact O-N 3.03Å; F12-V42 HydrophobicContact CD1-CB 4.48Å; F12-V42 HydrophobicContact CD1-CG2 3.65Å; F12-V42 HydrophobicContact CD2-CG2 3.8Å; F12-V42 HydrophobicContact CE1-CB 4.34Å; F12-V42 HydrophobicContact CE1-CG2 3.72Å; F12-V42 HydrophobicContact CE2-CG2 3.9Å; F12-V42 HydrophobicContact CG-CG2 3.71Å; F12-V42 HydrophobicContact CZ-CG2 3.86Å; F12-P60 HydrophobicContact CE2-CB 3.81Å; F12-P60 HydrophobicContact CZ-CB 4.13Å; F12-P68 HydrophobicContact CB-CB 3.97Å; F12-P68 HydrophobicContact CB-CG 4.33Å; F12-P68 HydrophobicContact CD1-CG 4.31Å; F12-P68 HydrophobicContact CD2-CB 4.17Å; F12-P68 HydrophobicContact CD2-CG 3.71Å; F12-P68 HydrophobicContact CE2-CG 3.96Å; F12-P68 HydrophobicContact CG-CB 4.08Å; F12-P68 HydrophobicContact CG-CG 3.87Å; F12-P68 HydrophobicContact CZ-CG 4.37Å; F12-I71 HydrophobicContact CD1-CB 4.41Å; F12-I71 HydrophobicContact CD1-CD1 4.29Å; F12-I71 HydrophobicContact CD1-CG1 3.84Å; F12-I71 HydrophobicContact CD1-CG2 4.02Å; F12-I71 HydrophobicContact CE1-CB 4.4Å; F12-I71 HydrophobicContact CE1-CD1 3.68Å; F12-I71 HydrophobicContact CE1-CG1 3.74Å; F12-I71 HydrophobicContact CE1-CG2 3.83Å; F12-I71 HydrophobicContact CZ-CD1 3.98Å; F12-I71 HydrophobicContact CZ-CG1 4.41Å |
| 13 | I | 96.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.6 | -177.1 | -54.7 | 167.8 | 0 | 0 | 0 | 108.5 | L11 W37 T39 P68 N69 S70 V72 I128 | L11-I13 HydrophobicContact CD2-CD1 4.26Å; L11-I13 HydrophobicContact CD2-CG1 4.06Å; L11-I13 HydrophobicContact CG-CG1 4.19Å; I13-W37 HydrophobicContact CG2-CD2 4.45Å; I13-W37 HydrophobicContact CG2-CE3 3.77Å; I13-W37 HydrophobicContact CG2-CZ3 4.31Å; I13-T39 HydrophobicContact CG1-CG2 4.15Å; I13-P68 CarbonylContact O-C 3.58Å; I13-N69 PolarHBondContact O-N 2.89Å; I13-S70 PolarHBondContact N-O 3.36Å; I13-S70 PolarHBondContact O-N 3.49Å; I13-S70 VanDerWaalsContact O-N 3.16Å; I13-V72 HydrophobicContact CD1-CG2 3.58Å; I13-I128 HydrophobicContact CD1-CD1 3.7Å; I13-I128 HydrophobicContact CG1-CD1 3.93Å; I13-I128 HydrophobicContact CG2-CD1 4.23Å |
| 14 | Y | 95.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.5 | -179.8 | -54.2 | -94 | 0 | 0 | 0 | 110 | F12 W37 H38 E47 L65 P68 N69 | F12-Y14 HydrophobicContact CB-CE2 3.72Å; F12-Y14 WeakPolarHBondContact CD2-OH 3.18Å; Y14-W37 WeakPolarHBondContact O-CA 3.36Å; Y14-H38 AromaticContact CD2-CD2 3.65Å; Y14-H38 PolarHBondContact N-O 3.34Å; Y14-H38 PolarHBondContact O-N 2.91Å; Y14-E47 VanDerWaalsContact CE2-OE1 3.26Å; Y14-E47 WeakPolarHBondContact CE2-OE1 3.49Å; Y14-E47 VanDerWaalsContact OH-CD 3.3Å; Y14-E47 PolarHBondContact OH-OE1 2.7Å; Y14-E47 PolarHBondContact OH-OE2 3.46Å; Y14-L65 HydrophobicContact CD1-CB 3.73Å; Y14-L65 HydrophobicContact CD1-CD1 4.19Å; Y14-L65 HydrophobicContact CD2-CD1 4.33Å; Y14-L65 HydrophobicContact CE1-CB 3.95Å; Y14-L65 HydrophobicContact CG-CB 4.37Å; Y14-L65 HydrophobicContact CG-CD1 3.99Å; Y14-P68 HydrophobicContact CD1-CB 4.15Å; Y14-P68 VanDerWaalsContact CE1-CA 3.42Å; Y14-P68 HydrophobicContact CE1-CB 3.76Å; Y14-P68 HydrophobicContact CE2-CB 4.4Å; Y14-N69 WeakPolarHBondContact CA-OD1 3.18Å |
| 15 | D | 93.6 | Very high | 91.7 | Very high | 20 Ų | 20 | 52 Ų | 52 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 103.7 | 166.3 | 175.5 | 18.7 | 0 | 0 | 0 | 109.4 | S17 G18 G19 G35 I36 W37 N69 | D15-S17 VanDerWaalsContact CG-OG 3.23Å; D15-S17 PolarHBondContact O-N 3.49Å; D15-S17 VanDerWaalsContact O-N 3.13Å; D15-S17 VanDerWaalsContact OD1-CB 3.32Å; D15-S17 WeakPolarHBondContact OD1-CB 3.36Å; D15-S17 PolarHBondContact OD1-N 2.89Å; D15-S17 PolarHBondContact OD1-OG 2.86Å; D15-S17 PolarHBondContact OD2-OG 2.94Å; D15-G18 PolarHBondContact O-N 3.17Å; D15-G18 VanDerWaalsContact O-N 3.08Å; D15-G19 WeakPolarHBondContact OD2-CA 3.4Å; D15-G19 PolarHBondContact OD2-N 2.88Å; D15-G35 WeakPolarHBondContact OD1-CA 3.42Å; D15-I36 WeakPolarHBondContact CA-O 3.4Å; D15-I36 PolarHBondContact OD1-N 2.92Å; D15-W37 HydrophobicContact CB-CE3 4.37Å; D15-W37 HydrophobicContact CB-CZ3 4Å; D15-N69 PolarHBondContact N-OD1 3.36Å |
| 16 | L | 88.9 | Confident | 92.2 | Very high | 66 Ų | 66 | 50 Ų | 50 | 35% | 0.346 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.6 | 178.4 | -63.5 | -176.6 | 0 | 0 | 0 | 113 | I36 H38 L65 V153 | L16-I36 HydrophobicContact CB-CB 4.32Å; L16-I36 HydrophobicContact CB-CG2 4.21Å; L16-I36 HydrophobicContact CD1-CG2 4.31Å; L16-I36 PolarHBondContact N-O 2.9Å; L16-H38 HydrophobicContact CD1-CB 3.94Å; L16-H38 HydrophobicContact CD2-CB 3.72Å; L16-H38 HydrophobicContact CG-CB 3.7Å; L16-L65 HydrophobicContact CD2-CD1 3.89Å; L16-L65 HydrophobicContact CD2-CD2 3.8Å; L16-V153 HydrophobicContact CD1-CG1 4.06Å; L16-V153 HydrophobicContact CD1-CG2 4.35Å |
| 17 | S | 87.8 | Confident | 92 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.8 | 178.4 | 81.2 | 0 | 0 | 0 | 0 | 113.7 | D15 G19 M20 A21 | D15-S17 VanDerWaalsContact CG-OG 3.23Å; D15-S17 PolarHBondContact O-N 3.49Å; D15-S17 VanDerWaalsContact O-N 3.13Å; D15-S17 VanDerWaalsContact OD1-CB 3.32Å; D15-S17 WeakPolarHBondContact OD1-CB 3.36Å; D15-S17 PolarHBondContact OD1-N 2.89Å; D15-S17 PolarHBondContact OD1-OG 2.86Å; D15-S17 PolarHBondContact OD2-OG 2.94Å; S17-G19 PolarHBondContact O-N 3.34Å; S17-G19 PolarHBondContact OG-N 3.47Å; S17-M20 VanDerWaalsContact O-CB 3.3Å; S17-M20 WeakPolarHBondContact O-CB 3.12Å; S17-M20 WeakPolarHBondContact O-CE 3.5Å; S17-M20 WeakPolarHBondContact O-CG 3.41Å; S17-M20 PolarHBondContact O-N 3.05Å; S17-M20 PolarHBondContact OG-N 3.36Å; S17-A21 WeakPolarHBondContact OG-CB 3.38Å; S17-A21 PolarHBondContact OG-N 2.7Å |
| 18 | G | 87.6 | Confident | 91.3 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 73% | 0.732 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 32.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D15 | D15-G18 PolarHBondContact O-N 3.17Å; D15-G18 VanDerWaalsContact O-N 3.08Å |
| 19 | G | 88.1 | Confident | 90.7 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 27% | 0.268 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D15 S17 A21 R22 Q23 | D15-G19 WeakPolarHBondContact OD2-CA 3.4Å; D15-G19 PolarHBondContact OD2-N 2.88Å; S17-G19 PolarHBondContact O-N 3.34Å; S17-G19 PolarHBondContact OG-N 3.47Å; G19-A21 PolarHBondContact O-N 2.64Å; G19-R22 PolarHBondContact O-N 3.2Å; G19-Q23 PolarHBondContact O-N 3Å |
| 20 | M | 87.4 | Confident | 90 | Very high | 114 Ų | 114 | 57.2 Ų | 57.2 | 56% | 0.562 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.3 | -36.8 | 178.6 | -69.5 | -171 | -70.3 | 0 | 0 | 112.3 | S17 R22 Q23 L24 | S17-M20 VanDerWaalsContact O-CB 3.3Å; S17-M20 WeakPolarHBondContact O-CB 3.12Å; S17-M20 WeakPolarHBondContact O-CE 3.5Å; S17-M20 WeakPolarHBondContact O-CG 3.41Å; S17-M20 PolarHBondContact O-N 3.05Å; S17-M20 PolarHBondContact OG-N 3.36Å; M20-R22 VanDerWaalsContact C-N 3.26Å; M20-R22 PolarHBondContact O-N 3.4Å; M20-Q23 PolarHBondContact O-N 2.8Å; M20-Q23 VanDerWaalsContact O-N 3.13Å; M20-L24 HydrophobicContact CB-CD1 4.4Å; M20-L24 WeakPolarHBondContact O-CB 3.33Å; M20-L24 WeakPolarHBondContact O-CG 3.48Å; M20-L24 PolarHBondContact O-N 2.97Å |
| 21 | A | 88.1 | Confident | 89.3 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 11% | 0.107 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S17 G19 Q23 L24 S25 I36 | S17-A21 WeakPolarHBondContact OG-CB 3.38Å; S17-A21 PolarHBondContact OG-N 2.7Å; G19-A21 PolarHBondContact O-N 2.64Å; A21-Q23 VanDerWaalsContact C-N 3.29Å; A21-Q23 PolarHBondContact O-N 3.31Å; A21-L24 PolarHBondContact O-N 2.83Å; A21-S25 WeakPolarHBondContact O-CB 3.27Å; A21-S25 PolarHBondContact O-N 3.28Å; A21-S25 PolarHBondContact O-OG 3.1Å; A21-I36 HydrophobicContact CB-CG1 4.01Å |
| 22 | R | 90.4 | Very high | 88.8 | Confident | 162 Ų | 162 | 63 Ų | 63 | 61% | 0.611 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.7 | -37 | 176.9 | -170.5 | 177 | 176 | -169.4 | -0.7 | 113.8 | G19 M20 Q32 L33 | G19-R22 PolarHBondContact O-N 3.2Å; M20-R22 VanDerWaalsContact C-N 3.26Å; M20-R22 PolarHBondContact O-N 3.4Å; R22-Q32 PolarHBondContact O-NE2 2.79Å; R22-L33 VanDerWaalsContact CA-O 3.24Å; R22-L33 WeakPolarHBondContact CA-O 3.34Å |
| 23 | Q | 88.8 | Confident | 88.3 | Confident | 150 Ų | 150 | 62.7 Ų | 62.7 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -80.3 | -37.6 | -178.8 | -67.7 | -178.7 | -10.4 | 0 | 0 | 112.9 | G19 M20 A21 | G19-Q23 PolarHBondContact O-N 3Å; M20-Q23 PolarHBondContact O-N 2.8Å; M20-Q23 VanDerWaalsContact O-N 3.13Å; A21-Q23 VanDerWaalsContact C-N 3.29Å; A21-Q23 PolarHBondContact O-N 3.31Å |
| 24 | L | 87.9 | Confident | 87.8 | Confident | 85 Ų | 85 | 67.5 Ų | 67.5 | 45% | 0.445 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -101.3 | -23.6 | -168 | -60.5 | 179 | 0 | 0 | 0 | 113.7 | M20 A21 V27 M28 | M20-L24 HydrophobicContact CB-CD1 4.4Å; M20-L24 WeakPolarHBondContact O-CB 3.33Å; M20-L24 WeakPolarHBondContact O-CG 3.48Å; M20-L24 PolarHBondContact O-N 2.97Å; A21-L24 PolarHBondContact O-N 2.83Å; L24-V27 PolarHBondContact O-N 2.89Å; L24-V27 VanDerWaalsContact O-N 3.14Å; L24-M28 HydrophobicContact CB-CG 4.38Å; L24-M28 HydrophobicContact CB-SD 3.89Å; L24-M28 HydrophobicContact CD1-SD 4.46Å; L24-M28 WeakPolarHBondContact O-CG 3.25Å; L24-M28 PolarHBondContact O-N 3.4Å |
| 25 | S | 88.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 3% | 0.028 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.7 | -38 | -175 | 79.3 | 0 | 0 | 0 | 0 | 114 | A21 V27 M28 L29 G30 R31 Q32 L33 | A21-S25 WeakPolarHBondContact O-CB 3.27Å; A21-S25 PolarHBondContact O-N 3.28Å; A21-S25 PolarHBondContact O-OG 3.1Å; S25-V27 PolarHBondContact O-N 3.42Å; S25-M28 PolarHBondContact O-N 2.98Å; S25-L29 WeakPolarHBondContact O-CA 3.09Å; S25-L29 VanDerWaalsContact O-CB 3.3Å; S25-L29 WeakPolarHBondContact O-CB 3.36Å; S25-L29 PolarHBondContact O-N 2.93Å; S25-G30 PolarHBondContact O-N 2.87Å; S25-R31 CarbonylContact C-O 3.6Å; S25-R31 VanDerWaalsContact CB-O 3.23Å; S25-R31 WeakPolarHBondContact CB-O 3.41Å; S25-R31 VanDerWaalsContact O-O 3.08Å; S25-R31 PolarHBondContact OG-O 3.33Å; S25-Q32 WeakPolarHBondContact OG-CA 3.29Å; S25-L33 PolarHBondContact OG-N 3.15Å |
| 26 | P | 88.7 | Confident | 87.4 | Confident | 56 Ų | 56 | 69.9 Ų | 69.9 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -34.6 | -179.2 | -24 | 36.9 | 0 | 0 | 0 | 112.4 | G30 Q32 | P26-G30 VanDerWaalsContact O-CA 3.23Å; P26-G30 WeakPolarHBondContact O-CA 3.33Å; P26-G30 PolarHBondContact O-N 3.35Å; P26-Q32 VanDerWaalsContact CG-OE1 3.23Å |
| 27 | V | 87.3 | Confident | 87.6 | Confident | 133 Ų | 133 | 68.7 Ų | 68.7 | 81% | 0.806 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -82 | -40.2 | -179.5 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | L24 S25 | L24-V27 PolarHBondContact O-N 2.89Å; L24-V27 VanDerWaalsContact O-N 3.14Å; S25-V27 PolarHBondContact O-N 3.42Å |
| 28 | M | 82.8 | Confident | 87.9 | Confident | 99 Ų | 99 | 68 Ų | 68 | 49% | 0.488 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -82.1 | -43 | -175.7 | -65.8 | -176.8 | 72.2 | 0 | 0 | 113.5 | L24 S25 F140 | L24-M28 HydrophobicContact CB-CG 4.38Å; L24-M28 HydrophobicContact CB-SD 3.89Å; L24-M28 HydrophobicContact CD1-SD 4.46Å; L24-M28 WeakPolarHBondContact O-CG 3.25Å; L24-M28 PolarHBondContact O-N 3.4Å; S25-M28 PolarHBondContact O-N 2.98Å; M28-F140 HydrophobicContact CE-CE1 4.3Å; M28-F140 HydrophobicContact CE-CE2 4.3Å; M28-F140 HydrophobicContact CE-CZ 3.71Å; M28-F140 WeakPolarHBondContact O-CB 3.32Å |
| 29 | L | 83.7 | Confident | 88.4 | Confident | 26 Ų | 26 | 64.7 Ų | 64.7 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -12.1 | -173 | -69.8 | 150.5 | 0 | 0 | 0 | 112.5 | S25 R31 L33 I135 T138 F140 | S25-L29 WeakPolarHBondContact O-CA 3.09Å; S25-L29 VanDerWaalsContact O-CB 3.3Å; S25-L29 WeakPolarHBondContact O-CB 3.36Å; S25-L29 PolarHBondContact O-N 2.93Å; L29-R31 HydrophobicContact CB-CB 4.44Å; L29-R31 PolarHBondContact O-N 3.19Å; L29-L33 HydrophobicContact CD1-CD1 3.4Å; L29-L33 VanDerWaalsContact CD1-CD1 3.4Å; L29-L33 HydrophobicContact CD1-CG 4.09Å; L29-I135 HydrophobicContact CD2-CG2 4.29Å; L29-T138 HydrophobicContact CB-CG2 4.34Å; L29-T138 HydrophobicContact CD2-CG2 4.25Å; L29-T138 WeakPolarHBondContact CD2-OG1 3.23Å; L29-T138 WeakPolarHBondContact O-CG2 3.44Å; L29-F140 HydrophobicContact CD2-CB 4.33Å; L29-F140 HydrophobicContact CD2-CD1 3.56Å; L29-F140 HydrophobicContact CD2-CE1 4.35Å; L29-F140 HydrophobicContact CD2-CG 4.38Å; L29-F140 HydrophobicContact CG-CD1 4.05Å |
| 30 | G | 83.5 | Confident | 88.8 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 72% | 0.722 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 66.3 | 13 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S25 P26 | S25-G30 PolarHBondContact O-N 2.87Å; P26-G30 VanDerWaalsContact O-CA 3.23Å; P26-G30 WeakPolarHBondContact O-CA 3.33Å; P26-G30 PolarHBondContact O-N 3.35Å |
| 31 | R | 84.4 | Confident | 89.3 | Confident | 98 Ų | 98 | 58 Ų | 58 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -140.7 | 141.3 | -174.5 | -174 | 175.4 | -179.3 | 134.3 | 4 | 109.8 | S25 L29 E134 S137 T138 | S25-R31 CarbonylContact C-O 3.6Å; S25-R31 VanDerWaalsContact CB-O 3.23Å; S25-R31 WeakPolarHBondContact CB-O 3.41Å; S25-R31 VanDerWaalsContact O-O 3.08Å; S25-R31 PolarHBondContact OG-O 3.33Å; L29-R31 HydrophobicContact CB-CB 4.44Å; L29-R31 PolarHBondContact O-N 3.19Å; R31-E134 IonicContact CZ-OE1 3.83Å; R31-E134 IonicContact CZ-OE2 3.46Å; R31-E134 IonicContact NE-OE2 2.7Å; R31-E134 PolarHBondContact NE-OE2 3.36Å; R31-E134 IonicContact NH2-OE1 2.87Å; R31-E134 PolarHBondContact NH2-OE1 3.04Å; R31-E134 IonicContact NH2-OE2 3.22Å; R31-E134 PolarHBondContact NH2-OE2 3.23Å; R31-S137 PolarHBondContact NH1-OG 2.97Å; R31-T138 HydrophobicContact CB-CG2 4.44Å |
| 32 | Q | 87.9 | Confident | 89.8 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | trans | -77.4 | 123.7 | 172.4 | -173.7 | 65.5 | 65.5 | 0 | 0 | 109.5 | R22 S25 P26 | R22-Q32 PolarHBondContact O-NE2 2.79Å; S25-Q32 WeakPolarHBondContact OG-CA 3.29Å; P26-Q32 VanDerWaalsContact CG-OE1 3.23Å | ||
| 33 | L | 87.6 | Confident | 90.1 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | trans | -114.1 | 141.4 | 165.8 | -60.8 | -177.3 | 0 | 0 | 0 | 107.1 | R22 S25 L29 L131 E134 I135 | R22-L33 VanDerWaalsContact CA-O 3.24Å; R22-L33 WeakPolarHBondContact CA-O 3.34Å; S25-L33 PolarHBondContact OG-N 3.15Å; L29-L33 HydrophobicContact CD1-CD1 3.4Å; L29-L33 VanDerWaalsContact CD1-CD1 3.4Å; L29-L33 HydrophobicContact CD1-CG 4.09Å; L33-L131 HydrophobicContact CD1-CD1 4.11Å; L33-L131 HydrophobicContact CD2-CD1 3.86Å; L33-L131 HydrophobicContact CG-CD1 4.45Å; L33-E134 HydrophobicContact CD2-CB 4.29Å; L33-I135 HydrophobicContact CD1-CD1 4.25Å; L33-I135 HydrophobicContact CD1-CG1 3.78Å | ||
| 34 | D | 86.3 | Confident | 90.5 | Very high | 102 Ų | 102 | 45 Ų | 45 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | trans | -89.6 | -14 | 179.9 | -74.9 | -39.3 | 0 | 0 | 0 | 113.4 | W37 | D34-W37 HydrophobicContact CB-CH2 4.37Å; D34-W37 HydrophobicContact CB-CZ2 3.82Å | ||
| 35 | G | 89.1 | Confident | 90.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | 176.2 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D15 | D15-G35 WeakPolarHBondContact OD1-CA 3.42Š| ||
| 36 | I | 89.7 | Confident | 91.2 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | trans | -105.9 | 102.1 | 165 | -62.1 | 179.2 | 0 | 0 | 0 | 107.3 | D15 L16 A21 | D15-I36 WeakPolarHBondContact CA-O 3.4Å; D15-I36 PolarHBondContact OD1-N 2.92Å; L16-I36 HydrophobicContact CB-CB 4.32Å; L16-I36 HydrophobicContact CB-CG2 4.21Å; L16-I36 HydrophobicContact CD1-CG2 4.31Å; L16-I36 PolarHBondContact N-O 2.9Å; A21-I36 HydrophobicContact CB-CG1 4.01Å | ||
| 37 | W | 94.1 | Very high | 91.6 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 126.1 | -168.2 | -51.3 | 121.4 | 0 | 0 | 0 | 112.4 | I13 Y14 D15 D34 N109 Y127 I128 L131 | I13-W37 HydrophobicContact CG2-CD2 4.45Å; I13-W37 HydrophobicContact CG2-CE3 3.77Å; I13-W37 HydrophobicContact CG2-CZ3 4.31Å; Y14-W37 WeakPolarHBondContact O-CA 3.36Å; D15-W37 HydrophobicContact CB-CE3 4.37Å; D15-W37 HydrophobicContact CB-CZ3 4Å; D34-W37 HydrophobicContact CB-CH2 4.37Å; D34-W37 HydrophobicContact CB-CZ2 3.82Å; W37-N109 PolarHBondContact O-ND2 3.29Å; W37-N109 PolarHBondContact O-OD1 3.5Å; W37-Y127 HydrophobicContact CD2-CE2 4.34Å; W37-Y127 AromaticContact CE2-CE2 3.84Å; W37-Y127 HydrophobicContact CZ2-CD2 4.43Å; W37-Y127 HydrophobicContact CZ2-CE2 4.09Å; W37-Y127 AromaticContact NE1-CD2 3.63Å; W37-Y127 AromaticContact NE1-CE2 3.86Å; W37-I128 HydrophobicContact CB-CB 4.5Å; W37-I128 HydrophobicContact CB-CG1 4.4Å; W37-I128 HydrophobicContact CB-CG2 3.89Å; W37-I128 HydrophobicContact CG-CG1 4.28Å; W37-L131 HydrophobicContact CB-CD2 4.32Å; W37-L131 HydrophobicContact CG-CD2 4.18Å |
| 38 | H | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.7 | 161.9 | 170.7 | 69.4 | 0 | 0 | 0 | 108.8 | Y14 L16 L65 C108 P155 | Y14-H38 AromaticContact CD2-CD2 3.65Å; Y14-H38 PolarHBondContact N-O 3.34Å; Y14-H38 PolarHBondContact O-N 2.91Å; L16-H38 HydrophobicContact CD1-CB 3.94Å; L16-H38 HydrophobicContact CD2-CB 3.72Å; L16-H38 HydrophobicContact CG-CB 3.7Å; H38-L65 WeakPolarHBondContact CD2-CD1 3.47Å; H38-C108 WeakPolarHBondContact ND1-CB 3.38Å; H38-C108 PolarHBondContact ND1-SG 3.28Å; H38-P155 WeakPolarHBondContact NE2-CG 3.47Å |
| 39 | T | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 148.2 | 177.4 | 62.9 | 0 | 0 | 0 | 0 | 113.6 | L11 F12 I13 N109 S112 I128 | L11-T39 HydrophobicContact CD1-CG2 4.29Å; L11-T39 HydrophobicContact CD2-CG2 4.25Å; L11-T39 HydrophobicContact CG-CG2 4.28Å; F12-T39 WeakPolarHBondContact O-CA 3.24Å; F12-T39 WeakPolarHBondContact O-CB 3.24Å; I13-T39 HydrophobicContact CG1-CG2 4.15Å; T39-N109 PolarHBondContact N-OD1 3.07Å; T39-N109 PolarHBondContact OG1-OD1 3.24Å; T39-S112 PolarHBondContact O-OG 2.9Å; T39-S112 WeakPolarHBondContact OG1-CB 3.06Å; T39-S112 PolarHBondContact OG1-OG 3.18Å; T39-I128 HydrophobicContact CG2-CD1 3.89Å; T39-I128 HydrophobicContact CG2-CG2 3.83Å |
| 40 | G | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F12 F48 | F12-G40 PolarHBondContact N-O 3.42Å; F12-G40 PolarHBondContact O-N 3.03Å; G40-F48 CarbonylContact C-O 3.41Å; G40-F48 WeakPolarHBondContact CA-O 3.46Å |
| 41 | V | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.4 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | V9 L11 E47 F48 V115 V116 L119 | V9-V41 HydrophobicContact CG1-CG1 4.02Å; L11-V41 HydrophobicContact CD1-CG2 4.25Å; V41-E47 CarbonylContact O-C 3.49Å; V41-E47 WeakPolarHBondContact O-CA 3.37Å; V41-F48 PolarHBondContact N-O 2.85Å; V41-F48 PolarHBondContact O-N 2.8Å; V41-V115 HydrophobicContact CB-CG1 4.16Å; V41-V115 HydrophobicContact CG1-CG1 3.95Å; V41-V115 HydrophobicContact CG2-CB 4.32Å; V41-V115 HydrophobicContact CG2-CG1 4.05Å; V41-V116 HydrophobicContact CG1-CG2 4.27Å; V41-V116 HydrophobicContact CG2-CG2 3.81Å; V41-L119 HydrophobicContact CG1-CD1 4.24Å |
| 42 | V | 98.2 | Very high | 93.9 | Very high | 16 Ų | 16 | 24.6 Ų | 24.6 | 10% | 0.097 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117.6 | 178 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | V9 K10 F12 K46 E47 P60 | V9-V42 WeakPolarHBondContact CA-O 3.27Å; K10-V42 HydrophobicContact CB-CB 4.27Å; K10-V42 PolarHBondContact N-O 3.35Å; K10-V42 PolarHBondContact O-N 3.01Å; F12-V42 HydrophobicContact CD1-CB 4.48Å; F12-V42 HydrophobicContact CD1-CG2 3.65Å; F12-V42 HydrophobicContact CD2-CG2 3.8Å; F12-V42 HydrophobicContact CE1-CB 4.34Å; F12-V42 HydrophobicContact CE1-CG2 3.72Å; F12-V42 HydrophobicContact CE2-CG2 3.9Å; F12-V42 HydrophobicContact CG-CG2 3.71Å; F12-V42 HydrophobicContact CZ-CG2 3.86Å; V42-K46 VanDerWaalsContact CA-O 3.27Å; V42-K46 WeakPolarHBondContact CA-O 3.26Å; V42-E47 HydrophobicContact CG2-CB 3.93Å; V42-E47 HydrophobicContact CG2-CG 4.03Å; V42-P60 HydrophobicContact CG1-CB 4.48Å; V42-P60 HydrophobicContact CG1-CG 3.85Å |
| 43 | V | 97.8 | Very high | 94 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 153.1 | 177.4 | 67.2 | 0 | 0 | 0 | 0 | 108.9 | F7 V9 G45 K46 F48 T77 F84 L119 | F7-V43 HydrophobicContact CB-CG2 4.5Å; V9-V43 HydrophobicContact CG2-CB 4.49Å; V9-V43 HydrophobicContact CG2-CG2 3.97Å; V43-G45 PolarHBondContact O-N 2.84Å; V43-K46 PolarHBondContact N-O 3.36Å; V43-K46 PolarHBondContact O-N 2.74Å; V43-F48 HydrophobicContact CG1-CD2 4.1Å; V43-F48 HydrophobicContact CG1-CE2 3.85Å; V43-T77 HydrophobicContact CG2-CG2 4.07Å; V43-F84 HydrophobicContact CG1-CD1 3.86Å; V43-F84 HydrophobicContact CG1-CE1 3.39Å; V43-F84 HydrophobicContact CG1-CZ 3.99Å; V43-L119 HydrophobicContact CB-CD1 4.34Å; V43-L119 HydrophobicContact CG1-CD1 4.04Å; V43-L119 HydrophobicContact CG2-CD1 4.42Å |
| 44 | H | 96.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 23.1 Ų | 23.1 | 16% | 0.157 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 30.6 | -177.4 | -53.6 | -63.3 | 0 | 0 | 0 | 114.4 | F7 K46 V79 E81 | F7-H44 AromaticContact CD1-CE1 3.86Å; F7-H44 AromaticContact CD1-ND1 3.67Å; F7-H44 AromaticContact CD2-CE1 3.49Å; F7-H44 VanDerWaalsContact CD2-CE1 3.49Å; F7-H44 WeakPolarHBondContact CD2-CE1 3.33Å; F7-H44 AromaticContact CE2-CE1 3.91Å; F7-H44 AromaticContact CG-CE1 3.46Å; F7-H44 VanDerWaalsContact CG-CE1 3.46Å; F7-H44 WeakPolarHBondContact CG-CE1 3.49Å; F7-H44 AromaticContact CG-ND1 3.7Å; H44-K46 VanDerWaalsContact C-N 3.25Å; H44-K46 PolarHBondContact O-N 2.88Å; H44-V79 PolarHBondContact CE1-O 3.22Å; H44-V79 VanDerWaalsContact CE1-O 3.28Å; H44-V79 PolarHBondContact NE2-O 3.16Å; H44-E81 HydrophobicContact CB-CB 4.4Å; H44-E81 HydrophobicContact CB-CG 4.22Å |
| 45 | G | 94.7 | Very high | 94.8 | Very high | 51 Ų | 51 | 19.8 Ų | 19.8 | 53% | 0.526 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 10.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V43 P60 | V43-G45 PolarHBondContact O-N 2.84Å; G45-P60 VanDerWaalsContact O-CD 3.24Å; G45-P60 WeakPolarHBondContact O-CD 3.37Å |
| 46 | K | 96.6 | Very high | 95 | Very high | 63 Ų | 63 | 20.4 Ų | 20.4 | 27% | 0.274 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151.3 | 177.5 | -66.4 | 170.4 | -175.7 | 160.7 | 0 | 110.4 | V42 V43 H44 F48 C58 E81 | V42-K46 VanDerWaalsContact CA-O 3.27Å; V42-K46 WeakPolarHBondContact CA-O 3.26Å; V43-K46 PolarHBondContact N-O 3.36Å; V43-K46 PolarHBondContact O-N 2.74Å; H44-K46 VanDerWaalsContact C-N 3.25Å; H44-K46 PolarHBondContact O-N 2.88Å; K46-F48 HydrophobicContact CB-CD2 4.29Å; K46-F48 HydrophobicContact CB-CE2 3.52Å; K46-F48 HydrophobicContact CB-CZ 3.71Å; K46-F48 HydrophobicContact CD-CZ 3.95Å; K46-F48 HydrophobicContact CG-CZ 4.5Å; K46-C58 WeakPolarHBondContact CA-O 3.41Å; K46-E81 IonicContact NZ-OE1 3.8Å; K46-E81 PolarHBondContact NZ-OE1 2.77Å |
| 47 | E | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.4 | 171.7 | -179.7 | 172.9 | -172.6 | 0 | 0 | 109.3 | Y14 V41 V42 N57 C58 C61 | Y14-E47 VanDerWaalsContact CE2-OE1 3.26Å; Y14-E47 WeakPolarHBondContact CE2-OE1 3.49Å; Y14-E47 VanDerWaalsContact OH-CD 3.3Å; Y14-E47 PolarHBondContact OH-OE1 2.7Å; Y14-E47 PolarHBondContact OH-OE2 3.46Å; V41-E47 CarbonylContact O-C 3.49Å; V41-E47 WeakPolarHBondContact O-CA 3.37Å; V42-E47 HydrophobicContact CG2-CB 3.93Å; V42-E47 HydrophobicContact CG2-CG 4.03Å; E47-N57 CarbonylContact O-C 3.51Å; E47-N57 WeakPolarHBondContact O-CA 3.48Å; E47-N57 WeakPolarHBondContact O-CB 3.19Å; E47-C58 PolarHBondContact N-O 2.97Å; E47-C58 PolarHBondContact O-N 2.8Å; E47-C61 PolarHBondContact OE2-N 3.32Å |
| 48 | F | 97.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.7 | -178.1 | -59.9 | -95.3 | 0 | 0 | 0 | 110.1 | G40 V41 V43 K46 N56 N57 F84 L88 F111 | G40-F48 CarbonylContact C-O 3.41Å; G40-F48 WeakPolarHBondContact CA-O 3.46Å; V41-F48 PolarHBondContact N-O 2.85Å; V41-F48 PolarHBondContact O-N 2.8Å; V43-F48 HydrophobicContact CG1-CD2 4.1Å; V43-F48 HydrophobicContact CG1-CE2 3.85Å; K46-F48 HydrophobicContact CB-CD2 4.29Å; K46-F48 HydrophobicContact CB-CE2 3.52Å; K46-F48 HydrophobicContact CB-CZ 3.71Å; K46-F48 HydrophobicContact CD-CZ 3.95Å; K46-F48 HydrophobicContact CG-CZ 4.5Å; F48-N56 WeakPolarHBondContact CA-O 3.45Å; F48-N57 HydrophobicContact CD1-CB 3.55Å; F48-N57 HydrophobicContact CE1-CB 3.73Å; F48-N57 HydrophobicContact CG-CB 4.17Å; F48-N57 HydrophobicContact CZ-CB 4.47Å; F48-F84 HydrophobicContact CD1-CE1 4.27Å; F48-F84 AromaticContact CD2-CE1 3.83Å; F48-F84 HydrophobicContact CD2-CE1 3.83Å; F48-F84 HydrophobicContact CD2-CZ 4.42Å; F48-F84 HydrophobicContact CE1-CE1 4.1Å; F48-F84 HydrophobicContact CE2-CD1 4.36Å; F48-F84 AromaticContact CE2-CE1 3.63Å; F48-F84 HydrophobicContact CE2-CE1 3.63Å; F48-F84 HydrophobicContact CG-CE1 4.15Å; F48-F84 HydrophobicContact CZ-CD1 4.23Å; F48-F84 AromaticContact CZ-CE1 3.77Å; F48-F84 HydrophobicContact CZ-CE1 3.77Å; F48-L88 HydrophobicContact CD1-CD1 3.43Å; F48-L88 VanDerWaalsContact CD1-CD1 3.43Å; F48-L88 HydrophobicContact CE1-CD1 3.48Å; F48-L88 VanDerWaalsContact CE1-CD1 3.48Å; F48-L88 HydrophobicContact CG-CD1 4.29Å; F48-L88 HydrophobicContact CZ-CD1 4.36Å; F48-F111 HydrophobicContact CB-CE1 4.31Å; F48-F111 HydrophobicContact CB-CZ 4.47Å |
| 49 | F | 96.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 161.1 | 179.5 | 59.1 | -89.5 | 0 | 0 | 0 | 110.9 | N56 T63 P155 I159 | F49-N56 HydrophobicContact CD2-CB 4.33Å; F49-N56 HydrophobicContact CE1-CB 4.38Å; F49-N56 HydrophobicContact CE2-CB 3.75Å; F49-N56 HydrophobicContact CZ-CB 3.78Å; F49-N56 PolarHBondContact N-O 2.9Å; F49-N56 PolarHBondContact O-N 2.82Å; F49-T63 HydrophobicContact CE1-CG2 3.82Å; F49-T63 HydrophobicContact CZ-CG2 4.07Å; F49-P155 HydrophobicContact CD2-CG 4.21Å; F49-P155 HydrophobicContact CE2-CG 4.13Å; F49-I159 HydrophobicContact CZ-CG1 4.28Å |
| 50 | F | 95.9 | Very high | 95 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136 | 176.5 | 175 | -119.2 | 0 | 0 | 0 | 110.6 | I55 Y96 R97 Y101 H106 C108 F111 | F50-I55 HydrophobicContact CD2-CG1 4.3Å; F50-Y96 HydrophobicContact CB-CD1 4.32Å; F50-Y96 AromaticContact CD1-CD1 3.69Å; F50-Y96 HydrophobicContact CD1-CD1 3.69Å; F50-Y96 HydrophobicContact CD1-CE1 4.11Å; F50-Y96 AromaticContact CD2-CD1 3.9Å; F50-Y96 HydrophobicContact CD2-CD1 3.9Å; F50-Y96 HydrophobicContact CD2-CG 4.49Å; F50-Y96 AromaticContact CE1-CD1 3.85Å; F50-Y96 HydrophobicContact CE1-CD1 3.85Å; F50-Y96 HydrophobicContact CE1-CE1 4.39Å; F50-Y96 HydrophobicContact CE2-CD1 4.08Å; F50-Y96 VanDerWaalsContact CE2-O 3.32Å; F50-Y96 WeakPolarHBondContact CE2-O 3.36Å; F50-Y96 AromaticContact CG-CD1 3.71Å; F50-Y96 HydrophobicContact CG-CD1 3.71Å; F50-Y96 HydrophobicContact CG-CE1 4.42Å; F50-Y96 HydrophobicContact CZ-CD1 4.06Å; F50-R97 WeakPolarHBondContact CE2-O 3.5Å; F50-R97 WeakPolarHBondContact CZ-O 3.39Å; F50-Y101 AromaticContact CD1-CD2 3.75Å; F50-Y101 HydrophobicContact CD1-CD2 3.75Å; F50-Y101 HydrophobicContact CD1-CE2 4.21Å; F50-Y101 AromaticContact CE1-CD2 3.48Å; F50-Y101 HydrophobicContact CE1-CD2 3.48Å; F50-Y101 VanDerWaalsContact CE1-CD2 3.48Å; F50-Y101 HydrophobicContact CE1-CE2 4.32Å; F50-Y101 HydrophobicContact CE1-CG 4.18Å; F50-Y101 HydrophobicContact CG-CD2 4.49Å; F50-Y101 HydrophobicContact CZ-CD2 4.02Å; F50-Y101 HydrophobicContact CZ-CG 4.47Å; F50-H106 AromaticContact CE1-CD2 3.61Å; F50-H106 AromaticContact CZ-CD2 3.97Å; F50-C108 WeakPolarHBondContact O-CB 3.47Å; F50-F111 HydrophobicContact CB-CB 3.46Å; F50-F111 VanDerWaalsContact CB-CB 3.46Å; F50-F111 HydrophobicContact CB-CD1 3.83Å; F50-F111 HydrophobicContact CB-CD2 3.98Å; F50-F111 HydrophobicContact CB-CG 3.47Å; F50-F111 VanDerWaalsContact CB-CG 3.47Å; F50-F111 HydrophobicContact CD1-CB 4.33Å; F50-F111 HydrophobicContact CG-CB 4.2Å; F50-F111 HydrophobicContact CG-CG 4.46Å |
| 51 | G | 92.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | -173.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A53 G54 V153 | G51-A53 PolarHBondContact O-N 3.45Å; G51-G54 PolarHBondContact N-O 2.83Å; G51-G54 VanDerWaalsContact N-O 3.14Å; G51-G54 PolarHBondContact O-N 2.91Å; G51-V153 CarbonylContact C-O 3.48Å; G51-V153 WeakPolarHBondContact CA-O 3.43Å |
| 52 | G | 89.5 | Confident | 94.2 | Very high | 22 Ų | 22 | 27 Ų | 27 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -13.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | G98 V153 N154 | G52-G98 CarbonylContact O-C 3.02Å; G52-G98 WeakPolarHBondContact O-CA 3.27Å; G52-V153 PolarHBondContact N-O 2.68Å; G52-V153 VanDerWaalsContact N-O 3.15Å; G52-N154 PolarHBondContact N-OD1 2.79Å |
| 53 | A | 89.4 | Confident | 93.8 | Very high | 70 Ų | 70 | 26.8 Ų | 26.8 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | 5.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G51 N154 | G51-A53 PolarHBondContact O-N 3.45Å; A53-N154 PolarHBondContact N-OD1 3.24Å |
| 54 | G | 93.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 33 Ų | 33 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.4 | -162.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G51 N56 G98 | G51-G54 PolarHBondContact N-O 2.83Å; G51-G54 VanDerWaalsContact N-O 3.14Å; G51-G54 PolarHBondContact O-N 2.91Å; G54-N56 PolarHBondContact O-N 2.8Å; G54-N56 PolarHBondContact O-ND2 3.02Å; G54-G98 VanDerWaalsContact N-CA 3.31Å |
| 55 | I | 95.7 | Very high | 93 | Very high | 33 Ų | 33 | 34 Ų | 34 | 17% | 0.169 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.9 | 175.1 | -60.5 | 175.5 | 0 | 0 | 0 | 109.2 | F50 L88 L91 A92 Y96 F111 | F50-I55 HydrophobicContact CD2-CG1 4.3Å; I55-L88 HydrophobicContact CD1-CD2 4.4Å; I55-L88 WeakPolarHBondContact CD1-O 3.31Å; I55-L88 HydrophobicContact CG2-CD2 4.31Å; I55-L91 HydrophobicContact CD1-CB 3.72Å; I55-A92 HydrophobicContact CD1-CB 4.09Å; I55-Y96 HydrophobicContact CD1-CG 4.42Å; I55-F111 HydrophobicContact CD1-CD2 4.33Å; I55-F111 HydrophobicContact CD1-CE2 3.61Å; I55-F111 HydrophobicContact CD1-CZ 4.39Å; I55-F111 HydrophobicContact CG1-CD2 4.27Å; I55-F111 HydrophobicContact CG1-CE2 3.72Å; I55-F111 HydrophobicContact CG1-CZ 4.28Å; I55-F111 HydrophobicContact CG2-CE2 4.19Å; I55-F111 HydrophobicContact CG2-CZ 3.92Å |
| 56 | N | 93.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 32.8 Ų | 32.8 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 158.9 | 179.4 | -77 | -86.5 | 0 | 0 | 0 | 110.4 | F48 F49 G54 I159 | F48-N56 WeakPolarHBondContact CA-O 3.45Å; F49-N56 HydrophobicContact CD2-CB 4.33Å; F49-N56 HydrophobicContact CE1-CB 4.38Å; F49-N56 HydrophobicContact CE2-CB 3.75Å; F49-N56 HydrophobicContact CZ-CB 3.78Å; F49-N56 PolarHBondContact N-O 2.9Å; F49-N56 PolarHBondContact O-N 2.82Å; G54-N56 PolarHBondContact O-N 2.8Å; G54-N56 PolarHBondContact O-ND2 3.02Å; N56-I159 HydrophobicContact CB-CG2 3.83Å; N56-I159 VanDerWaalsContact OD1-CG2 3.25Å; N56-I159 WeakPolarHBondContact OD1-CG2 3.48Å |
| 57 | N | 94.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 159.5 | 172.7 | 69.6 | 84.3 | 0 | 0 | 0 | 112.5 | E47 F48 T160 | E47-N57 CarbonylContact O-C 3.51Å; E47-N57 WeakPolarHBondContact O-CA 3.48Å; E47-N57 WeakPolarHBondContact O-CB 3.19Å; F48-N57 HydrophobicContact CD1-CB 3.55Å; F48-N57 HydrophobicContact CE1-CB 3.73Å; F48-N57 HydrophobicContact CG-CB 4.17Å; F48-N57 HydrophobicContact CZ-CB 4.47Å; N57-T160 VanDerWaalsContact CG-O 3.24Å; N57-T160 PolarHBondContact ND2-O 3.25Å; N57-T160 PolarHBondContact O-N 2.85Å; N57-T160 PolarHBondContact O-OG1 3.5Å; N57-T160 PolarHBondContact OD1-O 3.12Å; N57-T160 PolarHBondContact OD1-OG1 3.03Å |
| 58 | C | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 178.6 | 173.4 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | K46 E47 N158 | K46-C58 WeakPolarHBondContact CA-O 3.41Å; E47-C58 PolarHBondContact N-O 2.97Å; E47-C58 PolarHBondContact O-N 2.8Å; C58-N158 WeakPolarHBondContact CB-O 3.39Å |
| 59 | L | 94.4 | Very high | 92.5 | Very high | 126 Ų | 126 | 42.6 Ų | 42.6 | 66% | 0.66 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -64.4 | 146.6 | 164.4 | -67.2 | 174.1 | 0 | 0 | 0 | 109.5 | C61 G62 | L59-C61 PolarHBondContact O-N 3.06Å; L59-G62 VanDerWaalsContact O-CA 3.25Å; L59-G62 WeakPolarHBondContact O-CA 3.42Å; L59-G62 PolarHBondContact O-N 3.36Å |
| 60 | P | 93.8 | Very high | 92.5 | Very high | 48 Ų | 48 | 45 Ų | 45 | 31% | 0.312 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 131.5 | 175.8 | -27.9 | 35.3 | 0 | 0 | 0 | 111.9 | F12 V42 G45 G62 | F12-P60 HydrophobicContact CE2-CB 3.81Å; F12-P60 HydrophobicContact CZ-CB 4.13Å; V42-P60 HydrophobicContact CG1-CB 4.48Å; V42-P60 HydrophobicContact CG1-CG 3.85Å; G45-P60 VanDerWaalsContact O-CD 3.24Å; G45-P60 WeakPolarHBondContact O-CD 3.37Å; P60-G62 PolarHBondContact O-N 2.94Å |
| 61 | C | 91.5 | Very high | 92.6 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 21.4 | -173.7 | -44.8 | 0 | 0 | 0 | 0 | 114 | E47 L59 G66 Q67 P68 | E47-C61 PolarHBondContact OE2-N 3.32Å; L59-C61 PolarHBondContact O-N 3.06Å; C61-G66 WeakPolarHBondContact CA-O 3.25Å; C61-G66 VanDerWaalsContact CB-O 3.27Å; C61-G66 WeakPolarHBondContact CB-O 3.46Å; C61-Q67 PolarHBondContact SG-OE1 3.28Å; C61-Q67 VanDerWaalsContact SG-OE1 3.35Å; C61-P68 VanDerWaalsContact SG-CD 3.5Å |
| 62 | G | 87.1 | Confident | 92.8 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 22% | 0.216 | 30% | 0.302 | C | S | . | . | trans | -88 | -5.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L59 P60 N158 | L59-G62 VanDerWaalsContact O-CA 3.25Å; L59-G62 WeakPolarHBondContact O-CA 3.42Å; L59-G62 PolarHBondContact O-N 3.36Å; P60-G62 PolarHBondContact O-N 2.94Å; G62-N158 PolarHBondContact O-N 3Å; G62-N158 VanDerWaalsContact O-N 3.15Å | ||
| 63 | T | 89.6 | Confident | 93.2 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -84 | 169.3 | 173.8 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | F49 L65 G66 P155 G156 | F49-T63 HydrophobicContact CE1-CG2 3.82Å; F49-T63 HydrophobicContact CZ-CG2 4.07Å; T63-L65 PolarHBondContact O-N 2.87Å; T63-L65 VanDerWaalsContact O-N 3.12Å; T63-L65 WeakPolarHBondContact OG1-CB 3.41Å; T63-L65 PolarHBondContact OG1-N 2.81Å; T63-G66 PolarHBondContact O-N 2.85Å; T63-G66 VanDerWaalsContact O-N 3.1Å; T63-P155 HydrophobicContact CG2-CB 4.08Å; T63-G156 CarbonylContact C-O 3.52Å; T63-G156 VanDerWaalsContact CA-O 3.29Å; T63-G156 WeakPolarHBondContact CA-O 3.49Å; T63-G156 WeakPolarHBondContact CB-O 3.42Å |
| 64 | I | 87.4 | Confident | 93.6 | Very high | 132 Ų | 132 | 52.3 Ų | 52.3 | 68% | 0.677 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -16.3 | 172.5 | 61 | 166.9 | 0 | 0 | 0 | 113.3 | G66 G156 | I64-G66 PolarHBondContact O-N 2.9Å; I64-G156 WeakPolarHBondContact CG2-O 3.45Å; I64-G156 PolarHBondContact N-O 3.48Å |
| 65 | L | 89.2 | Confident | 93.7 | Very high | 55 Ų | 55 | 53.2 Ų | 53.2 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.2 | 177.3 | -55.6 | 178.7 | 0 | 0 | 0 | 111.7 | Y14 L16 H38 T63 Q67 P155 | Y14-L65 HydrophobicContact CD1-CB 3.73Å; Y14-L65 HydrophobicContact CD1-CD1 4.19Å; Y14-L65 HydrophobicContact CD2-CD1 4.33Å; Y14-L65 HydrophobicContact CE1-CB 3.95Å; Y14-L65 HydrophobicContact CG-CB 4.37Å; Y14-L65 HydrophobicContact CG-CD1 3.99Å; L16-L65 HydrophobicContact CD2-CD1 3.89Å; L16-L65 HydrophobicContact CD2-CD2 3.8Å; H38-L65 WeakPolarHBondContact CD2-CD1 3.47Å; T63-L65 PolarHBondContact O-N 2.87Å; T63-L65 VanDerWaalsContact O-N 3.12Å; T63-L65 WeakPolarHBondContact OG1-CB 3.41Å; T63-L65 PolarHBondContact OG1-N 2.81Å; L65-Q67 PolarHBondContact O-N 3.37Å; L65-P155 HydrophobicContact CD1-CB 3.97Å; L65-P155 HydrophobicContact CD1-CG 4.23Å; L65-P155 HydrophobicContact CG-CB 4.22Å |
| 66 | G | 91.9 | Very high | 93.8 | Very high | 26 Ų | 26 | 59.2 Ų | 59.2 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | trans | 67 | -129 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C61 T63 I64 | C61-G66 WeakPolarHBondContact CA-O 3.25Å; C61-G66 VanDerWaalsContact CB-O 3.27Å; C61-G66 WeakPolarHBondContact CB-O 3.46Å; T63-G66 PolarHBondContact O-N 2.85Å; T63-G66 VanDerWaalsContact O-N 3.1Å; I64-G66 PolarHBondContact O-N 2.9Å | ||
| 67 | Q | 94.1 | Very high | 93.9 | Very high | 146 Ų | 146 | 58.8 Ų | 58.8 | 68% | 0.682 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -77.6 | 136.6 | -177.3 | -66.5 | -65 | -34.6 | 0 | 0 | 111.3 | C61 L65 | C61-Q67 PolarHBondContact SG-OE1 3.28Å; C61-Q67 VanDerWaalsContact SG-OE1 3.35Å; L65-Q67 PolarHBondContact O-N 3.37Å |
| 68 | P | 95.5 | Very high | 94 | Very high | 19 Ų | 19 | 64.4 Ų | 64.4 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | trans | -65.4 | 146.7 | 175.7 | 29.4 | -36.7 | 0 | 0 | 0 | 111.4 | F12 I13 Y14 C61 S70 I71 | F12-P68 HydrophobicContact CB-CB 3.97Å; F12-P68 HydrophobicContact CB-CG 4.33Å; F12-P68 HydrophobicContact CD1-CG 4.31Å; F12-P68 HydrophobicContact CD2-CB 4.17Å; F12-P68 HydrophobicContact CD2-CG 3.71Å; F12-P68 HydrophobicContact CE2-CG 3.96Å; F12-P68 HydrophobicContact CG-CB 4.08Å; F12-P68 HydrophobicContact CG-CG 3.87Å; F12-P68 HydrophobicContact CZ-CG 4.37Å; I13-P68 CarbonylContact O-C 3.58Å; Y14-P68 HydrophobicContact CD1-CB 4.15Å; Y14-P68 VanDerWaalsContact CE1-CA 3.42Å; Y14-P68 HydrophobicContact CE1-CB 3.76Å; Y14-P68 HydrophobicContact CE2-CB 4.4Å; C61-P68 VanDerWaalsContact SG-CD 3.5Å; P68-S70 VanDerWaalsContact C-N 3.27Å; P68-S70 PolarHBondContact O-N 3.34Å; P68-I71 HydrophobicContact CB-CG1 4.39Å; P68-I71 HydrophobicContact CG-CD1 3.93Å; P68-I71 HydrophobicContact CG-CG1 3.63Å | ||
| 69 | N | 95.4 | Very high | 94.2 | Very high | 108 Ų | 108 | 65.5 Ų | 65.5 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -67.3 | -31.7 | 173.3 | -64.2 | 94.2 | 0 | 0 | 0 | 111.7 | I13 Y14 D15 | I13-N69 PolarHBondContact O-N 2.89Å; Y14-N69 WeakPolarHBondContact CA-OD1 3.18Å; D15-N69 PolarHBondContact N-OD1 3.36Å |
| 70 | S | 95.8 | Very high | 94.3 | Very high | 53 Ų | 53 | 63.1 Ų | 63.1 | 37% | 0.371 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 149.1 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | I13 P68 | I13-S70 PolarHBondContact N-O 3.36Å; I13-S70 PolarHBondContact O-N 3.49Å; I13-S70 VanDerWaalsContact O-N 3.16Å; P68-S70 VanDerWaalsContact C-N 3.27Å; P68-S70 PolarHBondContact O-N 3.34Å |
| 71 | I | 97.3 | Very high | 94.3 | Very high | 80 Ų | 80 | 64.7 Ų | 64.7 | 41% | 0.41 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.4 | 174 | -59.5 | 175.6 | 0 | 0 | 0 | 107.6 | K10 L11 F12 P68 | K10-I71 HydrophobicContact CB-CG2 4.19Å; K10-I71 HydrophobicContact CD-CG2 3.97Å; L11-I71 WeakPolarHBondContact O-CA 3.17Å; F12-I71 HydrophobicContact CD1-CB 4.41Å; F12-I71 HydrophobicContact CD1-CD1 4.29Å; F12-I71 HydrophobicContact CD1-CG1 3.84Å; F12-I71 HydrophobicContact CD1-CG2 4.02Å; F12-I71 HydrophobicContact CE1-CB 4.4Å; F12-I71 HydrophobicContact CE1-CD1 3.68Å; F12-I71 HydrophobicContact CE1-CG1 3.74Å; F12-I71 HydrophobicContact CE1-CG2 3.83Å; F12-I71 HydrophobicContact CZ-CD1 3.98Å; F12-I71 HydrophobicContact CZ-CG1 4.41Å; P68-I71 HydrophobicContact CB-CG1 4.39Å; P68-I71 HydrophobicContact CG-CD1 3.93Å; P68-I71 HydrophobicContact CG-CG1 3.63Å |
| 72 | V | 97.5 | Very high | 94.5 | Very high | 41 Ų | 41 | 69 Ų | 69 | 25% | 0.248 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.5 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | K10 L11 I13 L74 | K10-V72 CarbonylContact C-O 3.49Å; K10-V72 WeakPolarHBondContact CA-O 3.39Å; L11-V72 HydrophobicContact CB-CB 4.2Å; L11-V72 PolarHBondContact N-O 3.44Å; L11-V72 PolarHBondContact O-N 2.93Å; I13-V72 HydrophobicContact CD1-CG2 3.58Å; V72-L74 HydrophobicContact CG1-CD2 4.19Å; V72-L74 PolarHBondContact O-N 3.4Å |
| 73 | D | 97.6 | Very high | 95 | Very high | 116 Ų | 116 | 71.9 Ų | 71.9 | 62% | 0.62 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 119.6 | 172.5 | -67.7 | -64.6 | 0 | 0 | 0 | 110.1 | K10 | K10-D73 VanDerWaalsContact CE-OD1 3.24Å; K10-D73 WeakPolarHBondContact CE-OD1 3.42Å; K10-D73 IonicContact NZ-OD1 3.06Å |
| 74 | L | 97.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 71.4 Ų | 71.4 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -0.5 | -179.1 | -64.1 | 170.3 | 0 | 0 | 0 | 112.3 | V9 L11 V72 V116 K122 | V9-L74 HydrophobicContact CB-CB 4.32Å; V9-L74 HydrophobicContact CG1-CB 4.19Å; V9-L74 HydrophobicContact CG1-CD1 4.18Å; V9-L74 WeakPolarHBondContact O-CB 3.34Å; V9-L74 PolarHBondContact O-N 3.25Å; L11-L74 HydrophobicContact CB-CD1 3.78Å; L11-L74 HydrophobicContact CB-CG 4.31Å; V72-L74 HydrophobicContact CG1-CD2 4.19Å; V72-L74 PolarHBondContact O-N 3.4Å; L74-V116 HydrophobicContact CD1-CB 4.1Å; L74-V116 HydrophobicContact CD1-CG1 3.59Å; L74-V116 HydrophobicContact CD1-CG2 3.3Å; L74-V116 HydrophobicContact CD2-CG1 4.16Å; L74-V116 HydrophobicContact CG-CG1 4.33Å; L74-K122 WeakPolarHBondContact O-CD 3.32Å; L74-K122 WeakPolarHBondContact O-CE 3.43Å; L74-K122 PolarHBondContact O-NZ 3.05Å |
| 75 | G | 96.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 68.3 Ų | 68.3 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.7 | -138 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P8 V9 | P8-G75 WeakPolarHBondContact CA-O 3.23Å; V9-G75 PolarHBondContact N-O 2.98Å |
| 76 | Y | 97.3 | Very high | 96.1 | Very high | 158 Ų | 158 | 72 Ų | 72 | 62% | 0.62 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.6 | -173.5 | -60.5 | -96.6 | 0 | 0 | 0 | 111 | F7 P8 | F7-Y76 CarbonylContact O-C 3.59Å; F7-Y76 WeakPolarHBondContact O-CA 3.36Å; P8-Y76 HydrophobicContact CB-CD1 4.17Å; P8-Y76 HydrophobicContact CB-CE1 3.96Å |
| 77 | T | 97.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.025 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 149 | 173 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | S6 F7 V9 V43 V79 L119 | S6-T77 CarbonylContact C-O 3.56Å; S6-T77 VanDerWaalsContact CA-O 3.29Å; S6-T77 WeakPolarHBondContact CA-O 3.33Å; F7-T77 HydrophobicContact CB-CG2 4.04Å; F7-T77 HydrophobicContact CD2-CG2 4.5Å; F7-T77 PolarHBondContact N-O 2.79Å; F7-T77 PolarHBondContact O-N 3.47Å; V9-T77 HydrophobicContact CG2-CG2 3.69Å; V43-T77 HydrophobicContact CG2-CG2 4.07Å; T77-V79 HydrophobicContact CG2-CB 4.45Å; T77-V79 WeakPolarHBondContact OG1-CB 3.3Å; T77-V79 WeakPolarHBondContact OG1-CG2 3.18Å; T77-V79 PolarHBondContact OG1-N 3.27Å; T77-L119 WeakPolarHBondContact CB-O 3.39Å; T77-L119 HydrophobicContact CG2-CD2 4.22Å; T77-L119 PolarHBondContact OG1-O 2.91Å |
| 78 | E | 96.3 | Very high | 96.5 | Very high | 146 Ų | 146 | 66.2 Ų | 66.2 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | trans | -96.6 | -3.7 | 169.4 | -63.1 | -178.6 | 173.5 | 0 | 0 | 111.8 | N80 | E78-N80 PolarHBondContact O-N 3.45Š| ||
| 79 | V | 96.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 69 Ų | 69 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | trans | -63.9 | 125.9 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 108 | F7 H44 T77 L83 F84 F118 L119 | F7-V79 WeakPolarHBondContact CD2-O 3.46Å; H44-V79 PolarHBondContact CE1-O 3.22Å; H44-V79 VanDerWaalsContact CE1-O 3.28Å; H44-V79 PolarHBondContact NE2-O 3.16Å; T77-V79 HydrophobicContact CG2-CB 4.45Å; T77-V79 WeakPolarHBondContact OG1-CB 3.3Å; T77-V79 WeakPolarHBondContact OG1-CG2 3.18Å; T77-V79 PolarHBondContact OG1-N 3.27Å; V79-L83 HydrophobicContact CG1-CB 4.12Å; V79-L83 HydrophobicContact CG1-CD2 4.08Å; V79-L83 HydrophobicContact CG1-CG 4.07Å; V79-F84 HydrophobicContact CG1-CB 3.94Å; V79-F118 HydrophobicContact CG1-CE1 3.99Å; V79-F118 HydrophobicContact CG1-CZ 4.46Å; V79-F118 HydrophobicContact CG2-CE1 4.26Å; V79-L119 HydrophobicContact CB-CD2 3.98Å; V79-L119 HydrophobicContact CG1-CD2 4.14Å; V79-L119 HydrophobicContact CG2-CD2 4.29Å | ||
| 80 | N | 95.8 | Very high | 96.6 | Very high | 76 Ų | 76 | 66.6 Ų | 66.6 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | trans | -84.5 | 168 | 176.3 | 66.6 | 38 | 0 | 0 | 0 | 111 | F7 E78 D82 L83 F84 | F7-N80 HydrophobicContact CE2-CB 4.48Å; E78-N80 PolarHBondContact O-N 3.45Å; N80-D82 VanDerWaalsContact C-N 3.33Å; N80-D82 PolarHBondContact O-N 3.08Å; N80-D82 PolarHBondContact OD1-N 2.97Å; N80-L83 PolarHBondContact O-N 3.13Å; N80-L83 WeakPolarHBondContact OD1-CB 3.47Å; N80-L83 PolarHBondContact OD1-N 2.84Å; N80-F84 WeakPolarHBondContact O-CB 3.33Å; N80-F84 PolarHBondContact O-N 3.05Å | ||
| 81 | E | 95.3 | Very high | 96.6 | Very high | 81 Ų | 81 | 64.9 Ų | 64.9 | 38% | 0.379 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | -174.6 | -171.4 | 172.3 | 180 | 0 | 0 | 112.7 | H44 K46 F84 Q85 | H44-E81 HydrophobicContact CB-CB 4.4Å; H44-E81 HydrophobicContact CB-CG 4.22Å; K46-E81 IonicContact NZ-OE1 3.8Å; K46-E81 PolarHBondContact NZ-OE1 2.77Å; E81-F84 PolarHBondContact O-N 3.46Å; E81-Q85 WeakPolarHBondContact O-CB 3.32Å; E81-Q85 PolarHBondContact O-N 3.25Å |
| 82 | D | 95.3 | Very high | 96.5 | Very high | 122 Ų | 122 | 62.9 Ų | 62.9 | 65% | 0.652 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.5 | -49.4 | -179.6 | -62.3 | -31.9 | 0 | 0 | 0 | 111.3 | N80 F84 Q85 E86 | N80-D82 VanDerWaalsContact C-N 3.33Å; N80-D82 PolarHBondContact O-N 3.08Å; N80-D82 PolarHBondContact OD1-N 2.97Å; D82-F84 VanDerWaalsContact C-N 3.28Å; D82-F84 PolarHBondContact O-N 3.04Å; D82-Q85 PolarHBondContact O-N 2.66Å; D82-E86 PolarHBondContact O-N 2.93Å |
| 83 | L | 96.6 | Very high | 96.3 | Very high | 80 Ų | 80 | 68.6 Ų | 68.6 | 42% | 0.419 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 177.5 | -179.5 | 61.5 | 0 | 0 | 0 | 111.5 | V79 N80 Y87 | V79-L83 HydrophobicContact CG1-CB 4.12Å; V79-L83 HydrophobicContact CG1-CD2 4.08Å; V79-L83 HydrophobicContact CG1-CG 4.07Å; N80-L83 PolarHBondContact O-N 3.13Å; N80-L83 WeakPolarHBondContact OD1-CB 3.47Å; N80-L83 PolarHBondContact OD1-N 2.84Å; L83-Y87 PolarHBondContact O-N 3.36Å |
| 84 | F | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 175.6 | -175.8 | -129.5 | 0 | 0 | 0 | 111.7 | V43 F48 V79 N80 E81 D82 Y87 L88 V115 F118 L119 | V43-F84 HydrophobicContact CG1-CD1 3.86Å; V43-F84 HydrophobicContact CG1-CE1 3.39Å; V43-F84 HydrophobicContact CG1-CZ 3.99Å; F48-F84 HydrophobicContact CD1-CE1 4.27Å; F48-F84 AromaticContact CD2-CE1 3.83Å; F48-F84 HydrophobicContact CD2-CE1 3.83Å; F48-F84 HydrophobicContact CD2-CZ 4.42Å; F48-F84 HydrophobicContact CE1-CE1 4.1Å; F48-F84 HydrophobicContact CE2-CD1 4.36Å; F48-F84 AromaticContact CE2-CE1 3.63Å; F48-F84 HydrophobicContact CE2-CE1 3.63Å; F48-F84 HydrophobicContact CG-CE1 4.15Å; F48-F84 HydrophobicContact CZ-CD1 4.23Å; F48-F84 AromaticContact CZ-CE1 3.77Å; F48-F84 HydrophobicContact CZ-CE1 3.77Å; V79-F84 HydrophobicContact CG1-CB 3.94Å; N80-F84 WeakPolarHBondContact O-CB 3.33Å; N80-F84 PolarHBondContact O-N 3.05Å; E81-F84 PolarHBondContact O-N 3.46Å; D82-F84 VanDerWaalsContact C-N 3.28Å; D82-F84 PolarHBondContact O-N 3.04Å; F84-Y87 HydrophobicContact CD2-CD1 4.11Å; F84-Y87 HydrophobicContact CE2-CD1 4.07Å; F84-Y87 WeakPolarHBondContact O-CB 3.39Å; F84-Y87 PolarHBondContact O-N 2.89Å; F84-L88 HydrophobicContact CD1-CD1 4.07Å; F84-L88 HydrophobicContact CD2-CG 4.33Å; F84-L88 HydrophobicContact CE1-CD1 3.64Å; F84-L88 HydrophobicContact CE1-CG 4.24Å; F84-L88 HydrophobicContact CE2-CD1 4.26Å; F84-L88 HydrophobicContact CE2-CD2 3.97Å; F84-L88 HydrophobicContact CE2-CG 3.94Å; F84-L88 HydrophobicContact CZ-CD1 3.74Å; F84-L88 HydrophobicContact CZ-CD2 3.88Å; F84-L88 HydrophobicContact CZ-CG 3.9Å; F84-L88 WeakPolarHBondContact O-CG 3.17Å; F84-L88 PolarHBondContact O-N 2.89Å; F84-V115 HydrophobicContact CE2-CG1 3.78Å; F84-V115 HydrophobicContact CZ-CG1 3.76Å; F84-F118 HydrophobicContact CD2-CD1 4.42Å; F84-F118 HydrophobicContact CD2-CE1 4.28Å; F84-L119 HydrophobicContact CD2-CD2 3.68Å; F84-L119 HydrophobicContact CD2-CG 4.35Å; F84-L119 HydrophobicContact CE2-CD1 4.02Å; F84-L119 HydrophobicContact CE2-CD2 3.96Å; F84-L119 HydrophobicContact CE2-CG 4.13Å; F84-L119 HydrophobicContact CG-CD2 4.24Å; F84-L119 HydrophobicContact CZ-CD1 4.15Å |
| 85 | Q | 96.3 | Very high | 95.9 | Very high | 67 Ų | 67 | 70.9 Ų | 70.9 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 176.2 | -171.3 | 61.4 | 57.9 | 0 | 0 | 111.5 | E81 D82 Y87 L88 D89 | E81-Q85 WeakPolarHBondContact O-CB 3.32Å; E81-Q85 PolarHBondContact O-N 3.25Å; D82-Q85 PolarHBondContact O-N 2.66Å; Q85-Y87 VanDerWaalsContact C-N 3.28Å; Q85-Y87 PolarHBondContact O-N 3.48Å; Q85-L88 PolarHBondContact O-N 3.33Å; Q85-L88 VanDerWaalsContact O-N 3.15Å; Q85-D89 PolarHBondContact NE2-OD1 3.39Å; Q85-D89 VanDerWaalsContact O-CG 3.23Å; Q85-D89 PolarHBondContact O-N 3.15Å |
| 86 | E | 96.9 | Very high | 95.9 | Very high | 133 Ų | 133 | 69.8 Ų | 69.8 | 62% | 0.621 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -57.8 | -41.8 | 174.4 | -72.3 | 177.6 | -169.3 | 0 | 0 | 111.9 | D82 D89 S90 | D82-E86 PolarHBondContact O-N 2.93Å; E86-D89 PolarHBondContact O-N 2.73Å; E86-S90 PolarHBondContact O-N 3.41Å |
| 87 | Y | 97.3 | Very high | 95.7 | Very high | 45 Ų | 45 | 67.1 Ų | 67.1 | 18% | 0.176 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 174.4 | 171.5 | -108.2 | 0 | 0 | 0 | 111.8 | L83 F84 Q85 D89 S90 L91 V115 F118 | L83-Y87 PolarHBondContact O-N 3.36Å; F84-Y87 HydrophobicContact CD2-CD1 4.11Å; F84-Y87 HydrophobicContact CE2-CD1 4.07Å; F84-Y87 WeakPolarHBondContact O-CB 3.39Å; F84-Y87 PolarHBondContact O-N 2.89Å; Q85-Y87 VanDerWaalsContact C-N 3.28Å; Q85-Y87 PolarHBondContact O-N 3.48Å; Y87-D89 VanDerWaalsContact C-N 3.35Å; Y87-D89 PolarHBondContact O-N 2.79Å; Y87-S90 PolarHBondContact O-N 3.34Å; Y87-S90 PolarHBondContact O-OG 2.91Å; Y87-L91 HydrophobicContact CD1-CD1 4.22Å; Y87-L91 HydrophobicContact CE1-CD1 3.54Å; Y87-L91 HydrophobicContact CE1-CG 4.27Å; Y87-L91 HydrophobicContact CE2-CD1 4.17Å; Y87-L91 HydrophobicContact CE2-CD2 4.24Å; Y87-L91 HydrophobicContact CE2-CG 4.1Å; Y87-L91 WeakPolarHBondContact O-CG 3.47Å; Y87-L91 PolarHBondContact O-N 3.18Å; Y87-V115 HydrophobicContact CE1-CG2 4.25Å; Y87-F118 AromaticContact CD1-CD1 3.52Å; Y87-F118 HydrophobicContact CD1-CD1 3.52Å; Y87-F118 AromaticContact CD1-CE1 3.7Å; Y87-F118 HydrophobicContact CD1-CE1 3.7Å; Y87-F118 HydrophobicContact CD1-CG 4.03Å; Y87-F118 HydrophobicContact CD1-CZ 4.35Å; Y87-F118 HydrophobicContact CD2-CD1 4.29Å; Y87-F118 HydrophobicContact CD2-CD2 4.03Å; Y87-F118 HydrophobicContact CD2-CE1 4.22Å; Y87-F118 AromaticContact CD2-CE2 3.96Å; Y87-F118 HydrophobicContact CD2-CE2 3.96Å; Y87-F118 HydrophobicContact CD2-CG 4.2Å; Y87-F118 HydrophobicContact CD2-CZ 4.05Å; Y87-F118 HydrophobicContact CE1-CB 3.9Å; Y87-F118 AromaticContact CE1-CD1 3.63Å; Y87-F118 HydrophobicContact CE1-CD1 3.63Å; Y87-F118 HydrophobicContact CE1-CD2 4.49Å; Y87-F118 HydrophobicContact CE1-CE1 4.27Å; Y87-F118 AromaticContact CE1-CG 3.75Å; Y87-F118 HydrophobicContact CE1-CG 3.75Å; Y87-F118 HydrophobicContact CE2-CB 4.34Å; Y87-F118 HydrophobicContact CE2-CD1 4.4Å; Y87-F118 AromaticContact CE2-CD2 3.9Å; Y87-F118 HydrophobicContact CE2-CD2 3.9Å; Y87-F118 HydrophobicContact CE2-CE2 4.29Å; Y87-F118 AromaticContact CE2-CG 3.96Å; Y87-F118 HydrophobicContact CE2-CG 3.96Å; Y87-F118 AromaticContact CG-CD1 3.86Å; Y87-F118 HydrophobicContact CG-CD1 3.86Å; Y87-F118 HydrophobicContact CG-CD2 4.39Å; Y87-F118 AromaticContact CG-CE1 3.65Å; Y87-F118 HydrophobicContact CG-CE1 3.65Å; Y87-F118 HydrophobicContact CG-CE2 4.21Å; Y87-F118 HydrophobicContact CG-CG 4.22Å; Y87-F118 AromaticContact CG-CZ 3.84Å; Y87-F118 HydrophobicContact CG-CZ 3.84Å; Y87-F118 AromaticContact CZ-CG 3.71Å |
| 88 | L | 97 | Very high | 95.3 | Very high | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 178.2 | -70.5 | 177.9 | 0 | 0 | 0 | 112.4 | F48 I55 F84 Q85 S90 L91 A92 F111 V115 | F48-L88 HydrophobicContact CD1-CD1 3.43Å; F48-L88 VanDerWaalsContact CD1-CD1 3.43Å; F48-L88 HydrophobicContact CE1-CD1 3.48Å; F48-L88 VanDerWaalsContact CE1-CD1 3.48Å; F48-L88 HydrophobicContact CG-CD1 4.29Å; F48-L88 HydrophobicContact CZ-CD1 4.36Å; I55-L88 HydrophobicContact CD1-CD2 4.4Å; I55-L88 WeakPolarHBondContact CD1-O 3.31Å; I55-L88 HydrophobicContact CG2-CD2 4.31Å; F84-L88 HydrophobicContact CD1-CD1 4.07Å; F84-L88 HydrophobicContact CD2-CG 4.33Å; F84-L88 HydrophobicContact CE1-CD1 3.64Å; F84-L88 HydrophobicContact CE1-CG 4.24Å; F84-L88 HydrophobicContact CE2-CD1 4.26Å; F84-L88 HydrophobicContact CE2-CD2 3.97Å; F84-L88 HydrophobicContact CE2-CG 3.94Å; F84-L88 HydrophobicContact CZ-CD1 3.74Å; F84-L88 HydrophobicContact CZ-CD2 3.88Å; F84-L88 HydrophobicContact CZ-CG 3.9Å; F84-L88 WeakPolarHBondContact O-CG 3.17Å; F84-L88 PolarHBondContact O-N 2.89Å; Q85-L88 PolarHBondContact O-N 3.33Å; Q85-L88 VanDerWaalsContact O-N 3.15Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-L91 WeakPolarHBondContact O-CB 3.37Å; L88-L91 PolarHBondContact O-N 2.97Å; L88-A92 WeakPolarHBondContact O-CB 3.34Å; L88-A92 PolarHBondContact O-N 3.13Å; L88-F111 HydrophobicContact CD2-CE2 4.02Å; L88-F111 HydrophobicContact CD2-CZ 3.85Å; L88-V115 HydrophobicContact CD2-CG2 4.25Å |
| 89 | D | 96.2 | Very high | 95 | Very high | 78 Ų | 78 | 67 Ų | 67 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 177.3 | -67.6 | -13.7 | 0 | 0 | 0 | 110.3 | Q85 E86 Y87 L91 A92 E93 | Q85-D89 PolarHBondContact NE2-OD1 3.39Å; Q85-D89 VanDerWaalsContact O-CG 3.23Å; Q85-D89 PolarHBondContact O-N 3.15Å; E86-D89 PolarHBondContact O-N 2.73Å; Y87-D89 VanDerWaalsContact C-N 3.35Å; Y87-D89 PolarHBondContact O-N 2.79Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.24Å; D89-A92 PolarHBondContact O-N 3.15Å; D89-E93 WeakPolarHBondContact O-CG 3.31Å; D89-E93 PolarHBondContact O-N 2.92Å |
| 90 | S | 96.7 | Very high | 94.7 | Very high | 57 Ų | 57 | 67.8 Ų | 67.8 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 175.6 | 80.3 | 0 | 0 | 0 | 0 | 112.8 | E86 Y87 L88 S94 | E86-S90 PolarHBondContact O-N 3.41Å; Y87-S90 PolarHBondContact O-N 3.34Å; Y87-S90 PolarHBondContact O-OG 2.91Å; L88-S90 VanDerWaalsContact C-N 3.33Å; S90-S94 WeakPolarHBondContact O-CB 3.44Å; S90-S94 PolarHBondContact O-N 3.46Å; S90-S94 PolarHBondContact O-OG 3.15Å |
| 91 | L | 96 | Very high | 94.6 | Very high | 18 Ų | 18 | 65.3 Ų | 65.3 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 174.9 | -73.8 | -173.1 | 0 | 0 | 0 | 111.4 | I55 Y87 L88 D89 E93 S94 E95 Y96 F111 V115 | I55-L91 HydrophobicContact CD1-CB 3.72Å; Y87-L91 HydrophobicContact CD1-CD1 4.22Å; Y87-L91 HydrophobicContact CE1-CD1 3.54Å; Y87-L91 HydrophobicContact CE1-CG 4.27Å; Y87-L91 HydrophobicContact CE2-CD1 4.17Å; Y87-L91 HydrophobicContact CE2-CD2 4.24Å; Y87-L91 HydrophobicContact CE2-CG 4.1Å; Y87-L91 WeakPolarHBondContact O-CG 3.47Å; Y87-L91 PolarHBondContact O-N 3.18Å; L88-L91 WeakPolarHBondContact O-CB 3.37Å; L88-L91 PolarHBondContact O-N 2.97Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-L91 PolarHBondContact O-N 3.24Å; L91-E93 VanDerWaalsContact C-N 3.29Å; L91-E93 PolarHBondContact O-N 3.04Å; L91-S94 CarbonylContact O-C 3.08Å; L91-S94 PolarHBondContact O-N 3.28Å; L91-E95 PolarHBondContact O-N 3.14Å; L91-E95 VanDerWaalsContact O-N 3.16Å; L91-Y96 HydrophobicContact CB-CD2 3.9Å; L91-Y96 HydrophobicContact CD1-CD2 4Å; L91-Y96 HydrophobicContact CD1-CE2 4.19Å; L91-Y96 HydrophobicContact CD2-CD2 3.97Å; L91-Y96 HydrophobicContact CD2-CE2 4.16Å; L91-Y96 HydrophobicContact CG-CD2 4.18Å; L91-Y96 PolarHBondContact O-N 2.95Å; L91-F111 HydrophobicContact CD1-CE2 4.38Å; L91-V115 HydrophobicContact CD1-CG2 4.48Å |
| 92 | A | 94.6 | Very high | 94.3 | Very high | 37 Ų | 37 | 63 Ų | 63 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -34 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | I55 L88 D89 R97 | I55-A92 HydrophobicContact CD1-CB 4.09Å; L88-A92 WeakPolarHBondContact O-CB 3.34Å; L88-A92 PolarHBondContact O-N 3.13Å; D89-A92 PolarHBondContact O-N 3.15Å; A92-R97 WeakPolarHBondContact O-CG 3.47Å |
| 93 | E | 93.6 | Very high | 93.8 | Very high | 162 Ų | 162 | 59.3 Ų | 59.3 | 76% | 0.757 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -77.7 | -27.3 | 176.5 | -69.8 | -179.3 | 179 | 0 | 0 | 113.1 | D89 L91 | D89-E93 WeakPolarHBondContact O-CG 3.31Å; D89-E93 PolarHBondContact O-N 2.92Å; L91-E93 VanDerWaalsContact C-N 3.29Å; L91-E93 PolarHBondContact O-N 3.04Å |
| 94 | S | 93 | Very high | 93.2 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -96.7 | -175.6 | 59.1 | 0 | 0 | 0 | 0 | 112 | S90 L91 R97 | S90-S94 WeakPolarHBondContact O-CB 3.44Å; S90-S94 PolarHBondContact O-N 3.46Å; S90-S94 PolarHBondContact O-OG 3.15Å; L91-S94 CarbonylContact O-C 3.08Å; L91-S94 PolarHBondContact O-N 3.28Å; S94-R97 PolarHBondContact O-NH1 2.69Å |
| 95 | E | 93.3 | Very high | 92.6 | Very high | 125 Ų | 125 | 62.2 Ų | 62.2 | 58% | 0.584 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -33.6 | -166.5 | -60.3 | -63.9 | 113.6 | 0 | 0 | 113 | L91 T100 H106 | L91-E95 PolarHBondContact O-N 3.14Å; L91-E95 VanDerWaalsContact O-N 3.16Å; E95-T100 WeakPolarHBondContact O-CB 3.47Å; E95-T100 PolarHBondContact O-OG1 3.03Å; E95-H106 PolarHBondContact O-NE2 2.89Å; E95-H106 VanDerWaalsContact O-NE2 3.1Å |
| 96 | Y | 95.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | trans | -107.6 | 44.3 | -167.8 | -70.9 | -80.2 | 0 | 0 | 0 | 113.3 | F50 I55 L91 H106 T110 F111 D114 | F50-Y96 HydrophobicContact CB-CD1 4.32Å; F50-Y96 AromaticContact CD1-CD1 3.69Å; F50-Y96 HydrophobicContact CD1-CD1 3.69Å; F50-Y96 HydrophobicContact CD1-CE1 4.11Å; F50-Y96 AromaticContact CD2-CD1 3.9Å; F50-Y96 HydrophobicContact CD2-CD1 3.9Å; F50-Y96 HydrophobicContact CD2-CG 4.49Å; F50-Y96 AromaticContact CE1-CD1 3.85Å; F50-Y96 HydrophobicContact CE1-CD1 3.85Å; F50-Y96 HydrophobicContact CE1-CE1 4.39Å; F50-Y96 HydrophobicContact CE2-CD1 4.08Å; F50-Y96 VanDerWaalsContact CE2-O 3.32Å; F50-Y96 WeakPolarHBondContact CE2-O 3.36Å; F50-Y96 AromaticContact CG-CD1 3.71Å; F50-Y96 HydrophobicContact CG-CD1 3.71Å; F50-Y96 HydrophobicContact CG-CE1 4.42Å; F50-Y96 HydrophobicContact CZ-CD1 4.06Å; I55-Y96 HydrophobicContact CD1-CG 4.42Å; L91-Y96 HydrophobicContact CB-CD2 3.9Å; L91-Y96 HydrophobicContact CD1-CD2 4Å; L91-Y96 HydrophobicContact CD1-CE2 4.19Å; L91-Y96 HydrophobicContact CD2-CD2 3.97Å; L91-Y96 HydrophobicContact CD2-CE2 4.16Å; L91-Y96 HydrophobicContact CG-CD2 4.18Å; L91-Y96 PolarHBondContact O-N 2.95Å; Y96-H106 AromaticContact CD1-CE1 3.92Å; Y96-H106 AromaticContact CD1-NE2 3.36Å; Y96-H106 WeakPolarHBondContact CD1-NE2 3.43Å; Y96-H106 AromaticContact CE1-CE1 3.46Å; Y96-H106 VanDerWaalsContact CE1-CE1 3.46Å; Y96-H106 WeakPolarHBondContact CE1-CE1 3.5Å; Y96-H106 AromaticContact CE1-NE2 3.36Å; Y96-H106 WeakPolarHBondContact CE1-NE2 3.49Å; Y96-H106 AromaticContact CG-NE2 3.96Å; Y96-H106 AromaticContact CZ-CE1 3.65Å; Y96-H106 AromaticContact CZ-NE2 3.97Å; Y96-T110 PolarHBondContact OH-O 3.05Å; Y96-F111 HydrophobicContact CD1-CB 3.94Å; Y96-F111 AromaticContact CD1-CD2 3.78Å; Y96-F111 HydrophobicContact CD1-CD2 3.78Å; Y96-F111 HydrophobicContact CD1-CG 4.3Å; Y96-F111 HydrophobicContact CD2-CD2 4.33Å; Y96-F111 VanDerWaalsContact CE1-CA 3.46Å; Y96-F111 HydrophobicContact CE1-CB 3.43Å; Y96-F111 VanDerWaalsContact CE1-CB 3.43Å; Y96-F111 AromaticContact CE1-CD2 3.88Å; Y96-F111 HydrophobicContact CE1-CD2 3.88Å; Y96-F111 HydrophobicContact CE1-CG 4.16Å; Y96-F111 HydrophobicContact CE2-CD2 4.39Å; Y96-F111 HydrophobicContact CG-CD2 4.01Å; Y96-F111 WeakPolarHBondContact OH-CA 3.21Å; Y96-F111 PolarHBondContact OH-N 3.15Å; Y96-D114 PolarHBondContact OH-OD2 3.4Å | ||
| 97 | R | 93.3 | Very high | 92.3 | Very high | 102 Ų | 102 | 54.6 Ų | 54.6 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | trans | -74.7 | 154.5 | 168 | -62.3 | -174.7 | -43.7 | -88.7 | -0.7 | 110.4 | F50 A92 S94 D99 T100 | F50-R97 WeakPolarHBondContact CE2-O 3.5Å; F50-R97 WeakPolarHBondContact CZ-O 3.39Å; A92-R97 WeakPolarHBondContact O-CG 3.47Å; S94-R97 PolarHBondContact O-NH1 2.69Å; R97-D99 WeakPolarHBondContact CB-OD1 3.05Å; R97-D99 IonicContact CZ-OD1 3.76Å; R97-D99 IonicContact NE-OD1 3.02Å; R97-D99 PolarHBondContact NE-OD1 3.02Å; R97-D99 IonicContact NE-OD2 3.81Å; R97-D99 IonicContact NH2-OD1 3.68Å; R97-D99 IonicContact NH2-OD2 3.65Å; R97-D99 PolarHBondContact O-N 2.84Å; R97-T100 HydrophobicContact CB-CG2 4.19Å; R97-T100 PolarHBondContact N-OG1 3.18Å; R97-T100 VanDerWaalsContact NH2-CG2 3.29Å; R97-T100 PolarHBondContact O-N 3.38Å; R97-T100 VanDerWaalsContact O-N 3.09Å; R97-T100 PolarHBondContact O-OG1 3.25Å | ||
| 98 | G | 89.4 | Confident | 92.2 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 24% | 0.237 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -59.5 | -32.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G52 G54 T100 Y101 | G52-G98 CarbonylContact O-C 3.02Å; G52-G98 WeakPolarHBondContact O-CA 3.27Å; G54-G98 VanDerWaalsContact N-CA 3.31Å; G98-T100 VanDerWaalsContact C-N 3.28Å; G98-T100 PolarHBondContact O-N 3.47Å; G98-Y101 WeakPolarHBondContact O-CB 3.35Å; G98-Y101 PolarHBondContact O-N 2.91Å |
| 99 | D | 89.4 | Confident | 92.1 | Very high | 124 Ų | 124 | 52.8 Ų | 52.8 | 66% | 0.663 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -75.4 | -11.1 | 179.2 | 69.2 | -36.3 | 0 | 0 | 0 | 114.1 | R97 | R97-D99 WeakPolarHBondContact CB-OD1 3.05Å; R97-D99 IonicContact CZ-OD1 3.76Å; R97-D99 IonicContact NE-OD1 3.02Å; R97-D99 PolarHBondContact NE-OD1 3.02Å; R97-D99 IonicContact NE-OD2 3.81Å; R97-D99 IonicContact NH2-OD1 3.68Å; R97-D99 IonicContact NH2-OD2 3.65Å; R97-D99 PolarHBondContact O-N 2.84Å |
| 100 | T | 91.2 | Very high | 92.1 | Very high | 39 Ų | 39 | 51 Ų | 51 | 24% | 0.239 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -92.6 | -3.5 | 175.7 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | E95 R97 G98 N102 H106 | E95-T100 WeakPolarHBondContact O-CB 3.47Å; E95-T100 PolarHBondContact O-OG1 3.03Å; R97-T100 HydrophobicContact CB-CG2 4.19Å; R97-T100 PolarHBondContact N-OG1 3.18Å; R97-T100 VanDerWaalsContact NH2-CG2 3.29Å; R97-T100 PolarHBondContact O-N 3.38Å; R97-T100 VanDerWaalsContact O-N 3.09Å; R97-T100 PolarHBondContact O-OG1 3.25Å; G98-T100 VanDerWaalsContact C-N 3.28Å; G98-T100 PolarHBondContact O-N 3.47Å; T100-N102 PolarHBondContact O-N 2.87Å; T100-H106 PolarHBondContact O-CD2 3.07Å |
| 101 | Y | 91.6 | Very high | 92.2 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 9% | 0.094 | 25% | 0.25 | C | S | . | . | trans | -62.3 | 123.5 | 179.7 | -173.2 | -80.5 | 0 | 0 | 0 | 111.2 | F50 G98 M103 N107 A152 V153 | F50-Y101 AromaticContact CD1-CD2 3.75Å; F50-Y101 HydrophobicContact CD1-CD2 3.75Å; F50-Y101 HydrophobicContact CD1-CE2 4.21Å; F50-Y101 AromaticContact CE1-CD2 3.48Å; F50-Y101 HydrophobicContact CE1-CD2 3.48Å; F50-Y101 VanDerWaalsContact CE1-CD2 3.48Å; F50-Y101 HydrophobicContact CE1-CE2 4.32Å; F50-Y101 HydrophobicContact CE1-CG 4.18Å; F50-Y101 HydrophobicContact CG-CD2 4.49Å; F50-Y101 HydrophobicContact CZ-CD2 4.02Å; F50-Y101 HydrophobicContact CZ-CG 4.47Å; G98-Y101 WeakPolarHBondContact O-CB 3.35Å; G98-Y101 PolarHBondContact O-N 2.91Å; Y101-M103 HydrophobicContact CE1-CB 4.47Å; Y101-N107 HydrophobicContact CE2-CB 4.11Å; Y101-A152 HydrophobicContact CD1-CB 3.82Å; Y101-A152 HydrophobicContact CE1-CB 4.31Å; Y101-A152 HydrophobicContact CG-CB 4.44Å; Y101-V153 VanDerWaalsContact OH-CB 3.32Å; Y101-V153 WeakPolarHBondContact OH-CB 3.44Å; Y101-V153 VanDerWaalsContact OH-CG2 3.31Å; Y101-V153 WeakPolarHBondContact OH-CG2 3.36Å | ||
| 102 | N | 89 | Confident | 92.2 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -130.3 | 126.3 | 169.8 | 179 | -75.1 | 0 | 0 | 0 | 109.7 | T100 F104 E105 H106 N107 D149 | T100-N102 PolarHBondContact O-N 2.87Å; N102-F104 PolarHBondContact O-N 2.82Å; N102-F104 PolarHBondContact OD1-N 3.03Å; N102-E105 PolarHBondContact OD1-N 2.99Å; N102-H106 CarbonylContact C-O 3.6Å; N102-H106 HydrophobicContact CB-CB 4.28Å; N102-H106 PolarHBondContact N-O 3.05Å; N102-H106 CarbonylContact O-C 3.59Å; N102-H106 PolarHBondContact O-N 3.25Å; N102-N107 WeakPolarHBondContact O-CB 3.24Å; N102-N107 PolarHBondContact O-N 3.39Å; N102-D149 PolarHBondContact ND2-OD1 3.23Å |
| 103 | M | 85.4 | Confident | 92.4 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 22% | 0.217 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31 | -175.5 | -177.4 | 174 | -74.1 | 0 | 0 | 114.3 | Y101 N107 L148 M151 V153 | Y101-M103 HydrophobicContact CE1-CB 4.47Å; M103-N107 PolarHBondContact O-ND2 3.13Å; M103-L148 HydrophobicContact SD-CB 4.08Å; M103-L148 HydrophobicContact SD-CD2 3.83Å; M103-L148 HydrophobicContact SD-CG 4.36Å; M103-M151 HydrophobicContact CE-CB 3.44Å; M103-M151 VanDerWaalsContact CE-CB 3.44Å; M103-M151 HydrophobicContact CE-CG 4.39Å; M103-M151 HydrophobicContact CE-SD 4.12Å; M103-V153 HydrophobicContact CE-CG2 4.11Å |
| 104 | F | 83.6 | Confident | 92.6 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -43.5 | -175.8 | -64.9 | -61.6 | 0 | 0 | 0 | 113.9 | N102 P132 I135 L136 R145 L148 | N102-F104 PolarHBondContact O-N 2.82Å; N102-F104 PolarHBondContact OD1-N 3.03Å; F104-P132 HydrophobicContact CB-CB 4.03Å; F104-P132 HydrophobicContact CD1-CB 3.79Å; F104-P132 HydrophobicContact CG-CB 4.41Å; F104-P132 WeakPolarHBondContact O-CB 3.3Å; F104-P132 WeakPolarHBondContact O-CG 3.42Å; F104-I135 HydrophobicContact CE1-CB 4.42Å; F104-I135 HydrophobicContact CE1-CG2 4.16Å; F104-I135 HydrophobicContact CZ-CG2 4.47Å; F104-L136 HydrophobicContact CB-CD1 4.21Å; F104-L136 HydrophobicContact CD1-CD1 4.22Å; F104-L136 HydrophobicContact CD1-CG 4.24Å; F104-L136 HydrophobicContact CD2-CD1 4.26Å; F104-L136 HydrophobicContact CD2-CD2 4.35Å; F104-L136 HydrophobicContact CE1-CD2 4.22Å; F104-L136 HydrophobicContact CE1-CG 4.1Å; F104-L136 HydrophobicContact CE2-CD2 3.88Å; F104-L136 HydrophobicContact CE2-CG 4.44Å; F104-L136 HydrophobicContact CG-CD1 4Å; F104-L136 HydrophobicContact CG-CG 4.42Å; F104-L136 HydrophobicContact CZ-CD2 3.75Å; F104-L136 HydrophobicContact CZ-CG 4.14Å; F104-R145 HydrophobicContact CE2-CG 4.44Å; F104-L148 HydrophobicContact CD2-CB 4.48Å; F104-L148 HydrophobicContact CE1-CD1 4.04Å; F104-L148 HydrophobicContact CE2-CB 3.49Å; F104-L148 VanDerWaalsContact CE2-CB 3.49Å; F104-L148 HydrophobicContact CE2-CD1 3.97Å; F104-L148 HydrophobicContact CE2-CG 4.38Å; F104-L148 HydrophobicContact CZ-CB 3.72Å; F104-L148 HydrophobicContact CZ-CD1 3.27Å; F104-L148 HydrophobicContact CZ-CG 4.13Å |
| 105 | E | 86.3 | Confident | 92.8 | Very high | 127 Ų | 127 | 39.5 Ų | 39.5 | 59% | 0.593 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -29.6 | -167.9 | -62.8 | 180 | 179.8 | 0 | 0 | 112.2 | N102 T110 R145 | N102-E105 PolarHBondContact OD1-N 2.99Å; E105-T110 PolarHBondContact O-OG1 3.36Å; E105-R145 IonicContact OE1-NH2 3.53Å |
| 106 | H | 92.6 | Very high | 93 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 15% | 0.153 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -146.1 | 79 | -172.9 | -160 | 76 | 0 | 0 | 0 | 111.5 | F50 E95 Y96 T100 N102 | F50-H106 AromaticContact CE1-CD2 3.61Å; F50-H106 AromaticContact CZ-CD2 3.97Å; E95-H106 PolarHBondContact O-NE2 2.89Å; E95-H106 VanDerWaalsContact O-NE2 3.1Å; Y96-H106 AromaticContact CD1-CE1 3.92Å; Y96-H106 AromaticContact CD1-NE2 3.36Å; Y96-H106 WeakPolarHBondContact CD1-NE2 3.43Å; Y96-H106 AromaticContact CE1-CE1 3.46Å; Y96-H106 VanDerWaalsContact CE1-CE1 3.46Å; Y96-H106 WeakPolarHBondContact CE1-CE1 3.5Å; Y96-H106 AromaticContact CE1-NE2 3.36Å; Y96-H106 WeakPolarHBondContact CE1-NE2 3.49Å; Y96-H106 AromaticContact CG-NE2 3.96Å; Y96-H106 AromaticContact CZ-CE1 3.65Å; Y96-H106 AromaticContact CZ-NE2 3.97Å; T100-H106 PolarHBondContact O-CD2 3.07Å; N102-H106 CarbonylContact C-O 3.6Å; N102-H106 HydrophobicContact CB-CB 4.28Å; N102-H106 PolarHBondContact N-O 3.05Å; N102-H106 CarbonylContact O-C 3.59Å; N102-H106 PolarHBondContact O-N 3.25Å |
| 107 | N | 93.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -127.3 | -174 | -170.8 | 60.7 | 47.6 | 0 | 0 | 0 | 112 | Y101 N102 M103 N109 T110 F111 | Y101-N107 HydrophobicContact CE2-CB 4.11Å; N102-N107 WeakPolarHBondContact O-CB 3.24Å; N102-N107 PolarHBondContact O-N 3.39Å; M103-N107 PolarHBondContact O-ND2 3.13Å; N107-N109 PolarHBondContact O-N 2.88Å; N107-N109 VanDerWaalsContact O-N 3.15Å; N107-N109 WeakPolarHBondContact OD1-CA 3.08Å; N107-N109 WeakPolarHBondContact OD1-CB 3.44Å; N107-N109 PolarHBondContact OD1-N 3.31Å; N107-T110 PolarHBondContact N-OG1 3.13Å; N107-T110 WeakPolarHBondContact O-CB 3.4Å; N107-T110 PolarHBondContact O-N 2.81Å; N107-T110 VanDerWaalsContact O-N 3.13Å; N107-T110 PolarHBondContact OD1-N 3.36Å; N107-F111 PolarHBondContact O-N 2.59Å |
| 108 | C | 95 | Very high | 93.3 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.1 | -32 | 176.4 | 58.7 | 0 | 0 | 0 | 0 | 114.9 | H38 F50 S112 | H38-C108 WeakPolarHBondContact ND1-CB 3.38Å; H38-C108 PolarHBondContact ND1-SG 3.28Å; F50-C108 WeakPolarHBondContact O-CB 3.47Å; C108-S112 VanDerWaalsContact O-CB 3.31Å; C108-S112 WeakPolarHBondContact O-CB 3.39Å; C108-S112 PolarHBondContact O-N 3.45Å; C108-S112 PolarHBondContact O-OG 3.09Å |
| 109 | N | 96.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -77.4 | -39.3 | -179.4 | -53.9 | -36.1 | 0 | 0 | 0 | 110.7 | W37 T39 N107 S112 N113 I124 I128 | W37-N109 PolarHBondContact O-ND2 3.29Å; W37-N109 PolarHBondContact O-OD1 3.5Å; T39-N109 PolarHBondContact N-OD1 3.07Å; T39-N109 PolarHBondContact OG1-OD1 3.24Å; N107-N109 PolarHBondContact O-N 2.88Å; N107-N109 VanDerWaalsContact O-N 3.15Å; N107-N109 WeakPolarHBondContact OD1-CA 3.08Å; N107-N109 WeakPolarHBondContact OD1-CB 3.44Å; N107-N109 PolarHBondContact OD1-N 3.31Å; N109-S112 PolarHBondContact O-N 3.44Å; N109-N113 WeakPolarHBondContact O-CB 3.47Å; N109-N113 PolarHBondContact O-N 3.2Å; N109-I124 HydrophobicContact CB-CD1 4.28Å; N109-I124 WeakPolarHBondContact O-CD1 3.13Å; N109-I128 HydrophobicContact CB-CG2 3.89Å; N109-I128 VanDerWaalsContact CG-CG2 3.47Å |
| 110 | T | 95.8 | Very high | 94.1 | Very high | 41 Ų | 41 | 31.8 Ų | 31.8 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.4 | -51 | 171.4 | -45.2 | 0 | 0 | 0 | 0 | 110.1 | Y96 E105 N107 S112 N113 D114 | Y96-T110 PolarHBondContact OH-O 3.05Å; E105-T110 PolarHBondContact O-OG1 3.36Å; N107-T110 PolarHBondContact N-OG1 3.13Å; N107-T110 WeakPolarHBondContact O-CB 3.4Å; N107-T110 PolarHBondContact O-N 2.81Å; N107-T110 VanDerWaalsContact O-N 3.13Å; N107-T110 PolarHBondContact OD1-N 3.36Å; T110-S112 PolarHBondContact O-N 2.91Å; T110-N113 WeakPolarHBondContact O-CB 3.34Å; T110-N113 PolarHBondContact O-N 2.8Å; T110-D114 PolarHBondContact O-N 3.07Å |
| 111 | F | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.9 | -51 | 175.2 | 172.3 | -103.7 | 0 | 0 | 0 | 112.5 | F48 F50 I55 L88 L91 Y96 N107 N113 D114 V115 | F48-F111 HydrophobicContact CB-CE1 4.31Å; F48-F111 HydrophobicContact CB-CZ 4.47Å; F50-F111 HydrophobicContact CB-CB 3.46Å; F50-F111 VanDerWaalsContact CB-CB 3.46Å; F50-F111 HydrophobicContact CB-CD1 3.83Å; F50-F111 HydrophobicContact CB-CD2 3.98Å; F50-F111 HydrophobicContact CB-CG 3.47Å; F50-F111 VanDerWaalsContact CB-CG 3.47Å; F50-F111 HydrophobicContact CD1-CB 4.33Å; F50-F111 HydrophobicContact CG-CB 4.2Å; F50-F111 HydrophobicContact CG-CG 4.46Å; I55-F111 HydrophobicContact CD1-CD2 4.33Å; I55-F111 HydrophobicContact CD1-CE2 3.61Å; I55-F111 HydrophobicContact CD1-CZ 4.39Å; I55-F111 HydrophobicContact CG1-CD2 4.27Å; I55-F111 HydrophobicContact CG1-CE2 3.72Å; I55-F111 HydrophobicContact CG1-CZ 4.28Å; I55-F111 HydrophobicContact CG2-CE2 4.19Å; I55-F111 HydrophobicContact CG2-CZ 3.92Å; L88-F111 HydrophobicContact CD2-CE2 4.02Å; L88-F111 HydrophobicContact CD2-CZ 3.85Å; L91-F111 HydrophobicContact CD1-CE2 4.38Å; Y96-F111 HydrophobicContact CD1-CB 3.94Å; Y96-F111 AromaticContact CD1-CD2 3.78Å; Y96-F111 HydrophobicContact CD1-CD2 3.78Å; Y96-F111 HydrophobicContact CD1-CG 4.3Å; Y96-F111 HydrophobicContact CD2-CD2 4.33Å; Y96-F111 VanDerWaalsContact CE1-CA 3.46Å; Y96-F111 HydrophobicContact CE1-CB 3.43Å; Y96-F111 VanDerWaalsContact CE1-CB 3.43Å; Y96-F111 AromaticContact CE1-CD2 3.88Å; Y96-F111 HydrophobicContact CE1-CD2 3.88Å; Y96-F111 HydrophobicContact CE1-CG 4.16Å; Y96-F111 HydrophobicContact CE2-CD2 4.39Å; Y96-F111 HydrophobicContact CG-CD2 4.01Å; Y96-F111 WeakPolarHBondContact OH-CA 3.21Å; Y96-F111 PolarHBondContact OH-N 3.15Å; N107-F111 PolarHBondContact O-N 2.59Å; F111-N113 VanDerWaalsContact C-N 3.26Å; F111-N113 PolarHBondContact O-N 2.88Å; F111-D114 PolarHBondContact O-N 3.06Å; F111-V115 HydrophobicContact CD1-CG2 4.4Å; F111-V115 HydrophobicContact CD2-CG2 3.98Å; F111-V115 HydrophobicContact CE1-CG2 4Å; F111-V115 HydrophobicContact CE2-CG2 3.52Å; F111-V115 HydrophobicContact CG-CG2 4.41Å; F111-V115 HydrophobicContact CZ-CG2 3.55Å; F111-V115 WeakPolarHBondContact O-CB 3.44Å; F111-V115 WeakPolarHBondContact O-CG2 3.32Å; F111-V115 PolarHBondContact O-N 2.85Å |
| 112 | S | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -37.5 | -178.7 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | T39 C108 N109 T110 V116 | T39-S112 PolarHBondContact O-OG 2.9Å; T39-S112 WeakPolarHBondContact OG1-CB 3.06Å; T39-S112 PolarHBondContact OG1-OG 3.18Å; C108-S112 VanDerWaalsContact O-CB 3.31Å; C108-S112 WeakPolarHBondContact O-CB 3.39Å; C108-S112 PolarHBondContact O-N 3.45Å; C108-S112 PolarHBondContact O-OG 3.09Å; N109-S112 PolarHBondContact O-N 3.44Å; T110-S112 PolarHBondContact O-N 2.91Å; S112-V116 VanDerWaalsContact O-CB 3.23Å; S112-V116 WeakPolarHBondContact O-CB 3.36Å; S112-V116 WeakPolarHBondContact O-CG2 3.46Å; S112-V116 PolarHBondContact O-N 3.16Å |
| 113 | N | 97.8 | Very high | 94.8 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -47 | 176.4 | -174.7 | 70.7 | 0 | 0 | 0 | 112.2 | N109 T110 F111 V116 Q117 K123 I124 | N109-N113 WeakPolarHBondContact O-CB 3.47Å; N109-N113 PolarHBondContact O-N 3.2Å; T110-N113 WeakPolarHBondContact O-CB 3.34Å; T110-N113 PolarHBondContact O-N 2.8Å; F111-N113 VanDerWaalsContact C-N 3.26Å; F111-N113 PolarHBondContact O-N 2.88Å; N113-V116 PolarHBondContact O-N 2.66Å; N113-Q117 WeakPolarHBondContact O-CB 3.31Å; N113-Q117 PolarHBondContact O-N 3.22Å; N113-K123 WeakPolarHBondContact OD1-CB 3.19Å; N113-I124 HydrophobicContact CB-CD1 4.01Å; N113-I124 HydrophobicContact CB-CG1 3.91Å; N113-I124 PolarHBondContact OD1-N 3.18Å |
| 114 | D | 97.4 | Very high | 95.3 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66 | -44.7 | -178.5 | -69.2 | -5.3 | 0 | 0 | 0 | 111.7 | Y96 T110 F111 V116 Q117 F118 | Y96-D114 PolarHBondContact OH-OD2 3.4Å; T110-D114 PolarHBondContact O-N 3.07Å; F111-D114 PolarHBondContact O-N 3.06Å; D114-V116 PolarHBondContact O-N 3.23Å; D114-Q117 PolarHBondContact O-N 3.42Å; D114-F118 PolarHBondContact O-N 2.79Å |
| 115 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 175.9 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | V41 F84 Y87 L88 L91 F111 Q117 F118 L119 | V41-V115 HydrophobicContact CB-CG1 4.16Å; V41-V115 HydrophobicContact CG1-CG1 3.95Å; V41-V115 HydrophobicContact CG2-CB 4.32Å; V41-V115 HydrophobicContact CG2-CG1 4.05Å; F84-V115 HydrophobicContact CE2-CG1 3.78Å; F84-V115 HydrophobicContact CZ-CG1 3.76Å; Y87-V115 HydrophobicContact CE1-CG2 4.25Å; L88-V115 HydrophobicContact CD2-CG2 4.25Å; L91-V115 HydrophobicContact CD1-CG2 4.48Å; F111-V115 HydrophobicContact CD1-CG2 4.4Å; F111-V115 HydrophobicContact CD2-CG2 3.98Å; F111-V115 HydrophobicContact CE1-CG2 4Å; F111-V115 HydrophobicContact CE2-CG2 3.52Å; F111-V115 HydrophobicContact CG-CG2 4.41Å; F111-V115 HydrophobicContact CZ-CG2 3.55Å; F111-V115 WeakPolarHBondContact O-CB 3.44Å; F111-V115 WeakPolarHBondContact O-CG2 3.32Å; F111-V115 PolarHBondContact O-N 2.85Å; V115-Q117 VanDerWaalsContact C-N 3.3Å; V115-Q117 PolarHBondContact O-N 2.77Å; V115-F118 PolarHBondContact O-N 3.06Å; V115-L119 HydrophobicContact CG1-CD1 3.77Å; V115-L119 HydrophobicContact CG1-CG 4.3Å; V115-L119 WeakPolarHBondContact O-CB 3.36Å; V115-L119 VanDerWaalsContact O-CG 3.31Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 3.22Å |
| 116 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.2 | -37.6 | 178.8 | 166.7 | 0 | 0 | 0 | 0 | 111.3 | V41 L74 S112 N113 D114 L119 T120 K122 I124 | V41-V116 HydrophobicContact CG1-CG2 4.27Å; V41-V116 HydrophobicContact CG2-CG2 3.81Å; L74-V116 HydrophobicContact CD1-CB 4.1Å; L74-V116 HydrophobicContact CD1-CG1 3.59Å; L74-V116 HydrophobicContact CD1-CG2 3.3Å; L74-V116 HydrophobicContact CD2-CG1 4.16Å; L74-V116 HydrophobicContact CG-CG1 4.33Å; S112-V116 VanDerWaalsContact O-CB 3.23Å; S112-V116 WeakPolarHBondContact O-CB 3.36Å; S112-V116 WeakPolarHBondContact O-CG2 3.46Å; S112-V116 PolarHBondContact O-N 3.16Å; N113-V116 PolarHBondContact O-N 2.66Å; D114-V116 PolarHBondContact O-N 3.23Å; V116-L119 PolarHBondContact O-N 2.87Å; V116-T120 PolarHBondContact O-N 2.97Å; V116-T120 PolarHBondContact O-OG1 3.14Å; V116-K122 HydrophobicContact CG1-CB 4.34Å; V116-I124 HydrophobicContact CB-CG2 4.2Å; V116-I124 HydrophobicContact CG1-CG2 4.41Å; V116-I124 HydrophobicContact CG2-CG2 4.01Å |
| 117 | Q | 97.5 | Very high | 96.1 | Very high | 96 Ų | 96 | 42.6 Ų | 42.6 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 175.3 | -171.7 | 173.3 | 4.9 | 0 | 0 | 111.5 | N113 D114 V115 G121 K122 | N113-Q117 WeakPolarHBondContact O-CB 3.31Å; N113-Q117 PolarHBondContact O-N 3.22Å; D114-Q117 PolarHBondContact O-N 3.42Å; V115-Q117 VanDerWaalsContact C-N 3.3Å; V115-Q117 PolarHBondContact O-N 2.77Å; Q117-G121 WeakPolarHBondContact O-CA 3.42Å; Q117-G121 PolarHBondContact O-N 3.42Å; Q117-K122 WeakPolarHBondContact CA-O 3.41Å; Q117-K122 PolarHBondContact N-O 2.79Å |
| 118 | F | 97.5 | Very high | 96.1 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.7 | -48 | 174 | 174.8 | -105 | 0 | 0 | 0 | 112.3 | V79 F84 Y87 D114 V115 | V79-F118 HydrophobicContact CG1-CE1 3.99Å; V79-F118 HydrophobicContact CG1-CZ 4.46Å; V79-F118 HydrophobicContact CG2-CE1 4.26Å; F84-F118 HydrophobicContact CD2-CD1 4.42Å; F84-F118 HydrophobicContact CD2-CE1 4.28Å; Y87-F118 AromaticContact CD1-CD1 3.52Å; Y87-F118 HydrophobicContact CD1-CD1 3.52Å; Y87-F118 AromaticContact CD1-CE1 3.7Å; Y87-F118 HydrophobicContact CD1-CE1 3.7Å; Y87-F118 HydrophobicContact CD1-CG 4.03Å; Y87-F118 HydrophobicContact CD1-CZ 4.35Å; Y87-F118 HydrophobicContact CD2-CD1 4.29Å; Y87-F118 HydrophobicContact CD2-CD2 4.03Å; Y87-F118 HydrophobicContact CD2-CE1 4.22Å; Y87-F118 AromaticContact CD2-CE2 3.96Å; Y87-F118 HydrophobicContact CD2-CE2 3.96Å; Y87-F118 HydrophobicContact CD2-CG 4.2Å; Y87-F118 HydrophobicContact CD2-CZ 4.05Å; Y87-F118 HydrophobicContact CE1-CB 3.9Å; Y87-F118 AromaticContact CE1-CD1 3.63Å; Y87-F118 HydrophobicContact CE1-CD1 3.63Å; Y87-F118 HydrophobicContact CE1-CD2 4.49Å; Y87-F118 HydrophobicContact CE1-CE1 4.27Å; Y87-F118 AromaticContact CE1-CG 3.75Å; Y87-F118 HydrophobicContact CE1-CG 3.75Å; Y87-F118 HydrophobicContact CE2-CB 4.34Å; Y87-F118 HydrophobicContact CE2-CD1 4.4Å; Y87-F118 AromaticContact CE2-CD2 3.9Å; Y87-F118 HydrophobicContact CE2-CD2 3.9Å; Y87-F118 HydrophobicContact CE2-CE2 4.29Å; Y87-F118 AromaticContact CE2-CG 3.96Å; Y87-F118 HydrophobicContact CE2-CG 3.96Å; Y87-F118 AromaticContact CG-CD1 3.86Å; Y87-F118 HydrophobicContact CG-CD1 3.86Å; Y87-F118 HydrophobicContact CG-CD2 4.39Å; Y87-F118 AromaticContact CG-CE1 3.65Å; Y87-F118 HydrophobicContact CG-CE1 3.65Å; Y87-F118 HydrophobicContact CG-CE2 4.21Å; Y87-F118 HydrophobicContact CG-CG 4.22Å; Y87-F118 AromaticContact CG-CZ 3.84Å; Y87-F118 HydrophobicContact CG-CZ 3.84Å; Y87-F118 AromaticContact CZ-CG 3.71Å; D114-F118 PolarHBondContact O-N 2.79Å; V115-F118 PolarHBondContact O-N 3.06Å |
| 119 | L | 97.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73 | -36.4 | -174.6 | -69.5 | 176.5 | 0 | 0 | 0 | 113.6 | V9 V41 V43 T77 V79 F84 V115 V116 | V9-L119 HydrophobicContact CG1-CD1 4.11Å; V9-L119 HydrophobicContact CG2-CB 4.3Å; V9-L119 HydrophobicContact CG2-CD1 4.28Å; V41-L119 HydrophobicContact CG1-CD1 4.24Å; V43-L119 HydrophobicContact CB-CD1 4.34Å; V43-L119 HydrophobicContact CG1-CD1 4.04Å; V43-L119 HydrophobicContact CG2-CD1 4.42Å; T77-L119 WeakPolarHBondContact CB-O 3.39Å; T77-L119 HydrophobicContact CG2-CD2 4.22Å; T77-L119 PolarHBondContact OG1-O 2.91Å; V79-L119 HydrophobicContact CB-CD2 3.98Å; V79-L119 HydrophobicContact CG1-CD2 4.14Å; V79-L119 HydrophobicContact CG2-CD2 4.29Å; F84-L119 HydrophobicContact CD2-CD2 3.68Å; F84-L119 HydrophobicContact CD2-CG 4.35Å; F84-L119 HydrophobicContact CE2-CD1 4.02Å; F84-L119 HydrophobicContact CE2-CD2 3.96Å; F84-L119 HydrophobicContact CE2-CG 4.13Å; F84-L119 HydrophobicContact CG-CD2 4.24Å; F84-L119 HydrophobicContact CZ-CD1 4.15Å; V115-L119 HydrophobicContact CG1-CD1 3.77Å; V115-L119 HydrophobicContact CG1-CG 4.3Å; V115-L119 WeakPolarHBondContact O-CB 3.36Å; V115-L119 VanDerWaalsContact O-CG 3.31Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 3.22Å; V116-L119 PolarHBondContact O-N 2.87Å |
| 120 | T | 96.9 | Very high | 95.5 | Very high | 30 Ų | 30 | 48 Ų | 48 | 18% | 0.184 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -132.2 | -7.3 | -167 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | V9 V116 K122 | V9-T120 HydrophobicContact CB-CG2 3.89Å; V9-T120 HydrophobicContact CG1-CG2 4.15Å; V9-T120 HydrophobicContact CG2-CG2 3.77Å; V116-T120 PolarHBondContact O-N 2.97Å; V116-T120 PolarHBondContact O-OG1 3.14Å; T120-K122 PolarHBondContact O-N 3.36Å; T120-K122 PolarHBondContact OG1-N 3.25Å |
| 121 | G | 96.6 | Very high | 95.1 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 65% | 0.649 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 70.1 | 3.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q117 | Q117-G121 WeakPolarHBondContact O-CA 3.42Å; Q117-G121 PolarHBondContact O-N 3.42Å |
| 122 | K | 96.1 | Very high | 94.5 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 46% | 0.461 | 25% | 0.252 | S | S | . | . | trans | -95.2 | 176.3 | 179.5 | -61.7 | -178.8 | -174.2 | 169.1 | 0 | 111.4 | L74 V116 Q117 T120 | L74-K122 WeakPolarHBondContact O-CD 3.32Å; L74-K122 WeakPolarHBondContact O-CE 3.43Å; L74-K122 PolarHBondContact O-NZ 3.05Å; V116-K122 HydrophobicContact CG1-CB 4.34Å; Q117-K122 WeakPolarHBondContact CA-O 3.41Å; Q117-K122 PolarHBondContact N-O 2.79Å; T120-K122 PolarHBondContact O-N 3.36Å; T120-K122 PolarHBondContact OG1-N 3.25Å | ||
| 123 | K | 95 | Very high | 93.9 | Very high | 147 Ų | 147 | 51.2 Ų | 51.2 | 64% | 0.639 | 28% | 0.281 | S | S | * | . | trans | -118.3 | 158.2 | 171.2 | -64.7 | -173.3 | 178.2 | -171.8 | 0 | 110 | N113 | N113-K123 WeakPolarHBondContact OD1-CB 3.19Š| ||
| 124 | I | 96.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | trans | -74 | 162.5 | 170.1 | 67.9 | 174.4 | 0 | 0 | 0 | 110.4 | L11 N109 N113 V116 S126 I128 T129 | L11-I124 HydrophobicContact CD1-CG2 3.81Å; L11-I124 HydrophobicContact CD2-CB 3.78Å; L11-I124 HydrophobicContact CD2-CG2 3.67Å; L11-I124 HydrophobicContact CG-CG2 4.36Å; N109-I124 HydrophobicContact CB-CD1 4.28Å; N109-I124 WeakPolarHBondContact O-CD1 3.13Å; N113-I124 HydrophobicContact CB-CD1 4.01Å; N113-I124 HydrophobicContact CB-CG1 3.91Å; N113-I124 PolarHBondContact OD1-N 3.18Å; V116-I124 HydrophobicContact CB-CG2 4.2Å; V116-I124 HydrophobicContact CG1-CG2 4.41Å; V116-I124 HydrophobicContact CG2-CG2 4.01Å; I124-S126 PolarHBondContact O-N 3.33Å; I124-I128 HydrophobicContact CD1-CG2 4.17Å; I124-T129 HydrophobicContact CD1-CG2 3.7Å; I124-T129 HydrophobicContact CG1-CG2 3.72Å | ||
| 125 | P | 95.5 | Very high | 92.8 | Very high | 36 Ų | 36 | 51.4 Ų | 51.4 | 23% | 0.234 | 28% | 0.279 | C | S | . | . | trans | -56.5 | 131.5 | 178.9 | -26.2 | 35.3 | 0 | 0 | 0 | 113 | Y127 I128 | P125-Y127 VanDerWaalsContact C-N 3.29Å; P125-Y127 HydrophobicContact CB-CD1 3.56Å; P125-Y127 HydrophobicContact CB-CE1 3.25Å; P125-Y127 HydrophobicContact CG-CE1 4.07Å; P125-Y127 PolarHBondContact O-N 2.89Å; P125-I128 HydrophobicContact CB-CD1 4.3Å; P125-I128 HydrophobicContact CB-CG1 4.47Å; P125-I128 HydrophobicContact CG-CD1 4.33Å; P125-I128 WeakPolarHBondContact O-CB 3.01Å; P125-I128 PolarHBondContact O-N 3Å | ||
| 126 | S | 92.6 | Very high | 92.2 | Very high | 73 Ų | 73 | 52.7 Ų | 52.7 | 51% | 0.51 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -30.2 | -171.6 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | I124 I128 T129 D130 | I124-S126 PolarHBondContact O-N 3.33Å; S126-I128 PolarHBondContact O-N 3.03Å; S126-T129 WeakPolarHBondContact CA-OG1 3.4Å; S126-T129 PolarHBondContact O-N 2.79Å; S126-T129 PolarHBondContact O-OG1 3.48Å; S126-T129 VanDerWaalsContact O-OG1 3.05Å; S126-D130 VanDerWaalsContact O-CB 3.27Å; S126-D130 WeakPolarHBondContact O-CB 3.23Å; S126-D130 PolarHBondContact O-N 3.36Å |
| 127 | Y | 90.8 | Very high | 91.7 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.4 | -18.3 | 176.3 | 75.5 | -96.2 | 0 | 0 | 0 | 113.3 | W37 P125 | W37-Y127 HydrophobicContact CD2-CE2 4.34Å; W37-Y127 AromaticContact CE2-CE2 3.84Å; W37-Y127 HydrophobicContact CZ2-CD2 4.43Å; W37-Y127 HydrophobicContact CZ2-CE2 4.09Å; W37-Y127 AromaticContact NE1-CD2 3.63Å; W37-Y127 AromaticContact NE1-CE2 3.86Å; P125-Y127 VanDerWaalsContact C-N 3.29Å; P125-Y127 HydrophobicContact CB-CD1 3.56Å; P125-Y127 HydrophobicContact CB-CE1 3.25Å; P125-Y127 HydrophobicContact CG-CE1 4.07Å; P125-Y127 PolarHBondContact O-N 2.89Å |
| 128 | I | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -82.5 | -49 | 173.6 | -58.9 | 178 | 0 | 0 | 0 | 110.3 | L11 I13 W37 T39 N109 I124 P125 S126 D130 | L11-I128 HydrophobicContact CD2-CD1 4.22Å; I13-I128 HydrophobicContact CD1-CD1 3.7Å; I13-I128 HydrophobicContact CG1-CD1 3.93Å; I13-I128 HydrophobicContact CG2-CD1 4.23Å; W37-I128 HydrophobicContact CB-CB 4.5Å; W37-I128 HydrophobicContact CB-CG1 4.4Å; W37-I128 HydrophobicContact CB-CG2 3.89Å; W37-I128 HydrophobicContact CG-CG1 4.28Å; T39-I128 HydrophobicContact CG2-CD1 3.89Å; T39-I128 HydrophobicContact CG2-CG2 3.83Å; N109-I128 HydrophobicContact CB-CG2 3.89Å; N109-I128 VanDerWaalsContact CG-CG2 3.47Å; I124-I128 HydrophobicContact CD1-CG2 4.17Å; P125-I128 HydrophobicContact CB-CD1 4.3Å; P125-I128 HydrophobicContact CB-CG1 4.47Å; P125-I128 HydrophobicContact CG-CD1 4.33Å; P125-I128 WeakPolarHBondContact O-CB 3.01Å; P125-I128 PolarHBondContact O-N 3Å; S126-I128 PolarHBondContact O-N 3.03Å; I128-D130 VanDerWaalsContact C-N 3.33Å; I128-D130 PolarHBondContact O-N 3.04Å |
| 129 | T | 89.6 | Confident | 90.7 | Very high | 53 Ų | 53 | 53.9 Ų | 53.9 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.2 | -26.6 | -178.4 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | I124 S126 P132 | I124-T129 HydrophobicContact CD1-CG2 3.7Å; I124-T129 HydrophobicContact CG1-CG2 3.72Å; S126-T129 WeakPolarHBondContact CA-OG1 3.4Å; S126-T129 PolarHBondContact O-N 2.79Å; S126-T129 PolarHBondContact O-OG1 3.48Å; S126-T129 VanDerWaalsContact O-OG1 3.05Å; T129-P132 WeakPolarHBondContact O-CD 3.47Å |
| 130 | D | 89.4 | Confident | 90.1 | Very high | 77 Ų | 77 | 56.9 Ų | 56.9 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -84.1 | -17.5 | -176.3 | -60.6 | -16.5 | 0 | 0 | 0 | 112.1 | S126 I128 S133 E134 | S126-D130 VanDerWaalsContact O-CB 3.27Å; S126-D130 WeakPolarHBondContact O-CB 3.23Å; S126-D130 PolarHBondContact O-N 3.36Å; I128-D130 VanDerWaalsContact C-N 3.33Å; I128-D130 PolarHBondContact O-N 3.04Å; D130-S133 WeakPolarHBondContact O-CB 3.48Å; D130-S133 PolarHBondContact O-N 2.86Å; D130-E134 WeakPolarHBondContact O-CG 3.49Å; D130-E134 PolarHBondContact O-N 3.05Å |
| 131 | L | 86.3 | Confident | 89.6 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -51.9 | -47 | -176.2 | 174.2 | 68.5 | 0 | 0 | 0 | 114 | L33 W37 S133 E134 I135 | L33-L131 HydrophobicContact CD1-CD1 4.11Å; L33-L131 HydrophobicContact CD2-CD1 3.86Å; L33-L131 HydrophobicContact CG-CD1 4.45Å; W37-L131 HydrophobicContact CB-CD2 4.32Å; W37-L131 HydrophobicContact CG-CD2 4.18Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 3.41Å; L131-E134 WeakPolarHBondContact O-CB 3.49Å; L131-E134 PolarHBondContact O-N 2.83Å; L131-I135 HydrophobicContact CD1-CD1 4.07Å; L131-I135 HydrophobicContact CD1-CG1 4.3Å; L131-I135 HydrophobicContact CG-CD1 4.1Å; L131-I135 WeakPolarHBondContact O-CG1 3.46Å; L131-I135 PolarHBondContact O-N 3.1Å |
| 132 | P | 85.6 | Confident | 89.1 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 8% | 0.084 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -50.9 | -46.8 | 173.1 | -34.2 | 40.7 | 0 | 0 | 0 | 114 | F104 T129 E134 I135 L136 | F104-P132 HydrophobicContact CB-CB 4.03Å; F104-P132 HydrophobicContact CD1-CB 3.79Å; F104-P132 HydrophobicContact CG-CB 4.41Å; F104-P132 WeakPolarHBondContact O-CB 3.3Å; F104-P132 WeakPolarHBondContact O-CG 3.42Å; T129-P132 WeakPolarHBondContact O-CD 3.47Å; P132-E134 VanDerWaalsContact C-N 3.34Å; P132-I135 PolarHBondContact O-N 3.25Å; P132-L136 WeakPolarHBondContact O-CB 3.38Å; P132-L136 WeakPolarHBondContact O-CG 3.35Å; P132-L136 PolarHBondContact O-N 2.67Å |
| 133 | S | 85.8 | Confident | 88.7 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -69.6 | -34.9 | -178.5 | -69.6 | 0 | 0 | 0 | 0 | 111.3 | D130 L131 S137 | D130-S133 WeakPolarHBondContact O-CB 3.48Å; D130-S133 PolarHBondContact O-N 2.86Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 3.41Å; S133-S137 WeakPolarHBondContact O-CB 3.45Å; S133-S137 PolarHBondContact O-N 3.02Å |
| 134 | E | 86 | Confident | 88.1 | Confident | 60 Ų | 60 | 50.9 Ų | 50.9 | 28% | 0.28 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 173.1 | -60.8 | -150 | 159.4 | 0 | 0 | 112.2 | R31 L33 D130 L131 P132 S137 | R31-E134 IonicContact CZ-OE1 3.83Å; R31-E134 IonicContact CZ-OE2 3.46Å; R31-E134 IonicContact NE-OE2 2.7Å; R31-E134 PolarHBondContact NE-OE2 3.36Å; R31-E134 IonicContact NH2-OE1 2.87Å; R31-E134 PolarHBondContact NH2-OE1 3.04Å; R31-E134 IonicContact NH2-OE2 3.22Å; R31-E134 PolarHBondContact NH2-OE2 3.23Å; L33-E134 HydrophobicContact CD2-CB 4.29Å; D130-E134 WeakPolarHBondContact O-CG 3.49Å; D130-E134 PolarHBondContact O-N 3.05Å; L131-E134 WeakPolarHBondContact O-CB 3.49Å; L131-E134 PolarHBondContact O-N 2.83Å; P132-E134 VanDerWaalsContact C-N 3.34Å; E134-S137 PolarHBondContact O-N 3.24Å; E134-S137 PolarHBondContact O-OG 3.49Å |
| 135 | I | 85.2 | Confident | 87.5 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -50.8 | 178.1 | -67.3 | 167.1 | 0 | 0 | 0 | 110 | L29 L33 F104 L131 P132 S137 T138 G141 | L29-I135 HydrophobicContact CD2-CG2 4.29Å; L33-I135 HydrophobicContact CD1-CD1 4.25Å; L33-I135 HydrophobicContact CD1-CG1 3.78Å; F104-I135 HydrophobicContact CE1-CB 4.42Å; F104-I135 HydrophobicContact CE1-CG2 4.16Å; F104-I135 HydrophobicContact CZ-CG2 4.47Å; L131-I135 HydrophobicContact CD1-CD1 4.07Å; L131-I135 HydrophobicContact CD1-CG1 4.3Å; L131-I135 HydrophobicContact CG-CD1 4.1Å; L131-I135 WeakPolarHBondContact O-CG1 3.46Å; L131-I135 PolarHBondContact O-N 3.1Å; P132-I135 PolarHBondContact O-N 3.25Å; I135-S137 PolarHBondContact O-N 3.41Å; I135-T138 PolarHBondContact O-N 3.41Å; I135-T138 PolarHBondContact O-OG1 2.74Å; I135-G141 WeakPolarHBondContact O-CA 3.45Å |
| 136 | L | 86 | Confident | 87 | Confident | 27 Ų | 27 | 57.4 Ų | 57.4 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -19.9 | -178.5 | -69 | 176.4 | 0 | 0 | 0 | 113.1 | F104 P132 T138 Q142 R145 | F104-L136 HydrophobicContact CB-CD1 4.21Å; F104-L136 HydrophobicContact CD1-CD1 4.22Å; F104-L136 HydrophobicContact CD1-CG 4.24Å; F104-L136 HydrophobicContact CD2-CD1 4.26Å; F104-L136 HydrophobicContact CD2-CD2 4.35Å; F104-L136 HydrophobicContact CE1-CD2 4.22Å; F104-L136 HydrophobicContact CE1-CG 4.1Å; F104-L136 HydrophobicContact CE2-CD2 3.88Å; F104-L136 HydrophobicContact CE2-CG 4.44Å; F104-L136 HydrophobicContact CG-CD1 4Å; F104-L136 HydrophobicContact CG-CG 4.42Å; F104-L136 HydrophobicContact CZ-CD2 3.75Å; F104-L136 HydrophobicContact CZ-CG 4.14Å; P132-L136 WeakPolarHBondContact O-CB 3.38Å; P132-L136 WeakPolarHBondContact O-CG 3.35Å; P132-L136 PolarHBondContact O-N 2.67Å; L136-T138 PolarHBondContact O-N 3.26Å; L136-Q142 PolarHBondContact O-NE2 2.73Å; L136-R145 HydrophobicContact CD2-CB 4.1Å; L136-R145 HydrophobicContact CD2-CG 4.08Å |
| 137 | S | 87.6 | Confident | 86.4 | Confident | 75 Ų | 75 | 58.8 Ų | 58.8 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9.5 | 173 | 75.7 | 0 | 0 | 0 | 0 | 114 | R31 S133 E134 I135 | R31-S137 PolarHBondContact NH1-OG 2.97Å; S133-S137 WeakPolarHBondContact O-CB 3.45Å; S133-S137 PolarHBondContact O-N 3.02Å; E134-S137 PolarHBondContact O-N 3.24Å; E134-S137 PolarHBondContact O-OG 3.49Å; I135-S137 PolarHBondContact O-N 3.41Å |
| 138 | T | 86.2 | Confident | 85.8 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -100.2 | 150.2 | -177.7 | 71.8 | 0 | 0 | 0 | 0 | 112.5 | L29 R31 I135 L136 F140 G141 Q142 | L29-T138 HydrophobicContact CB-CG2 4.34Å; L29-T138 HydrophobicContact CD2-CG2 4.25Å; L29-T138 WeakPolarHBondContact CD2-OG1 3.23Å; L29-T138 WeakPolarHBondContact O-CG2 3.44Å; R31-T138 HydrophobicContact CB-CG2 4.44Å; I135-T138 PolarHBondContact O-N 3.41Å; I135-T138 PolarHBondContact O-OG1 2.74Å; L136-T138 PolarHBondContact O-N 3.26Å; T138-F140 PolarHBondContact O-N 3.23Å; T138-G141 PolarHBondContact O-N 3.33Å; T138-G141 PolarHBondContact OG1-N 2.98Å; T138-Q142 PolarHBondContact O-N 3.17Å |
| 139 | P | 86.8 | Confident | 85.1 | Confident | 115 Ų | 115 | 57.8 Ų | 57.8 | 75% | 0.747 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -57.3 | -36.7 | 174.1 | -25.9 | 34.8 | 0 | 0 | 0 | 113.2 | Q142 A143 | P139-Q142 PolarHBondContact O-N 3.35Å; P139-A143 WeakPolarHBondContact O-CB 3.45Å; P139-A143 PolarHBondContact O-N 3.07Å |
| 140 | F | 86.1 | Confident | 84.4 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 32% | 0.32 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.7 | -48.4 | 175.9 | 178.4 | -97.4 | 0 | 0 | 0 | 111.3 | M28 L29 T138 Q142 A143 I144 | M28-F140 HydrophobicContact CE-CE1 4.3Å; M28-F140 HydrophobicContact CE-CE2 4.3Å; M28-F140 HydrophobicContact CE-CZ 3.71Å; M28-F140 WeakPolarHBondContact O-CB 3.32Å; L29-F140 HydrophobicContact CD2-CB 4.33Å; L29-F140 HydrophobicContact CD2-CD1 3.56Å; L29-F140 HydrophobicContact CD2-CE1 4.35Å; L29-F140 HydrophobicContact CD2-CG 4.38Å; L29-F140 HydrophobicContact CG-CD1 4.05Å; T138-F140 PolarHBondContact O-N 3.23Å; F140-Q142 VanDerWaalsContact C-N 3.3Å; F140-Q142 PolarHBondContact O-N 2.66Å; F140-A143 WeakPolarHBondContact O-CB 3.46Å; F140-A143 PolarHBondContact O-N 3.4Å; F140-I144 HydrophobicContact CD1-CD1 4Å; F140-I144 HydrophobicContact CD1-CG1 4.36Å; F140-I144 HydrophobicContact CD2-CG2 4.49Å; F140-I144 HydrophobicContact CE1-CD1 3.43Å; F140-I144 VanDerWaalsContact CE1-CD1 3.43Å; F140-I144 HydrophobicContact CE1-CG1 4.18Å; F140-I144 HydrophobicContact CE1-CG2 4.25Å; F140-I144 HydrophobicContact CE2-CG2 4.03Å; F140-I144 HydrophobicContact CZ-CD1 3.99Å; F140-I144 HydrophobicContact CZ-CG2 3.9Å; F140-I144 WeakPolarHBondContact O-CG1 3.37Å; F140-I144 PolarHBondContact O-N 2.95Å |
| 141 | G | 85.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.3 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I135 T138 I144 R145 | I135-G141 WeakPolarHBondContact O-CA 3.45Å; T138-G141 PolarHBondContact O-N 3.33Å; T138-G141 PolarHBondContact OG1-N 2.98Å; G141-I144 PolarHBondContact O-N 3.41Å; G141-R145 PolarHBondContact O-N 2.97Å |
| 142 | Q | 87.2 | Confident | 83.5 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 174 | -69 | -63.2 | -27.9 | 0 | 0 | 112.5 | L136 T138 P139 F140 | L136-Q142 PolarHBondContact O-NE2 2.73Å; T138-Q142 PolarHBondContact O-N 3.17Å; P139-Q142 PolarHBondContact O-N 3.35Å; F140-Q142 VanDerWaalsContact C-N 3.3Å; F140-Q142 PolarHBondContact O-N 2.66Å |
| 143 | A | 87.8 | Confident | 83.3 | Confident | 77 Ų | 77 | 63 Ų | 63 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.7 | -34.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | P139 F140 | P139-A143 WeakPolarHBondContact O-CB 3.45Å; P139-A143 PolarHBondContact O-N 3.07Å; F140-A143 WeakPolarHBondContact O-CB 3.46Å; F140-A143 PolarHBondContact O-N 3.4Å |
| 144 | I | 82.9 | Confident | 83.1 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -96.4 | -2.7 | -179.1 | 68.3 | 165.3 | 0 | 0 | 0 | 114 | F140 G141 P146 L147 L148 | F140-I144 HydrophobicContact CD1-CD1 4Å; F140-I144 HydrophobicContact CD1-CG1 4.36Å; F140-I144 HydrophobicContact CD2-CG2 4.49Å; F140-I144 HydrophobicContact CE1-CD1 3.43Å; F140-I144 VanDerWaalsContact CE1-CD1 3.43Å; F140-I144 HydrophobicContact CE1-CG1 4.18Å; F140-I144 HydrophobicContact CE1-CG2 4.25Å; F140-I144 HydrophobicContact CE2-CG2 4.03Å; F140-I144 HydrophobicContact CZ-CD1 3.99Å; F140-I144 HydrophobicContact CZ-CG2 3.9Å; F140-I144 WeakPolarHBondContact O-CG1 3.37Å; F140-I144 PolarHBondContact O-N 2.95Å; G141-I144 PolarHBondContact O-N 3.41Å; I144-P146 VanDerWaalsContact C-CD 3.49Å; I144-L147 WeakPolarHBondContact O-CB 3.49Å; I144-L147 PolarHBondContact O-N 3Å; I144-L148 HydrophobicContact CD1-CD1 3.39Å; I144-L148 HydrophobicContact CD1-CD2 4.48Å; I144-L148 HydrophobicContact CD1-CG 3.98Å; I144-L148 HydrophobicContact CG1-CD1 3.76Å; I144-L148 HydrophobicContact CG1-CG 4.2Å; I144-L148 PolarHBondContact O-N 3.03Å |
| 145 | R | 83.7 | Confident | 82.4 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 33% | 0.328 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -49.1 | -48.7 | -179.5 | 178.7 | 178 | -174.7 | 178.5 | 8 | 113.1 | F104 E105 L136 G141 L147 L148 D149 | F104-R145 HydrophobicContact CE2-CG 4.44Å; E105-R145 IonicContact OE1-NH2 3.53Å; L136-R145 HydrophobicContact CD2-CB 4.1Å; L136-R145 HydrophobicContact CD2-CG 4.08Å; G141-R145 PolarHBondContact O-N 2.97Å; R145-L147 VanDerWaalsContact C-N 3.25Å; R145-L147 PolarHBondContact O-N 2.98Å; R145-L148 PolarHBondContact O-N 3.02Å; R145-L148 VanDerWaalsContact O-N 3.14Å; R145-D149 WeakPolarHBondContact CG-OD2 3.43Å; R145-D149 IonicContact NE-OD2 3.81Å; R145-D149 PolarHBondContact O-N 3.04Å |
| 146 | P | 83.9 | Confident | 81.7 | Confident | 94 Ų | 94 | 60.4 Ų | 60.4 | 61% | 0.61 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.8 | -30.9 | -179.4 | -22.3 | 34.4 | 0 | 0 | 0 | 113.8 | I144 | I144-P146 VanDerWaalsContact C-CD 3.49Å |
| 147 | L | 80.3 | Confident | 80.9 | Confident | 103 Ų | 103 | 61 Ų | 61 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.1 | -44.3 | 176 | 176.9 | 63.2 | 0 | 0 | 0 | 110.5 | I144 R145 S150 M151 | I144-L147 WeakPolarHBondContact O-CB 3.49Å; I144-L147 PolarHBondContact O-N 3Å; R145-L147 VanDerWaalsContact C-N 3.25Å; R145-L147 PolarHBondContact O-N 2.98Å; L147-S150 PolarHBondContact O-N 3.4Å; L147-S150 PolarHBondContact O-OG 2.88Å; L147-M151 HydrophobicContact CD1-CE 4.46Å; L147-M151 HydrophobicContact CG-CE 4.37Å |
| 148 | L | 77.9 | Confident | 80 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 13% | 0.131 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.1 | -32.2 | -178.7 | -65.6 | -176.5 | 0 | 0 | 0 | 112.8 | M103 F104 I144 R145 S150 M151 | M103-L148 HydrophobicContact SD-CB 4.08Å; M103-L148 HydrophobicContact SD-CD2 3.83Å; M103-L148 HydrophobicContact SD-CG 4.36Å; F104-L148 HydrophobicContact CD2-CB 4.48Å; F104-L148 HydrophobicContact CE1-CD1 4.04Å; F104-L148 HydrophobicContact CE2-CB 3.49Å; F104-L148 VanDerWaalsContact CE2-CB 3.49Å; F104-L148 HydrophobicContact CE2-CD1 3.97Å; F104-L148 HydrophobicContact CE2-CG 4.38Å; F104-L148 HydrophobicContact CZ-CB 3.72Å; F104-L148 HydrophobicContact CZ-CD1 3.27Å; F104-L148 HydrophobicContact CZ-CG 4.13Å; I144-L148 HydrophobicContact CD1-CD1 3.39Å; I144-L148 HydrophobicContact CD1-CD2 4.48Å; I144-L148 HydrophobicContact CD1-CG 3.98Å; I144-L148 HydrophobicContact CG1-CD1 3.76Å; I144-L148 HydrophobicContact CG1-CG 4.2Å; I144-L148 PolarHBondContact O-N 3.03Å; R145-L148 PolarHBondContact O-N 3.02Å; R145-L148 VanDerWaalsContact O-N 3.14Å; L148-S150 PolarHBondContact O-N 3.14Å; L148-M151 HydrophobicContact CD2-SD 3.75Å; L148-M151 PolarHBondContact O-N 3.23Å |
| 149 | D | 77.9 | Confident | 79.3 | Confident | 62 Ų | 62 | 66 Ų | 66 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.6 | -25.5 | 172.7 | -74.3 | -26.3 | 0 | 0 | 0 | 112.3 | N102 R145 | N102-D149 PolarHBondContact ND2-OD1 3.23Å; R145-D149 WeakPolarHBondContact CG-OD2 3.43Å; R145-D149 IonicContact NE-OD2 3.81Å; R145-D149 PolarHBondContact O-N 3.04Å |
| 150 | S | 74.9 | Confident | 77.9 | Confident | 93 Ų | 93 | 64.5 Ų | 64.5 | 65% | 0.65 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.2 | 176.6 | 75.6 | 0 | 0 | 0 | 0 | 114.2 | L147 L148 | L147-S150 PolarHBondContact O-N 3.4Å; L147-S150 PolarHBondContact O-OG 2.88Å; L148-S150 PolarHBondContact O-N 3.14Å |
| 151 | M | 78.1 | Confident | 76.3 | Confident | 85 Ų | 85 | 63.6 Ų | 63.6 | 42% | 0.419 | 39% | 0.391 | S | S | . | . | trans | -96.9 | 130.9 | -176.8 | -71.9 | -173.4 | 163.6 | 0 | 0 | 111.7 | M103 L147 L148 | M103-M151 HydrophobicContact CE-CB 3.44Å; M103-M151 VanDerWaalsContact CE-CB 3.44Å; M103-M151 HydrophobicContact CE-CG 4.39Å; M103-M151 HydrophobicContact CE-SD 4.12Å; L147-M151 HydrophobicContact CD1-CE 4.46Å; L147-M151 HydrophobicContact CG-CE 4.37Å; L148-M151 HydrophobicContact CD2-SD 3.75Å; L148-M151 PolarHBondContact O-N 3.23Å | ||
| 152 | A | 79.3 | Confident | 74 | Confident | 56 Ų | 56 | 72.2 Ų | 72.2 | 46% | 0.463 | 43% | 0.431 | S | S | . | . | trans | -112.3 | 135.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y101 | Y101-A152 HydrophobicContact CD1-CB 3.82Å; Y101-A152 HydrophobicContact CE1-CB 4.31Å; Y101-A152 HydrophobicContact CG-CB 4.44Å | ||
| 153 | V | 79.9 | Confident | 71.5 | Confident | 28 Ų | 28 | 82.5 Ų | 82.5 | 17% | 0.17 | 47% | 0.466 | C | S | . | . | trans | -89.1 | 126.6 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | L16 G51 G52 Y101 M103 P155 | L16-V153 HydrophobicContact CD1-CG1 4.06Å; L16-V153 HydrophobicContact CD1-CG2 4.35Å; G51-V153 CarbonylContact C-O 3.48Å; G51-V153 WeakPolarHBondContact CA-O 3.43Å; G52-V153 PolarHBondContact N-O 2.68Å; G52-V153 VanDerWaalsContact N-O 3.15Å; Y101-V153 VanDerWaalsContact OH-CB 3.32Å; Y101-V153 WeakPolarHBondContact OH-CB 3.44Å; Y101-V153 VanDerWaalsContact OH-CG2 3.31Å; Y101-V153 WeakPolarHBondContact OH-CG2 3.36Å; M103-V153 HydrophobicContact CE-CG2 4.11Å; V153-P155 HydrophobicContact CG1-CG 4.43Å | ||
| 154 | N | 81.5 | Confident | 70.7 | Confident | 83 Ų | 83 | 82.8 Ų | 82.8 | 44% | 0.444 | 46% | 0.457 | S | S | . | . | trans | -135.5 | 97.8 | 171.7 | -74.8 | -62.1 | 0 | 0 | 0 | 108 | G52 A53 G156 | G52-N154 PolarHBondContact N-OD1 2.79Å; A53-N154 PolarHBondContact N-OD1 3.24Å; N154-G156 PolarHBondContact O-N 2.74Å | ||
| 155 | P | 72.8 | Confident | 70.1 | Confident | 6 Ų | 6 | 84.9 Ų | 84.9 | 4% | 0.039 | 47% | 0.47 | C | S | . | . | trans | -64.4 | 105.7 | 171 | -11.9 | 26.4 | 0 | 0 | 0 | 107.8 | H38 F49 T63 L65 V153 I159 | H38-P155 WeakPolarHBondContact NE2-CG 3.47Å; F49-P155 HydrophobicContact CD2-CG 4.21Å; F49-P155 HydrophobicContact CE2-CG 4.13Å; T63-P155 HydrophobicContact CG2-CB 4.08Å; L65-P155 HydrophobicContact CD1-CB 3.97Å; L65-P155 HydrophobicContact CD1-CG 4.23Å; L65-P155 HydrophobicContact CG-CB 4.22Å; V153-P155 HydrophobicContact CG1-CG 4.43Å; P155-I159 WeakPolarHBondContact O-CD1 3.47Å | ||
| 156 | G | 69.8 | Low | 69.3 | Low | 28 Ų | 28 | 84.8 Ų | 84.8 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | trans | -63.2 | 170.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T63 I64 N154 | T63-G156 CarbonylContact C-O 3.52Å; T63-G156 VanDerWaalsContact CA-O 3.29Å; T63-G156 WeakPolarHBondContact CA-O 3.49Å; T63-G156 WeakPolarHBondContact CB-O 3.42Å; I64-G156 WeakPolarHBondContact CG2-O 3.45Å; I64-G156 PolarHBondContact N-O 3.48Å; N154-G156 PolarHBondContact O-N 2.74Å | ||
| 157 | G | 68.5 | Low | 68.5 | Low | 40 Ų | 40 | 84.3 Ų | 84.3 | 41% | 0.412 | 47% | 0.47 | S | S | . | . | B | Isolated β-bridge | trans | 146.9 | -160.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I159 | G157-I159 PolarHBondContact O-N 3.28Å |
| 158 | N | 70.3 | Confident | 67.7 | Low | 141 Ų | 141 | 83.1 Ų | 83.1 | 75% | 0.754 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -76.4 | 65.1 | 173.9 | -78.9 | -12.2 | 0 | 0 | 0 | 110.3 | C58 G62 | C58-N158 WeakPolarHBondContact CB-O 3.39Å; G62-N158 PolarHBondContact O-N 3Å; G62-N158 VanDerWaalsContact O-N 3.15Å |
| 159 | I | 69.8 | Low | 67.1 | Low | 49 Ų | 49 | 87 Ų | 87 | 25% | 0.251 | 49% | 0.488 | S | S | . | . | trans | -77.1 | 123.6 | -179.9 | -58.4 | 164.8 | 0 | 0 | 0 | 108.6 | F49 N56 P155 G157 | F49-I159 HydrophobicContact CZ-CG1 4.28Å; N56-I159 HydrophobicContact CB-CG2 3.83Å; N56-I159 VanDerWaalsContact OD1-CG2 3.25Å; N56-I159 WeakPolarHBondContact OD1-CG2 3.48Å; P155-I159 WeakPolarHBondContact O-CD1 3.47Å; G157-I159 PolarHBondContact O-N 3.28Å | ||
| 160 | T | 59.1 | Low | 66.3 | Low | 82 Ų | 82 | 88.8 Ų | 88.8 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | B | Isolated β-bridge | trans | -102.1 | 110.7 | 172.8 | 41.3 | 0 | 0 | 0 | 0 | 108.3 | N57 | N57-T160 VanDerWaalsContact CG-O 3.24Å; N57-T160 PolarHBondContact ND2-O 3.25Å; N57-T160 PolarHBondContact O-N 2.85Å; N57-T160 PolarHBondContact O-OG1 3.5Å; N57-T160 PolarHBondContact OD1-O 3.12Å; N57-T160 PolarHBondContact OD1-OG1 3.03Å |
| 161 | G | 50.6 | Low | 65.6 | Low | 54 Ų | 54 | 88.5 Ų | 88.5 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | trans | 152.6 | -2.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | R163 | G161-R163 VanDerWaalsContact C-N 3.33Å; G161-R163 PolarHBondContact O-N 3.04Å | ||
| 162 | Q | 38.6 | Very low | 64.6 | Low | 181 Ų | 181 | 88.8 Ų | 88.8 | 85% | 0.846 | 49% | 0.494 | S | S | * | . | trans | -68 | 93.7 | 167.1 | -69.8 | -171.3 | -15.3 | 0 | 0 | 109.1 | ||||
| 163 | R | 34.9 | Very low | 63.2 | Low | 317 Ų | 317 | 91.7 Ų | 91.7 | 100% | 1.196 | 50% | 0.496 | S | S | * | . | trans | -108 | 0 | 157.2 | -83.9 | -170.6 | 168.9 | -174.3 | -0.8 | 108.8 | G161 | G161-R163 VanDerWaalsContact C-N 3.33Å; G161-R163 PolarHBondContact O-N 3.04Å |
Retrieved 163 of 163 residues in 273.3 ms
(Link to these results)