| 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 | 26.6 | Very low | 32.6 | Very low | 207 Ų | 207 | 125.9 Ų | 125.9 | 100% | 1.02 | 64% | 0.642 | S | S | * | * | 0 | 105.7 | 0 | -76.3 | 176 | -177.4 | 0 | 0 | 105.5 | F3 | M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 HydrophobicContact CB-CD2 4.06Å; M1-F3 HydrophobicContact CB-CE2 3.71Å; M1-F3 PolarHBondContact O-N 3.41Å; M1-F3 HydrophobicContact SD-CE2 4.17Å | |||
| 2 | N | 26 | Very low | 32.9 | Very low | 150 Ų | 150 | 117.5 Ų | 117.5 | 80% | 0.802 | 60% | 0.598 | S | S | * | * | trans | -79.5 | 85.6 | -177.9 | -72.4 | 1 | 0 | 0 | 0 | 108.1 | G4 P194 | N2-G4 PolarHBondContact O-N 3.21Å; N2-P194 HydrophobicContact CB-CG 4.39Å | ||
| 3 | F | 27.8 | Very low | 33.6 | Very low | 169 Ų | 169 | 111.3 Ų | 111.3 | 74% | 0.741 | 57% | 0.567 | S | S | * | * | trans | -72 | 120.1 | 163.7 | -70.8 | -82.6 | 0 | 0 | 0 | 106.3 | M1 | M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 HydrophobicContact CB-CD2 4.06Å; M1-F3 HydrophobicContact CB-CE2 3.71Å; M1-F3 PolarHBondContact O-N 3.41Å; M1-F3 HydrophobicContact SD-CE2 4.17Å | ||
| 4 | G | 32.9 | Very low | 34.7 | Very low | 47 Ų | 47 | 104.1 Ų | 104.1 | 49% | 0.485 | 53% | 0.534 | S | S | . | . | trans | -54.2 | 141.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | N2 N6 | N2-G4 PolarHBondContact O-N 3.21Å; G4-N6 PolarHBondContact O-N 3.15Å | ||
| 5 | W | 34.9 | Very low | 35.5 | Very low | 95 Ų | 95 | 97.1 Ų | 97.1 | 36% | 0.36 | 50% | 0.498 | S | S | . | . | trans | -60.7 | 99.7 | 177.1 | -54.3 | 100.4 | 0 | 0 | 0 | 109 | E237 I239 | W5-E237 VanDerWaalsContact CZ2-OE1 3.31Å; W5-E237 WeakPolarHBondContact CZ2-OE1 3.4Å; W5-I239 HydrophobicContact CD2-CG1 4.46Å; W5-I239 HydrophobicContact CE3-CD1 3.75Å; W5-I239 HydrophobicContact CE3-CG1 3.99Å; W5-I239 HydrophobicContact CE3-CG2 4.35Å; W5-I239 HydrophobicContact CH2-CD1 3.63Å; W5-I239 HydrophobicContact CH2-CG1 3.71Å; W5-I239 HydrophobicContact CZ2-CG1 4.19Å; W5-I239 HydrophobicContact CZ3-CD1 3.15Å; W5-I239 HydrophobicContact CZ3-CG1 3.61Å | ||
| 6 | N | 32.3 | Very low | 36.5 | Very low | 154 Ų | 154 | 92.2 Ų | 92.2 | 82% | 0.824 | 47% | 0.474 | S | S | * | . | trans | -109.3 | 78.7 | 170.7 | -159.1 | 14.4 | 0 | 0 | 0 | 106.5 | G4 S8 | G4-N6 PolarHBondContact O-N 3.15Å; N6-S8 PolarHBondContact O-N 3.24Å | ||
| 7 | I | 37.7 | Very low | 37.2 | Very low | 46 Ų | 46 | 86.8 Ų | 86.8 | 24% | 0.236 | 45% | 0.446 | C | S | . | . | trans | -75.7 | 109.8 | 168.9 | -55.6 | 177.2 | 0 | 0 | 0 | 105.4 | D9 Y10 I239 D241 | I7-D9 PolarHBondContact O-N 3.33Å; I7-D9 VanDerWaalsContact O-N 3.11Å; I7-Y10 HydrophobicContact CG2-CD2 4.23Å; I7-Y10 PolarHBondContact O-N 3Å; I7-I239 HydrophobicContact CD1-CG2 3.77Å; I7-D241 HydrophobicContact CD1-CB 3.82Å | ||
| 8 | S | 32.1 | Very low | 38 | Very low | 90 Ų | 90 | 83.9 Ų | 83.9 | 63% | 0.629 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 117.6 | 168.4 | 49.9 | 0 | 0 | 0 | 0 | 107.5 | N6 | N6-S8 PolarHBondContact O-N 3.24Š|
| 9 | D | 38.5 | Very low | 38.5 | Very low | 154 Ų | 154 | 85.5 Ų | 85.5 | 82% | 0.824 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.7 | -6.1 | 176.6 | -51 | -35.4 | 0 | 0 | 0 | 118.7 | I7 | I7-D9 PolarHBondContact O-N 3.33Å; I7-D9 VanDerWaalsContact O-N 3.11Å |
| 10 | Y | 32.1 | Very low | 39.1 | Very low | 114 Ų | 114 | 83.8 Ų | 83.8 | 45% | 0.447 | 43% | 0.427 | S | S | . | . | trans | -134 | 135 | 173.2 | -66.6 | -89.6 | 0 | 0 | 0 | 112 | I7 | I7-Y10 HydrophobicContact CG2-CD2 4.23Å; I7-Y10 PolarHBondContact O-N 3Å | ||
| 11 | K | 37.8 | Very low | 39.9 | Very low | 159 Ų | 159 | 83 Ų | 83 | 69% | 0.691 | 43% | 0.428 | S | S | * | . | trans | -126 | 121 | -177.8 | -68.2 | -176 | -179.8 | 178.4 | 0 | 111.8 | V190 | K11-V190 HydrophobicContact CB-CG2 4.22Å; K11-V190 HydrophobicContact CD-CG2 4.4Å; K11-V190 HydrophobicContact CG-CG2 4.28Å | ||
| 12 | H | 36.3 | Very low | 41.3 | Very low | 25 Ų | 25 | 75.6 Ų | 75.6 | 12% | 0.116 | 40% | 0.395 | C | S | . | . | trans | -86.7 | 171.9 | -168.1 | -56.3 | -73.8 | 0 | 0 | 0 | 116.3 | L189 P240 | H12-L189 CarbonylContact O-C 3.49Å; H12-P240 PolarHBondContact CE1-O 3.12Å; H12-P240 PolarHBondContact ND1-O 3.41Å | ||
| 13 | L | 42.1 | Very low | 42.9 | Very low | 37 Ų | 37 | 69.3 Ų | 69.3 | 19% | 0.194 | 36% | 0.361 | C | S | . | . | trans | -82.8 | 159.8 | -169.3 | -55.2 | 159.4 | 0 | 0 | 0 | 115.6 | F60 V61 S164 I166 | L13-F60 HydrophobicContact CB-CE2 3.84Å; L13-F60 HydrophobicContact CB-CZ 4.43Å; L13-V61 WeakPolarHBondContact CD2-O 3.41Å; L13-S164 WeakPolarHBondContact CD1-O 3.46Å; L13-I166 HydrophobicContact CD2-CD1 3.52Å; L13-I166 HydrophobicContact CD2-CG1 4.09Å | ||
| 14 | G | 48.6 | Very low | 44.7 | Very low | 10 Ų | 10 | 61.4 Ų | 61.4 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | trans | 175.7 | 165.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | F60 | G14-F60 WeakPolarHBondContact O-CD2 3.4Š| ||
| 15 | L | 47.3 | Very low | 46.4 | Very low | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 137.5 | 171.6 | -84.9 | 178.4 | 0 | 0 | 0 | 110.5 | I24 Y48 A58 S59 F60 I122 I133 | L15-I24 HydrophobicContact CB-CB 3.95Å; L15-I24 HydrophobicContact CB-CD1 4.17Å; L15-I24 PolarHBondContact O-N 3.39Å; L15-Y48 HydrophobicContact CB-CD1 3.87Å; L15-Y48 HydrophobicContact CB-CE1 3.59Å; L15-Y48 HydrophobicContact CD1-CD1 3.39Å; L15-Y48 HydrophobicContact CD1-CD2 3.4Å; L15-Y48 HydrophobicContact CD1-CE1 3.53Å; L15-Y48 HydrophobicContact CD1-CE2 3.54Å; L15-Y48 HydrophobicContact CD1-CG 3.31Å; L15-Y48 HydrophobicContact CG-CD1 3.79Å; L15-Y48 HydrophobicContact CG-CD2 4.23Å; L15-Y48 HydrophobicContact CG-CE1 3.4Å; L15-Y48 HydrophobicContact CG-CE2 3.89Å; L15-Y48 HydrophobicContact CG-CG 4.17Å; L15-Y48 VanDerWaalsContact CG-CZ 3.46Å; L15-A58 HydrophobicContact CB-CB 4.26Å; L15-A58 HydrophobicContact CD1-CB 4.27Å; L15-A58 HydrophobicContact CD2-CB 3.72Å; L15-A58 HydrophobicContact CG-CB 4.31Å; L15-S59 WeakPolarHBondContact CA-O 3.46Å; L15-F60 HydrophobicContact CD2-CB 3.48Å; L15-F60 VanDerWaalsContact CD2-CB 3.48Å; L15-F60 HydrophobicContact CG-CB 4.12Å; L15-I122 HydrophobicContact CD1-CD1 4.08Å; L15-I122 HydrophobicContact CD2-CD1 4.44Å; L15-I133 HydrophobicContact CD1-CD1 4.41Å |
| 16 | V | 51.3 | Low | 48.2 | Very low | 18 Ų | 18 | 55 Ų | 55 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.3 | -177.4 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | Q18 A58 S59 L189 | V16-Q18 PolarHBondContact O-N 3.15Å; V16-A58 VanDerWaalsContact O-CA 3.23Å; V16-A58 WeakPolarHBondContact O-CA 3.05Å; V16-S59 PolarHBondContact N-O 3.15Å; V16-S59 PolarHBondContact O-N 3.33Å; V16-L189 HydrophobicContact CG2-CB 4.05Å; V16-L189 HydrophobicContact CG2-CD2 4.28Å |
| 17 | C | 47.4 | Very low | 50.6 | Low | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 125.8 | 170.3 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | R19 S20 C21 T22 L52 L56 E57 | C17-R19 PolarHBondContact O-N 3.04Å; C17-S20 WeakPolarHBondContact CB-OG 3.37Å; C17-S20 PolarHBondContact SG-OG 3.13Å; C17-S20 VanDerWaalsContact SG-OG 3.36Å; C17-C21 WeakPolarHBondContact O-CA 3.31Å; C17-C21 PolarHBondContact O-N 3.2Å; C17-C21 VanDerWaalsContact O-N 3.12Å; C17-T22 VanDerWaalsContact CB-O 3.29Å; C17-T22 WeakPolarHBondContact CB-O 3.48Å; C17-T22 PolarHBondContact N-O 3.3Å; C17-L52 HydrophobicContact CB-CD1 4.39Å; C17-L56 HydrophobicContact CB-CB 4.44Å; C17-L56 HydrophobicContact CB-CD2 4.21Å; C17-E57 WeakPolarHBondContact CA-O 3.48Å |
| 18 | Q | 52.3 | Low | 53 | Low | 35 Ų | 35 | 50.4 Ų | 50.4 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.7 | -179.7 | -89.1 | -166.2 | 13.8 | 0 | 0 | 114.5 | V16 E57 V636 V638 | V16-Q18 PolarHBondContact O-N 3.15Å; Q18-E57 HydrophobicContact CB-CB 4.13Å; Q18-E57 WeakPolarHBondContact CB-O 3.36Å; Q18-E57 HydrophobicContact CG-CB 4.16Å; Q18-E57 HydrophobicContact CG-CG 4.11Å; Q18-E57 PolarHBondContact N-O 2.98Å; Q18-E57 VanDerWaalsContact NE2-CG 3.3Å; Q18-E57 PolarHBondContact NE2-OE1 3.48Å; Q18-E57 PolarHBondContact OE1-OE1 3.21Å; Q18-E57 PolarHBondContact OE1-OE2 3.08Å; Q18-E57 VanDerWaalsContact OE1-OE2 3.06Å; Q18-V636 CarbonylContact C-O 3.58Å; Q18-V636 VanDerWaalsContact CB-O 3.26Å; Q18-V636 WeakPolarHBondContact CB-O 3.4Å; Q18-V636 CarbonylContact O-C 3.53Å; Q18-V636 VanDerWaalsContact O-CB 3.29Å; Q18-V636 WeakPolarHBondContact O-CB 3.38Å; Q18-V636 WeakPolarHBondContact O-CG1 3.44Å; Q18-V638 VanDerWaalsContact CA-CG2 3.41Å; Q18-V638 HydrophobicContact CB-CG2 4.45Å; Q18-V638 WeakPolarHBondContact O-CG2 3.28Å |
| 19 | R | 47.5 | Very low | 55.7 | Low | 113 Ų | 113 | 46.6 Ų | 46.6 | 43% | 0.426 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -44.6 | -177.3 | -162.8 | 177.9 | -175.3 | -161.6 | 3 | 114.5 | C17 E54 V636 | C17-R19 PolarHBondContact O-N 3.04Å; R19-E54 IonicContact NH1-OE2 3.89Å; R19-E54 PolarHBondContact NH1-OE2 3.45Å; R19-V636 HydrophobicContact CG-CG2 4.06Å |
| 20 | S | 49.8 | Very low | 58.4 | Low | 51 Ų | 51 | 41.8 Ų | 41.8 | 36% | 0.357 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | -5.6 | -165.2 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | C17 T22 | C17-S20 WeakPolarHBondContact CB-OG 3.37Å; C17-S20 PolarHBondContact SG-OG 3.13Å; C17-S20 VanDerWaalsContact SG-OG 3.36Å; S20-T22 PolarHBondContact O-N 2.89Å; S20-T22 WeakPolarHBondContact OG-CB 3.41Å; S20-T22 WeakPolarHBondContact OG-CG2 3.22Å; S20-T22 PolarHBondContact OG-N 3.47Å; S20-T22 VanDerWaalsContact OG-N 3.15Å; S20-T22 PolarHBondContact OG-OG1 3.27Å |
| 21 | C | 56.2 | Low | 61.5 | Low | 67 Ų | 67 | 37.2 Ų | 37.2 | 45% | 0.453 | 19% | 0.192 | S | C | . | . | trans | 51.4 | 22 | -163.6 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | C17 V638 | C17-C21 WeakPolarHBondContact O-CA 3.31Å; C17-C21 PolarHBondContact O-N 3.2Å; C17-C21 VanDerWaalsContact O-N 3.12Å; C21-V638 VanDerWaalsContact SG-CG1 3.56Å | ||
| 22 | T | 55.3 | Low | 64.3 | Low | 53 Ų | 53 | 33.9 Ų | 33.9 | 33% | 0.325 | 18% | 0.178 | S | C | . | . | trans | -81.6 | 136 | 177.9 | 58 | 0 | 0 | 0 | 0 | 109.7 | C17 S20 | C17-T22 VanDerWaalsContact CB-O 3.29Å; C17-T22 WeakPolarHBondContact CB-O 3.48Å; C17-T22 PolarHBondContact N-O 3.3Å; S20-T22 PolarHBondContact O-N 2.89Å; S20-T22 WeakPolarHBondContact OG-CB 3.41Å; S20-T22 WeakPolarHBondContact OG-CG2 3.22Å; S20-T22 PolarHBondContact OG-N 3.47Å; S20-T22 VanDerWaalsContact OG-N 3.15Å; S20-T22 PolarHBondContact OG-OG1 3.27Å | ||
| 23 | N | 61.7 | Low | 67.1 | Low | 17 Ų | 17 | 32.8 Ų | 32.8 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 137.2 | 177 | -159.3 | -56.2 | 0 | 0 | 0 | 111.3 | P25 L189 V190 N191 | N23-P25 WeakPolarHBondContact O-CD 3.14Å; N23-L189 HydrophobicContact CB-CD2 4.06Å; N23-V190 PolarHBondContact ND2-O 3.37Å; N23-N191 VanDerWaalsContact ND2-CA 3.27Å; N23-N191 WeakPolarHBondContact ND2-CA 3.25Å |
| 24 | I | 64.8 | Low | 69.6 | Low | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 108.3 | 162.4 | -57.6 | 171.7 | 0 | 0 | 0 | 106.3 | L15 L26 Y48 E49 L56 A58 I125 | L15-I24 HydrophobicContact CB-CB 3.95Å; L15-I24 HydrophobicContact CB-CD1 4.17Å; L15-I24 PolarHBondContact O-N 3.39Å; I24-L26 PolarHBondContact O-N 3.32Å; I24-Y48 HydrophobicContact CG2-CD1 4.38Å; I24-E49 VanDerWaalsContact CG2-O 3.31Å; I24-E49 WeakPolarHBondContact CG2-O 3.48Å; I24-L56 HydrophobicContact CD1-CD1 3.22Å; I24-L56 HydrophobicContact CD1-CD2 3.56Å; I24-L56 HydrophobicContact CD1-CG 4.06Å; I24-L56 HydrophobicContact CG1-CD1 4.28Å; I24-L56 HydrophobicContact CG1-CD2 3.72Å; I24-A58 HydrophobicContact CD1-CB 3.38Å; I24-I125 HydrophobicContact CD1-CD1 4.19Å |
| 25 | P | 67.5 | Low | 71.8 | Confident | 7 Ų | 7 | 33.8 Ų | 33.8 | 5% | 0.045 | 17% | 0.171 | C | C | . | . | trans | -55.7 | 114.8 | -174.1 | -28.3 | 37 | 0 | 0 | 0 | 111.8 | N23 K27 E49 T51 V193 | N23-P25 WeakPolarHBondContact O-CD 3.14Å; P25-K27 HydrophobicContact CB-CD 4.4Å; P25-K27 PolarHBondContact O-N 3.46Å; P25-E49 PolarHBondContact O-N 3.36Å; P25-T51 HydrophobicContact CG-CG2 4.26Å; P25-V193 HydrophobicContact CB-CB 3.94Å; P25-V193 HydrophobicContact CB-CG1 4.46Å; P25-V193 HydrophobicContact CB-CG2 3.7Å; P25-V193 HydrophobicContact CG-CB 4.48Å; P25-V193 HydrophobicContact CG-CG2 3.69Å | ||
| 26 | L | 74.5 | Confident | 73.9 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 129.1 | 159.8 | 176.4 | 63.4 | 0 | 0 | 0 | 106.8 | I24 V29 F46 Y48 N191 Y195 | I24-L26 PolarHBondContact O-N 3.32Å; L26-V29 HydrophobicContact CD1-CG2 4.11Å; L26-V29 HydrophobicContact CD2-CG2 3.76Å; L26-V29 HydrophobicContact CG-CG2 4.3Å; L26-F46 HydrophobicContact CD1-CB 4.1Å; L26-F46 HydrophobicContact CD1-CD1 4.25Å; L26-Y48 HydrophobicContact CB-CD1 3.88Å; L26-Y48 HydrophobicContact CB-CE1 3.52Å; L26-Y48 HydrophobicContact CD1-CD1 4.04Å; L26-Y48 HydrophobicContact CD1-CD2 4.37Å; L26-Y48 HydrophobicContact CD1-CE1 3.63Å; L26-Y48 HydrophobicContact CD1-CE2 4Å; L26-Y48 HydrophobicContact CD1-CG 4.4Å; L26-Y48 HydrophobicContact CG-CE1 4.08Å; L26-N191 WeakPolarHBondContact CB-ND2 3.43Å; L26-N191 PolarHBondContact O-ND2 2.98Å; L26-Y195 HydrophobicContact CD2-CD1 4.46Å; L26-Y195 HydrophobicContact CD2-CD2 3.54Å; L26-Y195 HydrophobicContact CD2-CE1 4.43Å; L26-Y195 HydrophobicContact CD2-CE2 3.51Å; L26-Y195 HydrophobicContact CD2-CG 4.01Å; L26-Y195 HydrophobicContact CG-CD2 3.92Å; L26-Y195 HydrophobicContact CG-CE2 4.39Å; L26-Y195 HydrophobicContact CG-CG 4.09Å; L26-Y195 VanDerWaalsContact O-CB 3.23Å; L26-Y195 WeakPolarHBondContact O-CB 3.24Å |
| 27 | K | 82.4 | Confident | 75.9 | Confident | 70 Ų | 70 | 33.2 Ų | 33.2 | 30% | 0.304 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -41.6 | -179.5 | -59.6 | -60.9 | -175.8 | 165.4 | 0 | 111.6 | P25 L47 E49 Y195 T196 | P25-K27 HydrophobicContact CB-CD 4.4Å; P25-K27 PolarHBondContact O-N 3.46Å; K27-L47 HydrophobicContact CB-CD2 4.36Å; K27-L47 HydrophobicContact CB-CG 4.42Å; K27-L47 PolarHBondContact N-O 2.98Å; K27-E49 WeakPolarHBondContact CE-OE2 3.46Å; K27-E49 HydrophobicContact CG-CB 4.45Å; K27-E49 IonicContact NZ-OE2 3.79Å; K27-E49 PolarHBondContact NZ-OE2 2.89Å; K27-Y195 WeakPolarHBondContact O-CA 3.38Å; K27-Y195 WeakPolarHBondContact O-CB 3.47Å; K27-T196 PolarHBondContact O-N 2.85Å |
| 28 | S | 87 | Confident | 78.2 | Confident | 32 Ų | 32 | 33.1 Ų | 33.1 | 22% | 0.224 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 150.4 | -179 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | L47 T196 | S28-L47 PolarHBondContact O-N 2.86Å; S28-L47 WeakPolarHBondContact OG-CB 3.42Å; S28-T196 CarbonylContact C-O 3.58Å; S28-T196 VanDerWaalsContact CA-O 3.26Å; S28-T196 WeakPolarHBondContact CA-O 3.32Å |
| 29 | V | 89.6 | Confident | 80.2 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.7 | 166 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | L26 I31 V44 E45 F46 Y195 T196 I197 S198 | L26-V29 HydrophobicContact CD1-CG2 4.11Å; L26-V29 HydrophobicContact CD2-CG2 3.76Å; L26-V29 HydrophobicContact CG-CG2 4.3Å; V29-I31 HydrophobicContact CG1-CG1 4.04Å; V29-V44 HydrophobicContact CG1-CG1 3.54Å; V29-E45 CarbonylContact C-O 3.59Å; V29-E45 WeakPolarHBondContact CA-O 3.33Å; V29-F46 HydrophobicContact CG1-CD1 4.19Å; V29-F46 HydrophobicContact CG1-CE1 4.09Å; V29-F46 HydrophobicContact CG2-CD1 3.83Å; V29-F46 HydrophobicContact CG2-CE1 4.15Å; V29-Y195 HydrophobicContact CG2-CD2 4.19Å; V29-Y195 HydrophobicContact CG2-CE2 4.11Å; V29-T196 PolarHBondContact N-O 3.49Å; V29-I197 HydrophobicContact CB-CG1 4.06Å; V29-I197 HydrophobicContact CB-CG2 4.41Å; V29-I197 HydrophobicContact CG2-CG1 4.18Å; V29-I197 WeakPolarHBondContact O-CA 3.26Å; V29-S198 PolarHBondContact O-N 2.92Å; V29-S198 PolarHBondContact O-OG 3.27Å |
| 30 | Q | 94.9 | Very high | 82.5 | Confident | 53 Ų | 53 | 26.5 Ų | 26.5 | 25% | 0.248 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.9 | 172.8 | -175.4 | 173.5 | 28.4 | 0 | 0 | 110 | K32 V44 E45 | Q30-K32 HydrophobicContact CG-CG 4.49Å; Q30-V44 WeakPolarHBondContact O-CA 3.49Å; Q30-E45 HydrophobicContact CB-CB 4.4Å; Q30-E45 PolarHBondContact N-O 3.17Å; Q30-E45 PolarHBondContact O-N 3.48Å |
| 31 | I | 96.5 | Very high | 84.7 | Confident | 18 Ų | 18 | 24.4 Ų | 24.4 | 9% | 0.092 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.3 | 178.5 | -52.8 | 173.7 | 0 | 0 | 0 | 108.5 | V29 V42 M43 V44 L162 I197 S198 F199 E200 | V29-I31 HydrophobicContact CG1-CG1 4.04Å; I31-V42 HydrophobicContact CG2-CG1 3.74Å; I31-M43 WeakPolarHBondContact CA-O 3.48Å; I31-V44 HydrophobicContact CG1-CG1 4.19Å; I31-V44 HydrophobicContact CG1-CG2 4.3Å; I31-V44 HydrophobicContact CG2-CG2 4.36Å; I31-L162 HydrophobicContact CD1-CD1 4.47Å; I31-L162 HydrophobicContact CG2-CD1 3.83Å; I31-I197 HydrophobicContact CD1-CG2 4.1Å; I31-S198 PolarHBondContact N-O 3Å; I31-F199 HydrophobicContact CB-CB 4.44Å; I31-F199 HydrophobicContact CB-CD2 3.94Å; I31-F199 HydrophobicContact CG2-CD2 3.63Å; I31-F199 HydrophobicContact CG2-CE2 4.11Å; I31-F199 WeakPolarHBondContact O-CA 3.36Å; I31-E200 PolarHBondContact O-N 3.13Å |
| 32 | K | 97.1 | Very high | 86.6 | Confident | 90 Ų | 90 | 21.2 Ų | 21.2 | 39% | 0.391 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.1 | 171.1 | -66.1 | -176.4 | -176.3 | 166.9 | 0 | 109.1 | Q30 M43 E200 | Q30-K32 HydrophobicContact CG-CG 4.49Å; K32-M43 HydrophobicContact CB-CB 4.49Å; K32-M43 HydrophobicContact CB-CE 4.4Å; K32-M43 HydrophobicContact CD-CE 3.86Å; K32-M43 HydrophobicContact CG-CE 4.3Å; K32-M43 PolarHBondContact N-O 2.79Å; K32-M43 PolarHBondContact O-N 3.3Å; K32-E200 CarbonylContact C-O 3.59Å; K32-E200 VanDerWaalsContact CA-O 3.32Å; K32-E200 WeakPolarHBondContact CA-O 3.34Å |
| 33 | C | 96.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.8 | -177.7 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | I35 V42 F199 E200 S201 E202 | C33-I35 VanDerWaalsContact SG-CG1 3.56Å; C33-V42 HydrophobicContact CB-CG2 4.28Å; C33-F199 HydrophobicContact CB-CE2 3.85Å; C33-F199 HydrophobicContact CB-CZ 4.15Å; C33-E200 PolarHBondContact N-O 3.44Å; C33-S201 CarbonylContact O-C 3.56Å; C33-S201 WeakPolarHBondContact O-CA 3.46Å; C33-S201 WeakPolarHBondContact O-CB 3.34Å; C33-S201 PolarHBondContact O-OG 3.18Å; C33-E202 PolarHBondContact O-N 3.34Å |
| 34 | R | 94 | Very high | 90.2 | Very high | 67 Ų | 67 | 19.8 Ų | 19.8 | 25% | 0.253 | 10% | 0.095 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 126.2 | 167.3 | -69.8 | -171.9 | -174.6 | 124.9 | -3.1 | 109.1 | S40 D41 E202 W204 L557 | R34-S40 WeakPolarHBondContact O-CA 3.36Å; R34-D41 HydrophobicContact CB-CB 4.43Å; R34-D41 PolarHBondContact N-O 3.42Å; R34-D41 PolarHBondContact O-N 3.46Å; R34-E202 WeakPolarHBondContact CA-O 3.25Å; R34-E202 HydrophobicContact CG-CB 4.47Å; R34-W204 HydrophobicContact CB-CZ3 3.95Å; R34-W204 HydrophobicContact CG-CH2 4.35Å; R34-W204 HydrophobicContact CG-CZ3 4.03Å; R34-L557 HydrophobicContact CB-CD2 4.48Å; R34-L557 VanDerWaalsContact CD-CD2 3.49Å |
| 35 | I | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 116.2 | 177.9 | -54.2 | -178.7 | 0 | 0 | 0 | 109.3 | C33 L39 I141 L160 E202 L203 W204 M205 M246 | C33-I35 VanDerWaalsContact SG-CG1 3.56Å; I35-L39 VanDerWaalsContact CA-O 3.27Å; I35-L39 WeakPolarHBondContact CA-O 3.48Å; I35-I141 HydrophobicContact CB-CD1 4.19Å; I35-I141 HydrophobicContact CD1-CD1 3.76Å; I35-I141 HydrophobicContact CG1-CD1 3.86Å; I35-I141 HydrophobicContact CG2-CD1 3.33Å; I35-L160 HydrophobicContact CD1-CB 4.4Å; I35-L160 HydrophobicContact CD1-CD1 4.5Å; I35-L160 HydrophobicContact CD1-CD2 4.14Å; I35-E202 PolarHBondContact N-O 2.85Å; I35-L203 HydrophobicContact CB-CD2 3.74Å; I35-L203 HydrophobicContact CD1-CD2 3.55Å; I35-L203 HydrophobicContact CG1-CD2 3.82Å; I35-L203 CarbonylContact O-C 3.58Å; I35-W204 PolarHBondContact O-N 3.37Å; I35-M205 HydrophobicContact CB-CE 3.91Å; I35-M205 HydrophobicContact CG2-CE 3.42Å; I35-M205 VanDerWaalsContact CG2-CE 3.42Å; I35-M246 HydrophobicContact CD1-CE 3.8Å |
| 36 | I | 92.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 120.2 | 175.3 | -57.9 | 169.2 | 0 | 0 | 0 | 107.2 | M38 L39 W204 I551 I553 K556 L557 | I36-M38 PolarHBondContact O-N 3.46Å; I36-M38 VanDerWaalsContact O-N 3.09Å; I36-L39 PolarHBondContact N-O 2.7Å; I36-L39 PolarHBondContact O-N 2.88Å; I36-W204 HydrophobicContact CD1-CE3 4.41Å; I36-W204 HydrophobicContact CG1-CB 4.33Å; I36-W204 HydrophobicContact CG1-CD2 4.18Å; I36-W204 HydrophobicContact CG1-CE3 3.61Å; I36-W204 HydrophobicContact CG1-CZ3 4.21Å; I36-W204 HydrophobicContact CG2-CB 4.49Å; I36-I551 HydrophobicContact CG2-CG2 4.18Å; I36-I553 HydrophobicContact CB-CD1 4.41Å; I36-I553 HydrophobicContact CD1-CD1 4.26Å; I36-I553 HydrophobicContact CD1-CG1 4.44Å; I36-I553 HydrophobicContact CD1-CG2 3.95Å; I36-I553 HydrophobicContact CG2-CD1 4.16Å; I36-I553 HydrophobicContact CG2-CG1 4.34Å; I36-K556 HydrophobicContact CD1-CB 4.06Å; I36-L557 HydrophobicContact CD1-CD2 4Å; I36-L557 HydrophobicContact CD1-CG 4.09Å |
| 37 | N | 93.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -116.1 | -169.8 | -72 | -28.5 | 0 | 0 | 0 | 110.3 | W204 L257 S259 I551 | N37-W204 PolarHBondContact N-O 3.08Å; N37-L257 HydrophobicContact CB-CD1 3.84Å; N37-S259 PolarHBondContact ND2-OG 3.03Å; N37-I551 WeakPolarHBondContact OD1-CD1 3.5Å |
| 38 | M | 94.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 25.7 | -179.8 | -51.9 | -61.5 | -56 | 0 | 0 | 112.5 | I36 I141 E142 I158 L254 L257 F511 | I36-M38 PolarHBondContact O-N 3.46Å; I36-M38 VanDerWaalsContact O-N 3.09Å; M38-I141 HydrophobicContact CE-CB 4.35Å; M38-I141 VanDerWaalsContact CE-O 3.26Å; M38-I141 WeakPolarHBondContact CE-O 3.4Å; M38-I141 PolarHBondContact O-N 3.09Å; M38-E142 VanDerWaalsContact CE-O 3.31Å; M38-E142 WeakPolarHBondContact CE-O 3.38Å; M38-I158 HydrophobicContact CE-CB 4.37Å; M38-I158 HydrophobicContact CE-CD1 4.28Å; M38-I158 HydrophobicContact CE-CG1 3.93Å; M38-I158 HydrophobicContact CE-CG2 3.83Å; M38-I158 HydrophobicContact SD-CD1 3.46Å; M38-I158 WeakPolarHBondContact SD-CD1 3.37Å; M38-I158 HydrophobicContact SD-CG1 3.72Å; M38-I158 HydrophobicContact SD-CG2 4.27Å; M38-L254 HydrophobicContact SD-CD2 4.14Å; M38-L257 HydrophobicContact CG-CD1 3.82Å; M38-F511 HydrophobicContact CE-CE2 4.28Å; M38-F511 HydrophobicContact CG-CD2 4.2Å; M38-F511 HydrophobicContact CG-CE2 3.72Å; M38-F511 HydrophobicContact CG-CZ 4.1Å; M38-F511 HydrophobicContact SD-CE2 4.07Å |
| 39 | L | 95.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 133.3 | 177.4 | 176.7 | 146.9 | 0 | 0 | 0 | 109.9 | I35 I36 D41 V138 M277 P564 I565 L568 | I35-L39 VanDerWaalsContact CA-O 3.27Å; I35-L39 WeakPolarHBondContact CA-O 3.48Å; I36-L39 PolarHBondContact N-O 2.7Å; I36-L39 PolarHBondContact O-N 2.88Å; L39-D41 HydrophobicContact CD2-CB 4.47Å; L39-V138 HydrophobicContact CD1-CG2 3.9Å; L39-V138 HydrophobicContact CD2-CG2 3.98Å; L39-V138 HydrophobicContact CG-CG2 3.83Å; L39-M277 HydrophobicContact CB-CE 4.19Å; L39-M277 HydrophobicContact CD1-CE 4.25Å; L39-M277 HydrophobicContact CD1-SD 4.19Å; L39-P564 HydrophobicContact CD2-CB 4.36Å; L39-I565 HydrophobicContact CD1-CG1 4.23Å; L39-L568 HydrophobicContact CD1-CD2 3.72Å; L39-L568 HydrophobicContact CG-CD2 4.44Å |
| 40 | S | 95.6 | Very high | 93 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 5% | 0.049 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.7 | 173 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | R34 V138 G139 | R34-S40 WeakPolarHBondContact O-CA 3.36Å; S40-V138 CarbonylContact O-C 3.59Å; S40-V138 WeakPolarHBondContact O-CA 3.12Å; S40-V138 WeakPolarHBondContact O-CG2 3.41Å; S40-G139 PolarHBondContact N-O 3.5Å; S40-G139 PolarHBondContact O-N 3.07Å; S40-G139 PolarHBondContact OG-O 2.92Å |
| 41 | D | 95.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.037 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 110.2 | 167.3 | 177.8 | 28.1 | 0 | 0 | 0 | 108.1 | R34 L39 Y70 P564 | R34-D41 HydrophobicContact CB-CB 4.43Å; R34-D41 PolarHBondContact N-O 3.42Å; R34-D41 PolarHBondContact O-N 3.46Å; L39-D41 HydrophobicContact CD2-CB 4.47Å; D41-Y70 PolarHBondContact OD1-OH 3.18Å; D41-P564 HydrophobicContact CB-CB 4.4Å |
| 42 | V | 96.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132.5 | -170.1 | -171 | 0 | 0 | 0 | 0 | 109.9 | I31 C33 V44 R136 Y137 L162 | I31-V42 HydrophobicContact CG2-CG1 3.74Å; C33-V42 HydrophobicContact CB-CG2 4.28Å; V42-V44 HydrophobicContact CG1-CG2 3.94Å; V42-R136 CarbonylContact O-C 3.55Å; V42-R136 WeakPolarHBondContact O-CA 3.43Å; V42-Y137 HydrophobicContact CB-CD1 4.46Å; V42-Y137 HydrophobicContact CB-CD2 3.91Å; V42-Y137 HydrophobicContact CB-CE1 4.08Å; V42-Y137 HydrophobicContact CB-CE2 3.47Å; V42-Y137 VanDerWaalsContact CB-CE2 3.47Å; V42-Y137 HydrophobicContact CB-CG 4.39Å; V42-Y137 HydrophobicContact CG1-CE1 4.03Å; V42-Y137 HydrophobicContact CG1-CE2 3.96Å; V42-Y137 WeakPolarHBondContact CG1-OH 3.49Å; V42-Y137 HydrophobicContact CG2-CD2 4.14Å; V42-Y137 HydrophobicContact CG2-CE2 3.57Å; V42-Y137 PolarHBondContact N-O 2.89Å; V42-Y137 PolarHBondContact O-N 3.44Å; V42-L162 HydrophobicContact CG2-CD2 4.23Å |
| 43 | M | 96.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 27.8 Ų | 27.8 | 15% | 0.153 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.9 | 167.4 | -174.4 | -166.5 | 91 | 0 | 0 | 108.8 | I31 K32 V134 L135 R136 | I31-M43 WeakPolarHBondContact CA-O 3.48Å; K32-M43 HydrophobicContact CB-CB 4.49Å; K32-M43 HydrophobicContact CB-CE 4.4Å; K32-M43 HydrophobicContact CD-CE 3.86Å; K32-M43 HydrophobicContact CG-CE 4.3Å; K32-M43 PolarHBondContact N-O 2.79Å; K32-M43 PolarHBondContact O-N 3.3Å; M43-V134 HydrophobicContact CG-CG1 3.67Å; M43-V134 HydrophobicContact SD-CG1 4.23Å; M43-L135 CarbonylContact C-O 3.58Å; M43-L135 VanDerWaalsContact CA-O 3.29Å; M43-L135 WeakPolarHBondContact CA-O 3.46Å; M43-R136 HydrophobicContact CB-CG 4.35Å; M43-R136 HydrophobicContact CG-CG 4.16Å |
| 44 | V | 95.2 | Very high | 89.7 | Confident | 8 Ų | 8 | 31 Ų | 31 | 5% | 0.048 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.7 | 174.9 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | V29 Q30 I31 V42 F46 V134 L135 Y137 | V29-V44 HydrophobicContact CG1-CG1 3.54Å; Q30-V44 WeakPolarHBondContact O-CA 3.49Å; I31-V44 HydrophobicContact CG1-CG1 4.19Å; I31-V44 HydrophobicContact CG1-CG2 4.3Å; I31-V44 HydrophobicContact CG2-CG2 4.36Å; V42-V44 HydrophobicContact CG1-CG2 3.94Å; V44-F46 HydrophobicContact CB-CE2 3.96Å; V44-F46 HydrophobicContact CB-CZ 4.35Å; V44-F46 HydrophobicContact CG1-CD2 4Å; V44-F46 HydrophobicContact CG1-CE1 4.13Å; V44-F46 HydrophobicContact CG1-CE2 3.39Å; V44-F46 HydrophobicContact CG1-CZ 3.47Å; V44-F46 VanDerWaalsContact CG1-CZ 3.47Å; V44-V134 CarbonylContact O-C 3.5Å; V44-V134 WeakPolarHBondContact O-CA 3.35Å; V44-L135 PolarHBondContact N-O 3.09Å; V44-L135 PolarHBondContact O-N 3.11Å; V44-Y137 HydrophobicContact CG2-CE1 3.69Å |
| 45 | E | 94.8 | Very high | 88.9 | Confident | 65 Ų | 65 | 29 Ų | 29 | 30% | 0.304 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.1 | 172.5 | -175.3 | 178.4 | 101.2 | 0 | 0 | 109.9 | V29 Q30 I133 V134 | V29-E45 CarbonylContact C-O 3.59Å; V29-E45 WeakPolarHBondContact CA-O 3.33Å; Q30-E45 HydrophobicContact CB-CB 4.4Å; Q30-E45 PolarHBondContact N-O 3.17Å; Q30-E45 PolarHBondContact O-N 3.48Å; E45-I133 CarbonylContact C-O 3.6Å; E45-I133 VanDerWaalsContact CA-O 3.24Å; E45-I133 WeakPolarHBondContact CA-O 3.28Å; E45-V134 HydrophobicContact CB-CG2 4.19Å; E45-V134 HydrophobicContact CG-CG2 3.98Å |
| 46 | F | 90.1 | Very high | 88 | Confident | 17 Ų | 17 | 29.3 Ų | 29.3 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.8 | 174.2 | -55 | -99.4 | 0 | 0 | 0 | 109.5 | L26 V29 V44 Y48 F60 A132 I133 L135 | L26-F46 HydrophobicContact CD1-CB 4.1Å; L26-F46 HydrophobicContact CD1-CD1 4.25Å; V29-F46 HydrophobicContact CG1-CD1 4.19Å; V29-F46 HydrophobicContact CG1-CE1 4.09Å; V29-F46 HydrophobicContact CG2-CD1 3.83Å; V29-F46 HydrophobicContact CG2-CE1 4.15Å; V44-F46 HydrophobicContact CB-CE2 3.96Å; V44-F46 HydrophobicContact CB-CZ 4.35Å; V44-F46 HydrophobicContact CG1-CD2 4Å; V44-F46 HydrophobicContact CG1-CE1 4.13Å; V44-F46 HydrophobicContact CG1-CE2 3.39Å; V44-F46 HydrophobicContact CG1-CZ 3.47Å; V44-F46 VanDerWaalsContact CG1-CZ 3.47Å; F46-Y48 HydrophobicContact CB-CD2 3.99Å; F46-Y48 HydrophobicContact CB-CE2 3.36Å; F46-Y48 HydrophobicContact CG-CE2 4.18Å; F46-F60 HydrophobicContact CD1-CE1 4.41Å; F46-F60 AromaticContact CE1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CZ 4.06Å; F46-F60 HydrophobicContact CZ-CE1 4.11Å; F46-A132 CarbonylContact O-C 3.51Å; F46-A132 WeakPolarHBondContact O-CA 3.47Å; F46-I133 HydrophobicContact CB-CB 4.24Å; F46-I133 HydrophobicContact CD2-CB 4.32Å; F46-I133 HydrophobicContact CD2-CG2 4.4Å; F46-I133 PolarHBondContact N-O 3.3Å; F46-I133 PolarHBondContact O-N 3.06Å; F46-L135 HydrophobicContact CE2-CD1 4.06Å |
| 47 | L | 90.3 | Very high | 87.2 | Confident | 54 Ų | 54 | 30.8 Ų | 30.8 | 28% | 0.283 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118.7 | 176.2 | -177.3 | 65.5 | 0 | 0 | 0 | 110.7 | K27 S28 A132 | K27-L47 HydrophobicContact CB-CD2 4.36Å; K27-L47 HydrophobicContact CB-CG 4.42Å; K27-L47 PolarHBondContact N-O 2.98Å; S28-L47 PolarHBondContact O-N 2.86Å; S28-L47 WeakPolarHBondContact OG-CB 3.42Å; L47-A132 HydrophobicContact CD1-CB 4.4Å |
| 48 | Y | 84.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 155.2 | 178.1 | -65 | -86.3 | 0 | 0 | 0 | 111.5 | L15 I24 L26 F46 K130 V131 I133 | L15-Y48 HydrophobicContact CB-CD1 3.87Å; L15-Y48 HydrophobicContact CB-CE1 3.59Å; L15-Y48 HydrophobicContact CD1-CD1 3.39Å; L15-Y48 HydrophobicContact CD1-CD2 3.4Å; L15-Y48 HydrophobicContact CD1-CE1 3.53Å; L15-Y48 HydrophobicContact CD1-CE2 3.54Å; L15-Y48 HydrophobicContact CD1-CG 3.31Å; L15-Y48 HydrophobicContact CG-CD1 3.79Å; L15-Y48 HydrophobicContact CG-CD2 4.23Å; L15-Y48 HydrophobicContact CG-CE1 3.4Å; L15-Y48 HydrophobicContact CG-CE2 3.89Å; L15-Y48 HydrophobicContact CG-CG 4.17Å; L15-Y48 VanDerWaalsContact CG-CZ 3.46Å; I24-Y48 HydrophobicContact CG2-CD1 4.38Å; L26-Y48 HydrophobicContact CB-CD1 3.88Å; L26-Y48 HydrophobicContact CB-CE1 3.52Å; L26-Y48 HydrophobicContact CD1-CD1 4.04Å; L26-Y48 HydrophobicContact CD1-CD2 4.37Å; L26-Y48 HydrophobicContact CD1-CE1 3.63Å; L26-Y48 HydrophobicContact CD1-CE2 4Å; L26-Y48 HydrophobicContact CD1-CG 4.4Å; L26-Y48 HydrophobicContact CG-CE1 4.08Å; F46-Y48 HydrophobicContact CB-CD2 3.99Å; F46-Y48 HydrophobicContact CB-CE2 3.36Å; F46-Y48 HydrophobicContact CG-CE2 4.18Å; Y48-K130 WeakPolarHBondContact O-CA 3.5Å; Y48-V131 PolarHBondContact N-O 3.27Å; Y48-V131 PolarHBondContact O-N 3.06Å; Y48-I133 HydrophobicContact CD2-CD1 3.93Å; Y48-I133 HydrophobicContact CD2-CG1 4.34Å; Y48-I133 HydrophobicContact CE2-CD1 3.63Å; Y48-I133 HydrophobicContact CE2-CG1 4.38Å |
| 49 | E | 83.9 | Confident | 85.8 | Confident | 56 Ų | 56 | 32.1 Ų | 32.1 | 26% | 0.262 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 118.4 | 175.4 | -178.1 | 174.6 | -136.7 | 0 | 0 | 109.7 | I24 P25 K27 T51 K130 | I24-E49 VanDerWaalsContact CG2-O 3.31Å; I24-E49 WeakPolarHBondContact CG2-O 3.48Å; P25-E49 PolarHBondContact O-N 3.36Å; K27-E49 WeakPolarHBondContact CE-OE2 3.46Å; K27-E49 HydrophobicContact CG-CB 4.45Å; K27-E49 IonicContact NZ-OE2 3.79Å; K27-E49 PolarHBondContact NZ-OE2 2.89Å; E49-T51 HydrophobicContact CG-CG2 4.15Å; E49-T51 PolarHBondContact O-N 3.43Å; E49-T51 VanDerWaalsContact O-N 3.15Å; E49-K130 HydrophobicContact CG-CG 4.49Å |
| 50 | N | 82.9 | Confident | 84.8 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | trans | -73 | 102.6 | 169.4 | 176.9 | 9.3 | 0 | 0 | 0 | 108.8 | L52 E54 L56 I125 P126 N128 G129 | N50-L52 VanDerWaalsContact C-N 3.27Å; N50-L52 PolarHBondContact O-N 3.42Å; N50-L52 VanDerWaalsContact OD1-CB 3.3Å; N50-L52 WeakPolarHBondContact OD1-CB 3.44Å; N50-L52 PolarHBondContact OD1-N 3.42Å; N50-E54 PolarHBondContact ND2-O 3.49Å; N50-L56 HydrophobicContact CB-CD2 4.11Å; N50-L56 WeakPolarHBondContact OD1-CD2 3.42Å; N50-I125 HydrophobicContact CB-CG2 3.74Å; N50-I125 PolarHBondContact ND2-O 2.88Å; N50-P126 PolarHBondContact ND2-O 3.06Å; N50-N128 CarbonylContact O-C 3.57Å; N50-N128 WeakPolarHBondContact O-CA 3.44Å; N50-N128 PolarHBondContact O-N 2.97Å; N50-N128 VanDerWaalsContact O-N 3.11Å; N50-G129 PolarHBondContact N-O 3.2Å | ||
| 51 | T | 79.9 | Confident | 84 | Confident | 71 Ų | 71 | 32.9 Ų | 32.9 | 44% | 0.436 | 17% | 0.171 | S | C | . | . | trans | -84.3 | 1.6 | 178.9 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | P25 E49 | P25-T51 HydrophobicContact CG-CG2 4.26Å; E49-T51 HydrophobicContact CG-CG2 4.15Å; E49-T51 PolarHBondContact O-N 3.43Å; E49-T51 VanDerWaalsContact O-N 3.15Å | ||
| 52 | L | 77.5 | Confident | 83.4 | Confident | 43 Ų | 43 | 33.1 Ų | 33.1 | 23% | 0.225 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -87.5 | 160.7 | 179 | -53 | 179.1 | 0 | 0 | 0 | 111.2 | C17 N50 E54 L56 N128 | C17-L52 HydrophobicContact CB-CD1 4.39Å; N50-L52 VanDerWaalsContact C-N 3.27Å; N50-L52 PolarHBondContact O-N 3.42Å; N50-L52 VanDerWaalsContact OD1-CB 3.3Å; N50-L52 WeakPolarHBondContact OD1-CB 3.44Å; N50-L52 PolarHBondContact OD1-N 3.42Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 HydrophobicContact CB-CG 4.34Å; L52-L56 HydrophobicContact CD1-CD2 4.08Å; L52-N128 PolarHBondContact O-N 2.98Å |
| 53 | Q | 78.4 | Confident | 82.9 | Confident | 145 Ų | 145 | 33.7 Ų | 33.7 | 68% | 0.678 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -89.5 | 11 | 176.5 | -60.7 | -55.1 | -46.4 | 0 | 0 | 113.1 | N128 | Q53-N128 PolarHBondContact NE2-OD1 3.48Å; Q53-N128 PolarHBondContact OE1-ND2 3.08Å |
| 54 | E | 77.7 | Confident | 82.7 | Confident | 69 Ų | 69 | 32.6 Ų | 32.6 | 32% | 0.322 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -128.6 | 153.9 | 178.5 | 59.1 | -174.4 | 172.7 | 0 | 0 | 110.5 | R19 N50 L52 | R19-E54 IonicContact NH1-OE2 3.89Å; R19-E54 PolarHBondContact NH1-OE2 3.45Å; N50-E54 PolarHBondContact ND2-O 3.49Å; L52-E54 VanDerWaalsContact C-N 3.27Å; L52-E54 HydrophobicContact CB-CG 4.34Å |
| 55 | A | 78.6 | Confident | 82.4 | Confident | 25 Ų | 25 | 34 Ų | 34 | 21% | 0.207 | 18% | 0.178 | C | C | . | . | trans | -68.7 | 148.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | I125 V630 | A55-I125 WeakPolarHBondContact CA-O 3.48Å; A55-V630 HydrophobicContact CB-CB 4.3Å; A55-V630 HydrophobicContact CB-CG1 3.83Å; A55-V630 HydrophobicContact CB-CG2 4.12Å | ||
| 56 | L | 74.7 | Confident | 82 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 161.7 | -176.8 | 59.7 | 75.2 | 0 | 0 | 0 | 111.7 | C17 I24 N50 L52 A58 N124 I125 | C17-L56 HydrophobicContact CB-CB 4.44Å; C17-L56 HydrophobicContact CB-CD2 4.21Å; I24-L56 HydrophobicContact CD1-CD1 3.22Å; I24-L56 HydrophobicContact CD1-CD2 3.56Å; I24-L56 HydrophobicContact CD1-CG 4.06Å; I24-L56 HydrophobicContact CG1-CD1 4.28Å; I24-L56 HydrophobicContact CG1-CD2 3.72Å; N50-L56 HydrophobicContact CB-CD2 4.11Å; N50-L56 WeakPolarHBondContact OD1-CD2 3.42Å; L52-L56 HydrophobicContact CD1-CD2 4.08Å; L56-A58 HydrophobicContact CD1-CB 3.95Å; L56-N124 CarbonylContact O-C 3.58Å; L56-N124 VanDerWaalsContact O-CA 3.27Å; L56-N124 WeakPolarHBondContact O-CA 3.43Å; L56-N124 PolarHBondContact O-N 3.11Å; L56-I125 HydrophobicContact CD1-CB 3.65Å; L56-I125 HydrophobicContact CD1-CD1 3.53Å; L56-I125 HydrophobicContact CD1-CG1 3.84Å; L56-I125 HydrophobicContact CG-CB 4.12Å; L56-I125 PolarHBondContact N-O 3.43Å; L56-I125 VanDerWaalsContact N-O 3.11Å; L56-I125 PolarHBondContact O-N 3.16Å |
| 57 | E | 76.9 | Confident | 82.2 | Confident | 33 Ų | 33 | 33.3 Ų | 33.3 | 15% | 0.154 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.7 | 162.5 | -177.6 | 174.1 | 169.5 | 0 | 0 | 108.7 | C17 Q18 Y95 I122 | C17-E57 WeakPolarHBondContact CA-O 3.48Å; Q18-E57 HydrophobicContact CB-CB 4.13Å; Q18-E57 WeakPolarHBondContact CB-O 3.36Å; Q18-E57 HydrophobicContact CG-CB 4.16Å; Q18-E57 HydrophobicContact CG-CG 4.11Å; Q18-E57 PolarHBondContact N-O 2.98Å; Q18-E57 VanDerWaalsContact NE2-CG 3.3Å; Q18-E57 PolarHBondContact NE2-OE1 3.48Å; Q18-E57 PolarHBondContact OE1-OE1 3.21Å; Q18-E57 PolarHBondContact OE1-OE2 3.08Å; Q18-E57 VanDerWaalsContact OE1-OE2 3.06Å; E57-Y95 WeakPolarHBondContact CG-OH 3.39Å; E57-Y95 VanDerWaalsContact OE1-CE1 3.27Å; E57-Y95 WeakPolarHBondContact OE1-CE1 3.41Å; E57-Y95 PolarHBondContact OE1-OH 3.36Å; E57-I122 CarbonylContact C-O 3.57Å; E57-I122 VanDerWaalsContact CA-O 3.29Å; E57-I122 WeakPolarHBondContact CA-O 3.29Å |
| 58 | A | 77.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L15 V16 I24 L56 N121 I122 I125 | L15-A58 HydrophobicContact CB-CB 4.26Å; L15-A58 HydrophobicContact CD1-CB 4.27Å; L15-A58 HydrophobicContact CD2-CB 3.72Å; L15-A58 HydrophobicContact CG-CB 4.31Å; V16-A58 VanDerWaalsContact O-CA 3.23Å; V16-A58 WeakPolarHBondContact O-CA 3.05Å; I24-A58 HydrophobicContact CD1-CB 3.38Å; L56-A58 HydrophobicContact CD1-CB 3.95Å; A58-N121 CarbonylContact O-C 3.56Å; A58-N121 WeakPolarHBondContact O-CA 2.92Å; A58-I122 PolarHBondContact N-O 3.49Å; A58-I122 PolarHBondContact O-N 2.98Å; A58-I125 HydrophobicContact CB-CD1 3.89Å |
| 59 | S | 78.8 | Confident | 83.1 | Confident | 32 Ų | 32 | 30.8 Ų | 30.8 | 22% | 0.224 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 146.9 | 172.6 | -163.4 | 0 | 0 | 0 | 0 | 111.9 | L15 V16 M120 N121 | L15-S59 WeakPolarHBondContact CA-O 3.46Å; V16-S59 PolarHBondContact N-O 3.15Å; V16-S59 PolarHBondContact O-N 3.33Å; S59-M120 CarbonylContact C-O 3.55Å; S59-M120 WeakPolarHBondContact CA-O 3.18Å; S59-M120 PolarHBondContact OG-O 3.39Å; S59-N121 WeakPolarHBondContact CB-OD1 3.46Å; S59-N121 PolarHBondContact OG-OD1 3.23Å |
| 60 | F | 75.2 | Confident | 83.7 | Confident | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 125.2 | 179.9 | 175.2 | -118.7 | 0 | 0 | 0 | 110.6 | L13 G14 L15 F46 F62 K119 M120 | L13-F60 HydrophobicContact CB-CE2 3.84Å; L13-F60 HydrophobicContact CB-CZ 4.43Å; G14-F60 WeakPolarHBondContact O-CD2 3.4Å; L15-F60 HydrophobicContact CD2-CB 3.48Å; L15-F60 VanDerWaalsContact CD2-CB 3.48Å; L15-F60 HydrophobicContact CG-CB 4.12Å; F46-F60 HydrophobicContact CD1-CE1 4.41Å; F46-F60 AromaticContact CE1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CE1 3.87Å; F46-F60 HydrophobicContact CE1-CZ 4.06Å; F46-F60 HydrophobicContact CZ-CE1 4.11Å; F60-F62 HydrophobicContact CD1-CB 4.28Å; F60-F62 AromaticContact CD1-CD1 3.45Å; F60-F62 HydrophobicContact CD1-CD1 3.45Å; F60-F62 VanDerWaalsContact CD1-CD1 3.45Å; F60-F62 HydrophobicContact CD1-CE1 4.2Å; F60-F62 HydrophobicContact CD1-CG 4.15Å; F60-F62 HydrophobicContact CE1-CB 3.55Å; F60-F62 AromaticContact CE1-CD1 3.44Å; F60-F62 HydrophobicContact CE1-CD1 3.44Å; F60-F62 VanDerWaalsContact CE1-CD1 3.44Å; F60-F62 HydrophobicContact CE1-CE1 4.39Å; F60-F62 AromaticContact CE1-CG 3.65Å; F60-F62 HydrophobicContact CE1-CG 3.65Å; F60-F62 HydrophobicContact CG-CD1 4.45Å; F60-F62 HydrophobicContact CZ-CB 3.77Å; F60-F62 HydrophobicContact CZ-CD1 4.45Å; F60-F62 HydrophobicContact CZ-CG 4.37Å; F60-K119 CarbonylContact O-C 3.52Å; F60-K119 WeakPolarHBondContact O-CA 3.35Å; F60-M120 HydrophobicContact CB-CB 4.5Å; F60-M120 HydrophobicContact CD1-SD 4.21Å; F60-M120 PolarHBondContact N-O 3.3Å; F60-M120 PolarHBondContact O-N 3.49Å |
| 61 | V | 79.9 | Confident | 84.3 | Confident | 17 Ų | 17 | 29.7 Ų | 29.7 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.5 | 172.5 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | L13 F118 K119 I166 F184 L187 | L13-V61 WeakPolarHBondContact CD2-O 3.41Å; V61-F118 CarbonylContact C-O 3.59Å; V61-F118 VanDerWaalsContact CA-O 3.22Å; V61-F118 WeakPolarHBondContact CA-O 3.4Å; V61-F118 WeakPolarHBondContact CG1-O 3.21Å; V61-K119 HydrophobicContact CG2-CB 4.04Å; V61-K119 HydrophobicContact CG2-CD 4.21Å; V61-K119 HydrophobicContact CG2-CG 3.83Å; V61-I166 HydrophobicContact CG1-CD1 4.27Å; V61-F184 HydrophobicContact CG1-CD2 4.17Å; V61-L187 HydrophobicContact CB-CD2 3.36Å; V61-L187 HydrophobicContact CG1-CD2 3.45Å; V61-L187 VanDerWaalsContact CG1-CD2 3.45Å; V61-L187 HydrophobicContact CG2-CD2 3.72Å |
| 62 | F | 82.4 | Confident | 85.1 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 5% | 0.053 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 153.6 | -177.7 | 60.4 | -75.9 | 0 | 0 | 0 | 110.7 | F60 L64 F118 M120 L135 | F60-F62 HydrophobicContact CD1-CB 4.28Å; F60-F62 AromaticContact CD1-CD1 3.45Å; F60-F62 HydrophobicContact CD1-CD1 3.45Å; F60-F62 VanDerWaalsContact CD1-CD1 3.45Å; F60-F62 HydrophobicContact CD1-CE1 4.2Å; F60-F62 HydrophobicContact CD1-CG 4.15Å; F60-F62 HydrophobicContact CE1-CB 3.55Å; F60-F62 AromaticContact CE1-CD1 3.44Å; F60-F62 HydrophobicContact CE1-CD1 3.44Å; F60-F62 VanDerWaalsContact CE1-CD1 3.44Å; F60-F62 HydrophobicContact CE1-CE1 4.39Å; F60-F62 AromaticContact CE1-CG 3.65Å; F60-F62 HydrophobicContact CE1-CG 3.65Å; F60-F62 HydrophobicContact CG-CD1 4.45Å; F60-F62 HydrophobicContact CZ-CB 3.77Å; F60-F62 HydrophobicContact CZ-CD1 4.45Å; F60-F62 HydrophobicContact CZ-CG 4.37Å; F62-L64 HydrophobicContact CD2-CD2 4.32Å; F62-L64 HydrophobicContact CD2-CG 4.05Å; F62-L64 HydrophobicContact CE2-CD1 3.78Å; F62-L64 HydrophobicContact CE2-CD2 4.21Å; F62-L64 HydrophobicContact CE2-CG 3.77Å; F62-F118 HydrophobicContact CD1-CB 4.27Å; F62-F118 WeakPolarHBondContact CD1-O 3.35Å; F62-F118 HydrophobicContact CD2-CB 4.33Å; F62-F118 HydrophobicContact CE1-CB 3.64Å; F62-F118 HydrophobicContact CE2-CB 3.76Å; F62-F118 HydrophobicContact CE2-CG 4.33Å; F62-F118 HydrophobicContact CZ-CB 3.35Å; F62-F118 HydrophobicContact CZ-CG 4.2Å; F62-F118 PolarHBondContact N-O 3.28Å; F62-F118 PolarHBondContact O-N 2.98Å; F62-M120 HydrophobicContact CD1-CE 4.41Å; F62-M120 HydrophobicContact CE1-CE 3.44Å; F62-M120 VanDerWaalsContact CE1-CE 3.44Å; F62-M120 HydrophobicContact CE1-CG 3.89Å; F62-M120 HydrophobicContact CE1-SD 4.01Å; F62-M120 HydrophobicContact CE2-CE 4.45Å; F62-M120 HydrophobicContact CZ-CE 3.47Å; F62-M120 VanDerWaalsContact CZ-CE 3.47Å; F62-L135 HydrophobicContact CE1-CD1 4.42Å; F62-L135 HydrophobicContact CE2-CD1 3.61Å; F62-L135 HydrophobicContact CZ-CD1 3.51Å |
| 63 | P | 86.3 | Confident | 86 | Confident | 13 Ų | 13 | 25.3 Ų | 25.3 | 8% | 0.084 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 147.5 | 176.9 | 33.3 | -27.9 | 0 | 0 | 0 | 110.8 | D116 P163 I166 | P63-D116 CarbonylContact C-O 3.57Å; P63-D116 VanDerWaalsContact CA-O 3.27Å; P63-D116 WeakPolarHBondContact CA-O 3.45Å; P63-P163 HydrophobicContact CB-CB 4.04Å; P63-P163 HydrophobicContact CB-CG 4.26Å; P63-P163 HydrophobicContact CG-CB 4.03Å; P63-P163 HydrophobicContact CG-CG 4.43Å; P63-I166 HydrophobicContact CB-CG1 3.92Å; P63-I166 HydrophobicContact CG-CD1 4.45Å; P63-I166 HydrophobicContact CG-CG1 3.68Å |
| 64 | L | 91.6 | Very high | 86.7 | Confident | 8 Ų | 8 | 18.4 Ų | 18.4 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | trans | -135.1 | 157.7 | 159.1 | -64 | 174.8 | 0 | 0 | 0 | 108.9 | F62 V67 V69 D116 F118 Y137 P163 | F62-L64 HydrophobicContact CD2-CD2 4.32Å; F62-L64 HydrophobicContact CD2-CG 4.05Å; F62-L64 HydrophobicContact CE2-CD1 3.78Å; F62-L64 HydrophobicContact CE2-CD2 4.21Å; F62-L64 HydrophobicContact CE2-CG 3.77Å; L64-V67 HydrophobicContact CB-CG2 3.8Å; L64-V67 HydrophobicContact CD1-CG2 3.82Å; L64-V67 HydrophobicContact CG-CG2 4.35Å; L64-V69 HydrophobicContact CD1-CG2 3.32Å; L64-D116 PolarHBondContact N-O 3.16Å; L64-D116 CarbonylContact O-C 3.59Å; L64-D116 WeakPolarHBondContact O-CA 3.45Å; L64-D116 WeakPolarHBondContact O-CB 3.33Å; L64-D116 VanDerWaalsContact O-O 3.09Å; L64-F118 HydrophobicContact CB-CD2 3.8Å; L64-F118 HydrophobicContact CB-CE2 3.6Å; L64-F118 HydrophobicContact CB-CZ 4.47Å; L64-F118 HydrophobicContact CD1-CD1 4.49Å; L64-F118 HydrophobicContact CD1-CD2 3.83Å; L64-F118 HydrophobicContact CD1-CE2 3.89Å; L64-F118 HydrophobicContact CD1-CG 4.16Å; L64-F118 HydrophobicContact CD1-CZ 4.21Å; L64-F118 HydrophobicContact CG-CD2 3.9Å; L64-F118 HydrophobicContact CG-CE2 4.1Å; L64-Y137 HydrophobicContact CD1-CD1 4.17Å; L64-Y137 HydrophobicContact CD1-CE1 4.47Å; L64-Y137 HydrophobicContact CD1-CG 4.4Å; L64-Y137 HydrophobicContact CD2-CD1 4.15Å; L64-Y137 HydrophobicContact CD2-CE1 3.65Å; L64-Y137 HydrophobicContact CD2-CE2 4.19Å; L64-P163 VanDerWaalsContact CA-CG 3.48Å | ||
| 65 | N | 89.6 | Confident | 87.5 | Confident | 38 Ų | 38 | 18 Ų | 18 | 20% | 0.203 | 10% | 0.102 | C | C | . | . | trans | -67.7 | -176.9 | 168.6 | -64.1 | -25.5 | 0 | 0 | 0 | 109.7 | V67 T161 | N65-V67 HydrophobicContact CB-CG1 4.09Å; N65-V67 PolarHBondContact O-N 3.41Å; N65-T161 PolarHBondContact ND2-O 2.78Å | ||
| 66 | S | 84.8 | Confident | 87.8 | Confident | 55 Ų | 55 | 17.5 Ų | 17.5 | 39% | 0.385 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -66.4 | 80.1 | 168.2 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 67 | V | 94.8 | Very high | 88.1 | Confident | 12 Ų | 12 | 19.9 Ų | 19.9 | 7% | 0.073 | 12% | 0.122 | C | C | . | . | trans | -119.1 | 160.7 | -177.6 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | L64 N65 V69 Y137 V138 | L64-V67 HydrophobicContact CB-CG2 3.8Å; L64-V67 HydrophobicContact CD1-CG2 3.82Å; L64-V67 HydrophobicContact CG-CG2 4.35Å; N65-V67 HydrophobicContact CB-CG1 4.09Å; N65-V67 PolarHBondContact O-N 3.41Å; V67-V69 HydrophobicContact CG2-CG2 4.2Å; V67-Y137 HydrophobicContact CB-CD2 4.02Å; V67-Y137 HydrophobicContact CG1-CD2 4.11Å; V67-Y137 HydrophobicContact CG2-CD2 3.79Å; V67-Y137 HydrophobicContact CG2-CG 4Å; V67-V138 WeakPolarHBondContact CA-O 3.41Å; V67-V138 WeakPolarHBondContact CB-O 3.37Å | ||
| 68 | A | 96.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 102.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y70 Y137 V138 N571 I613 | A68-Y70 WeakPolarHBondContact O-CD1 3.3Å; A68-Y70 PolarHBondContact O-N 2.81Å; A68-Y137 CarbonylContact O-C 3.58Å; A68-Y137 WeakPolarHBondContact O-CA 3.33Å; A68-Y137 WeakPolarHBondContact O-CB 3.25Å; A68-V138 HydrophobicContact CB-CG1 3.76Å; A68-V138 PolarHBondContact N-O 3.22Å; A68-V138 PolarHBondContact O-N 3.23Å; A68-N571 HydrophobicContact CB-CB 3.55Å; A68-I613 HydrophobicContact CB-CD1 4.18Å; A68-I613 HydrophobicContact CB-CG1 4.31Å; A68-I613 HydrophobicContact CB-CG2 4.06Å |
| 69 | V | 97.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 110.4 | 171.9 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | L64 V67 F118 L135 I613 L614 L620 | L64-V69 HydrophobicContact CD1-CG2 3.32Å; V67-V69 HydrophobicContact CG2-CG2 4.2Å; V69-F118 HydrophobicContact CB-CE1 4.26Å; V69-F118 HydrophobicContact CG2-CD1 4.02Å; V69-F118 HydrophobicContact CG2-CE1 3.51Å; V69-F118 HydrophobicContact CG2-CZ 3.88Å; V69-L135 HydrophobicContact CG1-CD2 4.12Å; V69-I613 VanDerWaalsContact O-CA 3.28Å; V69-I613 WeakPolarHBondContact O-CA 3.5Å; V69-L614 HydrophobicContact CB-CB 4.4Å; V69-L614 HydrophobicContact CB-CD1 3.99Å; V69-L614 HydrophobicContact CB-CG 4.32Å; V69-L614 HydrophobicContact CG1-CD1 3.92Å; V69-L614 HydrophobicContact CG1-CG 4.45Å; V69-L614 PolarHBondContact O-N 2.64Å; V69-L620 HydrophobicContact CG1-CD1 4.4Å |
| 70 | Y | 96 | Very high | 89.7 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -6.1 | -169.2 | 68.5 | -98.5 | 0 | 0 | 0 | 114.3 | D41 A68 R136 V138 N562 R567 N612 | D41-Y70 PolarHBondContact OD1-OH 3.18Å; A68-Y70 WeakPolarHBondContact O-CD1 3.3Å; A68-Y70 PolarHBondContact O-N 2.81Å; Y70-R136 HydrophobicContact CD2-CB 4.39Å; Y70-R136 HydrophobicContact CE1-CB 3.91Å; Y70-R136 HydrophobicContact CE2-CB 3.7Å; Y70-R136 VanDerWaalsContact CZ-CB 3.42Å; Y70-R136 PolarHBondContact N-O 3.43Å; Y70-R136 WeakPolarHBondContact OH-CB 3.37Å; Y70-V138 HydrophobicContact CD1-CB 4.47Å; Y70-V138 HydrophobicContact CD1-CG1 4.1Å; Y70-V138 HydrophobicContact CE1-CB 4.19Å; Y70-V138 HydrophobicContact CE1-CG1 4.29Å; Y70-N562 HydrophobicContact CE2-CB 4.1Å; Y70-R567 HydrophobicContact CD1-CB 4.47Å; Y70-R567 HydrophobicContact CD1-CG 4.29Å; Y70-R567 HydrophobicContact CD2-CG 4.46Å; Y70-R567 HydrophobicContact CG-CG 3.97Å; Y70-N612 CarbonylContact C-O 3.58Å; Y70-N612 VanDerWaalsContact CA-O 3.23Å; Y70-N612 WeakPolarHBondContact CA-O 3.23Å; Y70-N612 PolarHBondContact O-ND2 3.36Å; Y70-N612 VanDerWaalsContact O-O 3.13Å |
| 71 | H | 96.2 | Very high | 90.6 | Very high | 30 Ų | 30 | 33 Ų | 33 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 133.5 | -178.5 | -169.6 | 87.4 | 0 | 0 | 0 | 111 | E73 L135 R136 | H71-E73 IonicContact CD2-OE2 3.93Å; H71-E73 IonicContact CE1-OE2 2.79Å; H71-E73 PolarHBondContact CE1-OE2 3.25Å; H71-E73 VanDerWaalsContact NE2-CD 3.3Å; H71-E73 WeakPolarHBondContact NE2-CG 3.39Å; H71-E73 IonicContact NE2-OE2 2.66Å; H71-E73 PolarHBondContact NE2-OE2 2.95Å; H71-L135 WeakPolarHBondContact O-CA 3.41Å; H71-L135 WeakPolarHBondContact O-CD2 3.42Å; H71-R136 HydrophobicContact CB-CB 3.67Å; H71-R136 HydrophobicContact CB-CG 3.82Å; H71-R136 PolarHBondContact N-O 3.32Å; H71-R136 PolarHBondContact O-N 3.42Å |
| 72 | F | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 127.4 | 172.8 | 172.7 | -130 | 0 | 0 | 0 | 108.7 | S83 I106 A108 M120 I133 V134 L135 L620 | F72-S83 WeakPolarHBondContact CB-OG 3.27Å; F72-S83 VanDerWaalsContact O-CB 3.29Å; F72-S83 WeakPolarHBondContact O-CB 3.36Å; F72-S83 PolarHBondContact O-N 3.16Å; F72-S83 PolarHBondContact O-OG 3.18Å; F72-I106 HydrophobicContact CD1-CB 4.48Å; F72-I106 HydrophobicContact CD1-CD1 3.84Å; F72-I106 HydrophobicContact CD1-CG1 4.16Å; F72-I106 HydrophobicContact CE1-CB 3.52Å; F72-I106 HydrophobicContact CE1-CD1 3.66Å; F72-I106 HydrophobicContact CE1-CG1 3.66Å; F72-I106 HydrophobicContact CG-CD1 4.36Å; F72-I106 HydrophobicContact CZ-CB 3.75Å; F72-I106 HydrophobicContact CZ-CD1 4.04Å; F72-I106 HydrophobicContact CZ-CG1 4.24Å; F72-I106 HydrophobicContact CZ-CG2 4.41Å; F72-A108 HydrophobicContact CD1-CB 3.58Å; F72-A108 HydrophobicContact CE1-CB 3.71Å; F72-A108 HydrophobicContact CG-CB 4.02Å; F72-A108 HydrophobicContact CZ-CB 4.26Å; F72-M120 HydrophobicContact CD2-CE 4.14Å; F72-M120 HydrophobicContact CE2-CE 3.93Å; F72-M120 HydrophobicContact CE2-CG 3.87Å; F72-M120 HydrophobicContact CE2-SD 3.73Å; F72-M120 HydrophobicContact CZ-CB 4.32Å; F72-M120 HydrophobicContact CZ-CG 3.94Å; F72-M120 HydrophobicContact CZ-SD 4.31Å; F72-I133 HydrophobicContact CD2-CG2 3.94Å; F72-I133 HydrophobicContact CE2-CG2 3.49Å; F72-I133 VanDerWaalsContact CE2-CG2 3.49Å; F72-V134 WeakPolarHBondContact CA-O 3.42Å; F72-L135 HydrophobicContact CB-CD2 3.9Å; F72-L135 HydrophobicContact CD2-CD2 3.67Å; F72-L135 HydrophobicContact CD2-CG 4.49Å; F72-L135 HydrophobicContact CG-CD2 4.15Å; F72-L620 HydrophobicContact CB-CB 4.44Å; F72-L620 HydrophobicContact CB-CD1 3.85Å; F72-L620 HydrophobicContact CD1-CB 4.33Å |
| 73 | E | 95.9 | Very high | 92.1 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 156.7 | 177.3 | 63.6 | 179.8 | -140.8 | 0 | 0 | 110.6 | H71 K80 I81 V82 I133 V134 | H71-E73 IonicContact CD2-OE2 3.93Å; H71-E73 IonicContact CE1-OE2 2.79Å; H71-E73 PolarHBondContact CE1-OE2 3.25Å; H71-E73 VanDerWaalsContact NE2-CD 3.3Å; H71-E73 WeakPolarHBondContact NE2-CG 3.39Å; H71-E73 IonicContact NE2-OE2 2.66Å; H71-E73 PolarHBondContact NE2-OE2 2.95Å; E73-K80 VanDerWaalsContact OE1-CE 3.28Å; E73-K80 WeakPolarHBondContact OE1-CE 3.46Å; E73-K80 IonicContact OE1-NZ 3.63Å; E73-K80 PolarHBondContact OE1-NZ 3.45Å; E73-K80 WeakPolarHBondContact OE2-CE 3.49Å; E73-K80 IonicContact OE2-NZ 3.71Å; E73-K80 PolarHBondContact OE2-NZ 3.02Å; E73-I81 CarbonylContact C-O 3.49Å; E73-I81 WeakPolarHBondContact CA-O 3.41Å; E73-I81 WeakPolarHBondContact CB-O 3.27Å; E73-V82 HydrophobicContact CB-CB 4.5Å; E73-V82 HydrophobicContact CB-CG2 4.07Å; E73-I133 CarbonylContact O-C 3.52Å; E73-I133 WeakPolarHBondContact O-CA 3.17Å; E73-V134 HydrophobicContact CG-CB 3.56Å; E73-V134 HydrophobicContact CG-CG1 4.4Å; E73-V134 HydrophobicContact CG-CG2 4.27Å; E73-V134 PolarHBondContact N-O 2.93Å; E73-V134 PolarHBondContact O-N 3.19Å |
| 74 | A | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I76 I81 I106 V131 A132 | A74-I76 HydrophobicContact CB-CD1 3.68Å; A74-I81 HydrophobicContact CB-CD1 4.32Å; A74-I81 HydrophobicContact CB-CG1 4.02Å; A74-I81 PolarHBondContact N-O 3.33Å; A74-I81 WeakPolarHBondContact O-CG1 3.42Å; A74-I81 PolarHBondContact O-N 3.18Å; A74-I106 HydrophobicContact CB-CD1 4.06Å; A74-I106 HydrophobicContact CB-CG2 3.75Å; A74-V131 HydrophobicContact CB-CG1 4.43Å; A74-A132 CarbonylContact C-O 3.56Å; A74-A132 WeakPolarHBondContact CA-O 3.44Å |
| 75 | Q | 93.5 | Very high | 93 | Very high | 61 Ų | 61 | 38 Ų | 38 | 29% | 0.285 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 115.3 | 169.3 | -177.8 | 71.4 | 34.5 | 0 | 0 | 107.9 | G77 D78 N79 V131 A132 | Q75-G77 PolarHBondContact NE2-O 3.01Å; Q75-D78 PolarHBondContact NE2-O 3.26Å; Q75-N79 WeakPolarHBondContact CA-O 3.25Å; Q75-N79 PolarHBondContact NE2-O 3.45Å; Q75-V131 WeakPolarHBondContact O-CA 3.48Å; Q75-A132 HydrophobicContact CB-CB 4.22Å; Q75-A132 PolarHBondContact N-O 3.03Å; Q75-A132 PolarHBondContact O-N 3.34Å |
| 76 | I | 86.6 | Confident | 93.4 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.077 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 109.1 | 177.7 | -53.7 | 92.4 | 0 | 0 | 0 | 107.9 | A74 D78 N79 I81 T104 P126 V131 | A74-I76 HydrophobicContact CB-CD1 3.68Å; I76-D78 PolarHBondContact O-N 3.16Å; I76-N79 PolarHBondContact N-O 2.71Å; I76-N79 PolarHBondContact O-N 3.32Å; I76-N79 VanDerWaalsContact O-N 3.12Å; I76-I81 HydrophobicContact CD1-CD1 3.93Å; I76-I81 HydrophobicContact CD1-CG1 4.13Å; I76-T104 HydrophobicContact CD1-CG2 3.67Å; I76-T104 HydrophobicContact CG1-CG2 4.07Å; I76-P126 HydrophobicContact CG2-CG 3.76Å; I76-V131 HydrophobicContact CG1-CG1 4.22Å; I76-V131 HydrophobicContact CG1-CG2 4.01Å; I76-V131 HydrophobicContact CG2-CG2 4.45Å |
| 77 | G | 81 | Confident | 94 | Very high | 56 Ų | 56 | 40.4 Ų | 40.4 | 58% | 0.577 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | -123.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q75 | Q75-G77 PolarHBondContact NE2-O 3.01Š|
| 78 | D | 82.3 | Confident | 94.1 | Very high | 161 Ų | 161 | 40 Ų | 40 | 86% | 0.861 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -13.2 | 177.8 | -65.1 | -33.4 | 0 | 0 | 0 | 113.4 | Q75 I76 | Q75-D78 PolarHBondContact NE2-O 3.26Å; I76-D78 PolarHBondContact O-N 3.16Å |
| 79 | N | 88.6 | Confident | 94 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 35% | 0.353 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 131 | -175.8 | -69.3 | -12.4 | 0 | 0 | 0 | 111.8 | Q75 I76 D624 T626 | Q75-N79 WeakPolarHBondContact CA-O 3.25Å; Q75-N79 PolarHBondContact NE2-O 3.45Å; I76-N79 PolarHBondContact N-O 2.71Å; I76-N79 PolarHBondContact O-N 3.32Å; I76-N79 VanDerWaalsContact O-N 3.12Å; N79-D624 WeakPolarHBondContact CB-OD2 3.41Å; N79-D624 PolarHBondContact ND2-OD2 3.4Å; N79-T626 PolarHBondContact ND2-OG1 3.3Å |
| 80 | K | 94.2 | Very high | 94.1 | Very high | 111 Ų | 111 | 47 Ų | 47 | 48% | 0.483 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.6 | 173.5 | -170.1 | 171.4 | 167.7 | 157.7 | 0 | 110.1 | E73 V82 | E73-K80 VanDerWaalsContact OE1-CE 3.28Å; E73-K80 WeakPolarHBondContact OE1-CE 3.46Å; E73-K80 IonicContact OE1-NZ 3.63Å; E73-K80 PolarHBondContact OE1-NZ 3.45Å; E73-K80 WeakPolarHBondContact OE2-CE 3.49Å; E73-K80 IonicContact OE2-NZ 3.71Å; E73-K80 PolarHBondContact OE2-NZ 3.02Å; K80-V82 HydrophobicContact CG-CG2 4.4Å |
| 81 | I | 94.7 | Very high | 94.2 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.1 | 173.4 | 54.1 | 176.3 | 0 | 0 | 0 | 110.3 | E73 A74 I76 T104 I106 A622 D624 | E73-I81 CarbonylContact C-O 3.49Å; E73-I81 WeakPolarHBondContact CA-O 3.41Å; E73-I81 WeakPolarHBondContact CB-O 3.27Å; A74-I81 HydrophobicContact CB-CD1 4.32Å; A74-I81 HydrophobicContact CB-CG1 4.02Å; A74-I81 PolarHBondContact N-O 3.33Å; A74-I81 WeakPolarHBondContact O-CG1 3.42Å; A74-I81 PolarHBondContact O-N 3.18Å; I76-I81 HydrophobicContact CD1-CD1 3.93Å; I76-I81 HydrophobicContact CD1-CG1 4.13Å; I81-T104 HydrophobicContact CD1-CG2 4.16Å; I81-I106 HydrophobicContact CD1-CB 4.47Å; I81-I106 HydrophobicContact CD1-CD1 4.2Å; I81-I106 HydrophobicContact CD1-CG1 4.05Å; I81-I106 HydrophobicContact CD1-CG2 3.81Å; I81-I106 HydrophobicContact CG1-CD1 4.08Å; I81-I106 HydrophobicContact CG1-CG1 4.44Å; I81-A622 HydrophobicContact CB-CB 4.16Å; I81-D624 HydrophobicContact CG2-CB 3.74Å |
| 82 | V | 96.6 | Very high | 94.1 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.4 | -177.7 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | E73 K80 A622 | E73-V82 HydrophobicContact CB-CB 4.5Å; E73-V82 HydrophobicContact CB-CG2 4.07Å; K80-V82 HydrophobicContact CG-CG2 4.4Å; V82-A622 WeakPolarHBondContact O-CB 3.36Å |
| 83 | S | 97.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | trans | -73.5 | 152.6 | -175.5 | 70.8 | 0 | 0 | 0 | 0 | 113.4 | F72 V621 | F72-S83 WeakPolarHBondContact CB-OG 3.27Å; F72-S83 VanDerWaalsContact O-CB 3.29Å; F72-S83 WeakPolarHBondContact O-CB 3.36Å; F72-S83 PolarHBondContact O-N 3.16Å; F72-S83 PolarHBondContact O-OG 3.18Å; S83-V621 CarbonylContact C-O 3.52Å; S83-V621 VanDerWaalsContact CA-O 3.29Å; S83-V621 WeakPolarHBondContact CA-O 3.46Å | ||
| 84 | V | 97.7 | Very high | 94.2 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.5 | 166.3 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | R86 N612 V621 | V84-R86 HydrophobicContact CG2-CG 4.43Å; V84-N612 WeakPolarHBondContact CA-OD1 3.48Å; V84-V621 PolarHBondContact N-O 2.81Å; V84-V621 PolarHBondContact O-N 3.38Å |
| 85 | C | 98 | Very high | 94.3 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 133 | 177.3 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | N612 I613 T618 S619 L620 | C85-N612 PolarHBondContact N-OD1 2.82Å; C85-I613 PolarHBondContact SG-O 3.49Å; C85-T618 VanDerWaalsContact SG-CB 3.56Å; C85-S619 WeakPolarHBondContact CA-O 3.35Å; C85-L620 HydrophobicContact CB-CD2 3.77Å |
| 86 | R | 98.5 | Very high | 94.4 | Very high | 107 Ų | 107 | 56 Ų | 56 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 159.1 | 177.3 | -65 | -63.5 | -178.1 | 137.8 | -5.8 | 110.3 | V84 R88 E90 A91 T618 S619 V621 | V84-R86 HydrophobicContact CG2-CG 4.43Å; R86-R88 PolarHBondContact O-N 2.93Å; R86-E90 WeakPolarHBondContact CD-OE1 3.23Å; R86-E90 IonicContact CZ-OE1 3.53Å; R86-E90 IonicContact NE-OE1 3.89Å; R86-E90 IonicContact NH1-OE1 3.04Å; R86-E90 PolarHBondContact NH1-OE1 3.21Å; R86-A91 HydrophobicContact CB-CB 4.06Å; R86-T618 CarbonylContact O-C 3.35Å; R86-T618 VanDerWaalsContact O-CA 3.24Å; R86-T618 WeakPolarHBondContact O-CA 3.36Å; R86-T618 VanDerWaalsContact O-CB 3.26Å; R86-T618 WeakPolarHBondContact O-CB 3.49Å; R86-S619 PolarHBondContact N-O 2.87Å; R86-S619 PolarHBondContact O-N 3.25Å; R86-V621 HydrophobicContact CB-CG1 4.5Å; R86-V621 HydrophobicContact CG-CG1 4.09Å |
| 87 | P | 98.3 | Very high | 94.7 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 24% | 0.24 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.8 | 137.7 | 164.7 | -25.9 | 34.9 | 0 | 0 | 0 | 110.6 | A89 E90 A91 | P87-A89 VanDerWaalsContact C-N 3.31Å; P87-A89 PolarHBondContact O-N 3.02Å; P87-E90 HydrophobicContact CB-CB 4.42Å; P87-E90 WeakPolarHBondContact CD-OE2 3.48Å; P87-E90 WeakPolarHBondContact O-CB 3.38Å; P87-E90 PolarHBondContact O-N 2.69Å; P87-A91 PolarHBondContact O-N 2.98Å |
| 88 | R | 96.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.3 | -40.6 | -166.8 | -177.3 | 158.7 | -173.7 | 173.1 | 3.9 | 113.7 | R86 A91 K92 E109 Q110 F181 K616 F617 S619 | R86-R88 PolarHBondContact O-N 2.93Å; R88-A91 PolarHBondContact O-N 3.48Å; R88-K92 WeakPolarHBondContact O-CB 3.36Å; R88-K92 PolarHBondContact O-N 3.24Å; R88-E109 IonicContact CZ-OE1 2.88Å; R88-E109 IonicContact NE-OE1 2.88Å; R88-E109 PolarHBondContact NE-OE1 3.2Å; R88-E109 IonicContact NH2-OE1 2.59Å; R88-E109 PolarHBondContact NH2-OE1 3.47Å; R88-Q110 PolarHBondContact NH1-O 3.38Å; R88-Q110 PolarHBondContact NH2-O 2.97Å; R88-F181 HydrophobicContact CB-CD1 4.31Å; R88-F181 HydrophobicContact CB-CE1 3.66Å; R88-F181 HydrophobicContact CB-CZ 3.84Å; R88-F181 VanDerWaalsContact CD-CD1 3.49Å; R88-F181 HydrophobicContact CG-CD1 3.67Å; R88-F181 HydrophobicContact CG-CE1 3.55Å; R88-F181 HydrophobicContact CG-CG 4.25Å; R88-F181 HydrophobicContact CG-CZ 4.04Å; R88-K616 PolarHBondContact NH1-O 2.89Å; R88-F617 WeakPolarHBondContact CB-O 3.39Å; R88-F617 PolarHBondContact N-O 3.29Å; R88-S619 WeakPolarHBondContact CG-OG 3.44Å |
| 89 | A | 95.3 | Very high | 95.7 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 60% | 0.595 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P87 K92 E93 | P87-A89 VanDerWaalsContact C-N 3.31Å; P87-A89 PolarHBondContact O-N 3.02Å; A89-K92 PolarHBondContact O-N 2.94Å; A89-E93 WeakPolarHBondContact O-CB 3.4Å; A89-E93 PolarHBondContact O-N 3.14Å |
| 90 | E | 97.7 | Very high | 95.7 | Very high | 76 Ų | 76 | 49.4 Ų | 49.4 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.1 | -177.9 | -170.9 | 156.2 | 0 | 0 | 111.3 | R86 P87 K92 T94 | R86-E90 WeakPolarHBondContact CD-OE1 3.23Å; R86-E90 IonicContact CZ-OE1 3.53Å; R86-E90 IonicContact NE-OE1 3.89Å; R86-E90 IonicContact NH1-OE1 3.04Å; R86-E90 PolarHBondContact NH1-OE1 3.21Å; P87-E90 HydrophobicContact CB-CB 4.42Å; P87-E90 WeakPolarHBondContact CD-OE2 3.48Å; P87-E90 WeakPolarHBondContact O-CB 3.38Å; P87-E90 PolarHBondContact O-N 2.69Å; E90-K92 VanDerWaalsContact C-N 3.35Å; E90-K92 PolarHBondContact O-N 2.71Å; E90-T94 WeakPolarHBondContact O-CB 3.49Å; E90-T94 PolarHBondContact O-N 3.31Å; E90-T94 PolarHBondContact O-OG1 3.48Å |
| 91 | A | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R86 P87 R88 T94 Y95 L107 V621 | R86-A91 HydrophobicContact CB-CB 4.06Å; P87-A91 PolarHBondContact O-N 2.98Å; R88-A91 PolarHBondContact O-N 3.48Å; A91-T94 PolarHBondContact O-N 3.22Å; A91-Y95 WeakPolarHBondContact O-CB 3.33Å; A91-Y95 PolarHBondContact O-N 3.18Å; A91-L107 HydrophobicContact CB-CD1 4.01Å; A91-V621 HydrophobicContact CB-CB 4.11Å; A91-V621 HydrophobicContact CB-CG1 3.98Å |
| 92 | K | 95.7 | Very high | 95.3 | Very high | 64 Ų | 64 | 49.6 Ų | 49.6 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 179.5 | -177.2 | 55.4 | 174.4 | 153.9 | 0 | 111.6 | R88 A89 E90 T94 Y95 D96 L107 | R88-K92 WeakPolarHBondContact O-CB 3.36Å; R88-K92 PolarHBondContact O-N 3.24Å; A89-K92 PolarHBondContact O-N 2.94Å; E90-K92 VanDerWaalsContact C-N 3.35Å; E90-K92 PolarHBondContact O-N 2.71Å; K92-T94 VanDerWaalsContact C-N 3.33Å; K92-T94 PolarHBondContact O-N 3.44Å; K92-Y95 PolarHBondContact O-N 2.97Å; K92-D96 WeakPolarHBondContact CE-OD1 3.44Å; K92-D96 WeakPolarHBondContact CE-OD2 3.44Å; K92-D96 IonicContact NZ-OD1 3.02Å; K92-D96 PolarHBondContact NZ-OD1 3.29Å; K92-D96 IonicContact NZ-OD2 3.23Å; K92-D96 PolarHBondContact NZ-OD2 2.93Å; K92-D96 WeakPolarHBondContact O-CB 3.38Å; K92-D96 VanDerWaalsContact O-CG 3.28Å; K92-D96 PolarHBondContact O-N 2.92Å; K92-L107 HydrophobicContact CD-CD2 3.9Å |
| 93 | E | 96.9 | Very high | 95.1 | Very high | 134 Ų | 134 | 47.5 Ų | 47.5 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.1 | -42.8 | 175.4 | -177.4 | 177.2 | -169.3 | 0 | 0 | 111.9 | A89 D96 S97 | A89-E93 WeakPolarHBondContact O-CB 3.4Å; A89-E93 PolarHBondContact O-N 3.14Å; E93-D96 PolarHBondContact O-N 2.95Å; E93-S97 VanDerWaalsContact O-CB 3.26Å; E93-S97 WeakPolarHBondContact O-CB 3.42Å; E93-S97 PolarHBondContact O-N 3.07Å; E93-S97 PolarHBondContact O-OG 2.69Å |
| 94 | T | 97.7 | Very high | 94.8 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 34% | 0.344 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.6 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | E90 A91 K92 A98 V621 V623 | E90-T94 WeakPolarHBondContact O-CB 3.49Å; E90-T94 PolarHBondContact O-N 3.31Å; E90-T94 PolarHBondContact O-OG1 3.48Å; A91-T94 PolarHBondContact O-N 3.22Å; K92-T94 VanDerWaalsContact C-N 3.33Å; K92-T94 PolarHBondContact O-N 3.44Å; T94-A98 VanDerWaalsContact O-CB 3.28Å; T94-A98 WeakPolarHBondContact O-CB 3.4Å; T94-A98 PolarHBondContact O-N 2.73Å; T94-A98 VanDerWaalsContact O-N 3.11Å; T94-V621 HydrophobicContact CG2-CG2 4.07Å; T94-V623 HydrophobicContact CG2-CG2 3.96Å |
| 95 | Y | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -52.8 | 177.7 | 173.4 | -89.3 | 0 | 0 | 0 | 111.2 | E57 A91 K92 S97 A98 V99 A105 L107 N121 G123 | E57-Y95 WeakPolarHBondContact CG-OH 3.39Å; E57-Y95 VanDerWaalsContact OE1-CE1 3.27Å; E57-Y95 WeakPolarHBondContact OE1-CE1 3.41Å; E57-Y95 PolarHBondContact OE1-OH 3.36Å; A91-Y95 WeakPolarHBondContact O-CB 3.33Å; A91-Y95 PolarHBondContact O-N 3.18Å; K92-Y95 PolarHBondContact O-N 2.97Å; Y95-S97 PolarHBondContact O-N 3.44Å; Y95-A98 PolarHBondContact O-N 3.04Å; Y95-V99 HydrophobicContact CD1-CG2 4.33Å; Y95-V99 HydrophobicContact CD2-CG2 4.46Å; Y95-V99 HydrophobicContact CE1-CG2 3.95Å; Y95-V99 HydrophobicContact CE2-CG2 4.12Å; Y95-V99 WeakPolarHBondContact O-CG2 3.42Å; Y95-V99 PolarHBondContact O-N 3.48Å; Y95-A105 HydrophobicContact CD2-CB 3.65Å; Y95-A105 HydrophobicContact CE2-CB 4.01Å; Y95-A105 WeakPolarHBondContact CE2-O 3.2Å; Y95-A105 HydrophobicContact CG-CB 4.44Å; Y95-L107 HydrophobicContact CD1-CD2 4.37Å; Y95-L107 HydrophobicContact CD2-CB 3.55Å; Y95-L107 HydrophobicContact CE2-CB 4.02Å; Y95-L107 HydrophobicContact CG-CB 3.86Å; Y95-L107 HydrophobicContact CG-CD2 4.22Å; Y95-N121 HydrophobicContact CE1-CB 4.3Å; Y95-N121 HydrophobicContact CE2-CB 4.06Å; Y95-N121 WeakPolarHBondContact OH-CB 3.22Å; Y95-G123 PolarHBondContact OH-N 3.31Å |
| 96 | D | 94 | Very high | 94.4 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.8 | -48.1 | -176.6 | -69 | -21 | 0 | 0 | 0 | 110.4 | K92 E93 A98 V99 E100 | K92-D96 WeakPolarHBondContact CE-OD1 3.44Å; K92-D96 WeakPolarHBondContact CE-OD2 3.44Å; K92-D96 IonicContact NZ-OD1 3.02Å; K92-D96 PolarHBondContact NZ-OD1 3.29Å; K92-D96 IonicContact NZ-OD2 3.23Å; K92-D96 PolarHBondContact NZ-OD2 2.93Å; K92-D96 WeakPolarHBondContact O-CB 3.38Å; K92-D96 VanDerWaalsContact O-CG 3.28Å; K92-D96 PolarHBondContact O-N 2.92Å; E93-D96 PolarHBondContact O-N 2.95Å; D96-A98 VanDerWaalsContact C-N 3.34Å; D96-A98 PolarHBondContact O-N 3.36Å; D96-V99 PolarHBondContact O-N 2.9Å; D96-E100 WeakPolarHBondContact O-CB 3.47Å; D96-E100 WeakPolarHBondContact O-CG 3.27Å; D96-E100 PolarHBondContact O-N 3Å |
| 97 | S | 94.6 | Very high | 94.3 | Very high | 48 Ų | 48 | 38.6 Ų | 38.6 | 34% | 0.336 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59 | -43 | 177.6 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | E93 Y95 E100 E101 | E93-S97 VanDerWaalsContact O-CB 3.26Å; E93-S97 WeakPolarHBondContact O-CB 3.42Å; E93-S97 PolarHBondContact O-N 3.07Å; E93-S97 PolarHBondContact O-OG 2.69Å; Y95-S97 PolarHBondContact O-N 3.44Å; S97-E100 WeakPolarHBondContact O-CB 3.28Å; S97-E100 PolarHBondContact O-N 3.44Å; S97-E101 WeakPolarHBondContact O-CB 3.43Å; S97-E101 VanDerWaalsContact O-CG 3.32Å; S97-E101 WeakPolarHBondContact O-CG 3.17Å; S97-E101 PolarHBondContact O-N 2.99Å |
| 98 | A | 93.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 37 Ų | 37 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T94 Y95 D96 E100 E101 G102 H103 A105 V623 | T94-A98 VanDerWaalsContact O-CB 3.28Å; T94-A98 WeakPolarHBondContact O-CB 3.4Å; T94-A98 PolarHBondContact O-N 2.73Å; T94-A98 VanDerWaalsContact O-N 3.11Å; Y95-A98 PolarHBondContact O-N 3.04Å; D96-A98 VanDerWaalsContact C-N 3.34Å; D96-A98 PolarHBondContact O-N 3.36Å; A98-E100 VanDerWaalsContact C-N 3.32Å; A98-E100 PolarHBondContact O-N 3.29Å; A98-E101 PolarHBondContact O-N 3.48Å; A98-G102 PolarHBondContact O-N 3.34Å; A98-H103 HydrophobicContact CB-CB 4.18Å; A98-H103 VanDerWaalsContact O-CB 3.32Å; A98-H103 WeakPolarHBondContact O-CB 2.95Å; A98-H103 PolarHBondContact O-N 3.48Å; A98-A105 HydrophobicContact CB-CB 3.89Å; A98-V623 HydrophobicContact CB-CB 4.19Å; A98-V623 HydrophobicContact CB-CG1 3.56Å; A98-V623 HydrophobicContact CB-CG2 3.51Å |
| 99 | V | 90.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 37.3 Ų | 37.3 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.6 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | Y95 D96 E101 G102 A105 N124 | Y95-V99 HydrophobicContact CD1-CG2 4.33Å; Y95-V99 HydrophobicContact CD2-CG2 4.46Å; Y95-V99 HydrophobicContact CE1-CG2 3.95Å; Y95-V99 HydrophobicContact CE2-CG2 4.12Å; Y95-V99 WeakPolarHBondContact O-CG2 3.42Å; Y95-V99 PolarHBondContact O-N 3.48Å; D96-V99 PolarHBondContact O-N 2.9Å; V99-E101 VanDerWaalsContact C-N 3.32Å; V99-E101 PolarHBondContact O-N 2.87Å; V99-G102 PolarHBondContact O-N 3.26Å; V99-G102 VanDerWaalsContact O-N 3.15Å; V99-A105 HydrophobicContact CG2-CB 4.01Å; V99-N124 PolarHBondContact O-ND2 3.38Å |
| 100 | E | 89 | Confident | 94.1 | Very high | 89 Ų | 89 | 34.8 Ų | 34.8 | 42% | 0.416 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.6 | -38.5 | 176.2 | -70.9 | 179.7 | -161.3 | 0 | 0 | 113.5 | D96 S97 A98 G102 R635 | D96-E100 WeakPolarHBondContact O-CB 3.47Å; D96-E100 WeakPolarHBondContact O-CG 3.27Å; D96-E100 PolarHBondContact O-N 3Å; S97-E100 WeakPolarHBondContact O-CB 3.28Å; S97-E100 PolarHBondContact O-N 3.44Å; A98-E100 VanDerWaalsContact C-N 3.32Å; A98-E100 PolarHBondContact O-N 3.29Å; E100-G102 PolarHBondContact O-N 3.09Å; E100-R635 IonicContact OE1-CZ 3.46Å; E100-R635 IonicContact OE1-NH1 2.76Å; E100-R635 PolarHBondContact OE1-NH1 2.81Å; E100-R635 IonicContact OE1-NH2 3.31Å; E100-R635 PolarHBondContact OE1-NH2 2.86Å; E100-R635 IonicContact OE2-CZ 2.82Å; E100-R635 IonicContact OE2-NH2 3.68Å; E100-R635 PolarHBondContact OE2-NH2 2.6Å |
| 101 | E | 91 | Very high | 93.7 | Very high | 115 Ų | 115 | 31.3 Ų | 31.3 | 54% | 0.537 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -4.1 | 179.5 | -73.6 | 179.3 | 179.8 | 0 | 0 | 113.4 | S97 A98 V99 H103 K627 | S97-E101 WeakPolarHBondContact O-CB 3.43Å; S97-E101 VanDerWaalsContact O-CG 3.32Å; S97-E101 WeakPolarHBondContact O-CG 3.17Å; S97-E101 PolarHBondContact O-N 2.99Å; A98-E101 PolarHBondContact O-N 3.48Å; V99-E101 VanDerWaalsContact C-N 3.32Å; V99-E101 PolarHBondContact O-N 2.87Å; E101-H103 IonicContact OE2-CD2 2.84Å; E101-K627 WeakPolarHBondContact O-CE 3.35Å; E101-K627 PolarHBondContact O-NZ 3.47Å |
| 102 | G | 89 | Confident | 93.4 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 8% | 0.082 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88 | 20.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A98 V99 E100 L628 | A98-G102 PolarHBondContact O-N 3.34Å; V99-G102 PolarHBondContact O-N 3.26Å; V99-G102 VanDerWaalsContact O-N 3.15Å; E100-G102 PolarHBondContact O-N 3.09Å; G102-L628 WeakPolarHBondContact O-CB 3.4Å; G102-L628 PolarHBondContact O-N 2.87Å |
| 103 | H | 91.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 30 Ų | 30 | 13% | 0.134 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 149.7 | 174 | -66.3 | -75.1 | 0 | 0 | 0 | 111.4 | A98 E101 N124 V623 D624 P625 T626 | A98-H103 HydrophobicContact CB-CB 4.18Å; A98-H103 VanDerWaalsContact O-CB 3.32Å; A98-H103 WeakPolarHBondContact O-CB 2.95Å; A98-H103 PolarHBondContact O-N 3.48Å; E101-H103 IonicContact OE2-CD2 2.84Å; H103-N124 PolarHBondContact O-ND2 2.93Å; H103-V623 HydrophobicContact CB-CG1 3.87Å; H103-D624 PolarHBondContact ND1-O 2.87Å; H103-P625 PolarHBondContact CE1-O 2.92Å; H103-P625 VanDerWaalsContact CE1-O 3.22Å; H103-P625 PolarHBondContact ND1-O 2.76Å; H103-T626 PolarHBondContact ND1-O 2.99Å; H103-T626 VanDerWaalsContact ND1-O 3.15Å |
| 104 | T | 91.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 130.3 | 163.9 | -59.6 | 0 | 0 | 0 | 0 | 108.6 | I76 I81 G123 N124 D624 L628 | I76-T104 HydrophobicContact CD1-CG2 3.67Å; I76-T104 HydrophobicContact CG1-CG2 4.07Å; I81-T104 HydrophobicContact CD1-CG2 4.16Å; T104-G123 WeakPolarHBondContact CA-O 3.43Å; T104-G123 WeakPolarHBondContact CG2-O 3.36Å; T104-N124 PolarHBondContact OG1-O 2.99Å; T104-D624 PolarHBondContact O-N 3.17Å; T104-L628 WeakPolarHBondContact OG1-CD1 3.18Å |
| 105 | A | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y95 A98 V99 I122 G123 A622 V623 | Y95-A105 HydrophobicContact CD2-CB 3.65Å; Y95-A105 HydrophobicContact CE2-CB 4.01Å; Y95-A105 WeakPolarHBondContact CE2-O 3.2Å; Y95-A105 HydrophobicContact CG-CB 4.44Å; A98-A105 HydrophobicContact CB-CB 3.89Å; V99-A105 HydrophobicContact CG2-CB 4.01Å; A105-I122 CarbonylContact O-C 3.37Å; A105-I122 WeakPolarHBondContact O-CA 3.49Å; A105-G123 PolarHBondContact N-O 2.75Å; A105-G123 PolarHBondContact O-N 2.87Å; A105-A622 CarbonylContact C-O 3.53Å; A105-A622 VanDerWaalsContact CA-O 3.28Å; A105-A622 WeakPolarHBondContact CA-O 3.42Å; A105-V623 HydrophobicContact CB-CG2 4.16Å |
| 106 | I | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.8 | 174.7 | 62.5 | 176 | 0 | 0 | 0 | 110.3 | F72 A74 I81 N121 I122 V621 A622 | F72-I106 HydrophobicContact CD1-CB 4.48Å; F72-I106 HydrophobicContact CD1-CD1 3.84Å; F72-I106 HydrophobicContact CD1-CG1 4.16Å; F72-I106 HydrophobicContact CE1-CB 3.52Å; F72-I106 HydrophobicContact CE1-CD1 3.66Å; F72-I106 HydrophobicContact CE1-CG1 3.66Å; F72-I106 HydrophobicContact CG-CD1 4.36Å; F72-I106 HydrophobicContact CZ-CB 3.75Å; F72-I106 HydrophobicContact CZ-CD1 4.04Å; F72-I106 HydrophobicContact CZ-CG1 4.24Å; F72-I106 HydrophobicContact CZ-CG2 4.41Å; A74-I106 HydrophobicContact CB-CD1 4.06Å; A74-I106 HydrophobicContact CB-CG2 3.75Å; I81-I106 HydrophobicContact CD1-CB 4.47Å; I81-I106 HydrophobicContact CD1-CD1 4.2Å; I81-I106 HydrophobicContact CD1-CG1 4.05Å; I81-I106 HydrophobicContact CD1-CG2 3.81Å; I81-I106 HydrophobicContact CG1-CD1 4.08Å; I81-I106 HydrophobicContact CG1-CG1 4.44Å; I106-N121 WeakPolarHBondContact CA-O 3.39Å; I106-I122 HydrophobicContact CG2-CB 4.4Å; I106-I122 HydrophobicContact CG2-CG1 4.04Å; I106-I122 HydrophobicContact CG2-CG2 4.04Å; I106-V621 VanDerWaalsContact O-CA 3.31Å; I106-V621 WeakPolarHBondContact O-CA 3.18Å; I106-A622 HydrophobicContact CD1-CB 3.88Å; I106-A622 HydrophobicContact CG1-CB 3.54Å; I106-A622 PolarHBondContact N-O 3.27Å; I106-A622 PolarHBondContact O-N 3.31Å |
| 107 | L | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 131.8 | 177 | 179.4 | 67 | 0 | 0 | 0 | 108.9 | A91 K92 Y95 E109 M120 N121 L620 V621 | A91-L107 HydrophobicContact CB-CD1 4.01Å; K92-L107 HydrophobicContact CD-CD2 3.9Å; Y95-L107 HydrophobicContact CD1-CD2 4.37Å; Y95-L107 HydrophobicContact CD2-CB 3.55Å; Y95-L107 HydrophobicContact CE2-CB 4.02Å; Y95-L107 HydrophobicContact CG-CB 3.86Å; Y95-L107 HydrophobicContact CG-CD2 4.22Å; L107-E109 HydrophobicContact CD1-CG 4.39Å; L107-E109 HydrophobicContact CD2-CG 4.15Å; L107-E109 HydrophobicContact CG-CG 3.97Å; L107-M120 CarbonylContact O-C 3.51Å; L107-M120 VanDerWaalsContact O-CA 3.26Å; L107-M120 WeakPolarHBondContact O-CA 3.48Å; L107-N121 HydrophobicContact CB-CB 4.35Å; L107-N121 PolarHBondContact N-O 3.43Å; L107-N121 PolarHBondContact O-N 2.78Å; L107-L620 CarbonylContact C-O 3.53Å; L107-L620 VanDerWaalsContact CA-O 3.3Å; L107-L620 WeakPolarHBondContact CA-O 3.13Å; L107-V621 HydrophobicContact CD1-CB 4.14Å; L107-V621 HydrophobicContact CD1-CG2 4.47Å |
| 108 | A | 95.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 3% | 0.025 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F72 K119 M120 L614 S619 L620 | F72-A108 HydrophobicContact CD1-CB 3.58Å; F72-A108 HydrophobicContact CE1-CB 3.71Å; F72-A108 HydrophobicContact CG-CB 4.02Å; F72-A108 HydrophobicContact CZ-CB 4.26Å; A108-K119 CarbonylContact C-O 3.59Å; A108-K119 VanDerWaalsContact CA-O 3.29Å; A108-K119 WeakPolarHBondContact CA-O 3.22Å; A108-M120 HydrophobicContact CB-CG 4.27Å; A108-L614 HydrophobicContact CB-CD1 4.19Å; A108-L614 WeakPolarHBondContact O-CD2 3.3Å; A108-S619 WeakPolarHBondContact O-CA 3.37Å; A108-S619 WeakPolarHBondContact O-CB 2.6Å; A108-L620 HydrophobicContact CB-CB 4.24Å; A108-L620 PolarHBondContact N-O 2.87Å; A108-L620 PolarHBondContact O-N 3.27Å |
| 109 | E | 95.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 19.3 Ų | 19.3 | 6% | 0.056 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149.1 | -173.7 | -55.1 | -178.2 | 85.2 | 0 | 0 | 109.9 | R88 L107 F118 K119 F184 | R88-E109 IonicContact CZ-OE1 2.88Å; R88-E109 IonicContact NE-OE1 2.88Å; R88-E109 PolarHBondContact NE-OE1 3.2Å; R88-E109 IonicContact NH2-OE1 2.59Å; R88-E109 PolarHBondContact NH2-OE1 3.47Å; L107-E109 HydrophobicContact CD1-CG 4.39Å; L107-E109 HydrophobicContact CD2-CG 4.15Å; L107-E109 HydrophobicContact CG-CG 3.97Å; E109-F118 CarbonylContact O-C 3.45Å; E109-F118 VanDerWaalsContact O-CA 3.28Å; E109-F118 WeakPolarHBondContact O-CA 3.49Å; E109-K119 PolarHBondContact N-O 3.24Å; E109-K119 PolarHBondContact O-N 2.95Å; E109-K119 WeakPolarHBondContact OE2-CE 3.05Å; E109-K119 IonicContact OE2-NZ 3.35Å; E109-K119 PolarHBondContact OE2-NZ 2.96Å; E109-F184 HydrophobicContact CB-CE1 4.4Å; E109-F184 HydrophobicContact CB-CZ 4.05Å |
| 110 | Q | 93.9 | Very high | 91.4 | Very high | 18 Ų | 18 | 18.4 Ų | 18.4 | 8% | 0.084 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 143.4 | 165 | -175.1 | 177 | 46.2 | 0 | 0 | 108.5 | R88 A115 F118 | R88-Q110 PolarHBondContact NH1-O 3.38Å; R88-Q110 PolarHBondContact NH2-O 2.97Å; Q110-A115 PolarHBondContact NE2-O 3.08Å; Q110-F118 HydrophobicContact CB-CD1 4.19Å; Q110-F118 HydrophobicContact CB-CE1 3.95Å; Q110-F118 HydrophobicContact CG-CD1 4.46Å; Q110-F118 HydrophobicContact CG-CE1 3.99Å; Q110-F118 HydrophobicContact CG-CZ 4.08Å |
| 111 | D | 91.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.016 | 8% | 0.076 | C | C | . | . | trans | -59.3 | 145.4 | 176.6 | -174.8 | -96.4 | 0 | 0 | 0 | 110.3 | H113 C114 L117 F184 | D111-H113 VanDerWaalsContact C-N 3.29Å; D111-H113 PolarHBondContact O-N 3.27Å; D111-H113 PolarHBondContact OD1-N 3.37Å; D111-C114 HydrophobicContact CB-CB 4.17Å; D111-C114 WeakPolarHBondContact CB-O 3.35Å; D111-C114 WeakPolarHBondContact OD1-CB 3.49Å; D111-C114 PolarHBondContact OD1-N 3.08Å; D111-L117 HydrophobicContact CB-CB 3.92Å; D111-L117 PolarHBondContact N-O 3.44Å; D111-F184 VanDerWaalsContact CA-CE2 3.45Å; D111-F184 HydrophobicContact CB-CD2 3.61Å; D111-F184 HydrophobicContact CB-CE2 3.49Å; D111-F184 VanDerWaalsContact CB-CE2 3.49Å; D111-F184 HydrophobicContact CB-CG 4.29Å; D111-F184 HydrophobicContact CB-CZ 4.07Å; D111-F184 VanDerWaalsContact N-CE2 3.27Å; D111-F184 WeakPolarHBondContact OD2-CG 3.2Å; D111-F184 PolarHBondContact OD2-N 3.09Å | ||
| 112 | E | 91.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 9 Ų | 9 | 6% | 0.061 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -62.6 | -38.4 | -176.8 | -173.8 | 178.6 | 166.4 | 0 | 0 | 112.1 | E180 F181 D408 K616 | E112-E180 PolarHBondContact OE1-N 3.47Å; E112-E180 VanDerWaalsContact OE1-N 3.09Å; E112-E180 PolarHBondContact OE2-N 3.39Å; E112-F181 HydrophobicContact CB-CD2 4.42Å; E112-F181 HydrophobicContact CG-CD2 4.06Å; E112-F181 PolarHBondContact OE2-N 2.8Å; E112-D408 VanDerWaalsContact O-OD2 3.1Å; E112-K616 HydrophobicContact CG-CD 4.37Å; E112-K616 HydrophobicContact CG-CG 4.25Å; E112-K616 WeakPolarHBondContact O-CD 3.28Å; E112-K616 WeakPolarHBondContact O-CE 3.18Å; E112-K616 PolarHBondContact O-NZ 3Å; E112-K616 VanDerWaalsContact O-NZ 3.14Å |
| 113 | H | 90.5 | Very high | 91.2 | Very high | 24 Ų | 24 | 8.6 Ų | 8.6 | 11% | 0.111 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -114.5 | -16.1 | -171.7 | -56.5 | -54 | 0 | 0 | 0 | 114 | D111 D179 G405 A407 D408 | D111-H113 VanDerWaalsContact C-N 3.29Å; D111-H113 PolarHBondContact O-N 3.27Å; D111-H113 PolarHBondContact OD1-N 3.37Å; H113-D179 IonicContact CD2-OD1 2.71Å; H113-D179 IonicContact NE2-OD1 3.24Å; H113-D179 PolarHBondContact NE2-OD1 3.31Å; H113-G405 WeakPolarHBondContact CB-O 3.47Å; H113-A407 WeakPolarHBondContact O-CB 3.31Å; H113-D408 VanDerWaalsContact CA-OD2 3.32Å; H113-D408 WeakPolarHBondContact CA-OD2 3.36Å; H113-D408 IonicContact CE1-OD2 3.26Å; H113-D408 IonicContact CG-OD2 3.56Å; H113-D408 IonicContact ND1-OD2 2.64Å; H113-D408 PolarHBondContact ND1-OD2 2.82Å |
| 114 | C | 88.3 | Confident | 91 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | trans | -124 | 84.9 | -178.1 | -61.2 | 0 | 0 | 0 | 0 | 110.4 | D111 D116 L117 | D111-C114 HydrophobicContact CB-CB 4.17Å; D111-C114 WeakPolarHBondContact CB-O 3.35Å; D111-C114 WeakPolarHBondContact OD1-CB 3.49Å; D111-C114 PolarHBondContact OD1-N 3.08Å; C114-D116 PolarHBondContact O-N 3.1Å; C114-L117 HydrophobicContact CB-CB 4.44Å; C114-L117 HydrophobicContact CB-CD1 3.89Å; C114-L117 HydrophobicContact CB-CG 4.08Å; C114-L117 PolarHBondContact O-N 3.41Å | ||
| 115 | A | 91.2 | Very high | 90.7 | Very high | 34 Ų | 34 | 8.3 Ų | 8.3 | 28% | 0.281 | 5% | 0.046 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -6.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q110 F118 A435 | Q110-A115 PolarHBondContact NE2-O 3.08Å; A115-F118 WeakPolarHBondContact O-CE2 3.29Å; A115-A435 HydrophobicContact CB-CB 4.04Å |
| 116 | D | 90.9 | Very high | 90.3 | Very high | 6 Ų | 6 | 9.8 Ų | 9.8 | 3% | 0.032 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -1.3 | 175.2 | 60.2 | -13.8 | 0 | 0 | 0 | 113.5 | P63 L64 C114 R169 S433 T434 A435 | P63-D116 CarbonylContact C-O 3.57Å; P63-D116 VanDerWaalsContact CA-O 3.27Å; P63-D116 WeakPolarHBondContact CA-O 3.45Å; L64-D116 PolarHBondContact N-O 3.16Å; L64-D116 CarbonylContact O-C 3.59Å; L64-D116 WeakPolarHBondContact O-CA 3.45Å; L64-D116 WeakPolarHBondContact O-CB 3.33Å; L64-D116 VanDerWaalsContact O-O 3.09Å; C114-D116 PolarHBondContact O-N 3.1Å; D116-R169 IonicContact OD1-NH2 3.96Å; D116-R169 PolarHBondContact OD1-NH2 2.72Å; D116-R169 IonicContact OD2-NH2 3.65Å; D116-R169 PolarHBondContact OD2-NH2 3.14Å; D116-S433 WeakPolarHBondContact OD2-CA 3.38Å; D116-S433 PolarHBondContact OD2-OG 2.95Å; D116-T434 WeakPolarHBondContact CB-OG1 3.46Å; D116-T434 PolarHBondContact OD2-N 3.32Å; D116-A435 HydrophobicContact CB-CB 3.91Å; D116-A435 WeakPolarHBondContact OD1-CB 3.04Å; D116-A435 PolarHBondContact OD2-N 3.29Å |
| 117 | L | 88.7 | Confident | 89.8 | Confident | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.4 | 175.9 | -61.2 | -179.1 | 0 | 0 | 0 | 110.8 | D111 C114 I166 R169 F184 | D111-L117 HydrophobicContact CB-CB 3.92Å; D111-L117 PolarHBondContact N-O 3.44Å; C114-L117 HydrophobicContact CB-CB 4.44Å; C114-L117 HydrophobicContact CB-CD1 3.89Å; C114-L117 HydrophobicContact CB-CG 4.08Å; C114-L117 PolarHBondContact O-N 3.41Å; L117-I166 HydrophobicContact CD2-CD1 4.4Å; L117-I166 HydrophobicContact CD2-CG1 4.41Å; L117-I166 HydrophobicContact CD2-CG2 3.81Å; L117-R169 HydrophobicContact CD1-CG 4.32Å; L117-F184 HydrophobicContact CB-CD2 4.17Å; L117-F184 HydrophobicContact CB-CE2 4.4Å |
| 118 | F | 90.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.009 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.2 | -178.3 | -68.1 | -97.3 | 0 | 0 | 0 | 110.3 | V61 F62 L64 V69 E109 Q110 A115 L614 | V61-F118 CarbonylContact C-O 3.59Å; V61-F118 VanDerWaalsContact CA-O 3.22Å; V61-F118 WeakPolarHBondContact CA-O 3.4Å; V61-F118 WeakPolarHBondContact CG1-O 3.21Å; F62-F118 HydrophobicContact CD1-CB 4.27Å; F62-F118 WeakPolarHBondContact CD1-O 3.35Å; F62-F118 HydrophobicContact CD2-CB 4.33Å; F62-F118 HydrophobicContact CE1-CB 3.64Å; F62-F118 HydrophobicContact CE2-CB 3.76Å; F62-F118 HydrophobicContact CE2-CG 4.33Å; F62-F118 HydrophobicContact CZ-CB 3.35Å; F62-F118 HydrophobicContact CZ-CG 4.2Å; F62-F118 PolarHBondContact N-O 3.28Å; F62-F118 PolarHBondContact O-N 2.98Å; L64-F118 HydrophobicContact CB-CD2 3.8Å; L64-F118 HydrophobicContact CB-CE2 3.6Å; L64-F118 HydrophobicContact CB-CZ 4.47Å; L64-F118 HydrophobicContact CD1-CD1 4.49Å; L64-F118 HydrophobicContact CD1-CD2 3.83Å; L64-F118 HydrophobicContact CD1-CE2 3.89Å; L64-F118 HydrophobicContact CD1-CG 4.16Å; L64-F118 HydrophobicContact CD1-CZ 4.21Å; L64-F118 HydrophobicContact CG-CD2 3.9Å; L64-F118 HydrophobicContact CG-CE2 4.1Å; V69-F118 HydrophobicContact CB-CE1 4.26Å; V69-F118 HydrophobicContact CG2-CD1 4.02Å; V69-F118 HydrophobicContact CG2-CE1 3.51Å; V69-F118 HydrophobicContact CG2-CZ 3.88Å; E109-F118 CarbonylContact O-C 3.45Å; E109-F118 VanDerWaalsContact O-CA 3.28Å; E109-F118 WeakPolarHBondContact O-CA 3.49Å; Q110-F118 HydrophobicContact CB-CD1 4.19Å; Q110-F118 HydrophobicContact CB-CE1 3.95Å; Q110-F118 HydrophobicContact CG-CD1 4.46Å; Q110-F118 HydrophobicContact CG-CE1 3.99Å; Q110-F118 HydrophobicContact CG-CZ 4.08Å; A115-F118 WeakPolarHBondContact O-CE2 3.29Å; F118-L614 HydrophobicContact CD1-CD1 3.71Å; F118-L614 HydrophobicContact CE1-CB 4.3Å; F118-L614 HydrophobicContact CE1-CD1 3.9Å |
| 119 | K | 88.2 | Confident | 88.5 | Confident | 24 Ų | 24 | 16.8 Ų | 16.8 | 10% | 0.104 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136 | 176.9 | -171.5 | 175.6 | 84.5 | -169.4 | 0 | 110.4 | F60 V61 A108 E109 N121 F184 | F60-K119 CarbonylContact O-C 3.52Å; F60-K119 WeakPolarHBondContact O-CA 3.35Å; V61-K119 HydrophobicContact CG2-CB 4.04Å; V61-K119 HydrophobicContact CG2-CD 4.21Å; V61-K119 HydrophobicContact CG2-CG 3.83Å; A108-K119 CarbonylContact C-O 3.59Å; A108-K119 VanDerWaalsContact CA-O 3.29Å; A108-K119 WeakPolarHBondContact CA-O 3.22Å; E109-K119 PolarHBondContact N-O 3.24Å; E109-K119 PolarHBondContact O-N 2.95Å; E109-K119 WeakPolarHBondContact OE2-CE 3.05Å; E109-K119 IonicContact OE2-NZ 3.35Å; E109-K119 PolarHBondContact OE2-NZ 2.96Å; K119-N121 WeakPolarHBondContact CE-ND2 3.38Å; K119-F184 HydrophobicContact CB-CD1 4.14Å; K119-F184 HydrophobicContact CB-CD2 4.14Å; K119-F184 HydrophobicContact CB-CE1 3.67Å; K119-F184 HydrophobicContact CB-CE2 3.66Å; K119-F184 HydrophobicContact CB-CG 4.38Å; K119-F184 HydrophobicContact CB-CZ 3.42Å; K119-F184 VanDerWaalsContact CB-CZ 3.42Å; K119-F184 HydrophobicContact CD-CD1 3.97Å; K119-F184 HydrophobicContact CD-CE1 4.05Å; K119-F184 HydrophobicContact CG-CE1 4.5Å |
| 120 | M | 87.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 144.3 | 167.3 | -71.6 | 169.6 | -172.2 | 0 | 0 | 110.3 | S59 F60 F62 F72 L107 A108 I133 L135 | S59-M120 CarbonylContact C-O 3.55Å; S59-M120 WeakPolarHBondContact CA-O 3.18Å; S59-M120 PolarHBondContact OG-O 3.39Å; F60-M120 HydrophobicContact CB-CB 4.5Å; F60-M120 HydrophobicContact CD1-SD 4.21Å; F60-M120 PolarHBondContact N-O 3.3Å; F60-M120 PolarHBondContact O-N 3.49Å; F62-M120 HydrophobicContact CD1-CE 4.41Å; F62-M120 HydrophobicContact CE1-CE 3.44Å; F62-M120 VanDerWaalsContact CE1-CE 3.44Å; F62-M120 HydrophobicContact CE1-CG 3.89Å; F62-M120 HydrophobicContact CE1-SD 4.01Å; F62-M120 HydrophobicContact CE2-CE 4.45Å; F62-M120 HydrophobicContact CZ-CE 3.47Å; F62-M120 VanDerWaalsContact CZ-CE 3.47Å; F72-M120 HydrophobicContact CD2-CE 4.14Å; F72-M120 HydrophobicContact CE2-CE 3.93Å; F72-M120 HydrophobicContact CE2-CG 3.87Å; F72-M120 HydrophobicContact CE2-SD 3.73Å; F72-M120 HydrophobicContact CZ-CB 4.32Å; F72-M120 HydrophobicContact CZ-CG 3.94Å; F72-M120 HydrophobicContact CZ-SD 4.31Å; L107-M120 CarbonylContact O-C 3.51Å; L107-M120 VanDerWaalsContact O-CA 3.26Å; L107-M120 WeakPolarHBondContact O-CA 3.48Å; A108-M120 HydrophobicContact CB-CG 4.27Å; M120-I133 HydrophobicContact CE-CG2 4.27Å; M120-I133 HydrophobicContact SD-CD1 4.22Å; M120-I133 HydrophobicContact SD-CG2 3.97Å; M120-L135 HydrophobicContact CE-CD1 3Å; M120-L135 HydrophobicContact CE-CD2 3.43Å; M120-L135 VanDerWaalsContact CE-CD2 3.43Å; M120-L135 HydrophobicContact CE-CG 3.26Å |
| 121 | N | 87.9 | Confident | 88 | Confident | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142.2 | 166.6 | -47.6 | -68.8 | 0 | 0 | 0 | 109.4 | A58 S59 Y95 I106 L107 K119 | A58-N121 CarbonylContact O-C 3.56Å; A58-N121 WeakPolarHBondContact O-CA 2.92Å; S59-N121 WeakPolarHBondContact CB-OD1 3.46Å; S59-N121 PolarHBondContact OG-OD1 3.23Å; Y95-N121 HydrophobicContact CE1-CB 4.3Å; Y95-N121 HydrophobicContact CE2-CB 4.06Å; Y95-N121 WeakPolarHBondContact OH-CB 3.22Å; I106-N121 WeakPolarHBondContact CA-O 3.39Å; L107-N121 HydrophobicContact CB-CB 4.35Å; L107-N121 PolarHBondContact N-O 3.43Å; L107-N121 PolarHBondContact O-N 2.78Å; K119-N121 WeakPolarHBondContact CE-ND2 3.38Å |
| 122 | I | 89 | Confident | 88 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 114.3 | 174.6 | -53.6 | 167.7 | 0 | 0 | 0 | 107.8 | L15 E57 A58 A105 I106 I125 V131 I133 | L15-I122 HydrophobicContact CD1-CD1 4.08Å; L15-I122 HydrophobicContact CD2-CD1 4.44Å; E57-I122 CarbonylContact C-O 3.57Å; E57-I122 VanDerWaalsContact CA-O 3.29Å; E57-I122 WeakPolarHBondContact CA-O 3.29Å; A58-I122 PolarHBondContact N-O 3.49Å; A58-I122 PolarHBondContact O-N 2.98Å; A105-I122 CarbonylContact O-C 3.37Å; A105-I122 WeakPolarHBondContact O-CA 3.49Å; I106-I122 HydrophobicContact CG2-CB 4.4Å; I106-I122 HydrophobicContact CG2-CG1 4.04Å; I106-I122 HydrophobicContact CG2-CG2 4.04Å; I122-I125 HydrophobicContact CB-CD1 4Å; I122-I125 HydrophobicContact CB-CG1 4.21Å; I122-I125 HydrophobicContact CD1-CD1 4.36Å; I122-I125 HydrophobicContact CG2-CD1 3.8Å; I122-I125 HydrophobicContact CG2-CG1 3.52Å; I122-V131 HydrophobicContact CD1-CG1 4.09Å; I122-I133 HydrophobicContact CD1-CD1 3.25Å; I122-I133 HydrophobicContact CD1-CG1 3.78Å; I122-I133 HydrophobicContact CG1-CD1 4.37Å |
| 123 | G | 88.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 145.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y95 T104 A105 I125 | Y95-G123 PolarHBondContact OH-N 3.31Å; T104-G123 WeakPolarHBondContact CA-O 3.43Å; T104-G123 WeakPolarHBondContact CG2-O 3.36Å; A105-G123 PolarHBondContact N-O 2.75Å; A105-G123 PolarHBondContact O-N 2.87Å; G123-I125 PolarHBondContact O-N 3.38Å |
| 124 | N | 87.2 | Confident | 88.3 | Confident | 23 Ų | 23 | 21.1 Ų | 21.1 | 12% | 0.123 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.1 | 48 | 174.2 | -62.4 | -36.9 | 0 | 0 | 0 | 115.4 | L56 V99 H103 T104 P126 L628 | L56-N124 CarbonylContact O-C 3.58Å; L56-N124 VanDerWaalsContact O-CA 3.27Å; L56-N124 WeakPolarHBondContact O-CA 3.43Å; L56-N124 PolarHBondContact O-N 3.11Å; V99-N124 PolarHBondContact O-ND2 3.38Å; H103-N124 PolarHBondContact O-ND2 2.93Å; T104-N124 PolarHBondContact OG1-O 2.99Å; N124-P126 WeakPolarHBondContact O-CD 3.46Å; N124-L628 HydrophobicContact CB-CD1 3.77Å; N124-L628 WeakPolarHBondContact O-CD1 3.41Å |
| 125 | I | 85.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 121.8 | 169.1 | -58.1 | 174 | 0 | 0 | 0 | 108.6 | I24 N50 A55 L56 A58 I122 G123 V131 | I24-I125 HydrophobicContact CD1-CD1 4.19Å; N50-I125 HydrophobicContact CB-CG2 3.74Å; N50-I125 PolarHBondContact ND2-O 2.88Å; A55-I125 WeakPolarHBondContact CA-O 3.48Å; L56-I125 HydrophobicContact CD1-CB 3.65Å; L56-I125 HydrophobicContact CD1-CD1 3.53Å; L56-I125 HydrophobicContact CD1-CG1 3.84Å; L56-I125 HydrophobicContact CG-CB 4.12Å; L56-I125 PolarHBondContact N-O 3.43Å; L56-I125 VanDerWaalsContact N-O 3.11Å; L56-I125 PolarHBondContact O-N 3.16Å; A58-I125 HydrophobicContact CB-CD1 3.89Å; I122-I125 HydrophobicContact CB-CD1 4Å; I122-I125 HydrophobicContact CB-CG1 4.21Å; I122-I125 HydrophobicContact CD1-CD1 4.36Å; I122-I125 HydrophobicContact CG2-CD1 3.8Å; I122-I125 HydrophobicContact CG2-CG1 3.52Å; G123-I125 PolarHBondContact O-N 3.38Å; I125-V131 HydrophobicContact CB-CG2 4.4Å; I125-V131 HydrophobicContact CD1-CG2 4.15Å; I125-V131 HydrophobicContact CG1-CG2 4.06Å; I125-V131 HydrophobicContact CG2-CG2 3.54Å |
| 126 | P | 85.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 22 Ų | 22 | 21% | 0.208 | 12% | 0.116 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 155.1 | -174.7 | 24.3 | -32.9 | 0 | 0 | 0 | 112.9 | N50 I76 N124 G129 | N50-P126 PolarHBondContact ND2-O 3.06Å; I76-P126 HydrophobicContact CG2-CG 3.76Å; N124-P126 WeakPolarHBondContact O-CD 3.46Å; P126-G129 WeakPolarHBondContact O-CA 3.46Å; P126-G129 PolarHBondContact O-N 3.29Å |
| 127 | P | 83.6 | Confident | 89.3 | Confident | 47 Ų | 47 | 22.2 Ų | 22.2 | 31% | 0.305 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 137.7 | 173.5 | -21.2 | 29 | 0 | 0 | 0 | 112.1 | G129 | P127-G129 PolarHBondContact O-N 3.42Š|
| 128 | N | 81.8 | Confident | 89.6 | Confident | 92 Ų | 92 | 22 Ų | 22 | 49% | 0.492 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 15.5 | -176.9 | -49.1 | -69.4 | 0 | 0 | 0 | 113.8 | N50 L52 Q53 | N50-N128 CarbonylContact O-C 3.57Å; N50-N128 WeakPolarHBondContact O-CA 3.44Å; N50-N128 PolarHBondContact O-N 2.97Å; N50-N128 VanDerWaalsContact O-N 3.11Å; L52-N128 PolarHBondContact O-N 2.98Å; Q53-N128 PolarHBondContact NE2-OD1 3.48Å; Q53-N128 PolarHBondContact OE1-ND2 3.08Å |
| 129 | G | 82.2 | Confident | 89.9 | Confident | 11 Ų | 11 | 22 Ų | 22 | 11% | 0.113 | 12% | 0.116 | C | C | . | . | trans | -78.1 | 143.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N50 P126 P127 | N50-G129 PolarHBondContact N-O 3.2Å; P126-G129 WeakPolarHBondContact O-CA 3.46Å; P126-G129 PolarHBondContact O-N 3.29Å; P127-G129 PolarHBondContact O-N 3.42Å | ||
| 130 | K | 88.6 | Confident | 90.2 | Very high | 131 Ų | 131 | 24.4 Ų | 24.4 | 57% | 0.57 | 13% | 0.129 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.5 | 168.3 | -65.2 | -177 | -177.9 | -179.3 | 0 | 109.6 | Y48 E49 | Y48-K130 WeakPolarHBondContact O-CA 3.5Å; E49-K130 HydrophobicContact CG-CG 4.49Å |
| 131 | V | 88.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 123.1 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | Y48 A74 Q75 I76 I122 I125 I133 | Y48-V131 PolarHBondContact N-O 3.27Å; Y48-V131 PolarHBondContact O-N 3.06Å; A74-V131 HydrophobicContact CB-CG1 4.43Å; Q75-V131 WeakPolarHBondContact O-CA 3.48Å; I76-V131 HydrophobicContact CG1-CG1 4.22Å; I76-V131 HydrophobicContact CG1-CG2 4.01Å; I76-V131 HydrophobicContact CG2-CG2 4.45Å; I122-V131 HydrophobicContact CD1-CG1 4.09Å; I125-V131 HydrophobicContact CB-CG2 4.4Å; I125-V131 HydrophobicContact CD1-CG2 4.15Å; I125-V131 HydrophobicContact CG1-CG2 4.06Å; I125-V131 HydrophobicContact CG2-CG2 3.54Å; V131-I133 HydrophobicContact CG1-CG1 4Å |
| 132 | A | 92.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 29 Ų | 29 | 16% | 0.157 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | F46 L47 A74 Q75 | F46-A132 CarbonylContact O-C 3.51Å; F46-A132 WeakPolarHBondContact O-CA 3.47Å; L47-A132 HydrophobicContact CD1-CB 4.4Å; A74-A132 CarbonylContact C-O 3.56Å; A74-A132 WeakPolarHBondContact CA-O 3.44Å; Q75-A132 HydrophobicContact CB-CB 4.22Å; Q75-A132 PolarHBondContact N-O 3.03Å; Q75-A132 PolarHBondContact O-N 3.34Å |
| 133 | I | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.2 | 175.9 | -56.3 | 176.3 | 0 | 0 | 0 | 108 | L15 E45 F46 Y48 F72 E73 M120 I122 V131 | L15-I133 HydrophobicContact CD1-CD1 4.41Å; E45-I133 CarbonylContact C-O 3.6Å; E45-I133 VanDerWaalsContact CA-O 3.24Å; E45-I133 WeakPolarHBondContact CA-O 3.28Å; F46-I133 HydrophobicContact CB-CB 4.24Å; F46-I133 HydrophobicContact CD2-CB 4.32Å; F46-I133 HydrophobicContact CD2-CG2 4.4Å; F46-I133 PolarHBondContact N-O 3.3Å; F46-I133 PolarHBondContact O-N 3.06Å; Y48-I133 HydrophobicContact CD2-CD1 3.93Å; Y48-I133 HydrophobicContact CD2-CG1 4.34Å; Y48-I133 HydrophobicContact CE2-CD1 3.63Å; Y48-I133 HydrophobicContact CE2-CG1 4.38Å; F72-I133 HydrophobicContact CD2-CG2 3.94Å; F72-I133 HydrophobicContact CE2-CG2 3.49Å; F72-I133 VanDerWaalsContact CE2-CG2 3.49Å; E73-I133 CarbonylContact O-C 3.52Å; E73-I133 WeakPolarHBondContact O-CA 3.17Å; M120-I133 HydrophobicContact CE-CG2 4.27Å; M120-I133 HydrophobicContact SD-CD1 4.22Å; M120-I133 HydrophobicContact SD-CG2 3.97Å; I122-I133 HydrophobicContact CD1-CD1 3.25Å; I122-I133 HydrophobicContact CD1-CG1 3.78Å; I122-I133 HydrophobicContact CG1-CD1 4.37Å; V131-I133 HydrophobicContact CG1-CG1 4Å |
| 134 | V | 95.3 | Very high | 90.6 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.9 | 172.4 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | M43 V44 E45 F72 E73 | M43-V134 HydrophobicContact CG-CG1 3.67Å; M43-V134 HydrophobicContact SD-CG1 4.23Å; V44-V134 CarbonylContact O-C 3.5Å; V44-V134 WeakPolarHBondContact O-CA 3.35Å; E45-V134 HydrophobicContact CB-CG2 4.19Å; E45-V134 HydrophobicContact CG-CG2 3.98Å; F72-V134 WeakPolarHBondContact CA-O 3.42Å; E73-V134 HydrophobicContact CG-CB 3.56Å; E73-V134 HydrophobicContact CG-CG1 4.4Å; E73-V134 HydrophobicContact CG-CG2 4.27Å; E73-V134 PolarHBondContact N-O 2.93Å; E73-V134 PolarHBondContact O-N 3.19Å |
| 135 | L | 95.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 147 | 167.4 | -77 | 178.4 | 0 | 0 | 0 | 111.2 | M43 V44 F46 F62 V69 H71 F72 M120 | M43-L135 CarbonylContact C-O 3.58Å; M43-L135 VanDerWaalsContact CA-O 3.29Å; M43-L135 WeakPolarHBondContact CA-O 3.46Å; V44-L135 PolarHBondContact N-O 3.09Å; V44-L135 PolarHBondContact O-N 3.11Å; F46-L135 HydrophobicContact CE2-CD1 4.06Å; F62-L135 HydrophobicContact CE1-CD1 4.42Å; F62-L135 HydrophobicContact CE2-CD1 3.61Å; F62-L135 HydrophobicContact CZ-CD1 3.51Å; V69-L135 HydrophobicContact CG1-CD2 4.12Å; H71-L135 WeakPolarHBondContact O-CA 3.41Å; H71-L135 WeakPolarHBondContact O-CD2 3.42Å; F72-L135 HydrophobicContact CB-CD2 3.9Å; F72-L135 HydrophobicContact CD2-CD2 3.67Å; F72-L135 HydrophobicContact CD2-CG 4.49Å; F72-L135 HydrophobicContact CG-CD2 4.15Å; M120-L135 HydrophobicContact CE-CD1 3Å; M120-L135 HydrophobicContact CE-CD2 3.43Å; M120-L135 VanDerWaalsContact CE-CD2 3.43Å; M120-L135 HydrophobicContact CE-CG 3.26Å |
| 136 | R | 96.9 | Very high | 90.3 | Very high | 50 Ų | 50 | 33 Ų | 33 | 19% | 0.189 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 137.9 | 161.3 | -47.3 | 170.6 | 176.3 | -103 | -3.2 | 111.4 | V42 M43 Y70 H71 N562 | V42-R136 CarbonylContact O-C 3.55Å; V42-R136 WeakPolarHBondContact O-CA 3.43Å; M43-R136 HydrophobicContact CB-CG 4.35Å; M43-R136 HydrophobicContact CG-CG 4.16Å; Y70-R136 HydrophobicContact CD2-CB 4.39Å; Y70-R136 HydrophobicContact CE1-CB 3.91Å; Y70-R136 HydrophobicContact CE2-CB 3.7Å; Y70-R136 VanDerWaalsContact CZ-CB 3.42Å; Y70-R136 PolarHBondContact N-O 3.43Å; Y70-R136 WeakPolarHBondContact OH-CB 3.37Å; H71-R136 HydrophobicContact CB-CB 3.67Å; H71-R136 HydrophobicContact CB-CG 3.82Å; H71-R136 PolarHBondContact N-O 3.32Å; H71-R136 PolarHBondContact O-N 3.42Å; R136-N562 PolarHBondContact NH1-ND2 3.03Å |
| 137 | Y | 97.3 | Very high | 89.5 | Confident | 12 Ų | 12 | 35 Ų | 35 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 152.5 | 177.3 | 57.8 | -95.4 | 0 | 0 | 0 | 111.5 | V42 V44 L64 V67 A68 L162 | V42-Y137 HydrophobicContact CB-CD1 4.46Å; V42-Y137 HydrophobicContact CB-CD2 3.91Å; V42-Y137 HydrophobicContact CB-CE1 4.08Å; V42-Y137 HydrophobicContact CB-CE2 3.47Å; V42-Y137 VanDerWaalsContact CB-CE2 3.47Å; V42-Y137 HydrophobicContact CB-CG 4.39Å; V42-Y137 HydrophobicContact CG1-CE1 4.03Å; V42-Y137 HydrophobicContact CG1-CE2 3.96Å; V42-Y137 WeakPolarHBondContact CG1-OH 3.49Å; V42-Y137 HydrophobicContact CG2-CD2 4.14Å; V42-Y137 HydrophobicContact CG2-CE2 3.57Å; V42-Y137 PolarHBondContact N-O 2.89Å; V42-Y137 PolarHBondContact O-N 3.44Å; V44-Y137 HydrophobicContact CG2-CE1 3.69Å; L64-Y137 HydrophobicContact CD1-CD1 4.17Å; L64-Y137 HydrophobicContact CD1-CE1 4.47Å; L64-Y137 HydrophobicContact CD1-CG 4.4Å; L64-Y137 HydrophobicContact CD2-CD1 4.15Å; L64-Y137 HydrophobicContact CD2-CE1 3.65Å; L64-Y137 HydrophobicContact CD2-CE2 4.19Å; V67-Y137 HydrophobicContact CB-CD2 4.02Å; V67-Y137 HydrophobicContact CG1-CD2 4.11Å; V67-Y137 HydrophobicContact CG2-CD2 3.79Å; V67-Y137 HydrophobicContact CG2-CG 4Å; A68-Y137 CarbonylContact O-C 3.58Å; A68-Y137 WeakPolarHBondContact O-CA 3.33Å; A68-Y137 WeakPolarHBondContact O-CB 3.25Å; Y137-L162 HydrophobicContact CE2-CD2 4.43Å |
| 138 | V | 96.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138 | 178.6 | 59.7 | 0 | 0 | 0 | 0 | 111 | L39 S40 V67 A68 Y70 P564 R567 L568 | L39-V138 HydrophobicContact CD1-CG2 3.9Å; L39-V138 HydrophobicContact CD2-CG2 3.98Å; L39-V138 HydrophobicContact CG-CG2 3.83Å; S40-V138 CarbonylContact O-C 3.59Å; S40-V138 WeakPolarHBondContact O-CA 3.12Å; S40-V138 WeakPolarHBondContact O-CG2 3.41Å; V67-V138 WeakPolarHBondContact CA-O 3.41Å; V67-V138 WeakPolarHBondContact CB-O 3.37Å; A68-V138 HydrophobicContact CB-CG1 3.76Å; A68-V138 PolarHBondContact N-O 3.22Å; A68-V138 PolarHBondContact O-N 3.23Å; Y70-V138 HydrophobicContact CD1-CB 4.47Å; Y70-V138 HydrophobicContact CD1-CG1 4.1Å; Y70-V138 HydrophobicContact CE1-CB 4.19Å; Y70-V138 HydrophobicContact CE1-CG1 4.29Å; V138-P564 HydrophobicContact CB-CB 4.12Å; V138-P564 HydrophobicContact CG2-CB 3.78Å; V138-R567 HydrophobicContact CG1-CB 3.96Å; V138-L568 HydrophobicContact CG1-CB 4.06Å; V138-L568 HydrophobicContact CG2-CB 4.18Å; V138-L568 HydrophobicContact CG2-CD2 4.44Å |
| 139 | G | 95.9 | Very high | 86.8 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 161.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S40 | S40-G139 PolarHBondContact N-O 3.5Å; S40-G139 PolarHBondContact O-N 3.07Å; S40-G139 PolarHBondContact OG-O 2.92Å |
| 140 | L | 95.1 | Very high | 85.1 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 39% | 0.387 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 147.7 | 169.8 | -69.5 | 172.5 | 0 | 0 | 0 | 110.5 | T513 L568 M572 | L140-T513 HydrophobicContact CD1-CG2 4.48Å; L140-T513 HydrophobicContact CD2-CG2 4.38Å; L140-L568 HydrophobicContact CD2-CD2 3.68Å; L140-L568 HydrophobicContact CG-CD1 4.4Å; L140-L568 HydrophobicContact CG-CD2 3.93Å; L140-M572 HydrophobicContact CD1-CE 4.31Å |
| 141 | I | 94.2 | Very high | 83.3 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | trans | -109.3 | 147 | 176.5 | -49.4 | -176.2 | 0 | 0 | 0 | 108.8 | I35 M38 I158 I159 L160 | I35-I141 HydrophobicContact CB-CD1 4.19Å; I35-I141 HydrophobicContact CD1-CD1 3.76Å; I35-I141 HydrophobicContact CG1-CD1 3.86Å; I35-I141 HydrophobicContact CG2-CD1 3.33Å; M38-I141 HydrophobicContact CE-CB 4.35Å; M38-I141 VanDerWaalsContact CE-O 3.26Å; M38-I141 WeakPolarHBondContact CE-O 3.4Å; M38-I141 PolarHBondContact O-N 3.09Å; I141-I158 HydrophobicContact CB-CG2 4.39Å; I141-I158 HydrophobicContact CG2-CG2 3.48Å; I141-I158 VanDerWaalsContact CG2-CG2 3.48Å; I141-I159 VanDerWaalsContact CG2-C 3.45Å; I141-I159 WeakPolarHBondContact CG2-O 3.47Å; I141-L160 HydrophobicContact CD1-CD1 4.13Å; I141-L160 HydrophobicContact CG1-CD1 4.36Å | ||
| 142 | E | 90.7 | Very high | 81.4 | Confident | 90 Ų | 90 | 47.8 Ų | 47.8 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 146 | 177.3 | -62.2 | -175.9 | 172.5 | 0 | 0 | 111.3 | M38 I158 I159 | M38-E142 VanDerWaalsContact CE-O 3.31Å; M38-E142 WeakPolarHBondContact CE-O 3.38Å; E142-I158 CarbonylContact O-C 3.5Å; E142-I158 WeakPolarHBondContact O-CA 3.37Å; E142-I159 PolarHBondContact O-N 3.25Å |
| 143 | G | 90.8 | Very high | 79.4 | Confident | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 149.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E157 | G143-E157 CarbonylContact C-O 2.88Å; G143-E157 WeakPolarHBondContact CA-O 3.26Å |
| 144 | K | 86.1 | Confident | 78.5 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 24% | 0.239 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 147.2 | -179.7 | 63.6 | -176.5 | -179.6 | 178.8 | 0 | 111.1 | S156 E157 | K144-S156 WeakPolarHBondContact O-CA 3.19Å; K144-S156 WeakPolarHBondContact O-CB 3.36Å; K144-E157 WeakPolarHBondContact CE-OE2 3.22Å; K144-E157 HydrophobicContact CG-CB 4.14Å; K144-E157 PolarHBondContact N-O 2.79Å; K144-E157 IonicContact NZ-OE2 2.88Å; K144-E157 PolarHBondContact NZ-OE2 2.84Å; K144-E157 PolarHBondContact O-N 2.83Å |
| 145 | N | 87.1 | Confident | 78.1 | Confident | 21 Ų | 21 | 56.2 Ų | 56.2 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 134.1 | 168.9 | -74.5 | -28.9 | 0 | 0 | 0 | 110 | P253 L254 | N145-P253 WeakPolarHBondContact OD1-CA 3.41Å; N145-L254 PolarHBondContact ND2-O 3.41Å; N145-L254 WeakPolarHBondContact OD1-CB 3.37Å; N145-L254 PolarHBondContact OD1-N 2.85Å |
| 146 | V | 78.2 | Confident | 77.9 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 11% | 0.109 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117 | 174.4 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | H155 E157 | V146-H155 PolarHBondContact N-O 2.69Å; V146-H155 PolarHBondContact O-N 3.35Å; V146-E157 HydrophobicContact CG2-CG 4.07Å |
| 147 | K | 69.1 | Low | 77.7 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | trans | -97.5 | 135.1 | 176.3 | -67.5 | 175.9 | -178.2 | 163 | 0 | 108.3 | D509 | K147-D509 IonicContact NZ-OD2 3.68Š| ||
| 148 | T | 57.6 | Low | 77.6 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | trans | -113.4 | 136.2 | 165.2 | 64.2 | 0 | 0 | 0 | 0 | 107.9 | T150 F153 | T148-T150 CarbonylContact O-C 3.58Å; T148-T150 VanDerWaalsContact O-C 3.23Å; T148-T150 PolarHBondContact O-N 3.31Å; T148-T150 VanDerWaalsContact O-O 3.06Å; T148-T150 PolarHBondContact OG1-O 3.45Å; T148-T150 PolarHBondContact OG1-OG1 3.18Å; T148-F153 PolarHBondContact OG1-O 2.94Å; T148-F153 VanDerWaalsContact OG1-O 3.13Å | ||
| 149 | D | 50.1 | Low | 77.4 | Confident | 95 Ų | 95 | 55.7 Ų | 55.7 | 51% | 0.508 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -56.1 | -23.8 | -179.6 | -153.1 | 10.9 | 0 | 0 | 0 | 112.7 | S151 | D149-S151 PolarHBondContact O-N 2.93Š|
| 150 | T | 47.8 | Very low | 77.4 | Confident | 99 Ų | 99 | 56 Ų | 56 | 61% | 0.607 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -71.1 | 100.9 | 161.3 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | T148 K152 F153 | T148-T150 CarbonylContact O-C 3.58Å; T148-T150 VanDerWaalsContact O-C 3.23Å; T148-T150 PolarHBondContact O-N 3.31Å; T148-T150 VanDerWaalsContact O-O 3.06Å; T148-T150 PolarHBondContact OG1-O 3.45Å; T148-T150 PolarHBondContact OG1-OG1 3.18Å; T150-K152 PolarHBondContact O-N 3.44Å; T150-F153 PolarHBondContact O-N 3.43Å |
| 151 | S | 49.3 | Very low | 77.4 | Confident | 125 Ų | 125 | 53.4 Ų | 53.4 | 87% | 0.874 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 9.7 | 175.7 | 57.9 | 0 | 0 | 0 | 0 | 118 | D149 | D149-S151 PolarHBondContact O-N 2.93Š|
| 152 | K | 49.3 | Very low | 77.3 | Confident | 195 Ų | 195 | 53.3 Ų | 53.3 | 85% | 0.848 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -17.3 | -177.1 | -75.6 | -172.2 | 175.8 | -179.4 | 0 | 115.7 | T150 | T150-K152 PolarHBondContact O-N 3.44Š|
| 153 | F | 51.9 | Low | 77.3 | Confident | 109 Ų | 109 | 50.1 Ų | 50.1 | 48% | 0.478 | 27% | 0.271 | S | S | . | . | trans | -138.9 | 81 | -178.4 | -152.2 | -93.1 | 0 | 0 | 0 | 112.1 | T148 T150 H155 L210 | T148-F153 PolarHBondContact OG1-O 2.94Å; T148-F153 VanDerWaalsContact OG1-O 3.13Å; T150-F153 PolarHBondContact O-N 3.43Å; F153-H155 HydrophobicContact CD1-CB 4.24Å; F153-H155 HydrophobicContact CE1-CB 3.89Å; F153-L210 HydrophobicContact CE1-CD1 4.24Å; F153-L210 HydrophobicContact CZ-CD1 3.94Å | ||
| 154 | S | 73.5 | Confident | 76.9 | Confident | 60 Ų | 60 | 50 Ų | 50 | 42% | 0.42 | 27% | 0.268 | S | S | . | . | trans | -89.5 | 123.7 | 164.5 | 49.7 | 0 | 0 | 0 | 0 | 108.5 | P253 | S154-P253 WeakPolarHBondContact O-CD 3.44Å; S154-P253 WeakPolarHBondContact OG-CG 3.46Å | ||
| 155 | H | 86.6 | Confident | 76.4 | Confident | 36 Ų | 36 | 48.2 Ų | 48.2 | 17% | 0.167 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 177.7 | 177.9 | 77.7 | 77.8 | 0 | 0 | 0 | 109.1 | V146 F153 L250 | V146-H155 PolarHBondContact N-O 2.69Å; V146-H155 PolarHBondContact O-N 3.35Å; F153-H155 HydrophobicContact CD1-CB 4.24Å; F153-H155 HydrophobicContact CE1-CB 3.89Å; H155-L250 WeakPolarHBondContact CB-O 3.24Å |
| 156 | S | 91.5 | Very high | 75.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 160.8 | 174.8 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | K144 S249 L250 D252 | K144-S156 WeakPolarHBondContact O-CA 3.19Å; K144-S156 WeakPolarHBondContact O-CB 3.36Å; S156-S249 CarbonylContact O-C 3.52Å; S156-S249 WeakPolarHBondContact O-CA 3.46Å; S156-L250 PolarHBondContact N-O 3.36Å; S156-L250 PolarHBondContact O-N 3.04Å; S156-L250 WeakPolarHBondContact OG-CB 3.31Å; S156-D252 WeakPolarHBondContact CB-O 3.22Å; S156-D252 PolarHBondContact OG-O 3.32Å |
| 157 | E | 92.5 | Very high | 75.4 | Confident | 22 Ų | 22 | 49 Ų | 49 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 135.9 | 173.7 | -66.7 | -173.8 | 156.3 | 0 | 0 | 109.8 | G143 K144 V146 K213 V247 L248 | G143-E157 CarbonylContact C-O 2.88Å; G143-E157 WeakPolarHBondContact CA-O 3.26Å; K144-E157 WeakPolarHBondContact CE-OE2 3.22Å; K144-E157 HydrophobicContact CG-CB 4.14Å; K144-E157 PolarHBondContact N-O 2.79Å; K144-E157 IonicContact NZ-OE2 2.88Å; K144-E157 PolarHBondContact NZ-OE2 2.84Å; K144-E157 PolarHBondContact O-N 2.83Å; V146-E157 HydrophobicContact CG2-CG 4.07Å; E157-K213 WeakPolarHBondContact OE1-CE 3.39Å; E157-K213 IonicContact OE1-NZ 3.64Å; E157-K213 PolarHBondContact OE1-NZ 3.09Å; E157-V247 HydrophobicContact CB-CG1 4.19Å; E157-V247 HydrophobicContact CG-CG1 4.36Å; E157-L248 CarbonylContact C-O 3.53Å; E157-L248 VanDerWaalsContact CA-O 3.23Å; E157-L248 WeakPolarHBondContact CA-O 3.36Å |
| 158 | I | 94.8 | Very high | 75.5 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.4 | 172.6 | -62.6 | 177 | 0 | 0 | 0 | 108.2 | M38 I141 E142 M205 V247 L248 L250 L254 | M38-I158 HydrophobicContact CE-CB 4.37Å; M38-I158 HydrophobicContact CE-CD1 4.28Å; M38-I158 HydrophobicContact CE-CG1 3.93Å; M38-I158 HydrophobicContact CE-CG2 3.83Å; M38-I158 HydrophobicContact SD-CD1 3.46Å; M38-I158 WeakPolarHBondContact SD-CD1 3.37Å; M38-I158 HydrophobicContact SD-CG1 3.72Å; M38-I158 HydrophobicContact SD-CG2 4.27Å; I141-I158 HydrophobicContact CB-CG2 4.39Å; I141-I158 HydrophobicContact CG2-CG2 3.48Å; I141-I158 VanDerWaalsContact CG2-CG2 3.48Å; E142-I158 CarbonylContact O-C 3.5Å; E142-I158 WeakPolarHBondContact O-CA 3.37Å; I158-M205 HydrophobicContact CD1-SD 3.78Å; I158-V247 CarbonylContact O-C 3.51Å; I158-V247 WeakPolarHBondContact O-CA 3.33Å; I158-L248 HydrophobicContact CB-CB 4.31Å; I158-L248 PolarHBondContact N-O 3.09Å; I158-L248 PolarHBondContact O-N 2.89Å; I158-L250 HydrophobicContact CD1-CD1 3.56Å; I158-L250 HydrophobicContact CD1-CG 4.37Å; I158-L250 HydrophobicContact CG1-CD1 4.2Å; I158-L254 HydrophobicContact CD1-CD2 4.27Å; I158-L254 HydrophobicContact CG1-CD1 4.39Å; I158-L254 HydrophobicContact CG1-CD2 4.45Å |
| 159 | I | 94.1 | Very high | 76.5 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 16% | 0.159 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 106.4 | -172.5 | -51.8 | 173.5 | 0 | 0 | 0 | 109.8 | I141 E142 V247 | I141-I159 VanDerWaalsContact CG2-C 3.45Å; I141-I159 WeakPolarHBondContact CG2-O 3.47Å; E142-I159 PolarHBondContact O-N 3.25Å; I159-V247 HydrophobicContact CG1-CG1 4.35Å; I159-V247 HydrophobicContact CG1-CG2 4.25Å; I159-V247 HydrophobicContact CG2-CG2 4.32Å |
| 160 | L | 95.9 | Very high | 77.7 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129 | 165.8 | 178.6 | 73.5 | 0 | 0 | 0 | 108.8 | I35 I141 L162 F199 Q245 M246 | I35-L160 HydrophobicContact CD1-CB 4.4Å; I35-L160 HydrophobicContact CD1-CD1 4.5Å; I35-L160 HydrophobicContact CD1-CD2 4.14Å; I141-L160 HydrophobicContact CD1-CD1 4.13Å; I141-L160 HydrophobicContact CG1-CD1 4.36Å; L160-L162 HydrophobicContact CD1-CD2 4.08Å; L160-L162 HydrophobicContact CD2-CD1 4.42Å; L160-L162 HydrophobicContact CD2-CG 4.27Å; L160-L162 HydrophobicContact CG-CD2 4.4Å; L160-L162 HydrophobicContact CG-CG 4.29Å; L160-F199 HydrophobicContact CD2-CE2 3.95Å; L160-F199 HydrophobicContact CD2-CZ 3.68Å; L160-Q245 WeakPolarHBondContact O-CA 3.49Å; L160-M246 HydrophobicContact CB-CB 4.41Å; L160-M246 HydrophobicContact CB-CE 4.14Å; L160-M246 HydrophobicContact CD2-CE 3.93Å; L160-M246 PolarHBondContact N-O 3.49Å; L160-M246 PolarHBondContact O-N 3.49Å |
| 161 | T | 94 | Very high | 79.2 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122.5 | 169.9 | -59.2 | 0 | 0 | 0 | 0 | 109.1 | N65 D243 L244 Q245 | N65-T161 PolarHBondContact ND2-O 2.78Å; T161-D243 HydrophobicContact CG2-CB 3.87Å; T161-L244 WeakPolarHBondContact CA-O 3.16Å; T161-Q245 HydrophobicContact CG2-CG 3.95Å; T161-Q245 PolarHBondContact OG1-NE2 2.92Å |
| 162 | L | 93.1 | Very high | 80.5 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 118.7 | 171.1 | -59.3 | -176.7 | 0 | 0 | 0 | 108.8 | I31 V42 Y137 L160 F199 L244 | I31-L162 HydrophobicContact CD1-CD1 4.47Å; I31-L162 HydrophobicContact CG2-CD1 3.83Å; V42-L162 HydrophobicContact CG2-CD2 4.23Å; Y137-L162 HydrophobicContact CE2-CD2 4.43Å; L160-L162 HydrophobicContact CD1-CD2 4.08Å; L160-L162 HydrophobicContact CD2-CD1 4.42Å; L160-L162 HydrophobicContact CD2-CG 4.27Å; L160-L162 HydrophobicContact CG-CD2 4.4Å; L160-L162 HydrophobicContact CG-CG 4.29Å; L162-F199 HydrophobicContact CD1-CD2 4.03Å; L162-F199 HydrophobicContact CD1-CE2 3.75Å; L162-L244 HydrophobicContact CB-CB 4.38Å; L162-L244 HydrophobicContact CD1-CD2 4.46Å; L162-L244 PolarHBondContact N-O 3.09Å; L162-L244 PolarHBondContact O-N 2.93Å |
| 163 | P | 88.9 | Confident | 81.8 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 15% | 0.149 | 20% | 0.196 | C | C | . | . | trans | -71.7 | 144.7 | -174 | 29.7 | -35 | 0 | 0 | 0 | 111.5 | P63 L64 D243 | P63-P163 HydrophobicContact CB-CB 4.04Å; P63-P163 HydrophobicContact CB-CG 4.26Å; P63-P163 HydrophobicContact CG-CB 4.03Å; P63-P163 HydrophobicContact CG-CG 4.43Å; L64-P163 VanDerWaalsContact CA-CG 3.48Å; P163-D243 VanDerWaalsContact CA-OD1 3.25Å; P163-D243 WeakPolarHBondContact CA-OD1 3.18Å | ||
| 164 | S | 82.7 | Confident | 82.9 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | trans | -133 | -11.3 | 174.8 | 90.3 | 0 | 0 | 0 | 0 | 113.1 | L13 P240 H242 D243 | L13-S164 WeakPolarHBondContact CD1-O 3.46Å; S164-P240 WeakPolarHBondContact OG-CA 3.35Å; S164-P240 WeakPolarHBondContact OG-CB 2.88Å; S164-H242 PolarHBondContact OG-O 3Å; S164-D243 PolarHBondContact N-OD1 3.13Å | ||
| 165 | V | 75.5 | Confident | 83.1 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | trans | -106.6 | 134.6 | -175.2 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | Q430 | V165-Q430 HydrophobicContact CG1-CB 4.49Š| ||
| 166 | I | 72.3 | Confident | 82.5 | Confident | 30 Ų | 30 | 43.9 Ų | 43.9 | 15% | 0.154 | 21% | 0.209 | C | C | . | . | trans | -116.7 | 123.4 | 170.4 | -54.5 | 178.4 | 0 | 0 | 0 | 108.9 | L13 V61 P63 L117 L187 | L13-I166 HydrophobicContact CD2-CD1 3.52Å; L13-I166 HydrophobicContact CD2-CG1 4.09Å; V61-I166 HydrophobicContact CG1-CD1 4.27Å; P63-I166 HydrophobicContact CB-CG1 3.92Å; P63-I166 HydrophobicContact CG-CD1 4.45Å; P63-I166 HydrophobicContact CG-CG1 3.68Å; L117-I166 HydrophobicContact CD2-CD1 4.4Å; L117-I166 HydrophobicContact CD2-CG1 4.41Å; L117-I166 HydrophobicContact CD2-CG2 3.81Å; I166-L187 HydrophobicContact CG2-CD1 3.77Å | ||
| 167 | N | 73.5 | Confident | 81.6 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -92.2 | 148.8 | 169.8 | -67 | -14.5 | 0 | 0 | 0 | 111.3 | D403 Q430 G431 | N167-D403 WeakPolarHBondContact CB-OD1 3.18Å; N167-Q430 PolarHBondContact ND2-O 3.06Å; N167-Q430 PolarHBondContact OD1-O 3.42Å; N167-G431 PolarHBondContact ND2-O 3.28Å |
| 168 | P | 70.5 | Confident | 80.9 | Confident | 65 Ų | 65 | 51 Ų | 51 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 140.8 | 171.6 | -21.6 | 33.4 | 0 | 0 | 0 | 111.9 | D403 M643 | P168-D403 VanDerWaalsContact O-CB 3.31Å; P168-D403 WeakPolarHBondContact O-CB 3.21Å; P168-M643 HydrophobicContact CG-CB 4.36Å; P168-M643 HydrophobicContact CG-CE 3.5Å |
| 169 | R | 78.3 | Confident | 80.3 | Confident | 28 Ų | 28 | 53.5 Ų | 53.5 | 11% | 0.106 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 130 | 175.3 | -54.6 | -56.7 | -167.7 | -153.4 | -0 | 110.9 | D116 L117 Y171 D403 | D116-R169 IonicContact OD1-NH2 3.96Å; D116-R169 PolarHBondContact OD1-NH2 2.72Å; D116-R169 IonicContact OD2-NH2 3.65Å; D116-R169 PolarHBondContact OD2-NH2 3.14Å; L117-R169 HydrophobicContact CD1-CG 4.32Å; R169-Y171 HydrophobicContact CB-CE2 4.23Å; R169-D403 IonicContact NH1-OD1 2.99Å; R169-D403 PolarHBondContact NH1-OD1 3.36Å; R169-D403 VanDerWaalsContact NH1-OD1 3.1Å |
| 170 | Y | 76.4 | Confident | 80 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 121.4 | 170.1 | 175.3 | -91 | 0 | 0 | 0 | 110.1 | P172 T373 E374 D403 V404 G405 | Y170-P172 HydrophobicContact CD1-CG 4.46Å; Y170-P172 HydrophobicContact CE1-CG 4.26Å; Y170-T373 WeakPolarHBondContact CD1-O 3.28Å; Y170-T373 VanDerWaalsContact CE1-N 3.34Å; Y170-E374 HydrophobicContact CE1-CG 4.46Å; Y170-E374 WeakPolarHBondContact CE1-OE1 3.13Å; Y170-E374 PolarHBondContact OH-OE1 2.91Å; Y170-D403 WeakPolarHBondContact CA-O 2.81Å; Y170-D403 WeakPolarHBondContact CB-O 3.48Å; Y170-D403 PolarHBondContact N-O 3.47Å; Y170-V404 CarbonylContact O-C 3.52Å; Y170-V404 WeakPolarHBondContact O-CA 3.42Å; Y170-G405 PolarHBondContact O-N 2.99Å |
| 171 | Y | 78.9 | Confident | 79.6 | Confident | 73 Ų | 73 | 57.5 Ų | 57.5 | 29% | 0.286 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -96 | 120.9 | 173.6 | -69.2 | -89.1 | 0 | 0 | 0 | 110.3 | R169 G405 | R169-Y171 HydrophobicContact CB-CE2 4.23Å; Y171-G405 WeakPolarHBondContact CE1-O 3.32Å |
| 172 | P | 77.3 | Confident | 79 | Confident | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 153.1 | 174.2 | -33.3 | 42.2 | 0 | 0 | 0 | 113.9 | Y170 E174 E374 N406 | Y170-P172 HydrophobicContact CD1-CG 4.46Å; Y170-P172 HydrophobicContact CE1-CG 4.26Å; P172-E174 VanDerWaalsContact C-N 3.3Å; P172-E174 PolarHBondContact O-N 2.91Å; P172-E374 WeakPolarHBondContact CB-OE2 3.36Å; P172-N406 HydrophobicContact CG-CB 4.37Å; P172-N406 WeakPolarHBondContact CG-OD1 3.39Å |
| 173 | K | 76.4 | Confident | 78.2 | Confident | 190 Ų | 190 | 60.9 Ų | 60.9 | 83% | 0.826 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -65.5 | -34.3 | 178.3 | -66.6 | 178.9 | -177.7 | 172 | 0 | 113 | ||
| 174 | E | 75.1 | Confident | 77.6 | Confident | 132 Ų | 132 | 60.4 Ų | 60.4 | 62% | 0.617 | 30% | 0.297 | S | S | * | . | trans | -109.1 | 116.5 | 177.3 | -67.4 | -175.1 | -173.5 | 0 | 0 | 109.2 | P172 K176 | P172-E174 VanDerWaalsContact C-N 3.3Å; P172-E174 PolarHBondContact O-N 2.91Å; E174-K176 IonicContact OE2-NZ 2.69Å | ||
| 175 | K | 75.9 | Confident | 76.3 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 33% | 0.326 | 31% | 0.312 | S | S | . | . | trans | -95.5 | 141 | 164.4 | -62.1 | -174 | 175.9 | -170.1 | 0 | 109.2 | H177 D179 | K175-H177 WeakPolarHBondContact CB-O 3.39Å; K175-D179 IonicContact NZ-OD1 3.93Å; K175-D179 PolarHBondContact NZ-OD1 2.67Å; K175-D179 IonicContact NZ-OD2 3.72Å; K175-D179 PolarHBondContact NZ-OD2 2.7Å | ||
| 176 | K | 75.1 | Confident | 75.1 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 38% | 0.383 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -78.6 | -26.7 | 173.9 | -61.7 | -57.4 | 178.2 | -158 | 0 | 112 | E174 E409 L586 | E174-K176 IonicContact OE2-NZ 2.69Å; K176-E409 WeakPolarHBondContact CA-OE1 3.25Å; K176-E409 HydrophobicContact CB-CG 4.45Å; K176-E409 WeakPolarHBondContact CB-OE1 3.44Å; K176-E409 PolarHBondContact N-OE1 3.17Å; K176-L586 HydrophobicContact CB-CD2 4.28Å; K176-L586 HydrophobicContact CG-CD2 4.25Å |
| 177 | H | 72.9 | Confident | 73.9 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 28% | 0.282 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -132.9 | 152 | 177.8 | -55.3 | -66.3 | 0 | 0 | 0 | 110.9 | K175 Q585 | K175-H177 WeakPolarHBondContact CB-O 3.39Å; H177-Q585 PolarHBondContact CE1-O 2.87Å; H177-Q585 PolarHBondContact NE2-O 3.15Å |
| 178 | S | 76.2 | Confident | 72.4 | Confident | 109 Ų | 109 | 65.8 Ų | 65.8 | 76% | 0.762 | 33% | 0.328 | S | S | * | . | trans | -77.6 | 144.7 | 172.6 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | E180 | S178-E180 PolarHBondContact O-N 3.36Š| ||
| 179 | D | 82.8 | Confident | 71.3 | Confident | 55 Ų | 55 | 65.8 Ų | 65.8 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | trans | -59.9 | 128 | 170.7 | -49.1 | -21.9 | 0 | 0 | 0 | 108.9 | H113 K175 | H113-D179 IonicContact CD2-OD1 2.71Å; H113-D179 IonicContact NE2-OD1 3.24Å; H113-D179 PolarHBondContact NE2-OD1 3.31Å; K175-D179 IonicContact NZ-OD1 3.93Å; K175-D179 PolarHBondContact NZ-OD1 2.67Å; K175-D179 IonicContact NZ-OD2 3.72Å; K175-D179 PolarHBondContact NZ-OD2 2.7Å | ||
| 180 | E | 87.4 | Confident | 69.7 | Low | 95 Ų | 95 | 67.1 Ų | 67.1 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -83.1 | -31.3 | 174.5 | -174.2 | -178.5 | 158.8 | 0 | 0 | 111.1 | E112 S178 R601 | E112-E180 PolarHBondContact OE1-N 3.47Å; E112-E180 VanDerWaalsContact OE1-N 3.09Å; E112-E180 PolarHBondContact OE2-N 3.39Å; S178-E180 PolarHBondContact O-N 3.36Å; E180-R601 IonicContact OE1-CZ 3.6Å; E180-R601 VanDerWaalsContact OE1-CZ 3.22Å; E180-R601 IonicContact OE1-NH1 2.75Å; E180-R601 PolarHBondContact OE1-NH1 3.43Å; E180-R601 IonicContact OE1-NH2 2.67Å; E180-R601 PolarHBondContact OE1-NH2 3.42Å; E180-R601 IonicContact OE2-CZ 2.64Å; E180-R601 IonicContact OE2-NH1 2.89Å; E180-R601 PolarHBondContact OE2-NH1 2.93Å; E180-R601 IonicContact OE2-NH2 2.66Å |
| 181 | F | 87.7 | Confident | 68.5 | Low | 28 Ų | 28 | 64.9 Ų | 64.9 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -118.4 | 164.5 | -176.2 | -54 | -66.7 | 0 | 0 | 0 | 111.4 | R88 E112 P183 F617 | R88-F181 HydrophobicContact CB-CD1 4.31Å; R88-F181 HydrophobicContact CB-CE1 3.66Å; R88-F181 HydrophobicContact CB-CZ 3.84Å; R88-F181 VanDerWaalsContact CD-CD1 3.49Å; R88-F181 HydrophobicContact CG-CD1 3.67Å; R88-F181 HydrophobicContact CG-CE1 3.55Å; R88-F181 HydrophobicContact CG-CG 4.25Å; R88-F181 HydrophobicContact CG-CZ 4.04Å; E112-F181 HydrophobicContact CB-CD2 4.42Å; E112-F181 HydrophobicContact CG-CD2 4.06Å; E112-F181 PolarHBondContact OE2-N 2.8Å; F181-P183 WeakPolarHBondContact O-CD 3.49Å; F181-F617 HydrophobicContact CE2-CD1 4.47Å |
| 182 | E | 81.2 | Confident | 67.2 | Low | 71 Ų | 71 | 65.4 Ų | 65.4 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | trans | -65.5 | 120.9 | 176 | 177.1 | 165.5 | -151 | 0 | 0 | 110.1 | K637 | E182-K637 WeakPolarHBondContact OE1-CE 3.29Å; E182-K637 IonicContact OE1-NZ 3.1Å; E182-K637 PolarHBondContact OE1-NZ 2.94Å; E182-K637 WeakPolarHBondContact OE2-CE 2.74Å; E182-K637 IonicContact OE2-NZ 4Å; E182-K637 PolarHBondContact OE2-NZ 2.79Å | ||
| 183 | P | 76.6 | Confident | 66.3 | Low | 29 Ų | 29 | 67.2 Ų | 67.2 | 19% | 0.188 | 35% | 0.353 | C | S | . | . | trans | -62.1 | 155.2 | 175.7 | 26.8 | -35.1 | 0 | 0 | 0 | 110.1 | F181 T185 | F181-P183 WeakPolarHBondContact O-CD 3.49Å; P183-T185 HydrophobicContact CB-CG2 4.04Å; P183-T185 HydrophobicContact CG-CG2 3.57Å; P183-T185 PolarHBondContact O-N 3.17Å; P183-T185 PolarHBondContact O-OG1 3.26Å | ||
| 184 | F | 77.6 | Confident | 65.8 | Low | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | trans | -76.9 | 63 | 168.4 | -58.5 | -8.7 | 0 | 0 | 0 | 108.7 | V61 E109 D111 L117 K119 D186 | V61-F184 HydrophobicContact CG1-CD2 4.17Å; E109-F184 HydrophobicContact CB-CE1 4.4Å; E109-F184 HydrophobicContact CB-CZ 4.05Å; D111-F184 VanDerWaalsContact CA-CE2 3.45Å; D111-F184 HydrophobicContact CB-CD2 3.61Å; D111-F184 HydrophobicContact CB-CE2 3.49Å; D111-F184 VanDerWaalsContact CB-CE2 3.49Å; D111-F184 HydrophobicContact CB-CG 4.29Å; D111-F184 HydrophobicContact CB-CZ 4.07Å; D111-F184 VanDerWaalsContact N-CE2 3.27Å; D111-F184 WeakPolarHBondContact OD2-CG 3.2Å; D111-F184 PolarHBondContact OD2-N 3.09Å; L117-F184 HydrophobicContact CB-CD2 4.17Å; L117-F184 HydrophobicContact CB-CE2 4.4Å; K119-F184 HydrophobicContact CB-CD1 4.14Å; K119-F184 HydrophobicContact CB-CD2 4.14Å; K119-F184 HydrophobicContact CB-CE1 3.67Å; K119-F184 HydrophobicContact CB-CE2 3.66Å; K119-F184 HydrophobicContact CB-CG 4.38Å; K119-F184 HydrophobicContact CB-CZ 3.42Å; K119-F184 VanDerWaalsContact CB-CZ 3.42Å; K119-F184 HydrophobicContact CD-CD1 3.97Å; K119-F184 HydrophobicContact CD-CE1 4.05Å; K119-F184 HydrophobicContact CG-CE1 4.5Å; F184-D186 PolarHBondContact O-N 3.42Å | ||
| 185 | T | 54.2 | Low | 65.8 | Low | 67 Ų | 67 | 55.5 Ų | 55.5 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | trans | -66.3 | -1.6 | -169.9 | 16.3 | 0 | 0 | 0 | 0 | 114.9 | P183 | P183-T185 HydrophobicContact CB-CG2 4.04Å; P183-T185 HydrophobicContact CG-CG2 3.57Å; P183-T185 PolarHBondContact O-N 3.17Å; P183-T185 PolarHBondContact O-OG1 3.26Å | ||
| 186 | D | 51.4 | Low | 66.1 | Low | 31 Ų | 31 | 56 Ų | 56 | 17% | 0.166 | 31% | 0.314 | C | S | . | . | trans | -144.7 | 75.5 | -147.9 | -75.6 | -37.8 | 0 | 0 | 0 | 110.1 | F184 T639 V640 | F184-D186 PolarHBondContact O-N 3.42Å; D186-T639 WeakPolarHBondContact OD1-CG2 3.17Å; D186-T639 VanDerWaalsContact OD2-CA 3.28Å; D186-T639 WeakPolarHBondContact OD2-CA 3.47Å; D186-T639 WeakPolarHBondContact OD2-CG2 3.28Å; D186-V640 VanDerWaalsContact C-CB 3.45Å; D186-V640 HydrophobicContact CB-CB 3.48Å; D186-V640 VanDerWaalsContact CB-CB 3.48Å; D186-V640 HydrophobicContact CB-CG2 3.72Å; D186-V640 VanDerWaalsContact CB-N 3.34Å; D186-V640 WeakPolarHBondContact O-CB 3.5Å; D186-V640 WeakPolarHBondContact O-CG2 3.49Å; D186-V640 PolarHBondContact OD1-N 2.82Å | ||
| 187 | L | 46.3 | Very low | 66.7 | Low | 55 Ų | 55 | 53 Ų | 53 | 29% | 0.288 | 30% | 0.301 | S | S | . | . | trans | -113.7 | 97 | 177.3 | -65.2 | 175.4 | 0 | 0 | 0 | 111.5 | V61 I166 | V61-L187 HydrophobicContact CB-CD2 3.36Å; V61-L187 HydrophobicContact CG1-CD2 3.45Å; V61-L187 VanDerWaalsContact CG1-CD2 3.45Å; V61-L187 HydrophobicContact CG2-CD2 3.72Å; I166-L187 HydrophobicContact CG2-CD1 3.77Å | ||
| 188 | V | 43.2 | Very low | 67.7 | Low | 48 Ų | 48 | 52.1 Ų | 52.1 | 29% | 0.291 | 30% | 0.302 | S | S | . | . | trans | -172.7 | 116.7 | 160.2 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | V640 P641 M643 | V188-V640 VanDerWaalsContact C-CG1 3.47Å; V188-V640 HydrophobicContact CB-CG1 3.83Å; V188-V640 WeakPolarHBondContact O-CG1 3.46Å; V188-P641 VanDerWaalsContact CG2-O 3.29Å; V188-P641 WeakPolarHBondContact CG2-O 3.43Å; V188-M643 HydrophobicContact CG2-CG 3.63Å; V188-M643 HydrophobicContact CG2-SD 4.39Å | ||
| 189 | L | 46.4 | Very low | 68.7 | Low | 65 Ų | 65 | 47 Ų | 47 | 34% | 0.34 | 27% | 0.266 | S | S | . | . | trans | -164.6 | 130.9 | 130.1 | -169.3 | 63 | 0 | 0 | 0 | 110.4 | H12 V16 N23 N191 | H12-L189 CarbonylContact O-C 3.49Å; V16-L189 HydrophobicContact CG2-CB 4.05Å; V16-L189 HydrophobicContact CG2-CD2 4.28Å; N23-L189 HydrophobicContact CB-CD2 4.06Å; L189-N191 PolarHBondContact O-N 2.85Å | ||
| 190 | V | 45.8 | Very low | 69.4 | Low | 55 Ų | 55 | 47.7 Ų | 47.7 | 33% | 0.333 | 27% | 0.268 | S | S | . | . | trans | -56.6 | 127.1 | 172.7 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | K11 N23 S192 | K11-V190 HydrophobicContact CB-CG2 4.22Å; K11-V190 HydrophobicContact CD-CG2 4.4Å; K11-V190 HydrophobicContact CG-CG2 4.28Å; N23-V190 PolarHBondContact ND2-O 3.37Å; V190-S192 PolarHBondContact O-N 3.15Å | ||
| 191 | N | 50.5 | Low | 69.8 | Low | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | trans | -55.6 | 105.3 | 160.7 | -167.7 | 5.4 | 0 | 0 | 0 | 109.2 | N23 L26 L189 V193 Y195 | N23-N191 VanDerWaalsContact ND2-CA 3.27Å; N23-N191 WeakPolarHBondContact ND2-CA 3.25Å; L26-N191 WeakPolarHBondContact CB-ND2 3.43Å; L26-N191 PolarHBondContact O-ND2 2.98Å; L189-N191 PolarHBondContact O-N 2.85Å; N191-V193 PolarHBondContact ND2-O 2.93Å; N191-V193 PolarHBondContact O-N 2.89Å; N191-V193 VanDerWaalsContact O-N 3.15Å; N191-V193 PolarHBondContact OD1-N 3.24Å; N191-V193 PolarHBondContact OD1-O 2.9Å; N191-Y195 HydrophobicContact CB-CD1 4.19Å; N191-Y195 HydrophobicContact CB-CE1 4.08Å; N191-Y195 WeakPolarHBondContact ND2-CD1 3.4Å | ||
| 192 | S | 50.6 | Low | 70.1 | Confident | 85 Ų | 85 | 44.8 Ų | 44.8 | 59% | 0.594 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -66.5 | -14.1 | -178 | 61 | 0 | 0 | 0 | 0 | 112.8 | V190 | V190-S192 PolarHBondContact O-N 3.15Š|
| 193 | V | 59.9 | Low | 70.7 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -115.5 | 132.7 | -178.7 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | P25 N191 | P25-V193 HydrophobicContact CB-CB 3.94Å; P25-V193 HydrophobicContact CB-CG1 4.46Å; P25-V193 HydrophobicContact CB-CG2 3.7Å; P25-V193 HydrophobicContact CG-CB 4.48Å; P25-V193 HydrophobicContact CG-CG2 3.69Å; N191-V193 PolarHBondContact ND2-O 2.93Å; N191-V193 PolarHBondContact O-N 2.89Å; N191-V193 VanDerWaalsContact O-N 3.15Å; N191-V193 PolarHBondContact OD1-N 3.24Å; N191-V193 PolarHBondContact OD1-O 2.9Å |
| 194 | P | 65.9 | Low | 71.4 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 31% | 0.312 | 24% | 0.236 | S | C | . | . | trans | -56.1 | 140.9 | 170.5 | -24.3 | 34 | 0 | 0 | 0 | 111.5 | N2 | N2-P194 HydrophobicContact CB-CG 4.39Š| ||
| 195 | Y | 73.6 | Confident | 72.1 | Confident | 28 Ų | 28 | 41 Ų | 41 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | trans | -137 | 158.7 | 177.6 | 68.2 | -80.1 | 0 | 0 | 0 | 109.8 | L26 K27 V29 N191 I197 P240 | L26-Y195 HydrophobicContact CD2-CD1 4.46Å; L26-Y195 HydrophobicContact CD2-CD2 3.54Å; L26-Y195 HydrophobicContact CD2-CE1 4.43Å; L26-Y195 HydrophobicContact CD2-CE2 3.51Å; L26-Y195 HydrophobicContact CD2-CG 4.01Å; L26-Y195 HydrophobicContact CG-CD2 3.92Å; L26-Y195 HydrophobicContact CG-CE2 4.39Å; L26-Y195 HydrophobicContact CG-CG 4.09Å; L26-Y195 VanDerWaalsContact O-CB 3.23Å; L26-Y195 WeakPolarHBondContact O-CB 3.24Å; K27-Y195 WeakPolarHBondContact O-CA 3.38Å; K27-Y195 WeakPolarHBondContact O-CB 3.47Å; V29-Y195 HydrophobicContact CG2-CD2 4.19Å; V29-Y195 HydrophobicContact CG2-CE2 4.11Å; N191-Y195 HydrophobicContact CB-CD1 4.19Å; N191-Y195 HydrophobicContact CB-CE1 4.08Å; N191-Y195 WeakPolarHBondContact ND2-CD1 3.4Å; Y195-I197 HydrophobicContact CD2-CG1 4.02Å; Y195-I197 HydrophobicContact CE2-CD1 3.69Å; Y195-I197 HydrophobicContact CE2-CG1 3.61Å; Y195-P240 VanDerWaalsContact OH-CG 3.28Å; Y195-P240 WeakPolarHBondContact OH-CG 3.31Å | ||
| 196 | T | 83.1 | Confident | 73.9 | Confident | 85 Ų | 85 | 39.9 Ų | 39.9 | 52% | 0.521 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.2 | -178.5 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | K27 S28 V29 | K27-T196 PolarHBondContact O-N 2.85Å; S28-T196 CarbonylContact C-O 3.58Å; S28-T196 VanDerWaalsContact CA-O 3.26Å; S28-T196 WeakPolarHBondContact CA-O 3.32Å; V29-T196 PolarHBondContact N-O 3.49Å |
| 197 | I | 88 | Confident | 75.8 | Confident | 24 Ų | 24 | 38.7 Ų | 38.7 | 12% | 0.123 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.8 | 167.7 | -59.5 | 172.6 | 0 | 0 | 0 | 107.7 | V29 I31 Y195 F238 P240 | V29-I197 HydrophobicContact CB-CG1 4.06Å; V29-I197 HydrophobicContact CB-CG2 4.41Å; V29-I197 HydrophobicContact CG2-CG1 4.18Å; V29-I197 WeakPolarHBondContact O-CA 3.26Å; I31-I197 HydrophobicContact CD1-CG2 4.1Å; Y195-I197 HydrophobicContact CD2-CG1 4.02Å; Y195-I197 HydrophobicContact CE2-CD1 3.69Å; Y195-I197 HydrophobicContact CE2-CG1 3.61Å; I197-F238 HydrophobicContact CB-CB 4.4Å; I197-F238 HydrophobicContact CB-CD1 3.93Å; I197-F238 HydrophobicContact CD1-CD1 3.57Å; I197-F238 HydrophobicContact CD1-CE1 3.9Å; I197-F238 HydrophobicContact CG1-CD1 4.32Å; I197-F238 HydrophobicContact CG2-CD1 3.84Å; I197-P240 HydrophobicContact CD1-CB 4.1Å; I197-P240 HydrophobicContact CD1-CG 3.95Å |
| 198 | S | 94.6 | Very high | 78 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 143 | 173.9 | 62.8 | 0 | 0 | 0 | 0 | 110.1 | V29 I31 | V29-S198 PolarHBondContact O-N 2.92Å; V29-S198 PolarHBondContact O-OG 3.27Å; I31-S198 PolarHBondContact N-O 3Å |
| 199 | F | 96.7 | Very high | 80.3 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 129.1 | 178.7 | 172 | -88.4 | 0 | 0 | 0 | 110.6 | I31 C33 L160 L162 F219 L234 L244 M246 | I31-F199 HydrophobicContact CB-CB 4.44Å; I31-F199 HydrophobicContact CB-CD2 3.94Å; I31-F199 HydrophobicContact CG2-CD2 3.63Å; I31-F199 HydrophobicContact CG2-CE2 4.11Å; I31-F199 WeakPolarHBondContact O-CA 3.36Å; C33-F199 HydrophobicContact CB-CE2 3.85Å; C33-F199 HydrophobicContact CB-CZ 4.15Å; L160-F199 HydrophobicContact CD2-CE2 3.95Å; L160-F199 HydrophobicContact CD2-CZ 3.68Å; L162-F199 HydrophobicContact CD1-CD2 4.03Å; L162-F199 HydrophobicContact CD1-CE2 3.75Å; F199-F219 HydrophobicContact CD1-CD1 4.47Å; F199-F219 AromaticContact CD1-CE1 3.75Å; F199-F219 HydrophobicContact CD1-CE1 3.75Å; F199-F219 AromaticContact CE1-CE1 3.89Å; F199-F219 HydrophobicContact CE1-CE1 3.89Å; F199-L234 HydrophobicContact CB-CB 3.88Å; F199-L234 HydrophobicContact CB-CD2 4.31Å; F199-L234 HydrophobicContact CD1-CB 4.3Å; F199-L234 PolarHBondContact O-N 3.07Å; F199-L244 HydrophobicContact CB-CD2 3.88Å; F199-L244 HydrophobicContact CD1-CD2 4.46Å; F199-L244 HydrophobicContact CD2-CD2 3.71Å; F199-L244 HydrophobicContact CE2-CD2 4.37Å; F199-L244 HydrophobicContact CG-CD2 3.76Å; F199-M246 HydrophobicContact CE1-SD 4.08Å; F199-M246 HydrophobicContact CZ-CE 4.39Å; F199-M246 HydrophobicContact CZ-SD 4.47Å |
| 200 | E | 97 | Very high | 82.4 | Confident | 69 Ų | 69 | 38.4 Ų | 38.4 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.5 | 172.6 | -67 | -179.5 | 175.2 | 0 | 0 | 109.4 | I31 K32 C33 V232 K233 | I31-E200 PolarHBondContact O-N 3.13Å; K32-E200 CarbonylContact C-O 3.59Å; K32-E200 VanDerWaalsContact CA-O 3.32Å; K32-E200 WeakPolarHBondContact CA-O 3.34Å; C33-E200 PolarHBondContact N-O 3.44Å; E200-V232 CarbonylContact C-O 3.23Å; E200-V232 WeakPolarHBondContact CA-O 3.43Å; E200-K233 HydrophobicContact CG-CB 4.33Å; E200-K233 HydrophobicContact CG-CD 4.11Å; E200-K233 HydrophobicContact CG-CG 4Å; E200-K233 WeakPolarHBondContact OE1-CE 3.41Å; E200-K233 IonicContact OE1-NZ 3.65Å; E200-K233 PolarHBondContact OE1-NZ 3.2Å |
| 201 | S | 95.7 | Very high | 84.6 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.3 | 177.8 | -171.7 | 0 | 0 | 0 | 0 | 113.4 | C33 L203 L231 V232 | C33-S201 CarbonylContact O-C 3.56Å; C33-S201 WeakPolarHBondContact O-CA 3.46Å; C33-S201 WeakPolarHBondContact O-CB 3.34Å; C33-S201 PolarHBondContact O-OG 3.18Å; S201-L203 VanDerWaalsContact OG-CD2 3.29Å; S201-L203 WeakPolarHBondContact OG-CD2 3.3Å; S201-L231 WeakPolarHBondContact O-CA 3.25Å; S201-V232 PolarHBondContact N-O 2.91Å; S201-V232 PolarHBondContact O-N 3.34Å |
| 202 | E | 93.8 | Very high | 86.7 | Confident | 58 Ų | 58 | 38.4 Ų | 38.4 | 27% | 0.271 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.2 | 170.1 | -169 | 174.2 | -164.1 | 0 | 0 | 109.3 | C33 R34 I35 W204 H229 L231 | C33-E202 PolarHBondContact O-N 3.34Å; R34-E202 WeakPolarHBondContact CA-O 3.25Å; R34-E202 HydrophobicContact CG-CB 4.47Å; I35-E202 PolarHBondContact N-O 2.85Å; E202-W204 HydrophobicContact CB-CH2 3.9Å; E202-W204 HydrophobicContact CB-CZ3 3.87Å; E202-W204 HydrophobicContact CG-CE3 4.3Å; E202-W204 HydrophobicContact CG-CH2 3.28Å; E202-W204 HydrophobicContact CG-CZ2 3.64Å; E202-W204 HydrophobicContact CG-CZ3 3.61Å; E202-W204 WeakPolarHBondContact O-CZ3 3.45Å; E202-W204 VanDerWaalsContact OE1-CZ2 3.27Å; E202-W204 WeakPolarHBondContact OE1-CZ2 3.4Å; E202-W204 WeakPolarHBondContact OE2-CH2 3.16Å; E202-H229 VanDerWaalsContact CG-NE2 3.3Å; E202-H229 WeakPolarHBondContact CG-NE2 3.43Å; E202-H229 IonicContact OE1-CD2 3.62Å; E202-H229 IonicContact OE1-CE1 3.7Å; E202-H229 IonicContact OE1-NE2 3.91Å; E202-H229 PolarHBondContact OE1-NE2 3.02Å; E202-L231 HydrophobicContact CB-CD2 3.86Å; E202-L231 HydrophobicContact CG-CD2 3.74Å |
| 203 | L | 93.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.3 | -169.7 | -53.4 | -176.4 | 0 | 0 | 0 | 111 | I35 S201 M205 I209 H229 S230 V232 M246 L248 | I35-L203 HydrophobicContact CB-CD2 3.74Å; I35-L203 HydrophobicContact CD1-CD2 3.55Å; I35-L203 HydrophobicContact CG1-CD2 3.82Å; I35-L203 CarbonylContact O-C 3.58Å; S201-L203 VanDerWaalsContact OG-CD2 3.29Å; S201-L203 WeakPolarHBondContact OG-CD2 3.3Å; L203-M205 HydrophobicContact CB-CE 3.99Å; L203-M205 HydrophobicContact CB-CG 4.41Å; L203-M205 HydrophobicContact CD2-CE 4.42Å; L203-I209 HydrophobicContact CB-CD1 4.16Å; L203-I209 HydrophobicContact CD1-CD1 3.69Å; L203-H229 WeakPolarHBondContact O-CA 3.34Å; L203-H229 PolarHBondContact O-CD2 3.16Å; L203-S230 PolarHBondContact N-O 3.42Å; L203-S230 PolarHBondContact O-N 3.22Å; L203-V232 HydrophobicContact CD1-CG2 3.4Å; L203-V232 HydrophobicContact CG-CG2 4.05Å; L203-M246 HydrophobicContact CD2-CE 4.35Å; L203-L248 HydrophobicContact CD1-CD1 3.78Å; L203-L248 HydrophobicContact CD1-CD2 3.76Å; L203-L248 HydrophobicContact CD1-CG 4.46Å; L203-L248 HydrophobicContact CD2-CD1 4.19Å |
| 204 | W | 91.8 | Very high | 90.3 | Very high | 31 Ų | 31 | 37.3 Ų | 37.3 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 95.2 | 166 | -64 | -91.9 | 0 | 0 | 0 | 109.2 | R34 I35 I36 N37 E202 N228 H229 K556 | R34-W204 HydrophobicContact CB-CZ3 3.95Å; R34-W204 HydrophobicContact CG-CH2 4.35Å; R34-W204 HydrophobicContact CG-CZ3 4.03Å; I35-W204 PolarHBondContact O-N 3.37Å; I36-W204 HydrophobicContact CD1-CE3 4.41Å; I36-W204 HydrophobicContact CG1-CB 4.33Å; I36-W204 HydrophobicContact CG1-CD2 4.18Å; I36-W204 HydrophobicContact CG1-CE3 3.61Å; I36-W204 HydrophobicContact CG1-CZ3 4.21Å; I36-W204 HydrophobicContact CG2-CB 4.49Å; N37-W204 PolarHBondContact N-O 3.08Å; E202-W204 HydrophobicContact CB-CH2 3.9Å; E202-W204 HydrophobicContact CB-CZ3 3.87Å; E202-W204 HydrophobicContact CG-CE3 4.3Å; E202-W204 HydrophobicContact CG-CH2 3.28Å; E202-W204 HydrophobicContact CG-CZ2 3.64Å; E202-W204 HydrophobicContact CG-CZ3 3.61Å; E202-W204 WeakPolarHBondContact O-CZ3 3.45Å; E202-W204 VanDerWaalsContact OE1-CZ2 3.27Å; E202-W204 WeakPolarHBondContact OE1-CZ2 3.4Å; E202-W204 WeakPolarHBondContact OE2-CH2 3.16Å; W204-N228 WeakPolarHBondContact CA-O 3.46Å; W204-H229 AromaticContact CD1-CD2 3.75Å; W204-H229 AromaticContact CE2-CD2 3.58Å; W204-H229 AromaticContact CE2-NE2 3.92Å; W204-H229 AromaticContact CZ2-NE2 3.96Å; W204-H229 AromaticContact NE1-CD2 3.31Å; W204-H229 PolarHBondContact NE1-CD2 3.04Å; W204-H229 VanDerWaalsContact NE1-CD2 3.31Å; W204-H229 AromaticContact NE1-NE2 3.91Å; W204-K556 HydrophobicContact CZ2-CB 4.47Å |
| 205 | M | 92.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | trans | -93.1 | 161.2 | -172 | -64.5 | -58.5 | 98.6 | 0 | 0 | 112.4 | I35 I158 L203 S207 I209 N228 L248 L250 | I35-M205 HydrophobicContact CB-CE 3.91Å; I35-M205 HydrophobicContact CG2-CE 3.42Å; I35-M205 VanDerWaalsContact CG2-CE 3.42Å; I158-M205 HydrophobicContact CD1-SD 3.78Å; L203-M205 HydrophobicContact CB-CE 3.99Å; L203-M205 HydrophobicContact CB-CG 4.41Å; L203-M205 HydrophobicContact CD2-CE 4.42Å; M205-S207 VanDerWaalsContact C-N 3.3Å; M205-S207 WeakPolarHBondContact CB-O 3.47Å; M205-S207 PolarHBondContact O-N 3.34Å; M205-I209 HydrophobicContact CB-CG1 4.3Å; M205-I209 HydrophobicContact CG-CD1 3.75Å; M205-I209 HydrophobicContact CG-CG1 3.7Å; M205-N228 HydrophobicContact CB-CB 4.44Å; M205-N228 PolarHBondContact N-O 3.43Å; M205-N228 WeakPolarHBondContact O-CB 3.49Å; M205-N228 PolarHBondContact O-ND2 3.08Å; M205-L248 HydrophobicContact SD-CD1 3.81Å; M205-L250 HydrophobicContact CB-CD1 4.35Å; M205-L250 HydrophobicContact CB-CD2 4.03Å; M205-L250 HydrophobicContact CG-CD2 3.89Å; M205-L250 HydrophobicContact SD-CD2 4.39Å | ||
| 206 | P | 90.9 | Very high | 92.1 | Very high | 42 Ų | 42 | 41.8 Ų | 41.8 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -69.4 | -26.5 | 173.8 | 25.8 | -33.7 | 0 | 0 | 0 | 113.2 | N228 L250 L254 L257 | P206-N228 VanDerWaalsContact C-ND2 3.29Å; P206-N228 PolarHBondContact O-ND2 3.15Å; P206-L250 HydrophobicContact CG-CD1 3.87Å; P206-L254 HydrophobicContact CG-CD2 3.87Å; P206-L257 HydrophobicContact CB-CD2 3.97Å |
| 207 | S | 91.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -144.5 | -179.1 | 179 | 60.4 | 0 | 0 | 0 | 0 | 111.6 | M205 I209 N228 L250 D252 | M205-S207 VanDerWaalsContact C-N 3.3Å; M205-S207 WeakPolarHBondContact CB-O 3.47Å; M205-S207 PolarHBondContact O-N 3.34Å; S207-I209 PolarHBondContact O-N 2.98Å; S207-N228 PolarHBondContact O-OD1 3.15Å; S207-L250 WeakPolarHBondContact OG-CB 3.47Å; S207-D252 WeakPolarHBondContact CB-OD2 3.3Å |
| 208 | K | 91.8 | Very high | 92.9 | Very high | 79 Ų | 79 | 40.5 Ų | 40.5 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | trans | -66 | 132.2 | -174.4 | 175.9 | 174 | 173.4 | 170.7 | 0 | 110.8 | L210 D226 N228 L250 S251 | K208-L210 PolarHBondContact O-N 3.18Å; K208-D226 VanDerWaalsContact CE-OD1 3.25Å; K208-D226 WeakPolarHBondContact CE-OD1 3.34Å; K208-D226 IonicContact NZ-OD1 3.71Å; K208-D226 PolarHBondContact NZ-OD1 3.49Å; K208-D226 IonicContact NZ-OD2 2.69Å; K208-N228 PolarHBondContact N-OD1 2.84Å; K208-L250 CarbonylContact O-C 3.53Å; K208-L250 WeakPolarHBondContact O-CA 3.23Å; K208-S251 PolarHBondContact N-OG 3.45Å; K208-S251 PolarHBondContact O-N 3.2Å | ||
| 209 | I | 92 | Very high | 92.9 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.046 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 123 | 172.6 | -60.7 | 160.3 | 0 | 0 | 0 | 108.7 | L203 M205 S207 V212 L250 | L203-I209 HydrophobicContact CB-CD1 4.16Å; L203-I209 HydrophobicContact CD1-CD1 3.69Å; M205-I209 HydrophobicContact CB-CG1 4.3Å; M205-I209 HydrophobicContact CG-CD1 3.75Å; M205-I209 HydrophobicContact CG-CG1 3.7Å; S207-I209 PolarHBondContact O-N 2.98Å; I209-V212 HydrophobicContact CG2-CG2 4.02Å; I209-L250 HydrophobicContact CB-CD2 4.35Å; I209-L250 HydrophobicContact CG1-CD2 3.71Å |
| 210 | L | 91.2 | Very high | 92.8 | Very high | 74 Ų | 74 | 42.9 Ų | 42.9 | 39% | 0.387 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -39.7 | 175.7 | -64.5 | -178.6 | 0 | 0 | 0 | 112.2 | F153 K208 S249 | F153-L210 HydrophobicContact CE1-CD1 4.24Å; F153-L210 HydrophobicContact CZ-CD1 3.94Å; K208-L210 PolarHBondContact O-N 3.18Å; L210-S249 PolarHBondContact N-O 3.06Å |
| 211 | D | 92 | Very high | 92.5 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 32% | 0.321 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 151.8 | -172.2 | -170.3 | 31.2 | 0 | 0 | 0 | 111.5 | W221 L248 S249 | D211-W221 HydrophobicContact CB-CH2 4.49Å; D211-W221 WeakPolarHBondContact OD1-CH2 3.07Å; D211-L248 WeakPolarHBondContact O-CA 3.32Å; D211-S249 PolarHBondContact N-O 3.47Å; D211-S249 PolarHBondContact O-N 3.11Å |
| 212 | V | 94.5 | Very high | 92 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 111.9 | 170.7 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | I209 F219 W221 V232 M246 V247 L248 | I209-V212 HydrophobicContact CG2-CG2 4.02Å; V212-F219 HydrophobicContact CG1-CB 3.95Å; V212-F219 HydrophobicContact CG1-CD2 4.47Å; V212-F219 HydrophobicContact CG1-CG 4.17Å; V212-W221 HydrophobicContact CB-CD2 3.93Å; V212-W221 HydrophobicContact CB-CE3 3.34Å; V212-W221 HydrophobicContact CB-CH2 4.31Å; V212-W221 HydrophobicContact CB-CZ3 3.55Å; V212-W221 HydrophobicContact CG1-CE3 4.47Å; V212-W221 HydrophobicContact CG2-CB 4.26Å; V212-W221 HydrophobicContact CG2-CD2 3.51Å; V212-W221 HydrophobicContact CG2-CE3 3.51Å; V212-W221 HydrophobicContact CG2-CG 3.88Å; V212-W221 HydrophobicContact CG2-CH2 4.49Å; V212-W221 HydrophobicContact CG2-CZ3 4.01Å; V212-W221 VanDerWaalsContact N-CZ3 3.26Å; V212-W221 VanDerWaalsContact O-CZ3 3.27Å; V212-W221 WeakPolarHBondContact O-CZ3 3.47Å; V212-V232 HydrophobicContact CG1-CG1 3.99Å; V212-V232 HydrophobicContact CG2-CG2 4.17Å; V212-M246 HydrophobicContact CG1-CG 3.62Å; V212-M246 HydrophobicContact CG1-SD 3.89Å; V212-V247 WeakPolarHBondContact CA-O 3.06Å; V212-L248 HydrophobicContact CB-CD2 4.11Å; V212-L248 HydrophobicContact CG1-CD2 3.74Å; V212-L248 HydrophobicContact CG2-CD2 3.57Å |
| 213 | K | 92.5 | Very high | 90.9 | Very high | 82 Ų | 82 | 49 Ų | 49 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 164.3 | -172.9 | 66.9 | -171.5 | 177.3 | -172.2 | 0 | 112 | E157 V247 | E157-K213 WeakPolarHBondContact OE1-CE 3.39Å; E157-K213 IonicContact OE1-NZ 3.64Å; E157-K213 PolarHBondContact OE1-NZ 3.09Å; K213-V247 HydrophobicContact CG-CB 3.81Å; K213-V247 HydrophobicContact CG-CG1 4.22Å; K213-V247 PolarHBondContact N-O 2.86Å; K213-V247 PolarHBondContact O-N 2.68Å |
| 214 | S | 93.5 | Very high | 89.6 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | trans | -149.7 | 155.3 | 169.9 | 170.7 | 0 | 0 | 0 | 0 | 109.6 | H216 D217 Q245 | S214-H216 VanDerWaalsContact C-N 3.34Å; S214-H216 PolarHBondContact OG-N 3.27Å; S214-D217 WeakPolarHBondContact CB-O 3.34Å; S214-D217 PolarHBondContact OG-N 2.63Å; S214-D217 VanDerWaalsContact OG-N 3.17Å; S214-Q245 WeakPolarHBondContact CB-O 3.32Å; S214-Q245 PolarHBondContact OG-O 3Å | ||
| 215 | T | 88 | Confident | 88.1 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -68.8 | -35.8 | 176.7 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 216 | H | 87.9 | Confident | 86.5 | Confident | 97 Ų | 97 | 67 Ų | 67 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -120.6 | -24.5 | -170 | -55.7 | 108.9 | 0 | 0 | 0 | 113.2 | S214 H242 | S214-H216 VanDerWaalsContact C-N 3.34Å; S214-H216 PolarHBondContact OG-N 3.27Å; H216-H242 WeakPolarHBondContact CB-NE2 3.28Å; H216-H242 AromaticContact CG-CD2 3.84Å; H216-H242 AromaticContact CG-NE2 3.92Å; H216-H242 AromaticContact ND1-CD2 3.61Å |
| 217 | D | 93.4 | Very high | 85.4 | Confident | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.064 | 36% | 0.355 | C | S | . | . | trans | -112.5 | 162 | -173.5 | -64 | -62.5 | 0 | 0 | 0 | 113.4 | S214 F219 L234 F238 H242 L244 | S214-D217 WeakPolarHBondContact CB-O 3.34Å; S214-D217 PolarHBondContact OG-N 2.63Å; S214-D217 VanDerWaalsContact OG-N 3.17Å; D217-F219 HydrophobicContact CB-CE2 3.95Å; D217-F219 HydrophobicContact CB-CZ 4.43Å; D217-L234 HydrophobicContact CB-CD1 3.84Å; D217-F238 WeakPolarHBondContact OD1-CD2 3.33Å; D217-H242 IonicContact OD1-NE2 3.39Å; D217-H242 IonicContact OD2-NE2 2.76Å; D217-H242 PolarHBondContact OD2-NE2 3.5Å; D217-H242 VanDerWaalsContact OD2-NE2 3.15Å; D217-L244 HydrophobicContact CB-CD1 4.5Å; D217-L244 WeakPolarHBondContact OD2-CD1 3.46Å | ||
| 218 | S | 94.6 | Very high | 85.1 | Confident | 70 Ų | 70 | 69.8 Ų | 69.8 | 49% | 0.49 | 37% | 0.369 | S | S | . | . | trans | -113.6 | 134.9 | 174 | -64.8 | 0 | 0 | 0 | 0 | 111 | S235 S236 | S218-S235 VanDerWaalsContact C-OG 3.27Å; S218-S235 PolarHBondContact O-N 2.85Å; S218-S235 PolarHBondContact O-OG 2.79Å; S218-S236 PolarHBondContact N-OG 3.47Å; S218-S236 PolarHBondContact O-N 3.42Å; S218-S236 PolarHBondContact O-OG 2.84Å | ||
| 219 | F | 95.7 | Very high | 85 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 9% | 0.092 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 150 | 177 | -67 | -88.1 | 0 | 0 | 0 | 110.8 | F199 V212 D217 V232 K233 L234 L244 M246 | F199-F219 HydrophobicContact CD1-CD1 4.47Å; F199-F219 AromaticContact CD1-CE1 3.75Å; F199-F219 HydrophobicContact CD1-CE1 3.75Å; F199-F219 AromaticContact CE1-CE1 3.89Å; F199-F219 HydrophobicContact CE1-CE1 3.89Å; V212-F219 HydrophobicContact CG1-CB 3.95Å; V212-F219 HydrophobicContact CG1-CD2 4.47Å; V212-F219 HydrophobicContact CG1-CG 4.17Å; D217-F219 HydrophobicContact CB-CE2 3.95Å; D217-F219 HydrophobicContact CB-CZ 4.43Å; F219-V232 HydrophobicContact CB-CG1 4.02Å; F219-V232 HydrophobicContact CD1-CG1 3.69Å; F219-V232 HydrophobicContact CG-CG1 4.17Å; F219-K233 WeakPolarHBondContact CA-O 3.13Å; F219-L234 HydrophobicContact CD1-CB 4.26Å; F219-L234 HydrophobicContact CD1-CD1 4.37Å; F219-L234 HydrophobicContact CE1-CB 4.05Å; F219-L234 HydrophobicContact CE1-CD1 3.92Å; F219-L234 HydrophobicContact CE2-CD1 4.46Å; F219-L234 HydrophobicContact CZ-CD1 3.98Å; F219-L244 HydrophobicContact CZ-CD1 3.84Å; F219-M246 HydrophobicContact CD1-SD 4.37Å; F219-M246 HydrophobicContact CD2-CG 4.48Å; F219-M246 HydrophobicContact CE1-CB 4.35Å; F219-M246 HydrophobicContact CE1-CG 4.33Å; F219-M246 HydrophobicContact CE1-SD 4.25Å; F219-M246 HydrophobicContact CE2-CB 4.1Å; F219-M246 HydrophobicContact CE2-CG 4.26Å; F219-M246 HydrophobicContact CZ-CB 3.84Å; F219-M246 HydrophobicContact CZ-CG 4.16Å |
| 220 | T | 94 | Very high | 85 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 142 | 164.7 | 51 | 0 | 0 | 0 | 0 | 108.1 | V232 K233 | T220-V232 CarbonylContact O-C 3.59Å; T220-V232 WeakPolarHBondContact O-CA 3.44Å; T220-K233 PolarHBondContact N-O 3.46Å; T220-K233 PolarHBondContact O-N 3.41Å; T220-K233 PolarHBondContact OG1-O 2.93Å |
| 221 | W | 90.8 | Very high | 85.2 | Confident | 79 Ų | 79 | 67.4 Ų | 67.4 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.9 | 175.1 | 75.9 | 87.5 | 0 | 0 | 0 | 112.1 | D211 V212 L231 V232 | D211-W221 HydrophobicContact CB-CH2 4.49Å; D211-W221 WeakPolarHBondContact OD1-CH2 3.07Å; V212-W221 HydrophobicContact CB-CD2 3.93Å; V212-W221 HydrophobicContact CB-CE3 3.34Å; V212-W221 HydrophobicContact CB-CH2 4.31Å; V212-W221 HydrophobicContact CB-CZ3 3.55Å; V212-W221 HydrophobicContact CG1-CE3 4.47Å; V212-W221 HydrophobicContact CG2-CB 4.26Å; V212-W221 HydrophobicContact CG2-CD2 3.51Å; V212-W221 HydrophobicContact CG2-CE3 3.51Å; V212-W221 HydrophobicContact CG2-CG 3.88Å; V212-W221 HydrophobicContact CG2-CH2 4.49Å; V212-W221 HydrophobicContact CG2-CZ3 4.01Å; V212-W221 VanDerWaalsContact N-CZ3 3.26Å; V212-W221 VanDerWaalsContact O-CZ3 3.27Å; V212-W221 WeakPolarHBondContact O-CZ3 3.47Å; W221-L231 CarbonylContact C-O 3.56Å; W221-L231 WeakPolarHBondContact CA-O 3.26Å; W221-L231 WeakPolarHBondContact CB-O 3.15Å; W221-V232 HydrophobicContact CB-CB 4.34Å; W221-V232 HydrophobicContact CB-CG1 4.5Å; W221-V232 HydrophobicContact CB-CG2 3.77Å |
| 222 | N | 85.2 | Confident | 85.4 | Confident | 125 Ų | 125 | 64.7 Ų | 64.7 | 67% | 0.668 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 109.2 | 176.7 | -69 | -47.8 | 0 | 0 | 0 | 109.1 | S230 L231 | N222-S230 PolarHBondContact O-OG 3.26Å; N222-L231 PolarHBondContact N-O 2.7Å; N222-L231 PolarHBondContact O-N 3.25Å |
| 223 | C | 71 | Confident | 85.5 | Confident | 55 Ų | 55 | 69.1 Ų | 69.1 | 37% | 0.372 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 123.4 | 168.9 | -177 | 0 | 0 | 0 | 0 | 109.1 | ||
| 224 | K | 66.6 | Low | 85.6 | Confident | 128 Ų | 128 | 65.9 Ų | 65.9 | 56% | 0.557 | 35% | 0.35 | S | S | * | . | trans | -85.4 | 124.7 | 168.9 | -70.5 | -176.7 | -180 | 175.9 | 0 | 108.7 | D226 S227 | K224-D226 PolarHBondContact O-N 2.94Å; K224-S227 WeakPolarHBondContact O-CB 3.1Å; K224-S227 PolarHBondContact O-N 2.99Å; K224-S227 VanDerWaalsContact O-N 3.11Å; K224-S227 PolarHBondContact O-OG 2.92Å | ||
| 225 | N | 59.3 | Low | 85.7 | Confident | 165 Ų | 165 | 67.6 Ų | 67.6 | 88% | 0.882 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 34.6 | 63 | 167.8 | -70.1 | -5.5 | 0 | 0 | 0 | 116.5 | S227 | N225-S227 PolarHBondContact O-N 3.45Š|
| 226 | D | 59.2 | Low | 85.8 | Confident | 120 Ų | 120 | 65.9 Ų | 65.9 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 24.4 | 173.9 | -102.6 | -7.3 | 0 | 0 | 0 | 114.7 | K208 K224 | K208-D226 VanDerWaalsContact CE-OD1 3.25Å; K208-D226 WeakPolarHBondContact CE-OD1 3.34Å; K208-D226 IonicContact NZ-OD1 3.71Å; K208-D226 PolarHBondContact NZ-OD1 3.49Å; K208-D226 IonicContact NZ-OD2 2.69Å; K224-D226 PolarHBondContact O-N 2.94Å |
| 227 | S | 69.1 | Low | 85.8 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | trans | -88.4 | 153.2 | -179.5 | 68 | 0 | 0 | 0 | 0 | 110.8 | K224 N225 H229 | K224-S227 WeakPolarHBondContact O-CB 3.1Å; K224-S227 PolarHBondContact O-N 2.99Å; K224-S227 VanDerWaalsContact O-N 3.11Å; K224-S227 PolarHBondContact O-OG 2.92Å; N225-S227 PolarHBondContact O-N 3.45Å; S227-H229 PolarHBondContact O-N 3.35Å; S227-H229 PolarHBondContact OG-N 3.38Å; S227-H229 PolarHBondContact OG-O 3.49Å | ||
| 228 | N | 84.9 | Confident | 85.4 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 35% | 0.348 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -66.2 | 13.2 | 166.5 | -57.9 | -4.9 | 0 | 0 | 0 | 112.7 | W204 M205 P206 S207 K208 | W204-N228 WeakPolarHBondContact CA-O 3.46Å; M205-N228 HydrophobicContact CB-CB 4.44Å; M205-N228 PolarHBondContact N-O 3.43Å; M205-N228 WeakPolarHBondContact O-CB 3.49Å; M205-N228 PolarHBondContact O-ND2 3.08Å; P206-N228 VanDerWaalsContact C-ND2 3.29Å; P206-N228 PolarHBondContact O-ND2 3.15Å; S207-N228 PolarHBondContact O-OD1 3.15Å; K208-N228 PolarHBondContact N-OD1 2.84Å |
| 229 | H | 90 | Very high | 84.6 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 17% | 0.167 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.4 | 179 | 177.5 | -109.9 | 0 | 0 | 0 | 110.8 | E202 L203 W204 S227 | E202-H229 VanDerWaalsContact CG-NE2 3.3Å; E202-H229 WeakPolarHBondContact CG-NE2 3.43Å; E202-H229 IonicContact OE1-CD2 3.62Å; E202-H229 IonicContact OE1-CE1 3.7Å; E202-H229 IonicContact OE1-NE2 3.91Å; E202-H229 PolarHBondContact OE1-NE2 3.02Å; L203-H229 WeakPolarHBondContact O-CA 3.34Å; L203-H229 PolarHBondContact O-CD2 3.16Å; W204-H229 AromaticContact CD1-CD2 3.75Å; W204-H229 AromaticContact CE2-CD2 3.58Å; W204-H229 AromaticContact CE2-NE2 3.92Å; W204-H229 AromaticContact CZ2-NE2 3.96Å; W204-H229 AromaticContact NE1-CD2 3.31Å; W204-H229 PolarHBondContact NE1-CD2 3.04Å; W204-H229 VanDerWaalsContact NE1-CD2 3.31Å; W204-H229 AromaticContact NE1-NE2 3.91Å; S227-H229 PolarHBondContact O-N 3.35Å; S227-H229 PolarHBondContact OG-N 3.38Å; S227-H229 PolarHBondContact OG-O 3.49Å |
| 230 | S | 92.3 | Very high | 83.7 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 151.2 | 179.8 | -169.6 | 0 | 0 | 0 | 0 | 110.8 | L203 N222 | L203-S230 PolarHBondContact N-O 3.42Å; L203-S230 PolarHBondContact O-N 3.22Å; N222-S230 PolarHBondContact O-OG 3.26Å |
| 231 | L | 94.2 | Very high | 82.9 | Confident | 75 Ų | 75 | 65 Ų | 65 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.2 | 168 | -67.3 | 171.9 | 0 | 0 | 0 | 108.2 | S201 E202 W221 N222 | S201-L231 WeakPolarHBondContact O-CA 3.25Å; E202-L231 HydrophobicContact CB-CD2 3.86Å; E202-L231 HydrophobicContact CG-CD2 3.74Å; W221-L231 CarbonylContact C-O 3.56Å; W221-L231 WeakPolarHBondContact CA-O 3.26Å; W221-L231 WeakPolarHBondContact CB-O 3.15Å; N222-L231 PolarHBondContact N-O 2.7Å; N222-L231 PolarHBondContact O-N 3.25Å |
| 232 | V | 95.7 | Very high | 82.5 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.5 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | E200 S201 L203 V212 F219 T220 W221 M246 | E200-V232 CarbonylContact C-O 3.23Å; E200-V232 WeakPolarHBondContact CA-O 3.43Å; S201-V232 PolarHBondContact N-O 2.91Å; S201-V232 PolarHBondContact O-N 3.34Å; L203-V232 HydrophobicContact CD1-CG2 3.4Å; L203-V232 HydrophobicContact CG-CG2 4.05Å; V212-V232 HydrophobicContact CG1-CG1 3.99Å; V212-V232 HydrophobicContact CG2-CG2 4.17Å; F219-V232 HydrophobicContact CB-CG1 4.02Å; F219-V232 HydrophobicContact CD1-CG1 3.69Å; F219-V232 HydrophobicContact CG-CG1 4.17Å; T220-V232 CarbonylContact O-C 3.59Å; T220-V232 WeakPolarHBondContact O-CA 3.44Å; W221-V232 HydrophobicContact CB-CB 4.34Å; W221-V232 HydrophobicContact CB-CG1 4.5Å; W221-V232 HydrophobicContact CB-CG2 3.77Å; V232-M246 HydrophobicContact CB-SD 4.31Å; V232-M246 HydrophobicContact CG1-SD 3.75Å |
| 233 | K | 96.8 | Very high | 82.7 | Confident | 100 Ų | 100 | 56.5 Ų | 56.5 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.3 | 175.1 | 179.3 | 165.6 | -176 | 150.3 | 0 | 110 | E200 F219 T220 S235 | E200-K233 HydrophobicContact CG-CB 4.33Å; E200-K233 HydrophobicContact CG-CD 4.11Å; E200-K233 HydrophobicContact CG-CG 4Å; E200-K233 WeakPolarHBondContact OE1-CE 3.41Å; E200-K233 IonicContact OE1-NZ 3.65Å; E200-K233 PolarHBondContact OE1-NZ 3.2Å; F219-K233 WeakPolarHBondContact CA-O 3.13Å; T220-K233 PolarHBondContact N-O 3.46Å; T220-K233 PolarHBondContact O-N 3.41Å; T220-K233 PolarHBondContact OG1-O 2.93Å; K233-S235 PolarHBondContact O-N 3.15Å |
| 234 | L | 96.2 | Very high | 83.7 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 122.2 | 168.2 | 178.1 | 75.6 | 0 | 0 | 0 | 108.9 | F199 D217 F219 S236 F238 L244 | F199-L234 HydrophobicContact CB-CB 3.88Å; F199-L234 HydrophobicContact CB-CD2 4.31Å; F199-L234 HydrophobicContact CD1-CB 4.3Å; F199-L234 PolarHBondContact O-N 3.07Å; D217-L234 HydrophobicContact CB-CD1 3.84Å; F219-L234 HydrophobicContact CD1-CB 4.26Å; F219-L234 HydrophobicContact CD1-CD1 4.37Å; F219-L234 HydrophobicContact CE1-CB 4.05Å; F219-L234 HydrophobicContact CE1-CD1 3.92Å; F219-L234 HydrophobicContact CE2-CD1 4.46Å; F219-L234 HydrophobicContact CZ-CD1 3.98Å; L234-S236 WeakPolarHBondContact CD1-OG 3.49Å; L234-F238 HydrophobicContact CD2-CB 3.6Å; L234-F238 HydrophobicContact CD2-CG 4.44Å; L234-L244 HydrophobicContact CD1-CD1 4.14Å |
| 235 | S | 94 | Very high | 85 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | trans | -104.9 | -23.8 | -177.3 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | S218 K233 | S218-S235 VanDerWaalsContact C-OG 3.27Å; S218-S235 PolarHBondContact O-N 2.85Å; S218-S235 PolarHBondContact O-OG 2.79Å; K233-S235 PolarHBondContact O-N 3.15Å | ||
| 236 | S | 91.1 | Very high | 86.7 | Confident | 36 Ų | 36 | 40.6 Ų | 40.6 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -73.2 | 158.5 | 167.1 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | S218 L234 | S218-S236 PolarHBondContact N-OG 3.47Å; S218-S236 PolarHBondContact O-N 3.42Å; S218-S236 PolarHBondContact O-OG 2.84Å; L234-S236 WeakPolarHBondContact CD1-OG 3.49Å |
| 237 | E | 86.9 | Confident | 88.4 | Confident | 132 Ų | 132 | 35.8 Ų | 35.8 | 62% | 0.617 | 19% | 0.191 | S | C | * | . | trans | -67.7 | 140.2 | 158.5 | -177.6 | 166.9 | -146.8 | 0 | 0 | 108.7 | W5 | W5-E237 VanDerWaalsContact CZ2-OE1 3.31Å; W5-E237 WeakPolarHBondContact CZ2-OE1 3.4Å | ||
| 238 | F | 85 | Confident | 89.6 | Confident | 13 Ų | 13 | 33.8 Ų | 33.8 | 6% | 0.057 | 18% | 0.178 | C | C | . | . | trans | -110.6 | 117.8 | 177.9 | -179.3 | -101.1 | 0 | 0 | 0 | 110.6 | I197 D217 L234 P240 H242 L244 | I197-F238 HydrophobicContact CB-CB 4.4Å; I197-F238 HydrophobicContact CB-CD1 3.93Å; I197-F238 HydrophobicContact CD1-CD1 3.57Å; I197-F238 HydrophobicContact CD1-CE1 3.9Å; I197-F238 HydrophobicContact CG1-CD1 4.32Å; I197-F238 HydrophobicContact CG2-CD1 3.84Å; D217-F238 WeakPolarHBondContact OD1-CD2 3.33Å; L234-F238 HydrophobicContact CD2-CB 3.6Å; L234-F238 HydrophobicContact CD2-CG 4.44Å; F238-P240 HydrophobicContact CE1-CB 3.98Å; F238-H242 AromaticContact CE2-CE1 3.9Å; F238-H242 AromaticContact CE2-NE2 3.78Å; F238-H242 WeakPolarHBondContact CZ-O 3.19Å; F238-L244 HydrophobicContact CD2-CD1 3.92Å; F238-L244 HydrophobicContact CE2-CB 3.76Å; F238-L244 HydrophobicContact CE2-CD1 3.91Å; F238-L244 HydrophobicContact CE2-CG 4.41Å; F238-L244 HydrophobicContact CZ-CB 3.77Å | ||
| 239 | I | 78 | Confident | 90 | Very high | 44 Ų | 44 | 31.2 Ų | 31.2 | 23% | 0.226 | 16% | 0.164 | C | C | . | . | trans | -101.1 | 126.1 | 173 | -55.2 | 161.4 | 0 | 0 | 0 | 105.9 | W5 I7 D241 | W5-I239 HydrophobicContact CD2-CG1 4.46Å; W5-I239 HydrophobicContact CE3-CD1 3.75Å; W5-I239 HydrophobicContact CE3-CG1 3.99Å; W5-I239 HydrophobicContact CE3-CG2 4.35Å; W5-I239 HydrophobicContact CH2-CD1 3.63Å; W5-I239 HydrophobicContact CH2-CG1 3.71Å; W5-I239 HydrophobicContact CZ2-CG1 4.19Å; W5-I239 HydrophobicContact CZ3-CD1 3.15Å; W5-I239 HydrophobicContact CZ3-CG1 3.61Å; I7-I239 HydrophobicContact CD1-CG2 3.77Å; I239-D241 PolarHBondContact O-N 3.26Å; I239-D241 VanDerWaalsContact O-OD1 3.05Å | ||
| 240 | P | 77.7 | Confident | 90.2 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 57.7 | -174.7 | 29.4 | -28.1 | 0 | 0 | 0 | 111.6 | H12 S164 Y195 I197 F238 | H12-P240 PolarHBondContact CE1-O 3.12Å; H12-P240 PolarHBondContact ND1-O 3.41Å; S164-P240 WeakPolarHBondContact OG-CA 3.35Å; S164-P240 WeakPolarHBondContact OG-CB 2.88Å; Y195-P240 VanDerWaalsContact OH-CG 3.28Å; Y195-P240 WeakPolarHBondContact OH-CG 3.31Å; I197-P240 HydrophobicContact CD1-CB 4.1Å; I197-P240 HydrophobicContact CD1-CG 3.95Å; F238-P240 HydrophobicContact CE1-CB 3.98Å |
| 241 | D | 76.6 | Confident | 90.1 | Very high | 54 Ų | 54 | 30.7 Ų | 30.7 | 29% | 0.289 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -7.3 | 169.8 | 62.6 | -5.9 | 0 | 0 | 0 | 112.4 | I7 I239 | I7-D241 HydrophobicContact CD1-CB 3.82Å; I239-D241 PolarHBondContact O-N 3.26Å; I239-D241 VanDerWaalsContact O-OD1 3.05Å |
| 242 | H | 83.7 | Confident | 90 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -148.2 | 164.2 | 174.3 | 65.3 | -74.7 | 0 | 0 | 0 | 110.9 | S164 H216 D217 F238 | S164-H242 PolarHBondContact OG-O 3Å; H216-H242 WeakPolarHBondContact CB-NE2 3.28Å; H216-H242 AromaticContact CG-CD2 3.84Å; H216-H242 AromaticContact CG-NE2 3.92Å; H216-H242 AromaticContact ND1-CD2 3.61Å; D217-H242 IonicContact OD1-NE2 3.39Å; D217-H242 IonicContact OD2-NE2 2.76Å; D217-H242 PolarHBondContact OD2-NE2 3.5Å; D217-H242 VanDerWaalsContact OD2-NE2 3.15Å; F238-H242 AromaticContact CE2-CE1 3.9Å; F238-H242 AromaticContact CE2-NE2 3.78Å; F238-H242 WeakPolarHBondContact CZ-O 3.19Å |
| 243 | D | 88.5 | Confident | 89.7 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.032 | 18% | 0.183 | C | C | . | . | trans | -68.7 | 137.9 | 174.6 | -66.1 | -20.7 | 0 | 0 | 0 | 111.3 | T161 P163 S164 Q245 R452 | T161-D243 HydrophobicContact CG2-CB 3.87Å; P163-D243 VanDerWaalsContact CA-OD1 3.25Å; P163-D243 WeakPolarHBondContact CA-OD1 3.18Å; S164-D243 PolarHBondContact N-OD1 3.13Å; D243-Q245 PolarHBondContact O-N 2.95Å; D243-R452 IonicContact OD2-CZ 3.38Å; D243-R452 IonicContact OD2-NE 3.99Å; D243-R452 PolarHBondContact OD2-NE 2.86Å; D243-R452 IonicContact OD2-NH2 2.96Å | ||
| 244 | L | 91.5 | Very high | 89.5 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 108.2 | 175.3 | 178.3 | 63.3 | 0 | 0 | 0 | 109.2 | T161 L162 F199 D217 F219 L234 F238 | T161-L244 WeakPolarHBondContact CA-O 3.16Å; L162-L244 HydrophobicContact CB-CB 4.38Å; L162-L244 HydrophobicContact CD1-CD2 4.46Å; L162-L244 PolarHBondContact N-O 3.09Å; L162-L244 PolarHBondContact O-N 2.93Å; F199-L244 HydrophobicContact CB-CD2 3.88Å; F199-L244 HydrophobicContact CD1-CD2 4.46Å; F199-L244 HydrophobicContact CD2-CD2 3.71Å; F199-L244 HydrophobicContact CE2-CD2 4.37Å; F199-L244 HydrophobicContact CG-CD2 3.76Å; D217-L244 HydrophobicContact CB-CD1 4.5Å; D217-L244 WeakPolarHBondContact OD2-CD1 3.46Å; F219-L244 HydrophobicContact CZ-CD1 3.84Å; L234-L244 HydrophobicContact CD1-CD1 4.14Å; F238-L244 HydrophobicContact CD2-CD1 3.92Å; F238-L244 HydrophobicContact CE2-CB 3.76Å; F238-L244 HydrophobicContact CE2-CD1 3.91Å; F238-L244 HydrophobicContact CE2-CG 4.41Å; F238-L244 HydrophobicContact CZ-CB 3.77Å |
| 245 | Q | 93.5 | Very high | 89.3 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.2 | 177.8 | -68.7 | -161.7 | -20.3 | 0 | 0 | 111.6 | L160 T161 S214 D243 | L160-Q245 WeakPolarHBondContact O-CA 3.49Å; T161-Q245 HydrophobicContact CG2-CG 3.95Å; T161-Q245 PolarHBondContact OG1-NE2 2.92Å; S214-Q245 WeakPolarHBondContact CB-O 3.32Å; S214-Q245 PolarHBondContact OG-O 3Å; D243-Q245 PolarHBondContact O-N 2.95Å |
| 246 | M | 95.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120.9 | 174 | -179.6 | -175.7 | 67 | 0 | 0 | 109.1 | I35 L160 F199 L203 V212 F219 V232 L248 | I35-M246 HydrophobicContact CD1-CE 3.8Å; L160-M246 HydrophobicContact CB-CB 4.41Å; L160-M246 HydrophobicContact CB-CE 4.14Å; L160-M246 HydrophobicContact CD2-CE 3.93Å; L160-M246 PolarHBondContact N-O 3.49Å; L160-M246 PolarHBondContact O-N 3.49Å; F199-M246 HydrophobicContact CE1-SD 4.08Å; F199-M246 HydrophobicContact CZ-CE 4.39Å; F199-M246 HydrophobicContact CZ-SD 4.47Å; L203-M246 HydrophobicContact CD2-CE 4.35Å; V212-M246 HydrophobicContact CG1-CG 3.62Å; V212-M246 HydrophobicContact CG1-SD 3.89Å; F219-M246 HydrophobicContact CD1-SD 4.37Å; F219-M246 HydrophobicContact CD2-CG 4.48Å; F219-M246 HydrophobicContact CE1-CB 4.35Å; F219-M246 HydrophobicContact CE1-CG 4.33Å; F219-M246 HydrophobicContact CE1-SD 4.25Å; F219-M246 HydrophobicContact CE2-CB 4.1Å; F219-M246 HydrophobicContact CE2-CG 4.26Å; F219-M246 HydrophobicContact CZ-CB 3.84Å; F219-M246 HydrophobicContact CZ-CG 4.16Å; V232-M246 HydrophobicContact CB-SD 4.31Å; V232-M246 HydrophobicContact CG1-SD 3.75Å; M246-L248 HydrophobicContact CE-CD1 4.32Å; M246-L248 HydrophobicContact CE-CD2 4.1Å; M246-L248 HydrophobicContact CE-CG 4.3Å; M246-L248 HydrophobicContact CG-CD2 4.21Å; M246-L248 HydrophobicContact SD-CD2 4.11Å |
| 247 | V | 94.8 | Very high | 89.4 | Confident | 18 Ų | 18 | 29.9 Ų | 29.9 | 11% | 0.109 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119 | 178.3 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | E157 I158 I159 V212 K213 | E157-V247 HydrophobicContact CB-CG1 4.19Å; E157-V247 HydrophobicContact CG-CG1 4.36Å; I158-V247 CarbonylContact O-C 3.51Å; I158-V247 WeakPolarHBondContact O-CA 3.33Å; I159-V247 HydrophobicContact CG1-CG1 4.35Å; I159-V247 HydrophobicContact CG1-CG2 4.25Å; I159-V247 HydrophobicContact CG2-CG2 4.32Å; V212-V247 WeakPolarHBondContact CA-O 3.06Å; K213-V247 HydrophobicContact CG-CB 3.81Å; K213-V247 HydrophobicContact CG-CG1 4.22Å; K213-V247 PolarHBondContact N-O 2.86Å; K213-V247 PolarHBondContact O-N 2.68Å |
| 248 | L | 95 | Very high | 89.8 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.4 | 176.1 | -54.2 | 174.9 | 0 | 0 | 0 | 109.1 | E157 I158 L203 M205 D211 V212 M246 | E157-L248 CarbonylContact C-O 3.53Å; E157-L248 VanDerWaalsContact CA-O 3.23Å; E157-L248 WeakPolarHBondContact CA-O 3.36Å; I158-L248 HydrophobicContact CB-CB 4.31Å; I158-L248 PolarHBondContact N-O 3.09Å; I158-L248 PolarHBondContact O-N 2.89Å; L203-L248 HydrophobicContact CD1-CD1 3.78Å; L203-L248 HydrophobicContact CD1-CD2 3.76Å; L203-L248 HydrophobicContact CD1-CG 4.46Å; L203-L248 HydrophobicContact CD2-CD1 4.19Å; M205-L248 HydrophobicContact SD-CD1 3.81Å; D211-L248 WeakPolarHBondContact O-CA 3.32Å; V212-L248 HydrophobicContact CB-CD2 4.11Å; V212-L248 HydrophobicContact CG1-CD2 3.74Å; V212-L248 HydrophobicContact CG2-CD2 3.57Å; M246-L248 HydrophobicContact CE-CD1 4.32Å; M246-L248 HydrophobicContact CE-CD2 4.1Å; M246-L248 HydrophobicContact CE-CG 4.3Å; M246-L248 HydrophobicContact CG-CD2 4.21Å; M246-L248 HydrophobicContact SD-CD2 4.11Å |
| 249 | S | 93.2 | Very high | 90.2 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.4 | 170.5 | -51.2 | 0 | 0 | 0 | 0 | 109.2 | S156 L210 D211 | S156-S249 CarbonylContact O-C 3.52Å; S156-S249 WeakPolarHBondContact O-CA 3.46Å; L210-S249 PolarHBondContact N-O 3.06Å; D211-S249 PolarHBondContact N-O 3.47Å; D211-S249 PolarHBondContact O-N 3.11Å |
| 250 | L | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 154.2 | -179.8 | -51.5 | -177.2 | 0 | 0 | 0 | 111.9 | H155 S156 I158 M205 P206 S207 K208 I209 D252 L254 | H155-L250 WeakPolarHBondContact CB-O 3.24Å; S156-L250 PolarHBondContact N-O 3.36Å; S156-L250 PolarHBondContact O-N 3.04Å; S156-L250 WeakPolarHBondContact OG-CB 3.31Å; I158-L250 HydrophobicContact CD1-CD1 3.56Å; I158-L250 HydrophobicContact CD1-CG 4.37Å; I158-L250 HydrophobicContact CG1-CD1 4.2Å; M205-L250 HydrophobicContact CB-CD1 4.35Å; M205-L250 HydrophobicContact CB-CD2 4.03Å; M205-L250 HydrophobicContact CG-CD2 3.89Å; M205-L250 HydrophobicContact SD-CD2 4.39Å; P206-L250 HydrophobicContact CG-CD1 3.87Å; S207-L250 WeakPolarHBondContact OG-CB 3.47Å; K208-L250 CarbonylContact O-C 3.53Å; K208-L250 WeakPolarHBondContact O-CA 3.23Å; I209-L250 HydrophobicContact CB-CD2 4.35Å; I209-L250 HydrophobicContact CG1-CD2 3.71Å; L250-D252 VanDerWaalsContact C-N 3.32Å; L250-D252 PolarHBondContact O-N 3.03Å; L250-L254 HydrophobicContact CD1-CD2 4.42Å |
| 251 | S | 91.5 | Very high | 91.7 | Very high | 27 Ų | 27 | 21.3 Ų | 21.3 | 19% | 0.189 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -66.9 | -30.5 | -174.2 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | K208 | K208-S251 PolarHBondContact N-OG 3.45Å; K208-S251 PolarHBondContact O-N 3.2Å |
| 252 | D | 91.7 | Very high | 92.4 | Very high | 87 Ų | 87 | 23.1 Ų | 23.1 | 47% | 0.465 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -119 | 154.2 | -170.6 | -53 | -8.7 | 0 | 0 | 0 | 109.8 | S156 S207 L250 | S156-D252 WeakPolarHBondContact CB-O 3.22Å; S156-D252 PolarHBondContact OG-O 3.32Å; S207-D252 WeakPolarHBondContact CB-OD2 3.3Å; L250-D252 VanDerWaalsContact C-N 3.32Å; L250-D252 PolarHBondContact O-N 3.03Å |
| 253 | P | 90 | Very high | 92.8 | Very high | 52 Ų | 52 | 23 Ų | 23 | 34% | 0.338 | 13% | 0.132 | S | C | . | . | trans | -59.8 | 142 | 169 | -22.1 | 35.1 | 0 | 0 | 0 | 111.2 | N145 S154 | N145-P253 WeakPolarHBondContact OD1-CA 3.41Å; S154-P253 WeakPolarHBondContact O-CD 3.44Å; S154-P253 WeakPolarHBondContact OG-CG 3.46Å | ||
| 254 | L | 92 | Very high | 92.9 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | trans | -61.2 | 137.2 | 166.1 | -66.9 | 162.6 | 0 | 0 | 0 | 109 | M38 N145 I158 P206 L250 L281 F511 | M38-L254 HydrophobicContact SD-CD2 4.14Å; N145-L254 PolarHBondContact ND2-O 3.41Å; N145-L254 WeakPolarHBondContact OD1-CB 3.37Å; N145-L254 PolarHBondContact OD1-N 2.85Å; I158-L254 HydrophobicContact CD1-CD2 4.27Å; I158-L254 HydrophobicContact CG1-CD1 4.39Å; I158-L254 HydrophobicContact CG1-CD2 4.45Å; P206-L254 HydrophobicContact CG-CD2 3.87Å; L250-L254 HydrophobicContact CD1-CD2 4.42Å; L254-L281 HydrophobicContact CB-CD2 3.58Å; L254-L281 VanDerWaalsContact O-CD2 3.28Å; L254-L281 WeakPolarHBondContact O-CD2 3.37Å; L254-F511 HydrophobicContact CB-CE2 4.38Å; L254-F511 HydrophobicContact CB-CZ 4.11Å; L254-F511 HydrophobicContact CD1-CE2 4.1Å; L254-F511 HydrophobicContact CD2-CZ 4.43Å | ||
| 255 | T | 91.8 | Very high | 92.6 | Very high | 90 Ų | 90 | 27 Ų | 27 | 55% | 0.552 | 16% | 0.158 | S | C | * | . | trans | -122.1 | 173.8 | 168.6 | 63.7 | 0 | 0 | 0 | 0 | 108.5 | L257 F511 | T255-L257 WeakPolarHBondContact O-CG 3.36Å; T255-L257 PolarHBondContact O-N 3.04Å; T255-F511 WeakPolarHBondContact O-CE1 3.4Å | ||
| 256 | S | 92.8 | Very high | 92.3 | Very high | 23 Ų | 23 | 33.5 Ų | 33.5 | 16% | 0.161 | 19% | 0.193 | C | C | . | . | trans | -53.4 | 139 | 170 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | Q279 L281 | S256-Q279 CarbonylContact C-O 3.58Å; S256-Q279 WeakPolarHBondContact CA-O 3.34Å; S256-L281 PolarHBondContact OG-N 2.76Å; S256-L281 PolarHBondContact OG-O 3.14Å | ||
| 257 | L | 94.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 150.6 | -173.2 | -55.5 | 173.4 | 0 | 0 | 0 | 111.2 | N37 M38 P206 T255 Q279 F511 L545 | N37-L257 HydrophobicContact CB-CD1 3.84Å; M38-L257 HydrophobicContact CG-CD1 3.82Å; P206-L257 HydrophobicContact CB-CD2 3.97Å; T255-L257 WeakPolarHBondContact O-CG 3.36Å; T255-L257 PolarHBondContact O-N 3.04Å; L257-Q279 HydrophobicContact CB-CB 4.35Å; L257-Q279 PolarHBondContact N-O 2.9Å; L257-Q279 PolarHBondContact O-N 2.71Å; L257-F511 HydrophobicContact CD1-CE1 4.3Å; L257-F511 HydrophobicContact CD1-CZ 3.96Å; L257-F511 HydrophobicContact CG-CE1 4.21Å; L257-F511 HydrophobicContact CG-CZ 4.25Å; L257-L545 WeakPolarHBondContact O-CD2 3.26Å |
| 258 | S | 94.5 | Very high | 91.4 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.1 | 172.7 | 53.3 | 0 | 0 | 0 | 0 | 111 | M277 A550 I551 | S258-M277 CarbonylContact C-O 3.58Å; S258-M277 VanDerWaalsContact CA-O 3.28Å; S258-M277 WeakPolarHBondContact CA-O 3.4Å; S258-A550 VanDerWaalsContact O-CA 3.3Å; S258-A550 WeakPolarHBondContact O-CA 3.35Å; S258-A550 VanDerWaalsContact OG-CA 3.28Å; S258-A550 WeakPolarHBondContact OG-CA 2.96Å; S258-A550 WeakPolarHBondContact OG-CB 3.15Å; S258-A550 PolarHBondContact OG-N 3Å; S258-I551 PolarHBondContact O-N 2.9Å; S258-I551 VanDerWaalsContact O-N 3.1Å |
| 259 | S | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 131.2 | 177.3 | -45.5 | 0 | 0 | 0 | 0 | 109.5 | N37 M277 I551 | N37-S259 PolarHBondContact ND2-OG 3.03Å; S259-M277 PolarHBondContact N-O 2.9Å; S259-M277 PolarHBondContact O-N 3.05Å; S259-I551 CarbonylContact C-O 3.52Å; S259-I551 WeakPolarHBondContact CA-O 3.45Å |
| 260 | L | 93.8 | Very high | 90.8 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130.7 | -178.8 | 178.3 | 63.6 | 0 | 0 | 0 | 109.5 | Y262 L276 F518 I526 A550 I551 S552 I553 | L260-Y262 HydrophobicContact CD2-CE1 4.21Å; L260-Y262 HydrophobicContact CD2-CE2 3.88Å; L260-Y262 HydrophobicContact CG-CE2 4.28Å; L260-L276 HydrophobicContact CB-CD1 4.49Å; L260-L276 HydrophobicContact CD1-CB 4.36Å; L260-F518 HydrophobicContact CD1-CE1 4.39Å; L260-F518 HydrophobicContact CD1-CZ 3.85Å; L260-I526 HydrophobicContact CD1-CD1 4.42Å; L260-I526 HydrophobicContact CD2-CD1 3.96Å; L260-A550 HydrophobicContact CB-CB 4.36Å; L260-I551 PolarHBondContact N-O 2.86Å; L260-S552 WeakPolarHBondContact O-CA 3.43Å; L260-I553 PolarHBondContact O-N 2.76Å |
| 261 | E | 93.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.5 | 171.1 | -175.3 | 171.3 | -97.1 | 0 | 0 | 109.2 | C275 N554 L563 P564 I565 H566 | E261-C275 PolarHBondContact N-O 2.94Å; E261-C275 PolarHBondContact O-N 3.16Å; E261-N554 WeakPolarHBondContact CA-OD1 3.49Å; E261-L563 VanDerWaalsContact CD-C 3.49Å; E261-L563 HydrophobicContact CG-CD2 4Å; E261-L563 VanDerWaalsContact OE2-CA 3.29Å; E261-L563 WeakPolarHBondContact OE2-CA 3.26Å; E261-P564 WeakPolarHBondContact OE1-CD 3.27Å; E261-P564 WeakPolarHBondContact OE1-CG 3.22Å; E261-I565 HydrophobicContact CB-CB 3.91Å; E261-I565 HydrophobicContact CB-CD1 3.66Å; E261-I565 HydrophobicContact CB-CG1 3.84Å; E261-I565 HydrophobicContact CG-CB 4.48Å; E261-I565 PolarHBondContact OE1-N 2.87Å; E261-I565 WeakPolarHBondContact OE2-CA 3.17Å; E261-I565 WeakPolarHBondContact OE2-CB 3.4Å; E261-I565 PolarHBondContact OE2-N 2.8Å; E261-H566 PolarHBondContact O-CE1 2.88Å; E261-H566 IonicContact OE2-CE1 2.74Å; E261-H566 IonicContact OE2-CG 3.99Å; E261-H566 PolarHBondContact OE2-N 3.23Å; E261-H566 IonicContact OE2-ND1 3.8Å; E261-H566 PolarHBondContact OE2-ND1 2.91Å |
| 262 | Y | 91.8 | Very high | 90.8 | Very high | 92 Ų | 92 | 45.1 Ų | 45.1 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | trans | -77 | 136.5 | 174 | -67.1 | -82.4 | 0 | 0 | 0 | 110.1 | L260 N274 I526 N554 L563 | L260-Y262 HydrophobicContact CD2-CE1 4.21Å; L260-Y262 HydrophobicContact CD2-CE2 3.88Å; L260-Y262 HydrophobicContact CG-CE2 4.28Å; Y262-N274 WeakPolarHBondContact CA-OD1 3.19Å; Y262-N274 WeakPolarHBondContact CD1-OD1 3.31Å; Y262-I526 HydrophobicContact CE1-CD1 3.7Å; Y262-N554 PolarHBondContact N-OD1 2.86Å; Y262-N554 PolarHBondContact O-ND2 3Å; Y262-L563 WeakPolarHBondContact O-CD2 3.3Å | ||
| 263 | G | 91.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 18% | 0.175 | 25% | 0.248 | C | C | . | . | trans | -70 | 159.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P265 L271 M273 N274 | G263-P265 WeakPolarHBondContact O-CD 3.41Å; G263-L271 CarbonylContact C-O 3.48Å; G263-L271 WeakPolarHBondContact CA-O 3.35Å; G263-M273 WeakPolarHBondContact CA-O 3.49Å; G263-M273 PolarHBondContact N-O 3.46Å; G263-N274 PolarHBondContact N-OD1 3.04Å | ||
| 264 | D | 89.5 | Confident | 91.1 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | trans | -87.7 | 113.6 | 172.1 | 179.8 | 1.5 | 0 | 0 | 0 | 109.9 | N266 Q267 L271 A272 L563 | D264-N266 PolarHBondContact O-N 3Å; D264-N266 VanDerWaalsContact O-N 3.11Å; D264-N266 WeakPolarHBondContact OD1-CB 3.46Å; D264-N266 PolarHBondContact OD1-N 3.35Å; D264-N266 PolarHBondContact OD1-ND2 3.48Å; D264-Q267 HydrophobicContact CB-CB 4.31Å; D264-Q267 HydrophobicContact CB-CG 3.69Å; D264-Q267 WeakPolarHBondContact O-CB 3.03Å; D264-Q267 PolarHBondContact O-N 3.38Å; D264-L271 PolarHBondContact N-O 3.45Å; D264-A272 WeakPolarHBondContact O-CA 3.23Å; D264-L563 HydrophobicContact CB-CD1 4.03Å | ||
| 265 | P | 85.6 | Confident | 91.3 | Very high | 74 Ų | 74 | 39.8 Ų | 39.8 | 48% | 0.481 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.5 | -179.5 | 29.6 | -37.8 | 0 | 0 | 0 | 114.1 | G263 Q267 | G263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-Q267 VanDerWaalsContact C-N 3.34Å |
| 266 | N | 87 | Confident | 91.5 | Very high | 144 Ų | 144 | 35.5 Ų | 35.5 | 77% | 0.77 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -11.9 | 175.3 | -54.1 | -55.9 | 0 | 0 | 0 | 112.5 | D264 | D264-N266 PolarHBondContact O-N 3Å; D264-N266 VanDerWaalsContact O-N 3.11Å; D264-N266 WeakPolarHBondContact OD1-CB 3.46Å; D264-N266 PolarHBondContact OD1-N 3.35Å; D264-N266 PolarHBondContact OD1-ND2 3.48Å |
| 267 | Q | 88 | Confident | 91.7 | Very high | 84 Ų | 84 | 34.4 Ų | 34.4 | 39% | 0.393 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -85.9 | 173.5 | 174.8 | -63.1 | -70.8 | -19.6 | 0 | 0 | 110.8 | D264 P265 L271 A272 | D264-Q267 HydrophobicContact CB-CB 4.31Å; D264-Q267 HydrophobicContact CB-CG 3.69Å; D264-Q267 WeakPolarHBondContact O-CB 3.03Å; D264-Q267 PolarHBondContact O-N 3.38Å; P265-Q267 VanDerWaalsContact C-N 3.34Å; Q267-L271 HydrophobicContact CB-CB 3.56Å; Q267-L271 HydrophobicContact CB-CD1 4.3Å; Q267-L271 HydrophobicContact CG-CB 4.01Å; Q267-L271 HydrophobicContact CG-CD1 4.18Å; Q267-A272 WeakPolarHBondContact O-CB 3.43Å |
| 268 | S | 84 | Confident | 91.7 | Very high | 86 Ų | 86 | 33.8 Ų | 33.8 | 60% | 0.601 | 20% | 0.197 | S | C | * | . | trans | -115.5 | 169 | 175.1 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | I270 L271 | S268-I270 PolarHBondContact O-N 2.88Å; S268-L271 PolarHBondContact O-N 3.37Å | ||
| 269 | S | 85.5 | Confident | 91.7 | Very high | 61 Ų | 61 | 33.6 Ų | 33.6 | 43% | 0.427 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | 56.7 | -132 | 177 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | A272 Q610 | S269-A272 PolarHBondContact O-N 3.04Å; S269-Q610 PolarHBondContact OG-OE1 2.97Å |
| 270 | I | 90.8 | Very high | 91.6 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 14% | 0.138 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -72.4 | -25.1 | -173.6 | 56.8 | 172.7 | 0 | 0 | 0 | 114.2 | S268 A272 M273 F517 H566 L607 L611 | S268-I270 PolarHBondContact O-N 2.88Å; I270-A272 PolarHBondContact O-N 3.39Å; I270-M273 HydrophobicContact CG2-SD 4.42Å; I270-M273 WeakPolarHBondContact O-CB 3.42Å; I270-M273 PolarHBondContact O-N 3.49Å; I270-M273 VanDerWaalsContact O-N 3.15Å; I270-F517 HydrophobicContact CB-CE1 4.43Å; I270-H566 PolarHBondContact O-CD2 2.86Å; I270-L607 HydrophobicContact CD1-CD1 3.32Å; I270-L611 HydrophobicContact CD1-CD1 3.59Å; I270-L611 HydrophobicContact CD1-CD2 3.5Å; I270-L611 HydrophobicContact CD1-CG 3.61Å; I270-L611 HydrophobicContact CG1-CD2 3.82Å; I270-L611 HydrophobicContact CG1-CG 4.28Å |
| 271 | L | 93 | Very high | 91.4 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -69.1 | -20.6 | 176.4 | -68.3 | 178.7 | 0 | 0 | 0 | 112.8 | G263 D264 Q267 S268 L563 H566 Q610 L611 | G263-L271 CarbonylContact C-O 3.48Å; G263-L271 WeakPolarHBondContact CA-O 3.35Å; D264-L271 PolarHBondContact N-O 3.45Å; Q267-L271 HydrophobicContact CB-CB 3.56Å; Q267-L271 HydrophobicContact CB-CD1 4.3Å; Q267-L271 HydrophobicContact CG-CB 4.01Å; Q267-L271 HydrophobicContact CG-CD1 4.18Å; S268-L271 PolarHBondContact O-N 3.37Å; L271-L563 HydrophobicContact CB-CD1 4.09Å; L271-L563 HydrophobicContact CD2-CB 4.32Å; L271-L563 HydrophobicContact CD2-CD1 3.8Å; L271-L563 HydrophobicContact CG-CD1 4.44Å; L271-H566 HydrophobicContact CD2-CB 3.86Å; L271-Q610 WeakPolarHBondContact CD1-O 3.44Å; L271-L611 HydrophobicContact CD2-CD2 3.41Å; L271-L611 VanDerWaalsContact CD2-CD2 3.41Å; L271-L611 HydrophobicContact CG-CD2 3.82Å |
| 272 | A | 91.8 | Very high | 90.6 | Very high | 42 Ų | 42 | 34 Ų | 34 | 35% | 0.347 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -87.7 | -10.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D264 Q267 S269 I270 | D264-A272 WeakPolarHBondContact O-CA 3.23Å; Q267-A272 WeakPolarHBondContact O-CB 3.43Å; S269-A272 PolarHBondContact O-N 3.04Å; I270-A272 PolarHBondContact O-N 3.39Å |
| 273 | M | 93.7 | Very high | 89.8 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -83.7 | 162.6 | 173.7 | -61.1 | -179.5 | 65.8 | 0 | 0 | 109.2 | G263 I270 I497 F517 K519 H566 | G263-M273 WeakPolarHBondContact CA-O 3.49Å; G263-M273 PolarHBondContact N-O 3.46Å; I270-M273 HydrophobicContact CG2-SD 4.42Å; I270-M273 WeakPolarHBondContact O-CB 3.42Å; I270-M273 PolarHBondContact O-N 3.49Å; I270-M273 VanDerWaalsContact O-N 3.15Å; M273-I497 HydrophobicContact CE-CD1 3.95Å; M273-F517 HydrophobicContact CE-CB 3.81Å; M273-F517 HydrophobicContact SD-CB 4.35Å; M273-K519 HydrophobicContact CE-CG 4.29Å; M273-K519 HydrophobicContact CG-CG 4.19Å; M273-H566 PolarHBondContact O-NE2 3.33Å |
| 274 | N | 94.1 | Very high | 88.7 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 152 | 166 | -57.4 | -39.3 | 0 | 0 | 0 | 109.3 | Y262 G263 F517 F518 S520 | Y262-N274 WeakPolarHBondContact CA-OD1 3.19Å; Y262-N274 WeakPolarHBondContact CD1-OD1 3.31Å; G263-N274 PolarHBondContact N-OD1 3.04Å; N274-F517 VanDerWaalsContact O-CA 3.31Å; N274-F517 WeakPolarHBondContact O-CA 3.48Å; N274-F518 HydrophobicContact CB-CD2 4.18Å; N274-F518 HydrophobicContact CB-CE1 4.22Å; N274-F518 HydrophobicContact CB-CE2 3.74Å; N274-F518 HydrophobicContact CB-CZ 3.76Å; N274-F518 PolarHBondContact N-O 3.12Å; N274-F518 PolarHBondContact O-N 3.4Å; N274-S520 PolarHBondContact ND2-OG 2.92Å |
| 275 | C | 95.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 122.5 | 177.3 | -164.9 | 0 | 0 | 0 | 0 | 110.7 | E261 F517 I565 H566 | E261-C275 PolarHBondContact N-O 2.94Å; E261-C275 PolarHBondContact O-N 3.16Å; C275-F517 HydrophobicContact CB-CD1 3.89Å; C275-F517 HydrophobicContact CB-CE1 3.85Å; C275-F517 VanDerWaalsContact SG-CE1 3.52Å; C275-I565 HydrophobicContact CB-CG2 4.13Å; C275-I565 VanDerWaalsContact SG-CG2 3.59Å; C275-H566 VanDerWaalsContact CB-CE1 3.46Å; C275-H566 WeakPolarHBondContact CB-CE1 3.39Å; C275-H566 WeakPolarHBondContact CB-NE2 3.49Å |
| 276 | L | 96.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.4 | 171.6 | 172.7 | 65.4 | 0 | 0 | 0 | 109.4 | L260 V278 W480 L482 F515 G516 F518 V530 I547 A550 | L260-L276 HydrophobicContact CB-CD1 4.49Å; L260-L276 HydrophobicContact CD1-CB 4.36Å; L276-V278 HydrophobicContact CD2-CG2 4.37Å; L276-V278 HydrophobicContact CG-CG2 4.21Å; L276-W480 HydrophobicContact CB-CZ3 4.38Å; L276-W480 HydrophobicContact CD2-CE3 4.22Å; L276-W480 HydrophobicContact CD2-CZ3 3.69Å; L276-W480 HydrophobicContact CG-CZ3 4.11Å; L276-L482 HydrophobicContact CD2-CD1 4.03Å; L276-L482 HydrophobicContact CD2-CD2 4.3Å; L276-F515 CarbonylContact O-C 3.52Å; L276-F515 VanDerWaalsContact O-CA 3.29Å; L276-F515 WeakPolarHBondContact O-CA 3.38Å; L276-G516 PolarHBondContact N-O 3.45Å; L276-G516 PolarHBondContact O-N 3.36Å; L276-F518 HydrophobicContact CB-CE1 3.78Å; L276-V530 HydrophobicContact CD2-CG2 4.42Å; L276-I547 HydrophobicContact CD1-CD1 4.03Å; L276-I547 HydrophobicContact CD1-CG2 4.4Å; L276-I547 HydrophobicContact CD2-CD1 3.34Å; L276-I547 HydrophobicContact CD2-CG1 3.91Å; L276-I547 HydrophobicContact CG-CD1 4.27Å; L276-A550 HydrophobicContact CD1-CB 4.45Å |
| 277 | M | 96.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.3 | 170.5 | -175.7 | 173.6 | 71.7 | 0 | 0 | 110.2 | L39 S258 S259 Q279 T513 F515 I565 L568 | L39-M277 HydrophobicContact CB-CE 4.19Å; L39-M277 HydrophobicContact CD1-CE 4.25Å; L39-M277 HydrophobicContact CD1-SD 4.19Å; S258-M277 CarbonylContact C-O 3.58Å; S258-M277 VanDerWaalsContact CA-O 3.28Å; S258-M277 WeakPolarHBondContact CA-O 3.4Å; S259-M277 PolarHBondContact N-O 2.9Å; S259-M277 PolarHBondContact O-N 3.05Å; M277-Q279 HydrophobicContact CE-CG 4.25Å; M277-Q279 HydrophobicContact CG-CG 4.07Å; M277-Q279 HydrophobicContact SD-CG 4.33Å; M277-T513 HydrophobicContact CG-CG2 3.99Å; M277-T513 HydrophobicContact SD-CG2 4.31Å; M277-F515 HydrophobicContact CB-CD1 3.86Å; M277-F515 HydrophobicContact CB-CE1 3.85Å; M277-F515 HydrophobicContact CG-CD1 3.92Å; M277-F515 HydrophobicContact CG-CE1 3.5Å; M277-F515 HydrophobicContact CG-CZ 4.22Å; M277-F515 HydrophobicContact SD-CE1 3.66Å; M277-F515 HydrophobicContact SD-CZ 4.17Å; M277-I565 HydrophobicContact CB-CD1 4.1Å; M277-I565 HydrophobicContact CB-CG2 3.82Å; M277-L568 HydrophobicContact SD-CD2 4.41Å |
| 278 | V | 95.2 | Very high | 82.9 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 119.3 | 175.2 | 171.8 | 0 | 0 | 0 | 0 | 108.3 | L276 W480 T513 Y514 V530 L545 | L276-V278 HydrophobicContact CD2-CG2 4.37Å; L276-V278 HydrophobicContact CG-CG2 4.21Å; V278-W480 HydrophobicContact CB-CH2 4.36Å; V278-W480 HydrophobicContact CG2-CH2 3.79Å; V278-W480 HydrophobicContact CG2-CZ3 4.02Å; V278-T513 CarbonylContact O-C 3.55Å; V278-T513 WeakPolarHBondContact O-CA 3.33Å; V278-Y514 PolarHBondContact N-O 2.88Å; V278-Y514 PolarHBondContact O-N 2.9Å; V278-V530 HydrophobicContact CG2-CB 4.47Å; V278-V530 HydrophobicContact CG2-CG2 4.06Å; V278-L545 HydrophobicContact CG1-CD2 3.78Å |
| 279 | Q | 94 | Very high | 81.5 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 98.3 | 175.2 | -53.4 | -172.3 | -78.2 | 0 | 0 | 107.7 | S256 L257 M277 F511 T513 | S256-Q279 CarbonylContact C-O 3.58Å; S256-Q279 WeakPolarHBondContact CA-O 3.34Å; L257-Q279 HydrophobicContact CB-CB 4.35Å; L257-Q279 PolarHBondContact N-O 2.9Å; L257-Q279 PolarHBondContact O-N 2.71Å; M277-Q279 HydrophobicContact CE-CG 4.25Å; M277-Q279 HydrophobicContact CG-CG 4.07Å; M277-Q279 HydrophobicContact SD-CG 4.33Å; Q279-F511 HydrophobicContact CB-CD1 3.55Å; Q279-F511 HydrophobicContact CB-CE1 3.96Å; Q279-F511 HydrophobicContact CB-CG 4.25Å; Q279-F511 WeakPolarHBondContact O-CD1 3.42Å; Q279-T513 HydrophobicContact CG-CG2 4.21Å |
| 280 | L | 91.6 | Very high | 80 | Confident | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 124.1 | -177.7 | -179.7 | 73.7 | 0 | 0 | 0 | 110.2 | V506 F511 S512 F532 F543 | L280-V506 HydrophobicContact CD2-CG1 4.3Å; L280-F511 CarbonylContact O-C 3.56Å; L280-F511 VanDerWaalsContact O-CA 3.27Å; L280-F511 WeakPolarHBondContact O-CA 3.33Å; L280-S512 PolarHBondContact N-O 2.93Å; L280-S512 PolarHBondContact O-N 3.12Å; L280-F532 HydrophobicContact CD1-CB 4.23Å; L280-F532 HydrophobicContact CD1-CG 4.44Å; L280-F532 HydrophobicContact CD2-CB 4.04Å; L280-F532 HydrophobicContact CD2-CD1 3.45Å; L280-F532 VanDerWaalsContact CD2-CD1 3.45Å; L280-F532 HydrophobicContact CD2-CD2 3.62Å; L280-F532 HydrophobicContact CD2-CE1 3.71Å; L280-F532 HydrophobicContact CD2-CE2 3.85Å; L280-F532 HydrophobicContact CD2-CG 3.41Å; L280-F532 VanDerWaalsContact CD2-CG 3.41Å; L280-F532 HydrophobicContact CD2-CZ 3.91Å; L280-F543 HydrophobicContact CD1-CB 3.96Å; L280-F543 HydrophobicContact CD1-CG 4.46Å |
| 281 | L | 89.8 | Confident | 78.4 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | trans | -124.7 | 91 | 171.5 | -174 | 66.5 | 0 | 0 | 0 | 108 | L254 S256 R510 F511 | L254-L281 HydrophobicContact CB-CD2 3.58Å; L254-L281 VanDerWaalsContact O-CD2 3.28Å; L254-L281 WeakPolarHBondContact O-CD2 3.37Å; S256-L281 PolarHBondContact OG-N 2.76Å; S256-L281 PolarHBondContact OG-O 3.14Å; L281-R510 WeakPolarHBondContact CD1-O 3.39Å; L281-F511 HydrophobicContact CB-CD1 3.69Å; L281-F511 HydrophobicContact CB-CE1 3.54Å; L281-F511 HydrophobicContact CB-CG 4.44Å; L281-F511 HydrophobicContact CB-CZ 4.16Å; L281-F511 HydrophobicContact CD1-CG 4.47Å; L281-F511 HydrophobicContact CD2-CE1 4.12Å; L281-F511 HydrophobicContact CD2-CE2 4.24Å; L281-F511 HydrophobicContact CD2-CZ 3.86Å; L281-F511 HydrophobicContact CG-CE1 4.35Å | ||
| 282 | P | 78.3 | Confident | 77 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | trans | -82.1 | 140 | -173.2 | 34.1 | -34.2 | 0 | 0 | 0 | 111.6 | I284 V506 F543 | P282-I284 VanDerWaalsContact C-N 3.33Å; P282-I284 HydrophobicContact CB-CD1 4.12Å; P282-I284 HydrophobicContact CB-CG1 4.03Å; P282-I284 HydrophobicContact CG-CD1 3.91Å; P282-I284 HydrophobicContact CG-CG1 4.24Å; P282-I284 PolarHBondContact O-N 2.76Å; P282-I284 VanDerWaalsContact O-N 3.09Å; P282-V506 HydrophobicContact CG-CG1 3.36Å; P282-F543 HydrophobicContact CB-CD1 3.92Å; P282-F543 HydrophobicContact CB-CD2 4.26Å; P282-F543 HydrophobicContact CB-CE1 3.47Å; P282-F543 VanDerWaalsContact CB-CE1 3.47Å; P282-F543 HydrophobicContact CB-CE2 3.81Å; P282-F543 HydrophobicContact CB-CG 4.29Å; P282-F543 HydrophobicContact CB-CZ 3.39Å | ||
| 283 | D | 73.7 | Confident | 76.2 | Confident | 127 Ų | 127 | 42.1 Ų | 42.1 | 68% | 0.679 | 23% | 0.228 | S | C | * | . | trans | -81.5 | 81.4 | 168.3 | -171 | 16.1 | 0 | 0 | 0 | 109.7 | ||||
| 284 | I | 68.9 | Low | 75.9 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 5% | 0.046 | 24% | 0.243 | C | C | . | . | trans | -99.2 | 120.3 | 171.6 | -60.4 | 168.4 | 0 | 0 | 0 | 106.4 | P282 N286 P508 F543 | P282-I284 VanDerWaalsContact C-N 3.33Å; P282-I284 HydrophobicContact CB-CD1 4.12Å; P282-I284 HydrophobicContact CB-CG1 4.03Å; P282-I284 HydrophobicContact CG-CD1 3.91Å; P282-I284 HydrophobicContact CG-CG1 4.24Å; P282-I284 PolarHBondContact O-N 2.76Å; P282-I284 VanDerWaalsContact O-N 3.09Å; I284-N286 PolarHBondContact O-N 3.1Å; I284-P508 HydrophobicContact CB-CG 4.3Å; I284-F543 HydrophobicContact CG1-CZ 4.03Å | ||
| 285 | P | 62.2 | Low | 75.7 | Confident | 72 Ų | 72 | 46.1 Ų | 46.1 | 47% | 0.468 | 24% | 0.241 | S | C | . | . | trans | -53.8 | 136.5 | 172.7 | -21.6 | 32.2 | 0 | 0 | 0 | 109.5 | V287 | P285-V287 HydrophobicContact CB-CG2 4.43Å; P285-V287 PolarHBondContact O-N 2.65Å | ||
| 286 | N | 58.5 | Low | 75.6 | Confident | 53 Ų | 53 | 46.1 Ų | 46.1 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | trans | -65.6 | 85.8 | 171.3 | -72 | -22.3 | 0 | 0 | 0 | 108.7 | I284 V288 | I284-N286 PolarHBondContact O-N 3.1Å; N286-V288 PolarHBondContact O-N 3.08Å | ||
| 287 | V | 55.6 | Low | 75.6 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | trans | -81.7 | 95 | 171.4 | -173.6 | 0 | 0 | 0 | 0 | 106.9 | P285 S289 P471 L537 | P285-V287 HydrophobicContact CB-CG2 4.43Å; P285-V287 PolarHBondContact O-N 2.65Å; V287-S289 PolarHBondContact O-N 3.27Å; V287-S289 VanDerWaalsContact O-N 3.09Å; V287-P471 WeakPolarHBondContact O-CD 3.35Å; V287-L537 HydrophobicContact CB-CD1 4.07Å; V287-L537 HydrophobicContact CG1-CD1 3.53Å; V287-L537 HydrophobicContact CG2-CD1 4.41Å | ||
| 288 | V | 53 | Low | 75.6 | Confident | 56 Ų | 56 | 46.2 Ų | 46.2 | 34% | 0.339 | 24% | 0.242 | S | C | . | . | trans | -70.6 | 102.3 | 172.3 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | N286 L780 | N286-V288 PolarHBondContact O-N 3.08Å; V288-L780 HydrophobicContact CG2-CD2 4.17Å | ||
| 289 | S | 53.6 | Low | 75.8 | Confident | 40 Ų | 40 | 46 Ų | 46 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | trans | 45.6 | 110.2 | 170 | 60.8 | 0 | 0 | 0 | 0 | 116.5 | V287 | V287-S289 PolarHBondContact O-N 3.27Å; V287-S289 VanDerWaalsContact O-N 3.09Å | ||
| 290 | S | 54.6 | Low | 76 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | trans | -63.2 | 156.4 | 158.7 | 67.7 | 0 | 0 | 0 | 0 | 109.7 | D292 M293 | S290-D292 PolarHBondContact O-N 3.22Å; S290-D292 PolarHBondContact OG-N 2.83Å; S290-M293 PolarHBondContact O-N 2.9Å; S290-M293 VanDerWaalsContact O-N 3.15Å | ||
| 291 | K | 56.7 | Low | 76.3 | Confident | 198 Ų | 198 | 45.7 Ų | 45.7 | 86% | 0.861 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -15.6 | 172.5 | -77.2 | -175.3 | 176.4 | 179.8 | 0 | 113.3 | ||
| 292 | D | 63.8 | Low | 76.7 | Confident | 141 Ų | 141 | 45 Ų | 45 | 75% | 0.754 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -15 | -175.2 | -53.2 | -45.1 | 0 | 0 | 0 | 113.6 | S290 | S290-D292 PolarHBondContact O-N 3.22Å; S290-D292 PolarHBondContact OG-N 2.83Å |
| 293 | M | 75.1 | Confident | 77.6 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 17% | 0.172 | 24% | 0.239 | C | C | . | . | trans | -96.4 | 120.6 | -178.8 | -70.9 | -170 | 171.2 | 0 | 0 | 111.9 | S290 Y295 F393 P471 L537 | S290-M293 PolarHBondContact O-N 2.9Å; S290-M293 VanDerWaalsContact O-N 3.15Å; M293-Y295 HydrophobicContact CB-CE2 3.77Å; M293-Y295 PolarHBondContact SD-OH 2.96Å; M293-Y295 VanDerWaalsContact SD-OH 3.42Å; M293-F393 HydrophobicContact CG-CE2 4.31Å; M293-P471 HydrophobicContact CE-CB 3.86Å; M293-P471 HydrophobicContact SD-CB 3.77Å; M293-P471 HydrophobicContact SD-CG 4.05Å; M293-L537 HydrophobicContact CE-CD2 3.44Å; M293-L537 VanDerWaalsContact CE-CD2 3.44Å; M293-L537 HydrophobicContact SD-CD2 4.08Å | ||
| 294 | R | 86.1 | Confident | 78.6 | Confident | 111 Ų | 111 | 40.1 Ų | 40.1 | 42% | 0.419 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.9 | 177.1 | -61.5 | -174.2 | -68.2 | -170.3 | -2.6 | 110 | E390 W392 F393 | R294-E390 PolarHBondContact NH2-O 3.23Å; R294-W392 HydrophobicContact CB-CD2 3.63Å; R294-W392 HydrophobicContact CB-CE3 3.62Å; R294-W392 HydrophobicContact CB-CG 4.2Å; R294-W392 HydrophobicContact CB-CH2 4.13Å; R294-W392 HydrophobicContact CB-CZ2 4.16Å; R294-W392 HydrophobicContact CB-CZ3 3.87Å; R294-W392 HydrophobicContact CG-CZ2 4.48Å; R294-W392 CarbonylContact O-C 3.58Å; R294-W392 WeakPolarHBondContact O-CA 3.45Å; R294-F393 PolarHBondContact O-N 3.03Å |
| 295 | Y | 90.9 | Very high | 79.6 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.1 | -176.3 | -65.1 | -84.4 | 0 | 0 | 0 | 111.6 | M293 F297 C330 R331 W392 F393 Q395 L469 | M293-Y295 HydrophobicContact CB-CE2 3.77Å; M293-Y295 PolarHBondContact SD-OH 2.96Å; M293-Y295 VanDerWaalsContact SD-OH 3.42Å; Y295-F297 VanDerWaalsContact CB-CE2 3.45Å; Y295-F297 HydrophobicContact CG-CE2 4.26Å; Y295-F297 HydrophobicContact CG-CZ 4.28Å; Y295-C330 WeakPolarHBondContact O-CA 3.31Å; Y295-C330 VanDerWaalsContact O-CB 3.32Å; Y295-C330 WeakPolarHBondContact O-CB 3.39Å; Y295-R331 PolarHBondContact O-N 3.24Å; Y295-W392 VanDerWaalsContact O-CZ3 3.26Å; Y295-W392 WeakPolarHBondContact O-CZ3 3.38Å; Y295-F393 WeakPolarHBondContact CA-O 3.04Å; Y295-F393 HydrophobicContact CD1-CB 3.97Å; Y295-F393 HydrophobicContact CE1-CB 4.18Å; Y295-Q395 HydrophobicContact CD1-CG 3.97Å; Y295-L469 HydrophobicContact CD2-CD2 4.39Å; Y295-L469 PolarHBondContact OH-O 3.1Å; Y295-L469 VanDerWaalsContact OH-O 3.06Å |
| 296 | E | 94.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.2 | 168.9 | -174 | -177 | 99.5 | 0 | 0 | 108.2 | R331 P348 S388 W392 F393 K394 Q395 | E296-R331 WeakPolarHBondContact CA-O 3.11Å; E296-R331 HydrophobicContact CB-CB 4.38Å; E296-R331 HydrophobicContact CG-CB 4.09Å; E296-P348 HydrophobicContact CG-CB 3.88Å; E296-P348 HydrophobicContact CG-CG 4.31Å; E296-S388 WeakPolarHBondContact OE2-CB 3.37Å; E296-S388 PolarHBondContact OE2-N 2.85Å; E296-S388 PolarHBondContact OE2-OG 2.66Å; E296-W392 HydrophobicContact CB-CE3 4.33Å; E296-F393 PolarHBondContact N-O 3.32Å; E296-K394 CarbonylContact O-C 3.54Å; E296-K394 WeakPolarHBondContact O-CA 3.39Å; E296-K394 IonicContact OE1-NZ 3.2Å; E296-Q395 PolarHBondContact O-N 3.33Å |
| 297 | F | 95.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 135.7 | 179.9 | -69.1 | -84.7 | 0 | 0 | 0 | 111.3 | Y295 F299 L326 C330 R331 F332 Q333 Q395 I397 L465 A468 L469 | Y295-F297 VanDerWaalsContact CB-CE2 3.45Å; Y295-F297 HydrophobicContact CG-CE2 4.26Å; Y295-F297 HydrophobicContact CG-CZ 4.28Å; F297-F299 HydrophobicContact CB-CE2 4.19Å; F297-F299 HydrophobicContact CB-CZ 4.13Å; F297-L326 HydrophobicContact CB-CD2 4.35Å; F297-L326 HydrophobicContact CD1-CD2 4.31Å; F297-L326 HydrophobicContact CD2-CD2 3.42Å; F297-L326 VanDerWaalsContact CD2-CD2 3.42Å; F297-L326 HydrophobicContact CE2-CD2 3.69Å; F297-L326 HydrophobicContact CG-CD2 3.77Å; F297-L326 HydrophobicContact CZ-CD2 4.28Å; F297-C330 HydrophobicContact CD2-CB 4.09Å; F297-C330 HydrophobicContact CE2-CB 4.05Å; F297-R331 PolarHBondContact N-O 3.48Å; F297-F332 HydrophobicContact CB-CB 4.14Å; F297-F332 CarbonylContact O-C 3.55Å; F297-F332 WeakPolarHBondContact O-CA 3.42Å; F297-Q333 PolarHBondContact O-N 3.37Å; F297-Q395 CarbonylContact C-O 3.4Å; F297-Q395 WeakPolarHBondContact CA-O 3.35Å; F297-Q395 HydrophobicContact CD1-CB 3.78Å; F297-Q395 HydrophobicContact CD1-CG 4.25Å; F297-Q395 HydrophobicContact CE1-CB 3.86Å; F297-Q395 HydrophobicContact CE1-CG 3.9Å; F297-Q395 HydrophobicContact CZ-CG 4.39Å; F297-I397 HydrophobicContact CD1-CD1 4.45Å; F297-L465 HydrophobicContact CE1-CD1 3.94Å; F297-L465 HydrophobicContact CZ-CD1 4.31Å; F297-A468 HydrophobicContact CE1-CB 3.94Å; F297-L469 HydrophobicContact CE2-CD2 4.11Å; F297-L469 HydrophobicContact CZ-CD2 3.53Å; F297-L469 HydrophobicContact CZ-CG 4.04Å |
| 298 | V | 97 | Very high | 84.2 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 112.2 | 169.8 | -175 | 0 | 0 | 0 | 0 | 108.1 | Q333 I335 A382 Q395 I396 I397 | V298-Q333 HydrophobicContact CG1-CB 4.42Å; V298-Q333 HydrophobicContact CG2-CB 4.37Å; V298-I335 HydrophobicContact CG1-CD1 3.78Å; V298-I335 HydrophobicContact CG1-CG1 4.15Å; V298-A382 HydrophobicContact CG1-CB 4.13Å; V298-Q395 PolarHBondContact N-O 3.42Å; V298-I396 HydrophobicContact CB-CG1 4.2Å; V298-I396 CarbonylContact O-C 3.57Å; V298-I396 WeakPolarHBondContact O-CA 3.5Å; V298-I397 PolarHBondContact O-N 3.27Å |
| 299 | F | 98.4 | Very high | 86 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 107.5 | 172.8 | -55.4 | -74.3 | 0 | 0 | 0 | 108.5 | F297 I301 L319 F322 L323 L326 F332 Q333 I334 I335 I397 | F297-F299 HydrophobicContact CB-CE2 4.19Å; F297-F299 HydrophobicContact CB-CZ 4.13Å; F299-I301 HydrophobicContact CB-CD1 4.37Å; F299-I301 HydrophobicContact CB-CG1 4.4Å; F299-L319 HydrophobicContact CB-CD1 4.36Å; F299-L319 HydrophobicContact CD2-CD1 4.24Å; F299-L319 HydrophobicContact CG-CD1 4.23Å; F299-F322 HydrophobicContact CD1-CB 4.21Å; F299-F322 AromaticContact CD1-CD2 3.85Å; F299-F322 HydrophobicContact CD1-CD2 3.85Å; F299-F322 HydrophobicContact CD1-CE2 4.42Å; F299-F322 HydrophobicContact CD1-CG 4.07Å; F299-F322 HydrophobicContact CE1-CB 3.42Å; F299-F322 VanDerWaalsContact CE1-CB 3.42Å; F299-F322 AromaticContact CE1-CD1 3.96Å; F299-F322 HydrophobicContact CE1-CD1 3.96Å; F299-F322 AromaticContact CE1-CD2 3.74Å; F299-F322 HydrophobicContact CE1-CD2 3.74Å; F299-F322 HydrophobicContact CE1-CE2 4.48Å; F299-F322 AromaticContact CE1-CG 3.46Å; F299-F322 HydrophobicContact CE1-CG 3.46Å; F299-F322 VanDerWaalsContact CE1-CG 3.46Å; F299-F322 HydrophobicContact CZ-CB 3.64Å; F299-F322 HydrophobicContact CZ-CG 4.19Å; F299-L323 HydrophobicContact CE2-CD2 4.4Å; F299-L326 HydrophobicContact CE2-CD1 4.11Å; F299-L326 HydrophobicContact CZ-CD1 4.23Å; F299-L326 HydrophobicContact CZ-CD2 4.08Å; F299-L326 HydrophobicContact CZ-CG 4.34Å; F299-F332 HydrophobicContact CD2-CD2 4.49Å; F299-F332 HydrophobicContact CE2-CB 4.22Å; F299-F332 HydrophobicContact CE2-CD2 4.27Å; F299-Q333 PolarHBondContact N-O 3.25Å; F299-I334 HydrophobicContact CB-CG1 4.4Å; F299-I334 HydrophobicContact CD2-CG1 4.08Å; F299-I334 WeakPolarHBondContact O-CA 3.25Å; F299-I335 PolarHBondContact O-N 3.06Å; F299-I397 HydrophobicContact CD1-CB 4.19Å; F299-I397 HydrophobicContact CD1-CD1 4.24Å; F299-I397 HydrophobicContact CE1-CD1 3.81Å |
| 300 | L | 98.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 110 | 177.2 | -176 | 65.5 | 0 | 0 | 0 | 108.7 | I335 F337 A378 L379 I396 I397 F398 L399 | L300-I335 CarbonylContact C-O 3.47Å; L300-I335 WeakPolarHBondContact CA-O 3.39Å; L300-I335 HydrophobicContact CD1-CB 3.68Å; L300-I335 HydrophobicContact CD1-CG2 3.57Å; L300-F337 HydrophobicContact CD1-CD1 3.71Å; L300-F337 HydrophobicContact CD1-CE1 4.37Å; L300-F337 HydrophobicContact CD1-CG 4.46Å; L300-F337 HydrophobicContact CG-CD1 3.81Å; L300-F337 HydrophobicContact CG-CE1 3.96Å; L300-A378 HydrophobicContact CD1-CB 3.84Å; L300-A378 HydrophobicContact CD2-CB 4.44Å; L300-L379 HydrophobicContact CD2-CB 4.29Å; L300-L379 HydrophobicContact CD2-CD2 3.44Å; L300-L379 VanDerWaalsContact CD2-CD2 3.44Å; L300-L379 HydrophobicContact CD2-CG 3.44Å; L300-L379 VanDerWaalsContact CD2-CG 3.44Å; L300-I396 HydrophobicContact CB-CG2 4.45Å; L300-I397 PolarHBondContact N-O 2.8Å; L300-F398 HydrophobicContact CB-CD2 4.21Å; L300-F398 HydrophobicContact CD2-CD2 3.67Å; L300-F398 HydrophobicContact CD2-CE2 4.05Å; L300-F398 HydrophobicContact CD2-CG 4.5Å; L300-F398 HydrophobicContact CG-CD2 3.9Å; L300-F398 HydrophobicContact CG-CE2 4.38Å; L300-F398 WeakPolarHBondContact O-CA 3.14Å; L300-L399 PolarHBondContact O-N 3.49Å |
| 301 | I | 98.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.5 | -167.4 | -58.4 | 175 | 0 | 0 | 0 | 110.3 | F299 A315 L319 I334 I335 G336 F337 L366 L399 | F299-I301 HydrophobicContact CB-CD1 4.37Å; F299-I301 HydrophobicContact CB-CG1 4.4Å; I301-A315 HydrophobicContact CG2-CB 4.03Å; I301-L319 HydrophobicContact CD1-CB 4.05Å; I301-L319 HydrophobicContact CD1-CD1 4.02Å; I301-L319 HydrophobicContact CD1-CD2 3.72Å; I301-L319 HydrophobicContact CD1-CG 4.13Å; I301-I334 HydrophobicContact CD1-CG2 4.06Å; I301-I335 PolarHBondContact N-O 2.91Å; I301-G336 CarbonylContact O-C 3.48Å; I301-G336 WeakPolarHBondContact O-CA 3.4Å; I301-F337 VanDerWaalsContact C-CD1 3.47Å; I301-F337 VanDerWaalsContact C-CE1 3.4Å; I301-F337 VanDerWaalsContact O-CD1 3.25Å; I301-F337 WeakPolarHBondContact O-CD1 3.45Å; I301-F337 PolarHBondContact O-N 2.84Å; I301-L366 HydrophobicContact CG2-CD1 4.34Å; I301-L366 HydrophobicContact CG2-CD2 4.13Å; I301-L399 HydrophobicContact CG1-CD1 4.31Å |
| 302 | D | 97.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 128.8 | 173.2 | -160.4 | -26.7 | 0 | 0 | 0 | 111 | S304 M307 F337 T373 L399 T400 | D302-S304 WeakPolarHBondContact OD1-CB 3.39Å; D302-S304 PolarHBondContact OD1-N 2.71Å; D302-S304 PolarHBondContact OD1-OG 3.39Å; D302-M307 HydrophobicContact CB-CE 4.26Å; D302-M307 HydrophobicContact CB-CG 3.95Å; D302-M307 HydrophobicContact CB-SD 4.06Å; D302-F337 HydrophobicContact CB-CE1 3.71Å; D302-F337 HydrophobicContact CB-CE2 4.19Å; D302-F337 HydrophobicContact CB-CZ 3.43Å; D302-F337 VanDerWaalsContact CB-CZ 3.43Å; D302-F337 VanDerWaalsContact CG-CZ 3.5Å; D302-T373 WeakPolarHBondContact OD2-CG2 3.47Å; D302-L399 VanDerWaalsContact CB-O 3.23Å; D302-L399 WeakPolarHBondContact CB-O 3.34Å; D302-L399 PolarHBondContact N-O 3.41Å; D302-T400 WeakPolarHBondContact OD2-CB 3.37Å; D302-T400 PolarHBondContact OD2-OG1 3.34Å |
| 303 | R | 97.8 | Very high | 93 | Very high | 28 Ų | 28 | 24.6 Ų | 24.6 | 11% | 0.106 | 14% | 0.137 | C | C | . | . | trans | -128.5 | 18.6 | 177.9 | -65.6 | -178.3 | 64.5 | 176.3 | -1.7 | 111.1 | I312 F337 Y362 L366 N367 A368 D369 M370 | R303-I312 HydrophobicContact CG-CD1 4.45Å; R303-F337 WeakPolarHBondContact CA-O 3.27Å; R303-F337 PolarHBondContact N-O 2.92Å; R303-Y362 PolarHBondContact NH1-OH 3.09Å; R303-L366 VanDerWaalsContact CD-CD1 3.48Å; R303-L366 HydrophobicContact CG-CD1 3.8Å; R303-N367 WeakPolarHBondContact CB-O 3.46Å; R303-N367 PolarHBondContact NE-O 2.94Å; R303-A368 CarbonylContact O-C 3.56Å; R303-A368 VanDerWaalsContact O-C 3.26Å; R303-A368 WeakPolarHBondContact O-CA 3.42Å; R303-D369 IonicContact CZ-OD1 2.98Å; R303-D369 VanDerWaalsContact CZ-OD1 3.24Å; R303-D369 IonicContact NE-OD1 2.64Å; R303-D369 PolarHBondContact NE-OD1 3.37Å; R303-D369 IonicContact NH2-OD1 3.22Å; R303-D369 PolarHBondContact NH2-OD1 2.88Å; R303-D369 IonicContact NH2-OD2 2.77Å; R303-D369 PolarHBondContact NH2-OD2 3.19Å; R303-D369 PolarHBondContact O-N 2.94Å; R303-D369 VanDerWaalsContact O-N 3.1Å; R303-M370 HydrophobicContact CB-CB 3.98Å; R303-M370 HydrophobicContact CB-CG 3.69Å; R303-M370 HydrophobicContact CB-SD 3.75Å; R303-M370 HydrophobicContact CG-SD 4.24Å; R303-M370 WeakPolarHBondContact O-CB 3.46Å; R303-M370 PolarHBondContact O-N 3.29Å | ||
| 304 | S | 95 | Very high | 94 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -61 | 164.7 | 172.4 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | D302 S306 M307 A368 G371 G372 T373 | D302-S304 WeakPolarHBondContact OD1-CB 3.39Å; D302-S304 PolarHBondContact OD1-N 2.71Å; D302-S304 PolarHBondContact OD1-OG 3.39Å; S304-S306 PolarHBondContact O-N 2.78Å; S304-S306 PolarHBondContact OG-OG 3.38Å; S304-M307 WeakPolarHBondContact O-CB 3.24Å; S304-M307 PolarHBondContact O-N 2.92Å; S304-A368 WeakPolarHBondContact O-CB 3.01Å; S304-G371 CarbonylContact C-O 3.56Å; S304-G371 WeakPolarHBondContact CA-O 3.48Å; S304-G371 WeakPolarHBondContact CB-O 3.1Å; S304-G372 WeakPolarHBondContact CB-O 2.78Å; S304-T373 WeakPolarHBondContact CB-OG1 3.31Å; S304-T373 PolarHBondContact OG-OG1 3.48Å |
| 305 | G | 90.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 18.3 Ų | 18.3 | 21% | 0.206 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -64.3 | -23.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M307 E308 G371 | G305-M307 PolarHBondContact O-N 2.87Å; G305-E308 WeakPolarHBondContact O-CB 3.36Å; G305-E308 PolarHBondContact O-N 3.46Å; G305-G371 PolarHBondContact N-O 2.81Å |
| 306 | S | 86.9 | Confident | 94.7 | Very high | 31 Ų | 31 | 20.2 Ų | 20.2 | 22% | 0.217 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -67.8 | -25.5 | 176.7 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | S304 E308 D401 R645 | S304-S306 PolarHBondContact O-N 2.78Å; S304-S306 PolarHBondContact OG-OG 3.38Å; S306-E308 PolarHBondContact O-N 3.06Å; S306-D401 VanDerWaalsContact C-OD2 3.22Å; S306-D401 WeakPolarHBondContact CB-OD2 3.24Å; S306-D401 PolarHBondContact OG-OD1 3.22Å; S306-D401 PolarHBondContact OG-OD2 3.4Å; S306-R645 PolarHBondContact O-NH1 2.77Å |
| 307 | M | 93.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -70 | -7 | 175.1 | -63 | -68.3 | -70.6 | 0 | 0 | 114.1 | D302 S304 G305 N311 I312 A315 A368 D401 L428 | D302-M307 HydrophobicContact CB-CE 4.26Å; D302-M307 HydrophobicContact CB-CG 3.95Å; D302-M307 HydrophobicContact CB-SD 4.06Å; S304-M307 WeakPolarHBondContact O-CB 3.24Å; S304-M307 PolarHBondContact O-N 2.92Å; G305-M307 PolarHBondContact O-N 2.87Å; M307-N311 HydrophobicContact CB-CB 4.49Å; M307-N311 HydrophobicContact CE-CB 4.13Å; M307-N311 HydrophobicContact SD-CB 4.02Å; M307-I312 HydrophobicContact CB-CB 4.37Å; M307-I312 HydrophobicContact CB-CD1 4.43Å; M307-I312 WeakPolarHBondContact O-CB 3.43Å; M307-I312 WeakPolarHBondContact O-CG2 3.22Å; M307-I312 PolarHBondContact O-N 3.14Å; M307-A315 HydrophobicContact CE-CB 4.1Å; M307-A368 HydrophobicContact CB-CB 4Å; M307-D401 PolarHBondContact N-OD2 3.31Å; M307-D401 HydrophobicContact SD-CB 3.88Å; M307-L428 HydrophobicContact CE-CD1 3.66Å |
| 308 | E | 91.5 | Very high | 94.8 | Very high | 84 Ų | 84 | 21.3 Ų | 21.3 | 39% | 0.393 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 140.2 | 179.1 | -171 | 176.8 | -168.8 | 0 | 0 | 112.2 | G305 S306 A368 R645 | G305-E308 WeakPolarHBondContact O-CB 3.36Å; G305-E308 PolarHBondContact O-N 3.46Å; S306-E308 PolarHBondContact O-N 3.06Å; E308-A368 HydrophobicContact CB-CB 4.2Å; E308-R645 PolarHBondContact O-NH1 2.85Å; E308-R645 PolarHBondContact O-NH2 2.98Å |
| 309 | G | 91.3 | Very high | 94.9 | Very high | 43 Ų | 43 | 21.2 Ų | 21.2 | 44% | 0.443 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -132 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N311 I312 | G309-N311 VanDerWaalsContact C-N 3.35Å; G309-N311 PolarHBondContact O-N 2.85Å; G309-I312 WeakPolarHBondContact O-CG2 3.39Å |
| 310 | D | 90.7 | Very high | 94.7 | Very high | 79 Ų | 79 | 21.4 Ų | 21.4 | 42% | 0.422 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -67.1 | -33.6 | -175 | -68 | -28.2 | 0 | 0 | 0 | 112.8 | I312 S313 Y314 | D310-I312 PolarHBondContact O-N 3.09Å; D310-S313 CarbonylContact O-C 3.53Å; D310-S313 WeakPolarHBondContact O-CA 3.37Å; D310-S313 VanDerWaalsContact O-CB 3.25Å; D310-S313 WeakPolarHBondContact O-CB 3.42Å; D310-S313 PolarHBondContact O-N 3.27Å; D310-Y314 HydrophobicContact CB-CE1 4.34Å; D310-Y314 HydrophobicContact CB-CE2 3.95Å; D310-Y314 WeakPolarHBondContact O-CD2 3.21Å; D310-Y314 VanDerWaalsContact O-CG 3.22Å; D310-Y314 PolarHBondContact O-N 3.47Å |
| 311 | N | 93.6 | Very high | 94.6 | Very high | 23 Ų | 23 | 21.4 Ų | 21.4 | 12% | 0.123 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.1 | -46.5 | -176.9 | -73.6 | -4.7 | 0 | 0 | 0 | 112.7 | M307 G309 S313 Y314 A315 G429 | M307-N311 HydrophobicContact CB-CB 4.49Å; M307-N311 HydrophobicContact CE-CB 4.13Å; M307-N311 HydrophobicContact SD-CB 4.02Å; G309-N311 VanDerWaalsContact C-N 3.35Å; G309-N311 PolarHBondContact O-N 2.85Å; N311-S313 VanDerWaalsContact C-N 3.3Å; N311-S313 PolarHBondContact O-N 2.78Å; N311-Y314 WeakPolarHBondContact O-CB 3.38Å; N311-Y314 PolarHBondContact O-N 3.13Å; N311-A315 PolarHBondContact O-N 2.82Å; N311-G429 WeakPolarHBondContact OD1-CA 3.28Å; N311-G429 PolarHBondContact OD1-N 3.21Å |
| 312 | I | 96.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 21.4 Ų | 21.4 | 8% | 0.077 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69 | -30.5 | 175.5 | -164 | 67.8 | 0 | 0 | 0 | 111.7 | R303 M307 G309 D310 A315 K316 L366 A368 | R303-I312 HydrophobicContact CG-CD1 4.45Å; M307-I312 HydrophobicContact CB-CB 4.37Å; M307-I312 HydrophobicContact CB-CD1 4.43Å; M307-I312 WeakPolarHBondContact O-CB 3.43Å; M307-I312 WeakPolarHBondContact O-CG2 3.22Å; M307-I312 PolarHBondContact O-N 3.14Å; G309-I312 WeakPolarHBondContact O-CG2 3.39Å; D310-I312 PolarHBondContact O-N 3.09Å; I312-A315 HydrophobicContact CD1-CB 4.41Å; I312-A315 PolarHBondContact O-N 3.08Å; I312-K316 WeakPolarHBondContact O-CG 3.43Å; I312-K316 PolarHBondContact O-N 3.3Å; I312-L366 HydrophobicContact CD1-CD2 4.2Å; I312-L366 HydrophobicContact CD1-CG 4.01Å; I312-A368 HydrophobicContact CB-CB 4.32Å; I312-A368 HydrophobicContact CG1-CB 4.4Å |
| 313 | S | 94.8 | Very high | 94.4 | Very high | 37 Ų | 37 | 21.4 Ų | 21.4 | 26% | 0.259 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 172.7 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | D310 N311 K316 T317 | D310-S313 CarbonylContact O-C 3.53Å; D310-S313 WeakPolarHBondContact O-CA 3.37Å; D310-S313 VanDerWaalsContact O-CB 3.25Å; D310-S313 WeakPolarHBondContact O-CB 3.42Å; D310-S313 PolarHBondContact O-N 3.27Å; N311-S313 VanDerWaalsContact C-N 3.3Å; N311-S313 PolarHBondContact O-N 2.78Å; S313-K316 WeakPolarHBondContact O-CB 3.35Å; S313-K316 PolarHBondContact O-N 3.48Å; S313-T317 PolarHBondContact O-N 3.42Å; S313-T317 PolarHBondContact O-OG1 3.39Å |
| 314 | Y | 95.7 | Very high | 94.2 | Very high | 14 Ų | 14 | 21 Ų | 21 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 172.3 | -60.5 | -24.7 | 0 | 0 | 0 | 111.5 | D310 N311 K316 T317 S318 V451 P454 L457 | D310-Y314 HydrophobicContact CB-CE1 4.34Å; D310-Y314 HydrophobicContact CB-CE2 3.95Å; D310-Y314 WeakPolarHBondContact O-CD2 3.21Å; D310-Y314 VanDerWaalsContact O-CG 3.22Å; D310-Y314 PolarHBondContact O-N 3.47Å; N311-Y314 WeakPolarHBondContact O-CB 3.38Å; N311-Y314 PolarHBondContact O-N 3.13Å; Y314-K316 PolarHBondContact O-N 2.85Å; Y314-T317 PolarHBondContact O-N 3.5Å; Y314-S318 WeakPolarHBondContact O-CB 3.33Å; Y314-S318 PolarHBondContact O-N 2.83Å; Y314-S318 PolarHBondContact O-OG 3.1Å; Y314-V451 HydrophobicContact CD2-CG1 4.26Å; Y314-V451 HydrophobicContact CG-CG1 4.46Å; Y314-P454 HydrophobicContact CE1-CB 4.14Å; Y314-P454 HydrophobicContact CE1-CG 3.94Å; Y314-P454 VanDerWaalsContact OH-CD 3.26Å; Y314-P454 WeakPolarHBondContact OH-CD 3.36Å; Y314-P454 WeakPolarHBondContact OH-CG 3.38Å; Y314-L457 HydrophobicContact CD1-CD2 3.9Å; Y314-L457 HydrophobicContact CG-CD1 4.5Å; Y314-L457 HydrophobicContact CG-CD2 4.46Å |
| 315 | A | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I301 M307 N311 I312 T317 S318 L319 L366 L428 | I301-A315 HydrophobicContact CG2-CB 4.03Å; M307-A315 HydrophobicContact CE-CB 4.1Å; N311-A315 PolarHBondContact O-N 2.82Å; I312-A315 HydrophobicContact CD1-CB 4.41Å; I312-A315 PolarHBondContact O-N 3.08Å; A315-T317 PolarHBondContact O-N 2.8Å; A315-S318 PolarHBondContact O-N 2.75Å; A315-L319 WeakPolarHBondContact O-CB 3.28Å; A315-L319 PolarHBondContact O-N 3.43Å; A315-L366 HydrophobicContact CB-CD2 4.25Å; A315-L428 HydrophobicContact CB-CD1 3.98Å |
| 316 | K | 96.5 | Very high | 94.2 | Very high | 47 Ų | 47 | 20.2 Ų | 20.2 | 20% | 0.204 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.4 | -52 | 174 | -82.3 | -172.3 | -176.8 | -171 | 0 | 112 | I312 S313 Y314 L319 L320 Q363 K364 L366 | I312-K316 WeakPolarHBondContact O-CG 3.43Å; I312-K316 PolarHBondContact O-N 3.3Å; S313-K316 WeakPolarHBondContact O-CB 3.35Å; S313-K316 PolarHBondContact O-N 3.48Å; Y314-K316 PolarHBondContact O-N 2.85Å; K316-L319 PolarHBondContact O-N 3.2Å; K316-L320 PolarHBondContact O-N 2.89Å; K316-Q363 WeakPolarHBondContact O-CG 3.26Å; K316-Q363 PolarHBondContact O-NE2 2.96Å; K316-K364 PolarHBondContact NZ-O 2.71Å; K316-L366 WeakPolarHBondContact CE-O 3.36Å; K316-L366 HydrophobicContact CG-CB 3.94Å; K316-L366 HydrophobicContact CG-CD2 3.84Å; K316-L366 HydrophobicContact CG-CG 4.33Å; K316-L366 PolarHBondContact NZ-O 2.99Å |
| 317 | T | 94.7 | Very high | 94.3 | Very high | 23 Ų | 23 | 19.9 Ų | 19.9 | 14% | 0.141 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.8 | -36.5 | -176 | -57.8 | 0 | 0 | 0 | 0 | 111 | S313 Y314 A315 L320 L321 L457 I711 | S313-T317 PolarHBondContact O-N 3.42Å; S313-T317 PolarHBondContact O-OG1 3.39Å; Y314-T317 PolarHBondContact O-N 3.5Å; A315-T317 PolarHBondContact O-N 2.8Å; T317-L320 WeakPolarHBondContact O-CB 3.4Å; T317-L320 PolarHBondContact O-N 3.4Å; T317-L321 HydrophobicContact CG2-CD1 4.3Å; T317-L321 WeakPolarHBondContact O-CG 3.23Å; T317-L321 PolarHBondContact O-N 3.1Å; T317-L457 HydrophobicContact CG2-CD2 3.7Å; T317-I711 HydrophobicContact CG2-CD1 4.39Å; T317-I711 HydrophobicContact CG2-CG2 4.22Å |
| 318 | S | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.6 | -50.5 | 171.8 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | Y314 A315 L320 L321 F322 L457 V461 | Y314-S318 WeakPolarHBondContact O-CB 3.33Å; Y314-S318 PolarHBondContact O-N 2.83Å; Y314-S318 PolarHBondContact O-OG 3.1Å; A315-S318 PolarHBondContact O-N 2.75Å; S318-L320 VanDerWaalsContact C-N 3.31Å; S318-L320 PolarHBondContact O-N 2.99Å; S318-L321 PolarHBondContact O-N 2.94Å; S318-F322 WeakPolarHBondContact O-CD2 3.34Å; S318-F322 WeakPolarHBondContact O-CG 3.36Å; S318-F322 PolarHBondContact O-N 3.29Å; S318-L457 VanDerWaalsContact OG-CD1 3.3Å; S318-L457 WeakPolarHBondContact OG-CD1 3.4Å; S318-V461 VanDerWaalsContact OG-CG2 3.3Å; S318-V461 WeakPolarHBondContact OG-CG2 3.34Å |
| 319 | L | 97.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 179.6 | 178.3 | 59.1 | 0 | 0 | 0 | 111.6 | F299 I301 A315 K316 F322 L323 I334 Y362 Q363 | F299-L319 HydrophobicContact CB-CD1 4.36Å; F299-L319 HydrophobicContact CD2-CD1 4.24Å; F299-L319 HydrophobicContact CG-CD1 4.23Å; I301-L319 HydrophobicContact CD1-CB 4.05Å; I301-L319 HydrophobicContact CD1-CD1 4.02Å; I301-L319 HydrophobicContact CD1-CD2 3.72Å; I301-L319 HydrophobicContact CD1-CG 4.13Å; A315-L319 WeakPolarHBondContact O-CB 3.28Å; A315-L319 PolarHBondContact O-N 3.43Å; K316-L319 PolarHBondContact O-N 3.2Å; L319-F322 PolarHBondContact O-N 2.81Å; L319-L323 HydrophobicContact CD1-CD1 3.84Å; L319-L323 HydrophobicContact CD1-CD2 4.35Å; L319-L323 HydrophobicContact CD1-CG 3.82Å; L319-L323 HydrophobicContact CG-CD1 3.81Å; L319-L323 HydrophobicContact CG-CG 4.25Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 WeakPolarHBondContact O-CG 3.44Å; L319-L323 PolarHBondContact O-N 2.73Å; L319-I334 HydrophobicContact CD1-CD1 3.75Å; L319-I334 HydrophobicContact CD1-CG1 4.09Å; L319-I334 HydrophobicContact CD2-CD1 4.03Å; L319-I334 HydrophobicContact CD2-CG2 4.46Å; L319-I334 HydrophobicContact CG-CD1 4.41Å; L319-Y362 HydrophobicContact CD2-CD1 4.2Å; L319-Q363 HydrophobicContact CB-CG 4.11Å; L319-Q363 HydrophobicContact CD2-CB 3.71Å; L319-Q363 HydrophobicContact CD2-CG 3.95Å; L319-Q363 HydrophobicContact CG-CB 4.14Å; L319-Q363 HydrophobicContact CG-CG 4.01Å |
| 320 | L | 95.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55 | -54.1 | 173.4 | 168.3 | 66.2 | 0 | 0 | 0 | 111.5 | K316 T317 S318 F322 L323 K324 M360 Q363 M707 I711 E715 | K316-L320 PolarHBondContact O-N 2.89Å; T317-L320 WeakPolarHBondContact O-CB 3.4Å; T317-L320 PolarHBondContact O-N 3.4Å; S318-L320 VanDerWaalsContact C-N 3.31Å; S318-L320 PolarHBondContact O-N 2.99Å; L320-F322 VanDerWaalsContact C-N 3.34Å; L320-F322 PolarHBondContact O-N 3.11Å; L320-L323 PolarHBondContact O-N 3.42Å; L320-K324 HydrophobicContact CD1-CG 4.04Å; L320-K324 WeakPolarHBondContact O-CG 3.29Å; L320-K324 PolarHBondContact O-N 2.82Å; L320-M360 HydrophobicContact CD1-CE 3.35Å; L320-M360 HydrophobicContact CD1-SD 3.8Å; L320-Q363 HydrophobicContact CB-CG 4.32Å; L320-M707 HydrophobicContact CD2-CE 3.65Å; L320-I711 HydrophobicContact CD2-CG2 4.21Å; L320-E715 HydrophobicContact CD1-CB 4.35Å; L320-E715 HydrophobicContact CD1-CG 4.16Å; L320-E715 HydrophobicContact CD2-CB 4.28Å; L320-E715 HydrophobicContact CD2-CG 4.38Å |
| 321 | L | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | -178.1 | -73.9 | 170.6 | 0 | 0 | 0 | 111.6 | T317 S318 S325 Q458 V461 I711 A714 | T317-L321 HydrophobicContact CG2-CD1 4.3Å; T317-L321 WeakPolarHBondContact O-CG 3.23Å; T317-L321 PolarHBondContact O-N 3.1Å; S318-L321 PolarHBondContact O-N 2.94Å; L321-S325 WeakPolarHBondContact O-CB 3.14Å; L321-S325 PolarHBondContact O-N 3.27Å; L321-S325 PolarHBondContact O-OG 3.49Å; L321-Q458 HydrophobicContact CD1-CB 4.12Å; L321-Q458 HydrophobicContact CD1-CG 3.81Å; L321-Q458 HydrophobicContact CD2-CG 4.36Å; L321-V461 HydrophobicContact CB-CG1 3.67Å; L321-V461 HydrophobicContact CD1-CB 4.26Å; L321-V461 HydrophobicContact CD1-CG1 4.09Å; L321-V461 HydrophobicContact CD1-CG2 4.49Å; L321-I711 HydrophobicContact CD2-CG2 4.18Å; L321-A714 HydrophobicContact CD2-CB 4.06Å |
| 322 | F | 96.2 | Very high | 94 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.1 | -55 | 174.1 | -72.3 | -50.8 | 0 | 0 | 0 | 111.6 | F299 S318 L319 L320 K324 S325 L326 I397 L399 I426 V461 T464 L465 | F299-F322 HydrophobicContact CD1-CB 4.21Å; F299-F322 AromaticContact CD1-CD2 3.85Å; F299-F322 HydrophobicContact CD1-CD2 3.85Å; F299-F322 HydrophobicContact CD1-CE2 4.42Å; F299-F322 HydrophobicContact CD1-CG 4.07Å; F299-F322 HydrophobicContact CE1-CB 3.42Å; F299-F322 VanDerWaalsContact CE1-CB 3.42Å; F299-F322 AromaticContact CE1-CD1 3.96Å; F299-F322 HydrophobicContact CE1-CD1 3.96Å; F299-F322 AromaticContact CE1-CD2 3.74Å; F299-F322 HydrophobicContact CE1-CD2 3.74Å; F299-F322 HydrophobicContact CE1-CE2 4.48Å; F299-F322 AromaticContact CE1-CG 3.46Å; F299-F322 HydrophobicContact CE1-CG 3.46Å; F299-F322 VanDerWaalsContact CE1-CG 3.46Å; F299-F322 HydrophobicContact CZ-CB 3.64Å; F299-F322 HydrophobicContact CZ-CG 4.19Å; S318-F322 WeakPolarHBondContact O-CD2 3.34Å; S318-F322 WeakPolarHBondContact O-CG 3.36Å; S318-F322 PolarHBondContact O-N 3.29Å; L319-F322 PolarHBondContact O-N 2.81Å; L320-F322 VanDerWaalsContact C-N 3.34Å; L320-F322 PolarHBondContact O-N 3.11Å; F322-K324 VanDerWaalsContact C-N 3.25Å; F322-K324 PolarHBondContact O-N 2.94Å; F322-S325 CarbonylContact O-C 3.54Å; F322-S325 PolarHBondContact O-N 2.77Å; F322-L326 WeakPolarHBondContact O-CG 3.19Å; F322-L326 PolarHBondContact O-N 3.38Å; F322-I397 HydrophobicContact CD1-CD1 4.24Å; F322-I397 HydrophobicContact CE1-CD1 3.84Å; F322-I397 HydrophobicContact CE1-CG2 4.49Å; F322-I397 HydrophobicContact CE2-CG2 4.02Å; F322-I397 HydrophobicContact CZ-CD1 4.14Å; F322-I397 HydrophobicContact CZ-CG2 3.74Å; F322-L399 HydrophobicContact CE2-CD1 4.22Å; F322-L399 HydrophobicContact CE2-CD2 4.31Å; F322-I426 HydrophobicContact CE2-CD1 4.18Å; F322-I426 HydrophobicContact CZ-CD1 3.66Å; F322-V461 HydrophobicContact CD1-CG1 3.84Å; F322-V461 HydrophobicContact CD2-CG1 4.32Å; F322-V461 HydrophobicContact CE1-CG1 3.63Å; F322-V461 WeakPolarHBondContact CE1-O 3.39Å; F322-V461 HydrophobicContact CE2-CG1 4.12Å; F322-V461 HydrophobicContact CG-CG1 4.17Å; F322-V461 HydrophobicContact CZ-CB 4.38Å; F322-V461 HydrophobicContact CZ-CG1 3.78Å; F322-V461 HydrophobicContact CZ-CG2 4.46Å; F322-T464 HydrophobicContact CE1-CG2 4.43Å; F322-T464 HydrophobicContact CZ-CG2 4.3Å; F322-L465 HydrophobicContact CD1-CB 3.92Å; F322-L465 HydrophobicContact CD1-CD1 4.25Å; F322-L465 HydrophobicContact CD1-CD2 4.18Å; F322-L465 HydrophobicContact CD1-CG 4.33Å; F322-L465 HydrophobicContact CE1-CB 3.87Å |
| 323 | L | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.1 | -35.4 | -176.3 | -72.7 | 173.2 | 0 | 0 | 0 | 112.9 | F299 L319 L320 L326 F332 I334 Y351 L356 A359 M360 | F299-L323 HydrophobicContact CE2-CD2 4.4Å; L319-L323 HydrophobicContact CD1-CD1 3.84Å; L319-L323 HydrophobicContact CD1-CD2 4.35Å; L319-L323 HydrophobicContact CD1-CG 3.82Å; L319-L323 HydrophobicContact CG-CD1 3.81Å; L319-L323 HydrophobicContact CG-CG 4.25Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 WeakPolarHBondContact O-CG 3.44Å; L319-L323 PolarHBondContact O-N 2.73Å; L320-L323 PolarHBondContact O-N 3.42Å; L323-L326 HydrophobicContact CD2-CD1 4.41Å; L323-F332 HydrophobicContact CD2-CD2 3.84Å; L323-F332 HydrophobicContact CD2-CE2 3.51Å; L323-F332 HydrophobicContact CD2-CZ 4.16Å; L323-I334 HydrophobicContact CD1-CD1 4.36Å; L323-I334 HydrophobicContact CD2-CD1 4.29Å; L323-Y351 VanDerWaalsContact O-CE2 3.26Å; L323-Y351 WeakPolarHBondContact O-CE2 3.46Å; L323-Y351 VanDerWaalsContact O-CZ 3.31Å; L323-Y351 PolarHBondContact O-OH 2.67Å; L323-L356 HydrophobicContact CB-CD1 3.88Å; L323-A359 HydrophobicContact CD1-CB 3.74Å; L323-A359 HydrophobicContact CD2-CB 3.9Å; L323-A359 HydrophobicContact CG-CB 4.49Å; L323-M360 HydrophobicContact CD1-SD 4.28Å |
| 324 | K | 94.2 | Very high | 94.1 | Very high | 19 Ų | 19 | 17.4 Ų | 17.4 | 8% | 0.083 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -76.7 | -32.6 | 177.2 | -66.6 | -67.5 | -167.3 | 166.3 | 0 | 112.5 | L320 F322 A714 E715 Q717 K784 | L320-K324 HydrophobicContact CD1-CG 4.04Å; L320-K324 WeakPolarHBondContact O-CG 3.29Å; L320-K324 PolarHBondContact O-N 2.82Å; F322-K324 VanDerWaalsContact C-N 3.25Å; F322-K324 PolarHBondContact O-N 2.94Å; K324-A714 VanDerWaalsContact CD-O 3.28Å; K324-A714 WeakPolarHBondContact CD-O 3.23Å; K324-A714 WeakPolarHBondContact CE-O 3.13Å; K324-A714 VanDerWaalsContact CG-O 3.27Å; K324-A714 WeakPolarHBondContact CG-O 3.46Å; K324-E715 WeakPolarHBondContact CE-O 3.19Å; K324-E715 PolarHBondContact NZ-O 3.44Å; K324-Q717 PolarHBondContact NZ-O 3.46Å; K324-K784 PolarHBondContact O-NZ 3.2Å |
| 325 | S | 92.4 | Very high | 94.2 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 4% | 0.035 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -88.5 | -4.8 | -177.5 | -55.4 | 0 | 0 | 0 | 0 | 114.6 | L321 F322 I781 | L321-S325 WeakPolarHBondContact O-CB 3.14Å; L321-S325 PolarHBondContact O-N 3.27Å; L321-S325 PolarHBondContact O-OG 3.49Å; F322-S325 CarbonylContact O-C 3.54Å; F322-S325 PolarHBondContact O-N 2.77Å; S325-I781 WeakPolarHBondContact OG-CG1 3.32Å |
| 326 | L | 92.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -61.2 | 141.7 | 176.5 | -79.5 | 179.3 | 0 | 0 | 0 | 112.6 | F297 F299 F322 L323 F332 Y351 L465 K784 | F297-L326 HydrophobicContact CB-CD2 4.35Å; F297-L326 HydrophobicContact CD1-CD2 4.31Å; F297-L326 HydrophobicContact CD2-CD2 3.42Å; F297-L326 VanDerWaalsContact CD2-CD2 3.42Å; F297-L326 HydrophobicContact CE2-CD2 3.69Å; F297-L326 HydrophobicContact CG-CD2 3.77Å; F297-L326 HydrophobicContact CZ-CD2 4.28Å; F299-L326 HydrophobicContact CE2-CD1 4.11Å; F299-L326 HydrophobicContact CZ-CD1 4.23Å; F299-L326 HydrophobicContact CZ-CD2 4.08Å; F299-L326 HydrophobicContact CZ-CG 4.34Å; F322-L326 WeakPolarHBondContact O-CG 3.19Å; F322-L326 PolarHBondContact O-N 3.38Å; L323-L326 HydrophobicContact CD2-CD1 4.41Å; L326-F332 HydrophobicContact CD1-CB 3.97Å; L326-F332 HydrophobicContact CD1-CD1 4.29Å; L326-F332 HydrophobicContact CD1-CG 4.01Å; L326-Y351 HydrophobicContact CB-CD1 4.45Å; L326-Y351 HydrophobicContact CB-CD2 4.13Å; L326-Y351 HydrophobicContact CB-CE1 4.34Å; L326-Y351 HydrophobicContact CB-CE2 3.94Å; L326-Y351 HydrophobicContact CB-CG 4.41Å; L326-Y351 HydrophobicContact CD1-CD2 3.83Å; L326-Y351 HydrophobicContact CD1-CE2 4Å; L326-L465 HydrophobicContact CD2-CD1 4.45Å; L326-K784 PolarHBondContact O-NZ 3.24Å |
| 327 | P | 88.5 | Confident | 94.4 | Very high | 23 Ų | 23 | 15 Ų | 15 | 15% | 0.149 | 8% | 0.084 | C | C | . | . | trans | -62.7 | 154.6 | 171 | -19.2 | 30.6 | 0 | 0 | 0 | 113 | S329 C330 Y351 L469 | P327-S329 VanDerWaalsContact C-N 3.26Å; P327-S329 PolarHBondContact O-N 3.05Å; P327-C330 PolarHBondContact O-SG 3.18Å; P327-Y351 WeakPolarHBondContact O-CD1 3.39Å; P327-L469 HydrophobicContact CG-CD1 4.36Å; P327-L469 HydrophobicContact CG-CD2 3.32Å | ||
| 328 | M | 85.7 | Confident | 94.4 | Very high | 69 Ų | 69 | 14 Ų | 14 | 34% | 0.34 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22 | -179.8 | -69.5 | -74 | -71.9 | 0 | 0 | 114.3 | Y351 F719 | M328-Y351 HydrophobicContact SD-CE1 4.42Å; M328-F719 HydrophobicContact CE-CD1 3.95Å; M328-F719 HydrophobicContact CE-CE1 3.24Å; M328-F719 HydrophobicContact CE-CZ 3.75Å; M328-F719 HydrophobicContact SD-CD1 4.01Å; M328-F719 HydrophobicContact SD-CE1 3.53Å; M328-F719 VanDerWaalsContact SD-CE1 3.53Å; M328-F719 HydrophobicContact SD-CE2 4.2Å; M328-F719 HydrophobicContact SD-CZ 3.6Å; M328-F719 VanDerWaalsContact SD-CZ 3.6Å; M328-F719 VanDerWaalsContact SD-O 3.37Å |
| 329 | S | 86.1 | Confident | 94.3 | Very high | 96 Ų | 96 | 17 Ų | 17 | 67% | 0.671 | 10% | 0.099 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 44.2 | -174.7 | -56.6 | 0 | 0 | 0 | 0 | 112 | P327 | P327-S329 VanDerWaalsContact C-N 3.26Å; P327-S329 PolarHBondContact O-N 3.05Å |
| 330 | C | 91.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.02 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 166.9 | 175.3 | 76 | 0 | 0 | 0 | 0 | 112.1 | Y295 F297 P327 Y351 | Y295-C330 WeakPolarHBondContact O-CA 3.31Å; Y295-C330 VanDerWaalsContact O-CB 3.32Å; Y295-C330 WeakPolarHBondContact O-CB 3.39Å; F297-C330 HydrophobicContact CD2-CB 4.09Å; F297-C330 HydrophobicContact CE2-CB 4.05Å; P327-C330 PolarHBondContact O-SG 3.18Å; C330-Y351 WeakPolarHBondContact O-CB 3.17Å; C330-Y351 PolarHBondContact O-N 2.98Å |
| 331 | R | 94.2 | Very high | 94.1 | Very high | 54 Ų | 54 | 25.8 Ų | 25.8 | 20% | 0.204 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 153.8 | 164 | -77.2 | 173.5 | -178.9 | 167.5 | -1.6 | 109.3 | Y295 E296 F297 T349 D350 S388 W392 | Y295-R331 PolarHBondContact O-N 3.24Å; E296-R331 WeakPolarHBondContact CA-O 3.11Å; E296-R331 HydrophobicContact CB-CB 4.38Å; E296-R331 HydrophobicContact CG-CB 4.09Å; F297-R331 PolarHBondContact N-O 3.48Å; R331-T349 CarbonylContact C-O 3.37Å; R331-T349 VanDerWaalsContact CA-O 3.28Å; R331-T349 WeakPolarHBondContact CA-O 3.49Å; R331-D350 WeakPolarHBondContact CG-OD1 3.33Å; R331-D350 IonicContact CZ-OD1 3.75Å; R331-D350 IonicContact NE-OD1 2.93Å; R331-D350 PolarHBondContact NE-OD1 2.78Å; R331-D350 IonicContact NH2-OD1 3.96Å; R331-S388 PolarHBondContact NH1-O 3.18Å; R331-W392 HydrophobicContact CB-CH2 4.43Å; R331-W392 HydrophobicContact CB-CZ3 3.94Å; R331-W392 HydrophobicContact CG-CH2 3.7Å; R331-W392 HydrophobicContact CG-CZ3 3.71Å |
| 332 | F | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 159.8 | 172.6 | 78.1 | -73.7 | 0 | 0 | 0 | 113 | F297 F299 L323 L326 I334 F345 T349 Y351 A359 | F297-F332 HydrophobicContact CB-CB 4.14Å; F297-F332 CarbonylContact O-C 3.55Å; F297-F332 WeakPolarHBondContact O-CA 3.42Å; F299-F332 HydrophobicContact CD2-CD2 4.49Å; F299-F332 HydrophobicContact CE2-CB 4.22Å; F299-F332 HydrophobicContact CE2-CD2 4.27Å; L323-F332 HydrophobicContact CD2-CD2 3.84Å; L323-F332 HydrophobicContact CD2-CE2 3.51Å; L323-F332 HydrophobicContact CD2-CZ 4.16Å; L326-F332 HydrophobicContact CD1-CB 3.97Å; L326-F332 HydrophobicContact CD1-CD1 4.29Å; L326-F332 HydrophobicContact CD1-CG 4.01Å; F332-I334 HydrophobicContact CD2-CG1 4.32Å; F332-I334 HydrophobicContact CE2-CD1 4.22Å; F332-I334 HydrophobicContact CE2-CG1 4.35Å; F332-F345 HydrophobicContact CD2-CE2 4.33Å; F332-F345 HydrophobicContact CE1-CE2 4.39Å; F332-F345 AromaticContact CE2-CE2 3.69Å; F332-F345 HydrophobicContact CE2-CE2 3.69Å; F332-F345 HydrophobicContact CE2-CZ 4.25Å; F332-F345 AromaticContact CZ-CE2 3.72Å; F332-F345 HydrophobicContact CZ-CE2 3.72Å; F332-F345 AromaticContact CZ-CZ 3.94Å; F332-F345 HydrophobicContact CZ-CZ 3.94Å; F332-T349 PolarHBondContact N-O 2.99Å; F332-T349 PolarHBondContact O-N 2.78Å; F332-Y351 AromaticContact CD1-CD2 3.98Å; F332-Y351 HydrophobicContact CD1-CD2 3.98Å; F332-Y351 AromaticContact CE1-CD2 3.86Å; F332-Y351 HydrophobicContact CE1-CD2 3.86Å; F332-A359 HydrophobicContact CE2-CB 3.68Å; F332-A359 HydrophobicContact CZ-CB 3.85Å |
| 333 | Q | 96.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150 | 172.6 | 178.9 | 62.9 | -81.7 | 0 | 0 | 108.6 | F297 V298 F299 I335 F345 P348 | F297-Q333 PolarHBondContact O-N 3.37Å; V298-Q333 HydrophobicContact CG1-CB 4.42Å; V298-Q333 HydrophobicContact CG2-CB 4.37Å; F299-Q333 PolarHBondContact N-O 3.25Å; Q333-I335 HydrophobicContact CG-CD1 4.37Å; Q333-I335 HydrophobicContact CG-CG1 3.89Å; Q333-F345 PolarHBondContact NE2-O 2.84Å; Q333-P348 HydrophobicContact CB-CB 4.31Å; Q333-P348 HydrophobicContact CB-CG 4.24Å |
| 334 | I | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128.3 | 169.5 | -58.2 | 168.6 | 0 | 0 | 0 | 107.4 | F299 I301 L319 L323 F332 A343 L344 A359 Y362 | F299-I334 HydrophobicContact CB-CG1 4.4Å; F299-I334 HydrophobicContact CD2-CG1 4.08Å; F299-I334 WeakPolarHBondContact O-CA 3.25Å; I301-I334 HydrophobicContact CD1-CG2 4.06Å; L319-I334 HydrophobicContact CD1-CD1 3.75Å; L319-I334 HydrophobicContact CD1-CG1 4.09Å; L319-I334 HydrophobicContact CD2-CD1 4.03Å; L319-I334 HydrophobicContact CD2-CG2 4.46Å; L319-I334 HydrophobicContact CG-CD1 4.41Å; L323-I334 HydrophobicContact CD1-CD1 4.36Å; L323-I334 HydrophobicContact CD2-CD1 4.29Å; F332-I334 HydrophobicContact CD2-CG1 4.32Å; F332-I334 HydrophobicContact CE2-CD1 4.22Å; F332-I334 HydrophobicContact CE2-CG1 4.35Å; I334-A343 CarbonylContact O-C 3.57Å; I334-A343 WeakPolarHBondContact O-CA 3.26Å; I334-L344 HydrophobicContact CB-CB 4.06Å; I334-L344 HydrophobicContact CB-CD2 4.36Å; I334-L344 HydrophobicContact CD1-CD2 3.78Å; I334-L344 HydrophobicContact CG1-CD2 4.38Å; I334-L344 PolarHBondContact O-N 2.84Å; I334-A359 HydrophobicContact CD1-CB 3.8Å; I334-Y362 HydrophobicContact CD1-CD1 4.42Å; I334-Y362 HydrophobicContact CG2-CD1 4.03Å; I334-Y362 HydrophobicContact CG2-CE1 3.54Å |
| 335 | I | 97.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 111.3 | 175.5 | -56.5 | 178.4 | 0 | 0 | 0 | 107 | V298 F299 L300 I301 Q333 F341 A342 A343 A382 | V298-I335 HydrophobicContact CG1-CD1 3.78Å; V298-I335 HydrophobicContact CG1-CG1 4.15Å; F299-I335 PolarHBondContact O-N 3.06Å; L300-I335 CarbonylContact C-O 3.47Å; L300-I335 WeakPolarHBondContact CA-O 3.39Å; L300-I335 HydrophobicContact CD1-CB 3.68Å; L300-I335 HydrophobicContact CD1-CG2 3.57Å; I301-I335 PolarHBondContact N-O 2.91Å; Q333-I335 HydrophobicContact CG-CD1 4.37Å; Q333-I335 HydrophobicContact CG-CG1 3.89Å; I335-F341 HydrophobicContact CG2-CB 4.03Å; I335-F341 HydrophobicContact CG2-CD2 4.11Å; I335-F341 HydrophobicContact CG2-CG 4.48Å; I335-A342 WeakPolarHBondContact CA-O 3.45Å; I335-A343 HydrophobicContact CG1-CB 4.21Å; I335-A382 HydrophobicContact CD1-CB 4.09Å |
| 336 | G | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 139 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | I301 F341 A342 Y362 | I301-G336 CarbonylContact O-C 3.48Å; I301-G336 WeakPolarHBondContact O-CA 3.4Å; G336-F341 CarbonylContact O-C 3.57Å; G336-F341 VanDerWaalsContact O-CA 3.31Å; G336-F341 WeakPolarHBondContact O-CA 3.4Å; G336-A342 PolarHBondContact N-O 2.83Å; G336-A342 PolarHBondContact O-N 2.83Å; G336-Y362 WeakPolarHBondContact CA-OH 3.46Å |
| 337 | F | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 156.3 | 177.7 | 77.4 | -84.7 | 0 | 0 | 0 | 113.3 | L300 I301 D302 R303 D340 F341 T373 A375 A378 F398 | L300-F337 HydrophobicContact CD1-CD1 3.71Å; L300-F337 HydrophobicContact CD1-CE1 4.37Å; L300-F337 HydrophobicContact CD1-CG 4.46Å; L300-F337 HydrophobicContact CG-CD1 3.81Å; L300-F337 HydrophobicContact CG-CE1 3.96Å; I301-F337 VanDerWaalsContact C-CD1 3.47Å; I301-F337 VanDerWaalsContact C-CE1 3.4Å; I301-F337 VanDerWaalsContact O-CD1 3.25Å; I301-F337 WeakPolarHBondContact O-CD1 3.45Å; I301-F337 PolarHBondContact O-N 2.84Å; D302-F337 HydrophobicContact CB-CE1 3.71Å; D302-F337 HydrophobicContact CB-CE2 4.19Å; D302-F337 HydrophobicContact CB-CZ 3.43Å; D302-F337 VanDerWaalsContact CB-CZ 3.43Å; D302-F337 VanDerWaalsContact CG-CZ 3.5Å; R303-F337 WeakPolarHBondContact CA-O 3.27Å; R303-F337 PolarHBondContact N-O 2.92Å; F337-D340 CarbonylContact C-O 3.57Å; F337-D340 WeakPolarHBondContact CA-O 3.33Å; F337-F341 HydrophobicContact CB-CB 3.79Å; F337-T373 HydrophobicContact CE2-CG2 3.95Å; F337-A375 HydrophobicContact CE2-CB 4.02Å; F337-A375 HydrophobicContact CZ-CB 4.45Å; F337-A378 HydrophobicContact CB-CB 3.49Å; F337-A378 VanDerWaalsContact CB-CB 3.49Å; F337-A378 HydrophobicContact CD1-CB 4.25Å; F337-A378 HydrophobicContact CD2-CB 4.21Å; F337-A378 HydrophobicContact CG-CB 3.72Å; F337-F398 HydrophobicContact CE1-CD2 4.16Å; F337-F398 AromaticContact CE1-CE2 3.57Å; F337-F398 HydrophobicContact CE1-CE2 3.57Å; F337-F398 HydrophobicContact CZ-CD2 4.47Å; F337-F398 AromaticContact CZ-CE2 3.47Å; F337-F398 HydrophobicContact CZ-CE2 3.47Å; F337-F398 VanDerWaalsContact CZ-CE2 3.47Å; F337-F398 HydrophobicContact CZ-CZ 4.16Å |
| 338 | G | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -160 | -116.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | D340 G372 E374 | G338-D340 CarbonylContact C-O 3.26Å; G338-D340 PolarHBondContact N-O 3.28Å; G338-D340 PolarHBondContact O-N 3.27Å; G338-G372 CarbonylContact C-O 3.55Å; G338-G372 WeakPolarHBondContact CA-O 3.23Å; G338-E374 WeakPolarHBondContact O-CA 3.25Å; G338-E374 VanDerWaalsContact O-CB 3.25Å; G338-E374 WeakPolarHBondContact O-CB 3.48Å; G338-E374 PolarHBondContact O-N 3.15Å |
| 339 | S | 94 | Very high | 95 | Very high | 65 Ų | 65 | 43.1 Ų | 43.1 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -65.7 | -21 | 169.7 | -73.6 | 0 | 0 | 0 | 0 | 114.2 | M370 G372 | S339-M370 WeakPolarHBondContact CB-O 3.28Å; S339-M370 PolarHBondContact N-O 3.46Å; S339-G372 PolarHBondContact N-O 2.72Å; S339-G372 PolarHBondContact OG-N 2.93Å |
| 340 | D | 94.5 | Very high | 95.3 | Very high | 111 Ų | 111 | 42.6 Ų | 42.6 | 59% | 0.594 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -140.6 | 179.3 | 171.1 | -157.2 | -24.3 | 0 | 0 | 0 | 107.4 | F337 G338 M370 | F337-D340 CarbonylContact C-O 3.57Å; F337-D340 WeakPolarHBondContact CA-O 3.33Å; G338-D340 CarbonylContact C-O 3.26Å; G338-D340 PolarHBondContact N-O 3.28Å; G338-D340 PolarHBondContact O-N 3.27Å; D340-M370 WeakPolarHBondContact O-CE 3.5Å |
| 341 | F | 95.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 34% | 0.338 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 149.3 | 175.4 | 67.2 | -87.7 | 0 | 0 | 0 | 111.9 | I335 G336 F337 N377 A378 A381 | I335-F341 HydrophobicContact CG2-CB 4.03Å; I335-F341 HydrophobicContact CG2-CD2 4.11Å; I335-F341 HydrophobicContact CG2-CG 4.48Å; G336-F341 CarbonylContact O-C 3.57Å; G336-F341 VanDerWaalsContact O-CA 3.31Å; G336-F341 WeakPolarHBondContact O-CA 3.4Å; F337-F341 HydrophobicContact CB-CB 3.79Å; F341-N377 HydrophobicContact CD1-CB 4.48Å; F341-N377 HydrophobicContact CE1-CB 4.4Å; F341-A378 HydrophobicContact CB-CB 3.85Å; F341-A378 HydrophobicContact CD1-CB 4.4Å; F341-A378 HydrophobicContact CG-CB 4.23Å; F341-A381 HydrophobicContact CD2-CB 4.1Å; F341-A381 HydrophobicContact CE1-CB 4.16Å; F341-A381 HydrophobicContact CE2-CB 3.4Å; F341-A381 HydrophobicContact CZ-CB 3.44Å; F341-A381 VanDerWaalsContact CZ-CB 3.44Å |
| 342 | A | 97 | Very high | 95.5 | Very high | 51 Ų | 51 | 42.5 Ų | 42.5 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I335 G336 | I335-A342 WeakPolarHBondContact CA-O 3.45Å; G336-A342 PolarHBondContact N-O 2.83Å; G336-A342 PolarHBondContact O-N 2.83Å |
| 343 | A | 96.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 141.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I334 I335 F345 | I334-A343 CarbonylContact O-C 3.57Å; I334-A343 WeakPolarHBondContact O-CA 3.26Å; I335-A343 HydrophobicContact CG1-CB 4.21Å; A343-F345 WeakPolarHBondContact CB-O 3.14Å |
| 344 | L | 97.7 | Very high | 95.5 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -67.9 | -41.9 | 178 | 176.9 | 61.9 | 0 | 0 | 0 | 111.8 | I334 T358 A359 Y362 | I334-L344 HydrophobicContact CB-CB 4.06Å; I334-L344 HydrophobicContact CB-CD2 4.36Å; I334-L344 HydrophobicContact CD1-CD2 3.78Å; I334-L344 HydrophobicContact CG1-CD2 4.38Å; I334-L344 PolarHBondContact O-N 2.84Å; L344-T358 HydrophobicContact CD1-CG2 4.14Å; L344-T358 HydrophobicContact CD2-CG2 4.49Å; L344-T358 HydrophobicContact CG-CG2 4.48Å; L344-A359 HydrophobicContact CD2-CB 3.93Å; L344-Y362 HydrophobicContact CD1-CD2 3.77Å; L344-Y362 HydrophobicContact CD1-CG 4.03Å; L344-Y362 HydrophobicContact CD2-CG 4.48Å |
| 345 | F | 96.5 | Very high | 95.5 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 10% | 0.096 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -111.4 | 153.6 | 177.6 | -52.7 | -67.7 | 0 | 0 | 0 | 110.3 | F332 Q333 A343 E347 T358 | F332-F345 HydrophobicContact CD2-CE2 4.33Å; F332-F345 HydrophobicContact CE1-CE2 4.39Å; F332-F345 AromaticContact CE2-CE2 3.69Å; F332-F345 HydrophobicContact CE2-CE2 3.69Å; F332-F345 HydrophobicContact CE2-CZ 4.25Å; F332-F345 AromaticContact CZ-CE2 3.72Å; F332-F345 HydrophobicContact CZ-CE2 3.72Å; F332-F345 AromaticContact CZ-CZ 3.94Å; F332-F345 HydrophobicContact CZ-CZ 3.94Å; Q333-F345 PolarHBondContact NE2-O 2.84Å; A343-F345 WeakPolarHBondContact CB-O 3.14Å; F345-E347 WeakPolarHBondContact CB-O 3.27Å; F345-E347 PolarHBondContact O-N 2.91Å; F345-T358 HydrophobicContact CE1-CG2 4Å; F345-T358 HydrophobicContact CZ-CG2 4.49Å |
| 346 | P | 92.8 | Very high | 95.4 | Very high | 133 Ų | 133 | 50.5 Ų | 50.5 | 86% | 0.864 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -57.8 | -37.2 | 172.4 | -25.1 | 34.8 | 0 | 0 | 0 | 113.1 | ||
| 347 | E | 91.2 | Very high | 95.4 | Very high | 119 Ų | 119 | 54.6 Ų | 54.6 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -141.2 | 157.2 | 176.1 | -70.5 | -64.9 | 164.8 | 0 | 0 | 109.2 | F345 T349 | F345-E347 WeakPolarHBondContact CB-O 3.27Å; F345-E347 PolarHBondContact O-N 2.91Å; E347-T349 PolarHBondContact O-N 2.94Å; E347-T349 PolarHBondContact O-OG1 2.84Å |
| 348 | P | 92.7 | Very high | 95.4 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | trans | -50.2 | 126.7 | 173.3 | -25.7 | 34.7 | 0 | 0 | 0 | 111.9 | E296 Q333 | E296-P348 HydrophobicContact CG-CB 3.88Å; E296-P348 HydrophobicContact CG-CG 4.31Å; Q333-P348 HydrophobicContact CB-CB 4.31Å; Q333-P348 HydrophobicContact CB-CG 4.24Å | ||
| 349 | T | 94 | Very high | 95.6 | Very high | 48 Ų | 48 | 57.8 Ų | 57.8 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 148.1 | -169.3 | -64.4 | 0 | 0 | 0 | 0 | 111 | R331 F332 E347 | R331-T349 CarbonylContact C-O 3.37Å; R331-T349 VanDerWaalsContact CA-O 3.28Å; R331-T349 WeakPolarHBondContact CA-O 3.49Å; F332-T349 PolarHBondContact N-O 2.99Å; F332-T349 PolarHBondContact O-N 2.78Å; E347-T349 PolarHBondContact O-N 2.94Å; E347-T349 PolarHBondContact O-OG1 2.84Å |
| 350 | D | 94.4 | Very high | 95.8 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 138.7 | 175.8 | -68.6 | -24 | 0 | 0 | 0 | 110.8 | R331 S352 S355 | R331-D350 WeakPolarHBondContact CG-OD1 3.33Å; R331-D350 IonicContact CZ-OD1 3.75Å; R331-D350 IonicContact NE-OD1 2.93Å; R331-D350 PolarHBondContact NE-OD1 2.78Å; R331-D350 IonicContact NH2-OD1 3.96Å; D350-S352 PolarHBondContact O-N 2.94Å; D350-S352 VanDerWaalsContact O-N 3.15Å; D350-S355 PolarHBondContact O-OG 3.1Å |
| 351 | Y | 94.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | trans | -66.7 | 113.1 | 173.1 | -172.5 | -112.9 | 0 | 0 | 0 | 108.7 | L323 L326 P327 M328 C330 F332 L356 F719 K784 | L323-Y351 VanDerWaalsContact O-CE2 3.26Å; L323-Y351 WeakPolarHBondContact O-CE2 3.46Å; L323-Y351 VanDerWaalsContact O-CZ 3.31Å; L323-Y351 PolarHBondContact O-OH 2.67Å; L326-Y351 HydrophobicContact CB-CD1 4.45Å; L326-Y351 HydrophobicContact CB-CD2 4.13Å; L326-Y351 HydrophobicContact CB-CE1 4.34Å; L326-Y351 HydrophobicContact CB-CE2 3.94Å; L326-Y351 HydrophobicContact CB-CG 4.41Å; L326-Y351 HydrophobicContact CD1-CD2 3.83Å; L326-Y351 HydrophobicContact CD1-CE2 4Å; P327-Y351 WeakPolarHBondContact O-CD1 3.39Å; M328-Y351 HydrophobicContact SD-CE1 4.42Å; C330-Y351 WeakPolarHBondContact O-CB 3.17Å; C330-Y351 PolarHBondContact O-N 2.98Å; F332-Y351 AromaticContact CD1-CD2 3.98Å; F332-Y351 HydrophobicContact CD1-CD2 3.98Å; F332-Y351 AromaticContact CE1-CD2 3.86Å; F332-Y351 HydrophobicContact CE1-CD2 3.86Å; Y351-L356 HydrophobicContact CE2-CB 4.35Å; Y351-L356 HydrophobicContact CE2-CD1 4.06Å; Y351-F719 AromaticContact CD1-CD2 3.82Å; Y351-F719 HydrophobicContact CD1-CD2 3.82Å; Y351-F719 AromaticContact CD1-CE2 3.06Å; Y351-F719 HydrophobicContact CD1-CE2 3.06Å; Y351-F719 AromaticContact CD1-CZ 3.78Å; Y351-F719 HydrophobicContact CD1-CZ 3.78Å; Y351-F719 HydrophobicContact CD2-CE2 4.17Å; Y351-F719 AromaticContact CE1-CD2 3.33Å; Y351-F719 HydrophobicContact CE1-CD2 3.33Å; Y351-F719 AromaticContact CE1-CE2 3.08Å; Y351-F719 HydrophobicContact CE1-CE2 3.08Å; Y351-F719 HydrophobicContact CE1-CG 4.42Å; Y351-F719 AromaticContact CE1-CZ 4Å; Y351-F719 HydrophobicContact CE1-CZ 4Å; Y351-F719 HydrophobicContact CE2-CD2 4.22Å; Y351-F719 HydrophobicContact CE2-CE2 4.24Å; Y351-F719 HydrophobicContact CG-CD2 4.38Å; Y351-F719 AromaticContact CG-CE2 3.61Å; Y351-F719 HydrophobicContact CG-CE2 3.61Å; Y351-F719 HydrophobicContact CG-CZ 4.48Å; Y351-F719 AromaticContact CZ-CD2 3.57Å; Y351-F719 AromaticContact CZ-CE2 3.72Å; Y351-F719 WeakPolarHBondContact O-CE2 3.47Å; Y351-F719 WeakPolarHBondContact O-CZ 3.47Å; Y351-K784 PolarHBondContact OH-NZ 2.92Å | ||
| 352 | S | 95.1 | Very high | 96 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | trans | -143.5 | 167.7 | -178 | 71.1 | 0 | 0 | 0 | 0 | 110.1 | D350 G354 S355 L356 F719 | D350-S352 PolarHBondContact O-N 2.94Å; D350-S352 VanDerWaalsContact O-N 3.15Å; S352-G354 VanDerWaalsContact C-N 3.28Å; S352-G354 PolarHBondContact O-N 2.79Å; S352-S355 PolarHBondContact N-OG 2.86Å; S352-S355 PolarHBondContact O-N 2.79Å; S352-S355 PolarHBondContact O-OG 3.19Å; S352-S355 PolarHBondContact OG-N 3.1Å; S352-S355 VanDerWaalsContact OG-N 3.09Å; S352-S355 PolarHBondContact OG-OG 3.21Å; S352-L356 WeakPolarHBondContact O-CB 3.23Å; S352-L356 PolarHBondContact O-N 2.85Å; S352-F719 VanDerWaalsContact C-CD2 3.43Å; S352-F719 VanDerWaalsContact CA-CZ 3.43Å; S352-F719 VanDerWaalsContact N-CE2 3.26Å | ||
| 353 | E | 94.6 | Very high | 96.1 | Very high | 131 Ų | 131 | 51.2 Ų | 51.2 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.9 | -40.9 | 174.4 | -176 | 171.3 | -153.1 | 0 | 0 | 112 | N357 F719 | E353-N357 WeakPolarHBondContact O-CB 3.44Å; E353-N357 PolarHBondContact O-N 2.95Å; E353-N357 PolarHBondContact O-ND2 3.02Å; E353-F719 HydrophobicContact CB-CB 4.32Å; E353-F719 HydrophobicContact CB-CD1 4.45Å; E353-F719 HydrophobicContact CB-CG 4.36Å |
| 354 | G | 97.3 | Very high | 96 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 46% | 0.464 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.1 | -49.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S352 N357 T358 | S352-G354 VanDerWaalsContact C-N 3.28Å; S352-G354 PolarHBondContact O-N 2.79Å; G354-N357 PolarHBondContact O-N 3.27Å; G354-T358 PolarHBondContact O-N 2.99Å; G354-T358 VanDerWaalsContact O-N 3.11Å; G354-T358 PolarHBondContact O-OG1 3.23Å |
| 355 | S | 97.6 | Very high | 96 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 178.8 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | D350 S352 T358 A359 | D350-S355 PolarHBondContact O-OG 3.1Å; S352-S355 PolarHBondContact N-OG 2.86Å; S352-S355 PolarHBondContact O-N 2.79Å; S352-S355 PolarHBondContact O-OG 3.19Å; S352-S355 PolarHBondContact OG-N 3.1Å; S352-S355 VanDerWaalsContact OG-N 3.09Å; S352-S355 PolarHBondContact OG-OG 3.21Å; S355-T358 PolarHBondContact O-N 3.01Å; S355-A359 WeakPolarHBondContact O-CB 3.42Å; S355-A359 PolarHBondContact O-N 3Å |
| 356 | L | 97.3 | Very high | 96 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 172.3 | 176.9 | 63.2 | 0 | 0 | 0 | 111.1 | L323 Y351 S352 T358 A359 M360 F719 | L323-L356 HydrophobicContact CB-CD1 3.88Å; Y351-L356 HydrophobicContact CE2-CB 4.35Å; Y351-L356 HydrophobicContact CE2-CD1 4.06Å; S352-L356 WeakPolarHBondContact O-CB 3.23Å; S352-L356 PolarHBondContact O-N 2.85Å; L356-T358 VanDerWaalsContact C-N 3.34Å; L356-T358 PolarHBondContact O-N 3.27Å; L356-A359 PolarHBondContact O-N 3.27Å; L356-M360 HydrophobicContact CD1-CG 3.84Å; L356-M360 HydrophobicContact CD1-SD 4.24Å; L356-M360 HydrophobicContact CG-CG 4.08Å; L356-M360 WeakPolarHBondContact O-CB 3.39Å; L356-M360 WeakPolarHBondContact O-CG 3.33Å; L356-M360 PolarHBondContact O-N 3.01Å; L356-F719 HydrophobicContact CB-CD2 4.31Å; L356-F719 HydrophobicContact CD2-CB 3.75Å; L356-F719 HydrophobicContact CD2-CD2 4.12Å; L356-F719 HydrophobicContact CD2-CG 4.46Å |
| 357 | N | 97.4 | Very high | 96.2 | Very high | 85 Ų | 85 | 53.8 Ų | 53.8 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 180 | -74.6 | -25.9 | 0 | 0 | 0 | 112.2 | E353 G354 M360 N361 | E353-N357 WeakPolarHBondContact O-CB 3.44Å; E353-N357 PolarHBondContact O-N 2.95Å; E353-N357 PolarHBondContact O-ND2 3.02Å; G354-N357 PolarHBondContact O-N 3.27Å; N357-M360 PolarHBondContact O-N 3.24Å; N357-N361 PolarHBondContact O-N 2.53Å; N357-N361 PolarHBondContact O-ND2 3.28Å |
| 358 | T | 98.4 | Very high | 96.5 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 42% | 0.417 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 173.3 | -60 | 0 | 0 | 0 | 0 | 111.5 | L344 F345 G354 S355 L356 N361 Y362 | L344-T358 HydrophobicContact CD1-CG2 4.14Å; L344-T358 HydrophobicContact CD2-CG2 4.49Å; L344-T358 HydrophobicContact CG-CG2 4.48Å; F345-T358 HydrophobicContact CE1-CG2 4Å; F345-T358 HydrophobicContact CZ-CG2 4.49Å; G354-T358 PolarHBondContact O-N 2.99Å; G354-T358 VanDerWaalsContact O-N 3.11Å; G354-T358 PolarHBondContact O-OG1 3.23Å; S355-T358 PolarHBondContact O-N 3.01Å; L356-T358 VanDerWaalsContact C-N 3.34Å; L356-T358 PolarHBondContact O-N 3.27Å; T358-N361 PolarHBondContact O-N 3.37Å; T358-Y362 PolarHBondContact O-N 3.04Å; T358-Y362 VanDerWaalsContact O-N 3.08Å |
| 359 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L323 F332 I334 L344 S355 L356 Y362 Q363 | L323-A359 HydrophobicContact CD1-CB 3.74Å; L323-A359 HydrophobicContact CD2-CB 3.9Å; L323-A359 HydrophobicContact CG-CB 4.49Å; F332-A359 HydrophobicContact CE2-CB 3.68Å; F332-A359 HydrophobicContact CZ-CB 3.85Å; I334-A359 HydrophobicContact CD1-CB 3.8Å; L344-A359 HydrophobicContact CD2-CB 3.93Å; S355-A359 WeakPolarHBondContact O-CB 3.42Å; S355-A359 PolarHBondContact O-N 3Å; L356-A359 PolarHBondContact O-N 3.27Å; A359-Y362 WeakPolarHBondContact O-CB 3.38Å; A359-Y362 PolarHBondContact O-N 2.94Å; A359-Q363 WeakPolarHBondContact O-CB 3.35Å; A359-Q363 PolarHBondContact O-N 3.46Å |
| 360 | M | 97.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.069 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.8 | -35.1 | 175.6 | -71.1 | -67.2 | -55.8 | 0 | 0 | 112.1 | L320 L323 L356 N357 Q363 K364 | L320-M360 HydrophobicContact CD1-CE 3.35Å; L320-M360 HydrophobicContact CD1-SD 3.8Å; L323-M360 HydrophobicContact CD1-SD 4.28Å; L356-M360 HydrophobicContact CD1-CG 3.84Å; L356-M360 HydrophobicContact CD1-SD 4.24Å; L356-M360 HydrophobicContact CG-CG 4.08Å; L356-M360 WeakPolarHBondContact O-CB 3.39Å; L356-M360 WeakPolarHBondContact O-CG 3.33Å; L356-M360 PolarHBondContact O-N 3.01Å; N357-M360 PolarHBondContact O-N 3.24Å; M360-Q363 PolarHBondContact O-N 2.83Å; M360-K364 WeakPolarHBondContact O-CG 3.33Å; M360-K364 PolarHBondContact O-N 3.32Å; M360-K364 VanDerWaalsContact O-N 3.15Å |
| 361 | N | 98 | Very high | 96.6 | Very high | 95 Ų | 95 | 51.2 Ų | 51.2 | 51% | 0.508 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 172.3 | -69.2 | -22.9 | 0 | 0 | 0 | 110.8 | N357 T358 Q363 K364 D365 | N357-N361 PolarHBondContact O-N 2.53Å; N357-N361 PolarHBondContact O-ND2 3.28Å; T358-N361 PolarHBondContact O-N 3.37Å; N361-Q363 VanDerWaalsContact C-N 3.28Å; N361-Q363 PolarHBondContact O-N 3.33Å; N361-K364 PolarHBondContact O-N 3.36Å; N361-D365 PolarHBondContact O-N 2.9Å; N361-D365 VanDerWaalsContact O-N 3.13Å |
| 362 | Y | 98.3 | Very high | 96.3 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.9 | -43.4 | 173.2 | -179.2 | -87.5 | 0 | 0 | 0 | 112.2 | R303 L319 I334 G336 L344 T358 A359 K364 D365 L366 | R303-Y362 PolarHBondContact NH1-OH 3.09Å; L319-Y362 HydrophobicContact CD2-CD1 4.2Å; I334-Y362 HydrophobicContact CD1-CD1 4.42Å; I334-Y362 HydrophobicContact CG2-CD1 4.03Å; I334-Y362 HydrophobicContact CG2-CE1 3.54Å; G336-Y362 WeakPolarHBondContact CA-OH 3.46Å; L344-Y362 HydrophobicContact CD1-CD2 3.77Å; L344-Y362 HydrophobicContact CD1-CG 4.03Å; L344-Y362 HydrophobicContact CD2-CG 4.48Å; T358-Y362 PolarHBondContact O-N 3.04Å; T358-Y362 VanDerWaalsContact O-N 3.08Å; A359-Y362 WeakPolarHBondContact O-CB 3.38Å; A359-Y362 PolarHBondContact O-N 2.94Å; Y362-K364 VanDerWaalsContact C-N 3.35Å; Y362-K364 PolarHBondContact O-N 2.9Å; Y362-D365 CarbonylContact O-C 3.56Å; Y362-D365 PolarHBondContact O-N 3.31Å; Y362-L366 HydrophobicContact CE1-CD1 3.72Å; Y362-L366 PolarHBondContact O-N 3.36Å |
| 363 | Q | 97.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 178.4 | 179 | -82.3 | -29.8 | 0 | 0 | 112.5 | K316 L319 L320 A359 M360 N361 L366 | K316-Q363 WeakPolarHBondContact O-CG 3.26Å; K316-Q363 PolarHBondContact O-NE2 2.96Å; L319-Q363 HydrophobicContact CB-CG 4.11Å; L319-Q363 HydrophobicContact CD2-CB 3.71Å; L319-Q363 HydrophobicContact CD2-CG 3.95Å; L319-Q363 HydrophobicContact CG-CB 4.14Å; L319-Q363 HydrophobicContact CG-CG 4.01Å; L320-Q363 HydrophobicContact CB-CG 4.32Å; A359-Q363 WeakPolarHBondContact O-CB 3.35Å; A359-Q363 PolarHBondContact O-N 3.46Å; M360-Q363 PolarHBondContact O-N 2.83Å; N361-Q363 VanDerWaalsContact C-N 3.28Å; N361-Q363 PolarHBondContact O-N 3.33Å; Q363-L366 WeakPolarHBondContact O-CB 3.22Å; Q363-L366 PolarHBondContact O-N 2.84Å |
| 364 | K | 95.8 | Very high | 96.1 | Very high | 113 Ų | 113 | 44 Ų | 44 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 177 | -71.1 | 170.8 | -177.4 | 179.2 | 0 | 111.7 | K316 M360 N361 Y362 L366 | K316-K364 PolarHBondContact NZ-O 2.71Å; M360-K364 WeakPolarHBondContact O-CG 3.33Å; M360-K364 PolarHBondContact O-N 3.32Å; M360-K364 VanDerWaalsContact O-N 3.15Å; N361-K364 PolarHBondContact O-N 3.36Å; Y362-K364 VanDerWaalsContact C-N 3.35Å; Y362-K364 PolarHBondContact O-N 2.9Å; K364-L366 VanDerWaalsContact C-N 3.34Å |
| 365 | D | 96.7 | Very high | 95.9 | Very high | 113 Ų | 113 | 41.9 Ų | 41.9 | 60% | 0.604 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -85.3 | -2.7 | -176.8 | -64.2 | -21.5 | 0 | 0 | 0 | 113.9 | N361 Y362 N367 | N361-D365 PolarHBondContact O-N 2.9Å; N361-D365 VanDerWaalsContact O-N 3.13Å; Y362-D365 CarbonylContact O-C 3.56Å; Y362-D365 PolarHBondContact O-N 3.31Å; D365-N367 PolarHBondContact O-N 3.13Å; D365-N367 PolarHBondContact O-ND2 3.42Å |
| 366 | L | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -56.5 | 129.4 | 179.4 | -174.9 | 72 | 0 | 0 | 0 | 110.2 | I301 R303 I312 A315 K316 Y362 Q363 K364 | I301-L366 HydrophobicContact CG2-CD1 4.34Å; I301-L366 HydrophobicContact CG2-CD2 4.13Å; R303-L366 VanDerWaalsContact CD-CD1 3.48Å; R303-L366 HydrophobicContact CG-CD1 3.8Å; I312-L366 HydrophobicContact CD1-CD2 4.2Å; I312-L366 HydrophobicContact CD1-CG 4.01Å; A315-L366 HydrophobicContact CB-CD2 4.25Å; K316-L366 WeakPolarHBondContact CE-O 3.36Å; K316-L366 HydrophobicContact CG-CB 3.94Å; K316-L366 HydrophobicContact CG-CD2 3.84Å; K316-L366 HydrophobicContact CG-CG 4.33Å; K316-L366 PolarHBondContact NZ-O 2.99Å; Y362-L366 HydrophobicContact CE1-CD1 3.72Å; Y362-L366 PolarHBondContact O-N 3.36Å; Q363-L366 WeakPolarHBondContact O-CB 3.22Å; Q363-L366 PolarHBondContact O-N 2.84Å; K364-L366 VanDerWaalsContact C-N 3.34Å | ||
| 367 | N | 97.4 | Very high | 95.7 | Very high | 75 Ų | 75 | 45.2 Ų | 45.2 | 40% | 0.401 | 25% | 0.251 | S | S | . | . | trans | -145.7 | 162.4 | 177.9 | -71.9 | -60.6 | 0 | 0 | 0 | 110.6 | R303 D365 D369 | R303-N367 WeakPolarHBondContact CB-O 3.46Å; R303-N367 PolarHBondContact NE-O 2.94Å; D365-N367 PolarHBondContact O-N 3.13Å; D365-N367 PolarHBondContact O-ND2 3.42Å; N367-D369 HydrophobicContact CB-CB 4.37Å; N367-D369 PolarHBondContact O-N 3.38Å; N367-D369 VanDerWaalsContact O-N 3.08Å | ||
| 368 | A | 96.2 | Very high | 95.6 | Very high | 28 Ų | 28 | 41.2 Ų | 41.2 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -81.4 | 63.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R303 S304 M307 E308 I312 | R303-A368 CarbonylContact O-C 3.56Å; R303-A368 VanDerWaalsContact O-C 3.26Å; R303-A368 WeakPolarHBondContact O-CA 3.42Å; S304-A368 WeakPolarHBondContact O-CB 3.01Å; M307-A368 HydrophobicContact CB-CB 4Å; E308-A368 HydrophobicContact CB-CB 4.2Å; I312-A368 HydrophobicContact CB-CB 4.32Å; I312-A368 HydrophobicContact CG1-CB 4.4Å |
| 369 | D | 96.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 38 Ų | 38 | 54% | 0.54 | 21% | 0.209 | S | C | . | . | trans | -122.1 | 11.5 | -167.6 | 63.1 | -10 | 0 | 0 | 0 | 113.8 | R303 N367 | R303-D369 IonicContact CZ-OD1 2.98Å; R303-D369 VanDerWaalsContact CZ-OD1 3.24Å; R303-D369 IonicContact NE-OD1 2.64Å; R303-D369 PolarHBondContact NE-OD1 3.37Å; R303-D369 IonicContact NH2-OD1 3.22Å; R303-D369 PolarHBondContact NH2-OD1 2.88Å; R303-D369 IonicContact NH2-OD2 2.77Å; R303-D369 PolarHBondContact NH2-OD2 3.19Å; R303-D369 PolarHBondContact O-N 2.94Å; R303-D369 VanDerWaalsContact O-N 3.1Å; N367-D369 HydrophobicContact CB-CB 4.37Å; N367-D369 PolarHBondContact O-N 3.38Å; N367-D369 VanDerWaalsContact O-N 3.08Å | ||
| 370 | M | 96.1 | Very high | 95.3 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -100.9 | 7 | -176.4 | -63.6 | -169.2 | 71.8 | 0 | 0 | 114.5 | R303 S339 D340 | R303-M370 HydrophobicContact CB-CB 3.98Å; R303-M370 HydrophobicContact CB-CG 3.69Å; R303-M370 HydrophobicContact CB-SD 3.75Å; R303-M370 HydrophobicContact CG-SD 4.24Å; R303-M370 WeakPolarHBondContact O-CB 3.46Å; R303-M370 PolarHBondContact O-N 3.29Å; S339-M370 WeakPolarHBondContact CB-O 3.28Å; S339-M370 PolarHBondContact N-O 3.46Å; D340-M370 WeakPolarHBondContact O-CE 3.5Å |
| 371 | G | 91.1 | Very high | 95.2 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | trans | 84.5 | -118.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S304 G305 | S304-G371 CarbonylContact C-O 3.56Å; S304-G371 WeakPolarHBondContact CA-O 3.48Å; S304-G371 WeakPolarHBondContact CB-O 3.1Å; G305-G371 PolarHBondContact N-O 2.81Å | ||
| 372 | G | 89.2 | Confident | 95 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -75 | -164.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S304 G338 S339 | S304-G372 WeakPolarHBondContact CB-O 2.78Å; G338-G372 CarbonylContact C-O 3.55Å; G338-G372 WeakPolarHBondContact CA-O 3.23Å; S339-G372 PolarHBondContact N-O 2.72Å; S339-G372 PolarHBondContact OG-N 2.93Å |
| 373 | T | 90.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | trans | -132 | 71 | -171.3 | -44.2 | 0 | 0 | 0 | 0 | 112 | Y170 D302 S304 F337 A375 V404 | Y170-T373 WeakPolarHBondContact CD1-O 3.28Å; Y170-T373 VanDerWaalsContact CE1-N 3.34Å; D302-T373 WeakPolarHBondContact OD2-CG2 3.47Å; S304-T373 WeakPolarHBondContact CB-OG1 3.31Å; S304-T373 PolarHBondContact OG-OG1 3.48Å; F337-T373 HydrophobicContact CE2-CG2 3.95Å; T373-A375 VanDerWaalsContact C-N 3.28Å; T373-A375 PolarHBondContact O-N 3.25Å; T373-V404 HydrophobicContact CG2-CG1 3.46Å; T373-V404 VanDerWaalsContact CG2-CG1 3.46Å | ||
| 374 | E | 93.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | trans | -84 | 59.7 | -178.1 | -60.9 | -69 | 156.7 | 0 | 0 | 112.2 | Y170 P172 G338 Y376 N377 | Y170-E374 HydrophobicContact CE1-CG 4.46Å; Y170-E374 WeakPolarHBondContact CE1-OE1 3.13Å; Y170-E374 PolarHBondContact OH-OE1 2.91Å; P172-E374 WeakPolarHBondContact CB-OE2 3.36Å; G338-E374 WeakPolarHBondContact O-CA 3.25Å; G338-E374 VanDerWaalsContact O-CB 3.25Å; G338-E374 WeakPolarHBondContact O-CB 3.48Å; G338-E374 PolarHBondContact O-N 3.15Å; E374-Y376 VanDerWaalsContact C-N 3.3Å; E374-Y376 PolarHBondContact O-N 3.39Å; E374-N377 PolarHBondContact O-N 3.42Å | ||
| 375 | A | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -35.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F337 T373 N377 A378 L379 F398 V404 V410 | F337-A375 HydrophobicContact CE2-CB 4.02Å; F337-A375 HydrophobicContact CZ-CB 4.45Å; T373-A375 VanDerWaalsContact C-N 3.28Å; T373-A375 PolarHBondContact O-N 3.25Å; A375-N377 PolarHBondContact O-N 3.37Å; A375-A378 PolarHBondContact O-N 2.64Å; A375-L379 WeakPolarHBondContact O-CB 3.4Å; A375-L379 PolarHBondContact O-N 2.91Å; A375-F398 HydrophobicContact CB-CZ 4.09Å; A375-V404 HydrophobicContact CB-CG1 4.05Å; A375-V410 HydrophobicContact CB-CG2 4.49Å |
| 376 | Y | 95.1 | Very high | 91.7 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58 | -50.4 | -178.9 | -179.5 | -86.1 | 0 | 0 | 0 | 112.2 | E374 A378 L379 K380 E409 L413 L586 | E374-Y376 VanDerWaalsContact C-N 3.3Å; E374-Y376 PolarHBondContact O-N 3.39Å; Y376-A378 PolarHBondContact O-N 2.95Å; Y376-L379 PolarHBondContact O-N 2.85Å; Y376-K380 HydrophobicContact CE1-CD 4.04Å; Y376-K380 VanDerWaalsContact O-CB 3.27Å; Y376-K380 WeakPolarHBondContact O-CB 3.41Å; Y376-K380 PolarHBondContact O-N 3.36Å; Y376-E409 HydrophobicContact CD2-CB 3.85Å; Y376-E409 HydrophobicContact CE2-CB 4.02Å; Y376-E409 WeakPolarHBondContact CE2-O 3.43Å; Y376-L413 HydrophobicContact CD2-CB 4.27Å; Y376-L413 HydrophobicContact CD2-CD2 3.93Å; Y376-L413 HydrophobicContact CE2-CB 3.81Å; Y376-L413 HydrophobicContact CE2-CD2 3.89Å; Y376-L413 HydrophobicContact CE2-CG 4.28Å; Y376-L413 HydrophobicContact CG-CD2 4.27Å; Y376-L413 WeakPolarHBondContact O-CD2 3.27Å; Y376-L586 HydrophobicContact CE2-CD1 4.33Å; Y376-L586 HydrophobicContact CE2-CD2 4.29Å |
| 377 | N | 94.7 | Very high | 90.1 | Very high | 63 Ų | 63 | 40.7 Ų | 40.7 | 34% | 0.337 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.8 | -38.7 | -177 | -73.4 | -38 | 0 | 0 | 0 | 111.6 | F341 E374 A375 K380 A381 | F341-N377 HydrophobicContact CD1-CB 4.48Å; F341-N377 HydrophobicContact CE1-CB 4.4Å; E374-N377 PolarHBondContact O-N 3.42Å; A375-N377 PolarHBondContact O-N 3.37Å; N377-K380 PolarHBondContact O-N 2.64Å; N377-A381 PolarHBondContact O-N 3.39Å |
| 378 | A | 95.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.4 | -43.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L300 F337 F341 A375 Y376 A381 A382 | L300-A378 HydrophobicContact CD1-CB 3.84Å; L300-A378 HydrophobicContact CD2-CB 4.44Å; F337-A378 HydrophobicContact CB-CB 3.49Å; F337-A378 VanDerWaalsContact CB-CB 3.49Å; F337-A378 HydrophobicContact CD1-CB 4.25Å; F337-A378 HydrophobicContact CD2-CB 4.21Å; F337-A378 HydrophobicContact CG-CB 3.72Å; F341-A378 HydrophobicContact CB-CB 3.85Å; F341-A378 HydrophobicContact CD1-CB 4.4Å; F341-A378 HydrophobicContact CG-CB 4.23Å; A375-A378 PolarHBondContact O-N 2.64Å; Y376-A378 PolarHBondContact O-N 2.95Å; A378-A381 PolarHBondContact O-N 2.84Å; A378-A382 WeakPolarHBondContact O-CB 3.33Å; A378-A382 PolarHBondContact O-N 2.75Å |
| 379 | L | 96 | Very high | 87.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 172.3 | -84.9 | 166.4 | 0 | 0 | 0 | 111.9 | L300 A375 Y376 A381 A382 L383 I396 F398 V410 L413 V414 | L300-L379 HydrophobicContact CD2-CB 4.29Å; L300-L379 HydrophobicContact CD2-CD2 3.44Å; L300-L379 VanDerWaalsContact CD2-CD2 3.44Å; L300-L379 HydrophobicContact CD2-CG 3.44Å; L300-L379 VanDerWaalsContact CD2-CG 3.44Å; A375-L379 WeakPolarHBondContact O-CB 3.4Å; A375-L379 PolarHBondContact O-N 2.91Å; Y376-L379 PolarHBondContact O-N 2.85Å; L379-A381 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 2.83Å; L379-A382 CarbonylContact O-C 3.59Å; L379-A382 PolarHBondContact O-N 3.02Å; L379-L383 WeakPolarHBondContact O-CB 3.49Å; L379-L383 WeakPolarHBondContact O-CD1 3.45Å; L379-L383 VanDerWaalsContact O-CG 3.26Å; L379-L383 WeakPolarHBondContact O-CG 3.47Å; L379-L383 PolarHBondContact O-N 2.81Å; L379-I396 HydrophobicContact CD2-CG2 4.43Å; L379-F398 HydrophobicContact CD1-CE1 4.36Å; L379-F398 HydrophobicContact CD1-CZ 4.4Å; L379-V410 HydrophobicContact CD1-CG1 3.25Å; L379-L413 HydrophobicContact CB-CD2 4.14Å; L379-V414 HydrophobicContact CD1-CG2 4.36Å |
| 380 | K | 95.1 | Very high | 85.9 | Confident | 99 Ų | 99 | 43.6 Ų | 43.6 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 176.5 | -173.7 | 175.8 | 180 | 177.8 | 0 | 110.9 | Y376 N377 L383 H384 L413 | Y376-K380 HydrophobicContact CE1-CD 4.04Å; Y376-K380 VanDerWaalsContact O-CB 3.27Å; Y376-K380 WeakPolarHBondContact O-CB 3.41Å; Y376-K380 PolarHBondContact O-N 3.36Å; N377-K380 PolarHBondContact O-N 2.64Å; K380-L383 PolarHBondContact O-N 2.85Å; K380-H384 VanDerWaalsContact O-CB 3.23Å; K380-H384 WeakPolarHBondContact O-CB 3.31Å; K380-H384 PolarHBondContact O-N 2.86Å; K380-L413 HydrophobicContact CB-CD1 4.38Å; K380-L413 HydrophobicContact CB-CD2 3.78Å; K380-L413 HydrophobicContact CG-CD1 4.31Å |
| 381 | A | 93.7 | Very high | 85.1 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F341 N377 A378 L379 L383 H384 | F341-A381 HydrophobicContact CD2-CB 4.1Å; F341-A381 HydrophobicContact CE1-CB 4.16Å; F341-A381 HydrophobicContact CE2-CB 3.4Å; F341-A381 HydrophobicContact CZ-CB 3.44Å; F341-A381 VanDerWaalsContact CZ-CB 3.44Å; N377-A381 PolarHBondContact O-N 3.39Å; A378-A381 PolarHBondContact O-N 2.84Å; L379-A381 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 2.83Å; A381-L383 VanDerWaalsContact C-N 3.3Å; A381-L383 PolarHBondContact O-N 2.99Å; A381-H384 PolarHBondContact O-N 2.85Å |
| 382 | A | 94.7 | Very high | 84.9 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -33.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V298 I335 A378 L379 K394 I396 | V298-A382 HydrophobicContact CG1-CB 4.13Å; I335-A382 HydrophobicContact CD1-CB 4.09Å; A378-A382 WeakPolarHBondContact O-CB 3.33Å; A378-A382 PolarHBondContact O-N 2.75Å; L379-A382 CarbonylContact O-C 3.59Å; L379-A382 PolarHBondContact O-N 3.02Å; A382-K394 WeakPolarHBondContact O-CE 3.29Å; A382-K394 PolarHBondContact O-NZ 2.97Å; A382-I396 HydrophobicContact CB-CD1 4.04Å |
| 383 | L | 93.7 | Very high | 84.8 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -87.2 | -20.9 | 179.5 | -70.8 | 164.2 | 0 | 0 | 0 | 113.6 | L379 K380 A381 I396 L413 V414 N417 A421 V423 | L379-L383 WeakPolarHBondContact O-CB 3.49Å; L379-L383 WeakPolarHBondContact O-CD1 3.45Å; L379-L383 VanDerWaalsContact O-CG 3.26Å; L379-L383 WeakPolarHBondContact O-CG 3.47Å; L379-L383 PolarHBondContact O-N 2.81Å; K380-L383 PolarHBondContact O-N 2.85Å; A381-L383 VanDerWaalsContact C-N 3.3Å; A381-L383 PolarHBondContact O-N 2.99Å; L383-I396 HydrophobicContact CD2-CD1 3.53Å; L383-I396 HydrophobicContact CG-CD1 3.9Å; L383-L413 HydrophobicContact CD1-CD2 4.42Å; L383-L413 HydrophobicContact CD1-CG 4.04Å; L383-V414 HydrophobicContact CD1-CG2 4.2Å; L383-N417 HydrophobicContact CB-CB 4.23Å; L383-N417 HydrophobicContact CD1-CB 4.15Å; L383-N417 HydrophobicContact CD2-CB 3.94Å; L383-N417 HydrophobicContact CG-CB 4.34Å; L383-A421 HydrophobicContact CD2-CB 4.13Å; L383-V423 HydrophobicContact CD2-CG2 4.35Å |
| 384 | H | 84.6 | Confident | 85 | Confident | 148 Ų | 148 | 45.5 Ų | 45.5 | 69% | 0.685 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.8 | -43.3 | -174.1 | 179.1 | -96.3 | 0 | 0 | 0 | 112.8 | K380 A381 T386 | K380-H384 VanDerWaalsContact O-CB 3.23Å; K380-H384 WeakPolarHBondContact O-CB 3.31Å; K380-H384 PolarHBondContact O-N 2.86Å; A381-H384 PolarHBondContact O-N 2.85Å; H384-T386 PolarHBondContact O-N 3.32Å |
| 385 | S | 72 | Confident | 85 | Confident | 33 Ų | 33 | 44.6 Ų | 44.6 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -67.9 | 123.7 | 178.4 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | K394 | S385-K394 PolarHBondContact O-NZ 2.7Å; S385-K394 PolarHBondContact OG-NZ 3.39Å |
| 386 | T | 67.9 | Low | 85.1 | Confident | 103 Ų | 103 | 44.6 Ų | 44.6 | 63% | 0.632 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 147.1 | 161.6 | 39.6 | 0 | 0 | 0 | 0 | 108.9 | H384 S388 | H384-T386 PolarHBondContact O-N 3.32Å; T386-S388 PolarHBondContact O-N 3.01Å |
| 387 | P | 65.2 | Low | 85.3 | Confident | 30 Ų | 30 | 43.7 Ų | 43.7 | 20% | 0.195 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -48.9 | 140.6 | 173.3 | -18.6 | 27 | 0 | 0 | 0 | 109.5 | G389 W392 K394 | P387-G389 PolarHBondContact O-N 2.66Å; P387-W392 HydrophobicContact CB-CB 3.71Å; P387-K394 HydrophobicContact CG-CB 4.07Å |
| 388 | S | 64.4 | Low | 85.5 | Confident | 39 Ų | 39 | 40.7 Ų | 40.7 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -70.9 | 68.8 | -172.9 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | E296 R331 T386 | E296-S388 WeakPolarHBondContact OE2-CB 3.37Å; E296-S388 PolarHBondContact OE2-N 2.85Å; E296-S388 PolarHBondContact OE2-OG 2.66Å; R331-S388 PolarHBondContact NH1-O 3.18Å; T386-S388 PolarHBondContact O-N 3.01Å |
| 389 | G | 65 | Low | 85.6 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 47% | 0.474 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 116.4 | 163.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P387 | P387-G389 PolarHBondContact O-N 2.66Š|
| 390 | E | 71.4 | Confident | 85.7 | Confident | 179 Ų | 179 | 40.7 Ų | 40.7 | 84% | 0.836 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 142.9 | 178.8 | -70.4 | -174.9 | 166.8 | 0 | 0 | 112.6 | R294 W392 | R294-E390 PolarHBondContact NH2-O 3.23Å; E390-W392 PolarHBondContact O-N 2.79Å |
| 391 | G | 79.3 | Confident | 85.4 | Confident | 51 Ų | 51 | 36 Ų | 36 | 53% | 0.526 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 17.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 392 | W | 86.5 | Confident | 84.7 | Confident | 29 Ų | 29 | 34.5 Ų | 34.5 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.4 | 171.2 | -71.8 | 82.3 | 0 | 0 | 0 | 111.3 | R294 Y295 E296 R331 P387 E390 | R294-W392 HydrophobicContact CB-CD2 3.63Å; R294-W392 HydrophobicContact CB-CE3 3.62Å; R294-W392 HydrophobicContact CB-CG 4.2Å; R294-W392 HydrophobicContact CB-CH2 4.13Å; R294-W392 HydrophobicContact CB-CZ2 4.16Å; R294-W392 HydrophobicContact CB-CZ3 3.87Å; R294-W392 HydrophobicContact CG-CZ2 4.48Å; R294-W392 CarbonylContact O-C 3.58Å; R294-W392 WeakPolarHBondContact O-CA 3.45Å; Y295-W392 VanDerWaalsContact O-CZ3 3.26Å; Y295-W392 WeakPolarHBondContact O-CZ3 3.38Å; E296-W392 HydrophobicContact CB-CE3 4.33Å; R331-W392 HydrophobicContact CB-CH2 4.43Å; R331-W392 HydrophobicContact CB-CZ3 3.94Å; R331-W392 HydrophobicContact CG-CH2 3.7Å; R331-W392 HydrophobicContact CG-CZ3 3.71Å; P387-W392 HydrophobicContact CB-CB 3.71Å; E390-W392 PolarHBondContact O-N 2.79Å |
| 393 | F | 88.2 | Confident | 83.9 | Confident | 58 Ų | 58 | 35 Ų | 35 | 25% | 0.254 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 115.5 | 176.6 | -61.6 | -79.1 | 0 | 0 | 0 | 110.6 | M293 R294 Y295 E296 | M293-F393 HydrophobicContact CG-CE2 4.31Å; R294-F393 PolarHBondContact O-N 3.03Å; Y295-F393 WeakPolarHBondContact CA-O 3.04Å; Y295-F393 HydrophobicContact CD1-CB 3.97Å; Y295-F393 HydrophobicContact CE1-CB 4.18Å; E296-F393 PolarHBondContact N-O 3.32Å |
| 394 | K | 92.9 | Very high | 83.5 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 1% | 0.013 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 127.1 | -179.5 | -170.8 | 167.7 | -178.3 | 171.6 | 0 | 112.2 | E296 A382 S385 P387 A421 R422 | E296-K394 CarbonylContact O-C 3.54Å; E296-K394 WeakPolarHBondContact O-CA 3.39Å; E296-K394 IonicContact OE1-NZ 3.2Å; A382-K394 WeakPolarHBondContact O-CE 3.29Å; A382-K394 PolarHBondContact O-NZ 2.97Å; S385-K394 PolarHBondContact O-NZ 2.7Å; S385-K394 PolarHBondContact OG-NZ 3.39Å; P387-K394 HydrophobicContact CG-CB 4.07Å; K394-A421 HydrophobicContact CB-CB 3.95Å; K394-A421 HydrophobicContact CD-CB 4.13Å; K394-A421 HydrophobicContact CG-CB 3.85Å; K394-A421 WeakPolarHBondContact O-CA 3.48Å; K394-R422 PolarHBondContact O-N 2.7Å; K394-R422 VanDerWaalsContact O-N 3.09Å |
| 395 | Q | 94.6 | Very high | 83.5 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117 | 178 | -45.7 | -59.3 | -43.1 | 0 | 0 | 108.5 | Y295 E296 F297 V298 R422 F424 A468 | Y295-Q395 HydrophobicContact CD1-CG 3.97Å; E296-Q395 PolarHBondContact O-N 3.33Å; F297-Q395 CarbonylContact C-O 3.4Å; F297-Q395 WeakPolarHBondContact CA-O 3.35Å; F297-Q395 HydrophobicContact CD1-CB 3.78Å; F297-Q395 HydrophobicContact CD1-CG 4.25Å; F297-Q395 HydrophobicContact CE1-CB 3.86Å; F297-Q395 HydrophobicContact CE1-CG 3.9Å; F297-Q395 HydrophobicContact CZ-CG 4.39Å; V298-Q395 PolarHBondContact N-O 3.42Å; Q395-R422 VanDerWaalsContact OE1-CZ 3.28Å; Q395-F424 HydrophobicContact CB-CE2 4.48Å; Q395-A468 HydrophobicContact CB-CB 4.27Å; Q395-A468 HydrophobicContact CG-CB 4.37Å; Q395-A468 PolarHBondContact OE1-O 2.96Å |
| 396 | I | 97.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.6 | 174.4 | -57.1 | 177.8 | 0 | 0 | 0 | 107.6 | V298 L300 L379 A382 L383 A421 R422 V423 F424 | V298-I396 HydrophobicContact CB-CG1 4.2Å; V298-I396 CarbonylContact O-C 3.57Å; V298-I396 WeakPolarHBondContact O-CA 3.5Å; L300-I396 HydrophobicContact CB-CG2 4.45Å; L379-I396 HydrophobicContact CD2-CG2 4.43Å; A382-I396 HydrophobicContact CB-CD1 4.04Å; L383-I396 HydrophobicContact CD2-CD1 3.53Å; L383-I396 HydrophobicContact CG-CD1 3.9Å; I396-A421 HydrophobicContact CD1-CB 4.03Å; I396-A421 HydrophobicContact CG1-CB 4.2Å; I396-R422 PolarHBondContact N-O 2.96Å; I396-V423 HydrophobicContact CB-CG1 4.28Å; I396-V423 HydrophobicContact CB-CG2 4.26Å; I396-V423 HydrophobicContact CD1-CG2 4.34Å; I396-V423 HydrophobicContact CG2-CG1 4.24Å; I396-V423 CarbonylContact O-C 3.45Å; I396-V423 WeakPolarHBondContact O-CA 3.48Å; I396-F424 PolarHBondContact O-N 3.38Å |
| 397 | I | 98.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.3 | 172.6 | -58.8 | 172.8 | 0 | 0 | 0 | 107.1 | F297 V298 F299 L300 F322 L399 F424 T464 A468 | F297-I397 HydrophobicContact CD1-CD1 4.45Å; V298-I397 PolarHBondContact O-N 3.27Å; F299-I397 HydrophobicContact CD1-CB 4.19Å; F299-I397 HydrophobicContact CD1-CD1 4.24Å; F299-I397 HydrophobicContact CE1-CD1 3.81Å; L300-I397 PolarHBondContact N-O 2.8Å; F322-I397 HydrophobicContact CD1-CD1 4.24Å; F322-I397 HydrophobicContact CE1-CD1 3.84Å; F322-I397 HydrophobicContact CE1-CG2 4.49Å; F322-I397 HydrophobicContact CE2-CG2 4.02Å; F322-I397 HydrophobicContact CZ-CD1 4.14Å; F322-I397 HydrophobicContact CZ-CG2 3.74Å; I397-L399 HydrophobicContact CG2-CD1 3.74Å; I397-F424 WeakPolarHBondContact CA-O 3.05Å; I397-F424 HydrophobicContact CG1-CB 4.29Å; I397-F424 HydrophobicContact CG1-CD2 4.49Å; I397-T464 HydrophobicContact CD1-CG2 4.2Å; I397-T464 HydrophobicContact CG1-CG2 4.23Å; I397-T464 HydrophobicContact CG2-CG2 3.82Å; I397-A468 HydrophobicContact CD1-CB 4.44Å |
| 398 | F | 98.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.9 | -174.5 | 176.1 | -135.5 | 0 | 0 | 0 | 110.6 | L300 F337 A375 L379 T400 V423 F424 T425 I426 L436 V440 | L300-F398 HydrophobicContact CB-CD2 4.21Å; L300-F398 HydrophobicContact CD2-CD2 3.67Å; L300-F398 HydrophobicContact CD2-CE2 4.05Å; L300-F398 HydrophobicContact CD2-CG 4.5Å; L300-F398 HydrophobicContact CG-CD2 3.9Å; L300-F398 HydrophobicContact CG-CE2 4.38Å; L300-F398 WeakPolarHBondContact O-CA 3.14Å; F337-F398 HydrophobicContact CE1-CD2 4.16Å; F337-F398 AromaticContact CE1-CE2 3.57Å; F337-F398 HydrophobicContact CE1-CE2 3.57Å; F337-F398 HydrophobicContact CZ-CD2 4.47Å; F337-F398 AromaticContact CZ-CE2 3.47Å; F337-F398 HydrophobicContact CZ-CE2 3.47Å; F337-F398 VanDerWaalsContact CZ-CE2 3.47Å; F337-F398 HydrophobicContact CZ-CZ 4.16Å; A375-F398 HydrophobicContact CB-CZ 4.09Å; L379-F398 HydrophobicContact CD1-CE1 4.36Å; L379-F398 HydrophobicContact CD1-CZ 4.4Å; F398-T400 HydrophobicContact CD1-CG2 4.11Å; F398-T400 HydrophobicContact CE1-CG2 3.45Å; F398-T400 VanDerWaalsContact CE1-CG2 3.45Å; F398-T400 HydrophobicContact CE2-CG2 3.97Å; F398-T400 HydrophobicContact CZ-CG2 3.38Å; F398-V423 HydrophobicContact CB-CG1 4.5Å; F398-F424 PolarHBondContact N-O 3.35Å; F398-T425 HydrophobicContact CB-CG2 4.25Å; F398-T425 HydrophobicContact CD1-CG2 3.94Å; F398-T425 CarbonylContact O-C 3.57Å; F398-T425 VanDerWaalsContact O-CA 3.28Å; F398-T425 WeakPolarHBondContact O-CA 3.34Å; F398-I426 PolarHBondContact O-N 3.36Å; F398-L436 HydrophobicContact CE1-CD2 4.06Å; F398-L436 HydrophobicContact CE1-CG 4.5Å; F398-L436 HydrophobicContact CZ-CD2 4.39Å; F398-V440 HydrophobicContact CD1-CG1 4.2Å |
| 399 | L | 98.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.9 | -179.3 | -67.3 | 81.9 | 0 | 0 | 0 | 108.9 | L300 I301 D302 F322 I397 I426 L428 | L300-L399 PolarHBondContact O-N 3.49Å; I301-L399 HydrophobicContact CG1-CD1 4.31Å; D302-L399 VanDerWaalsContact CB-O 3.23Å; D302-L399 WeakPolarHBondContact CB-O 3.34Å; D302-L399 PolarHBondContact N-O 3.41Å; F322-L399 HydrophobicContact CE2-CD1 4.22Å; F322-L399 HydrophobicContact CE2-CD2 4.31Å; I397-L399 HydrophobicContact CG2-CD1 3.74Å; L399-I426 WeakPolarHBondContact CA-O 3.43Å; L399-I426 HydrophobicContact CG-CB 4.26Å; L399-L428 HydrophobicContact CB-CD1 4.19Å; L399-L428 HydrophobicContact CD2-CD1 4.49Å |
| 400 | T | 96.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 158.7 | -179.2 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | D302 F398 G402 I426 G427 L428 L436 I437 | D302-T400 WeakPolarHBondContact OD2-CB 3.37Å; D302-T400 PolarHBondContact OD2-OG1 3.34Å; F398-T400 HydrophobicContact CD1-CG2 4.11Å; F398-T400 HydrophobicContact CE1-CG2 3.45Å; F398-T400 VanDerWaalsContact CE1-CG2 3.45Å; F398-T400 HydrophobicContact CE2-CG2 3.97Å; F398-T400 HydrophobicContact CZ-CG2 3.38Å; T400-G402 PolarHBondContact OG1-N 2.95Å; T400-I426 PolarHBondContact N-O 3.3Å; T400-G427 CarbonylContact O-C 3.49Å; T400-G427 WeakPolarHBondContact O-CA 3.48Å; T400-L428 PolarHBondContact O-N 3.13Å; T400-L436 HydrophobicContact CG2-CD2 4.1Å; T400-I437 HydrophobicContact CG2-CD1 3.48Å; T400-I437 VanDerWaalsContact CG2-CD1 3.48Å |
| 401 | D | 89.7 | Confident | 91.1 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | trans | -81.8 | -0.2 | 164.2 | 58.6 | 9 | 0 | 0 | 0 | 112.5 | S306 M307 D403 L428 V432 S433 | S306-D401 VanDerWaalsContact C-OD2 3.22Å; S306-D401 WeakPolarHBondContact CB-OD2 3.24Å; S306-D401 PolarHBondContact OG-OD1 3.22Å; S306-D401 PolarHBondContact OG-OD2 3.4Å; M307-D401 PolarHBondContact N-OD2 3.31Å; M307-D401 HydrophobicContact SD-CB 3.88Å; D401-D403 VanDerWaalsContact C-N 3.26Å; D401-D403 PolarHBondContact O-N 2.96Å; D401-L428 WeakPolarHBondContact CA-O 3.41Å; D401-L428 VanDerWaalsContact CB-O 3.31Å; D401-L428 WeakPolarHBondContact CB-O 3.46Å; D401-V432 VanDerWaalsContact O-CA 3.23Å; D401-V432 WeakPolarHBondContact O-CA 3.43Å; D401-V432 WeakPolarHBondContact O-CB 3.38Å; D401-V432 WeakPolarHBondContact O-CG2 3.26Å; D401-S433 PolarHBondContact O-N 2.83Å | ||
| 402 | G | 78.9 | Confident | 91.9 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | trans | 74.1 | 13.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T400 V404 S433 | T400-G402 PolarHBondContact OG1-N 2.95Å; G402-V404 PolarHBondContact O-N 3.38Å; G402-S433 WeakPolarHBondContact O-CB 3.26Å | ||
| 403 | D | 79 | Confident | 92.3 | Very high | 12 Ų | 12 | 6.2 Ų | 6.2 | 6% | 0.064 | 3% | 0.03 | C | C | . | . | trans | -77.3 | 53.8 | -175.9 | -75.3 | -16.5 | 0 | 0 | 0 | 112.3 | N167 P168 R169 Y170 D401 | N167-D403 WeakPolarHBondContact CB-OD1 3.18Å; P168-D403 VanDerWaalsContact O-CB 3.31Å; P168-D403 WeakPolarHBondContact O-CB 3.21Å; R169-D403 IonicContact NH1-OD1 2.99Å; R169-D403 PolarHBondContact NH1-OD1 3.36Å; R169-D403 VanDerWaalsContact NH1-OD1 3.1Å; Y170-D403 WeakPolarHBondContact CA-O 2.81Å; Y170-D403 WeakPolarHBondContact CB-O 3.48Å; Y170-D403 PolarHBondContact N-O 3.47Å; D401-D403 VanDerWaalsContact C-N 3.26Å; D401-D403 PolarHBondContact O-N 2.96Å | ||
| 404 | V | 85.1 | Confident | 92.8 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.018 | C | C | . | . | B | Isolated β-bridge | trans | -115.5 | 135.5 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | Y170 T373 A375 G402 L436 | Y170-V404 CarbonylContact O-C 3.52Å; Y170-V404 WeakPolarHBondContact O-CA 3.42Å; T373-V404 HydrophobicContact CG2-CG1 3.46Å; T373-V404 VanDerWaalsContact CG2-CG1 3.46Å; A375-V404 HydrophobicContact CB-CG1 4.05Å; G402-V404 PolarHBondContact O-N 3.38Å; V404-L436 HydrophobicContact CG2-CD1 3.59Å; V404-L436 HydrophobicContact CG2-CD2 3.5Å; V404-L436 VanDerWaalsContact CG2-CD2 3.5Å; V404-L436 HydrophobicContact CG2-CG 4.04Å |
| 405 | G | 84 | Confident | 92.9 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -91.2 | -1.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | H113 Y170 Y171 | H113-G405 WeakPolarHBondContact CB-O 3.47Å; Y170-G405 PolarHBondContact O-N 2.99Å; Y171-G405 WeakPolarHBondContact CE1-O 3.32Å |
| 406 | N | 89.3 | Confident | 92.9 | Very high | 6 Ų | 6 | 8.4 Ų | 8.4 | 3% | 0.032 | 4% | 0.041 | C | C | . | . | trans | -114.6 | 38.1 | 176.5 | 73.4 | -34.9 | 0 | 0 | 0 | 112.3 | P172 D408 E409 V410 | P172-N406 HydrophobicContact CG-CB 4.37Å; P172-N406 WeakPolarHBondContact CG-OD1 3.39Å; N406-D408 PolarHBondContact O-N 2.68Å; N406-D408 VanDerWaalsContact O-N 3.12Å; N406-E409 HydrophobicContact CB-CG 4.32Å; N406-E409 PolarHBondContact ND2-OE2 3.44Å; N406-E409 PolarHBondContact O-N 3.05Å; N406-V410 PolarHBondContact O-N 3.1Å | ||
| 407 | A | 93.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.008 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -55.6 | -34.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H113 E409 V410 I411 L436 | H113-A407 WeakPolarHBondContact O-CB 3.31Å; A407-E409 PolarHBondContact O-N 2.65Å; A407-V410 WeakPolarHBondContact O-CB 3.43Å; A407-V410 PolarHBondContact O-N 3.03Å; A407-I411 HydrophobicContact CB-CD1 4.46Å; A407-I411 WeakPolarHBondContact O-CB 3.01Å; A407-I411 WeakPolarHBondContact O-CD1 3.2Å; A407-I411 WeakPolarHBondContact O-CG1 3.4Å; A407-I411 PolarHBondContact O-N 3.04Å; A407-L436 HydrophobicContact CB-CB 4.18Å; A407-L436 HydrophobicContact CB-CD1 3.69Å |
| 408 | D | 94.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 9.8 Ų | 9.8 | 10% | 0.096 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -57.2 | -45 | 175.5 | -62.9 | -27.2 | 0 | 0 | 0 | 113.7 | E112 H113 N406 V410 I411 G412 H582 K616 | E112-D408 VanDerWaalsContact O-OD2 3.1Å; H113-D408 VanDerWaalsContact CA-OD2 3.32Å; H113-D408 WeakPolarHBondContact CA-OD2 3.36Å; H113-D408 IonicContact CE1-OD2 3.26Å; H113-D408 IonicContact CG-OD2 3.56Å; H113-D408 IonicContact ND1-OD2 2.64Å; H113-D408 PolarHBondContact ND1-OD2 2.82Å; N406-D408 PolarHBondContact O-N 2.68Å; N406-D408 VanDerWaalsContact O-N 3.12Å; D408-V410 VanDerWaalsContact C-N 3.28Å; D408-V410 PolarHBondContact O-N 3.34Å; D408-I411 PolarHBondContact O-N 3.2Å; D408-G412 PolarHBondContact O-N 2.86Å; D408-H582 VanDerWaalsContact CB-CE1 3.49Å; D408-H582 WeakPolarHBondContact CB-CE1 3.3Å; D408-H582 IonicContact OD1-CE1 3.86Å; D408-H582 PolarHBondContact OD1-CE1 3.13Å; D408-H582 IonicContact OD1-ND1 3.22Å; D408-H582 IonicContact OD1-NE2 2.71Å; D408-H582 IonicContact OD2-CE1 3.41Å; D408-H582 IonicContact OD2-NE2 2.79Å; D408-K616 IonicContact OD2-NZ 3.64Å; D408-K616 PolarHBondContact OD2-NZ 3Å |
| 409 | E | 95 | Very high | 91.9 | Very high | 17 Ų | 17 | 16.9 Ų | 16.9 | 8% | 0.079 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 179.5 | -60.4 | 179.7 | 169.3 | 0 | 0 | 110.3 | K176 Y376 N406 A407 L413 | K176-E409 WeakPolarHBondContact CA-OE1 3.25Å; K176-E409 HydrophobicContact CB-CG 4.45Å; K176-E409 WeakPolarHBondContact CB-OE1 3.44Å; K176-E409 PolarHBondContact N-OE1 3.17Å; Y376-E409 HydrophobicContact CD2-CB 3.85Å; Y376-E409 HydrophobicContact CE2-CB 4.02Å; Y376-E409 WeakPolarHBondContact CE2-O 3.43Å; N406-E409 HydrophobicContact CB-CG 4.32Å; N406-E409 PolarHBondContact ND2-OE2 3.44Å; N406-E409 PolarHBondContact O-N 3.05Å; A407-E409 PolarHBondContact O-N 2.65Å; E409-L413 VanDerWaalsContact O-CB 3.25Å; E409-L413 WeakPolarHBondContact O-CB 3.46Å; E409-L413 PolarHBondContact O-N 2.69Å |
| 410 | V | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.8 | -46.3 | 177.2 | -178 | 0 | 0 | 0 | 0 | 110.8 | A375 L379 N406 A407 D408 L413 V414 L436 V440 | A375-V410 HydrophobicContact CB-CG2 4.49Å; L379-V410 HydrophobicContact CD1-CG1 3.25Å; N406-V410 PolarHBondContact O-N 3.1Å; A407-V410 WeakPolarHBondContact O-CB 3.43Å; A407-V410 PolarHBondContact O-N 3.03Å; D408-V410 VanDerWaalsContact C-N 3.28Å; D408-V410 PolarHBondContact O-N 3.34Å; V410-L413 PolarHBondContact O-N 2.92Å; V410-V414 VanDerWaalsContact O-CG2 3.31Å; V410-V414 WeakPolarHBondContact O-CG2 3.48Å; V410-V414 PolarHBondContact O-N 2.88Å; V410-V414 VanDerWaalsContact O-N 3.1Å; V410-L436 HydrophobicContact CB-CD1 4.03Å; V410-L436 HydrophobicContact CG1-CD1 4.01Å; V410-L436 HydrophobicContact CG2-CD1 4.44Å; V410-V440 HydrophobicContact CG1-CG2 3.74Å |
| 411 | I | 96.6 | Very high | 91.2 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.051 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 177.3 | -68.8 | 165.4 | 0 | 0 | 0 | 110.3 | A407 D408 L413 V414 R415 V440 A443 D579 | A407-I411 HydrophobicContact CB-CD1 4.46Å; A407-I411 WeakPolarHBondContact O-CB 3.01Å; A407-I411 WeakPolarHBondContact O-CD1 3.2Å; A407-I411 WeakPolarHBondContact O-CG1 3.4Å; A407-I411 PolarHBondContact O-N 3.04Å; D408-I411 PolarHBondContact O-N 3.2Å; I411-L413 VanDerWaalsContact C-N 3.34Å; I411-L413 PolarHBondContact O-N 3.35Å; I411-V414 PolarHBondContact O-N 3.22Å; I411-R415 WeakPolarHBondContact O-CB 3.39Å; I411-R415 PolarHBondContact O-N 3.05Å; I411-V440 HydrophobicContact CG1-CG2 4.16Å; I411-A443 HydrophobicContact CG2-CB 3.86Å; I411-D579 WeakPolarHBondContact CG2-OD1 3.44Å |
| 412 | G | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D408 V414 R415 M416 L586 | D408-G412 PolarHBondContact O-N 2.86Å; G412-V414 PolarHBondContact O-N 3.26Å; G412-R415 PolarHBondContact O-N 2.76Å; G412-M416 WeakPolarHBondContact O-CB 3.5Å; G412-M416 PolarHBondContact O-N 3.13Å; G412-L586 VanDerWaalsContact C-CD1 3.43Å |
| 413 | L | 96.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.8 | 172.5 | 67.7 | 0 | 0 | 0 | 111.4 | Y376 L379 K380 L383 E409 V410 I411 M416 N417 L586 | Y376-L413 HydrophobicContact CD2-CB 4.27Å; Y376-L413 HydrophobicContact CD2-CD2 3.93Å; Y376-L413 HydrophobicContact CE2-CB 3.81Å; Y376-L413 HydrophobicContact CE2-CD2 3.89Å; Y376-L413 HydrophobicContact CE2-CG 4.28Å; Y376-L413 HydrophobicContact CG-CD2 4.27Å; Y376-L413 WeakPolarHBondContact O-CD2 3.27Å; L379-L413 HydrophobicContact CB-CD2 4.14Å; K380-L413 HydrophobicContact CB-CD1 4.38Å; K380-L413 HydrophobicContact CB-CD2 3.78Å; K380-L413 HydrophobicContact CG-CD1 4.31Å; L383-L413 HydrophobicContact CD1-CD2 4.42Å; L383-L413 HydrophobicContact CD1-CG 4.04Å; E409-L413 VanDerWaalsContact O-CB 3.25Å; E409-L413 WeakPolarHBondContact O-CB 3.46Å; E409-L413 PolarHBondContact O-N 2.69Å; V410-L413 PolarHBondContact O-N 2.92Å; I411-L413 VanDerWaalsContact C-N 3.34Å; I411-L413 PolarHBondContact O-N 3.35Å; L413-M416 HydrophobicContact CD1-CE 3.94Å; L413-N417 PolarHBondContact O-N 3.15Å; L413-N417 PolarHBondContact O-ND2 3.07Å; L413-L586 HydrophobicContact CB-CD1 3.94Å |
| 414 | V | 97.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.7 | -45.3 | 177.7 | 170.8 | 0 | 0 | 0 | 0 | 110.1 | L379 L383 V410 I411 G412 M416 N417 V418 V423 V440 A443 | L379-V414 HydrophobicContact CD1-CG2 4.36Å; L383-V414 HydrophobicContact CD1-CG2 4.2Å; V410-V414 VanDerWaalsContact O-CG2 3.31Å; V410-V414 WeakPolarHBondContact O-CG2 3.48Å; V410-V414 PolarHBondContact O-N 2.88Å; V410-V414 VanDerWaalsContact O-N 3.1Å; I411-V414 PolarHBondContact O-N 3.22Å; G412-V414 PolarHBondContact O-N 3.26Å; V414-M416 VanDerWaalsContact C-N 3.33Å; V414-M416 PolarHBondContact O-N 2.64Å; V414-N417 CarbonylContact O-C 3.56Å; V414-N417 PolarHBondContact O-N 2.71Å; V414-V418 PolarHBondContact O-N 3.09Å; V414-V418 VanDerWaalsContact O-N 3.08Å; V414-V423 HydrophobicContact CG1-CB 4.13Å; V414-V423 HydrophobicContact CG1-CG2 3.76Å; V414-V423 HydrophobicContact CG2-CG2 4.49Å; V414-V440 HydrophobicContact CG2-CG1 4.09Å; V414-A443 HydrophobicContact CB-CB 4.44Å; V414-A443 HydrophobicContact CG1-CB 4.13Å |
| 415 | R | 95.5 | Very high | 93.8 | Very high | 29 Ų | 29 | 21.2 Ų | 21.2 | 11% | 0.109 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.4 | -44 | 177.2 | -178.9 | 54.1 | 168.9 | -158.7 | -12.8 | 112.2 | I411 G412 N417 V418 A443 | I411-R415 WeakPolarHBondContact O-CB 3.39Å; I411-R415 PolarHBondContact O-N 3.05Å; G412-R415 PolarHBondContact O-N 2.76Å; R415-N417 PolarHBondContact O-N 3.43Å; R415-V418 WeakPolarHBondContact O-CG1 3.47Å; R415-V418 PolarHBondContact O-N 2.84Å; R415-A443 HydrophobicContact CB-CB 4.05Å |
| 416 | M | 93.9 | Very high | 94.5 | Very high | 78 Ų | 78 | 21.2 Ų | 21.2 | 38% | 0.384 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -62.1 | -24.3 | 177.5 | -177.6 | 177.5 | 64.7 | 0 | 0 | 113 | G412 L413 V414 | G412-M416 WeakPolarHBondContact O-CB 3.5Å; G412-M416 PolarHBondContact O-N 3.13Å; L413-M416 HydrophobicContact CD1-CE 3.94Å; V414-M416 VanDerWaalsContact C-N 3.33Å; V414-M416 PolarHBondContact O-N 2.64Å |
| 417 | N | 93.9 | Very high | 94.9 | Very high | 15 Ų | 15 | 21 Ų | 21 | 8% | 0.08 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 15.7 | -177 | -67.2 | -86.6 | 0 | 0 | 0 | 113.4 | L383 L413 V414 R415 D419 K420 | L383-N417 HydrophobicContact CB-CB 4.23Å; L383-N417 HydrophobicContact CD1-CB 4.15Å; L383-N417 HydrophobicContact CD2-CB 3.94Å; L383-N417 HydrophobicContact CG-CB 4.34Å; L413-N417 PolarHBondContact O-N 3.15Å; L413-N417 PolarHBondContact O-ND2 3.07Å; V414-N417 CarbonylContact O-C 3.56Å; V414-N417 PolarHBondContact O-N 2.71Å; R415-N417 PolarHBondContact O-N 3.43Å; N417-D419 PolarHBondContact O-N 2.97Å; N417-D419 VanDerWaalsContact O-N 3.12Å; N417-K420 HydrophobicContact CB-CD 4.32Å; N417-K420 WeakPolarHBondContact O-CB 3.25Å; N417-K420 PolarHBondContact O-N 2.63Å; N417-K420 WeakPolarHBondContact OD1-CD 3.19Å; N417-K420 WeakPolarHBondContact OD1-CE 3.44Å; N417-K420 PolarHBondContact OD1-NZ 2.59Å |
| 418 | V | 91.2 | Very high | 95 | Very high | 15 Ų | 15 | 20.9 Ų | 20.9 | 9% | 0.091 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.9 | -174.9 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | V414 R415 K420 A443 N445 | V414-V418 PolarHBondContact O-N 3.09Å; V414-V418 VanDerWaalsContact O-N 3.08Å; R415-V418 WeakPolarHBondContact O-CG1 3.47Å; R415-V418 PolarHBondContact O-N 2.84Å; V418-K420 VanDerWaalsContact C-N 3.3Å; V418-K420 PolarHBondContact O-N 2.82Å; V418-A443 WeakPolarHBondContact CG2-O 3.27Å; V418-N445 HydrophobicContact CG2-CB 3.89Å; V418-N445 VanDerWaalsContact CG2-ND2 3.32Å; V418-N445 WeakPolarHBondContact CG2-ND2 3.47Å |
| 419 | D | 88.5 | Confident | 94.8 | Very high | 149 Ų | 149 | 20.3 Ų | 20.3 | 80% | 0.797 | 10% | 0.101 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -21.7 | 177.6 | -64.3 | -40.1 | 0 | 0 | 0 | 112.9 | N417 | N417-D419 PolarHBondContact O-N 2.97Å; N417-D419 VanDerWaalsContact O-N 3.12Å |
| 420 | K | 89.8 | Confident | 94.3 | Very high | 94 Ų | 94 | 21.1 Ų | 21.1 | 41% | 0.409 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -34.8 | -176.9 | -61.2 | -179.6 | -175.4 | 166.5 | 0 | 113.1 | N417 V418 | N417-K420 HydrophobicContact CB-CD 4.32Å; N417-K420 WeakPolarHBondContact O-CB 3.25Å; N417-K420 PolarHBondContact O-N 2.63Å; N417-K420 WeakPolarHBondContact OD1-CD 3.19Å; N417-K420 WeakPolarHBondContact OD1-CE 3.44Å; N417-K420 PolarHBondContact OD1-NZ 2.59Å; V418-K420 VanDerWaalsContact C-N 3.3Å; V418-K420 PolarHBondContact O-N 2.82Å |
| 421 | A | 92.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 152.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L383 K394 I396 | L383-A421 HydrophobicContact CD2-CB 4.13Å; K394-A421 HydrophobicContact CB-CB 3.95Å; K394-A421 HydrophobicContact CD-CB 4.13Å; K394-A421 HydrophobicContact CG-CB 3.85Å; K394-A421 WeakPolarHBondContact O-CA 3.48Å; I396-A421 HydrophobicContact CD1-CB 4.03Å; I396-A421 HydrophobicContact CG1-CB 4.2Å |
| 422 | R | 93.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 21.1 Ų | 21.1 | 3% | 0.03 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 144.1 | 160.9 | -71.2 | -170.6 | -64.1 | -171.4 | -1.3 | 109.9 | K394 Q395 I396 F424 G444 N445 A468 Q470 | K394-R422 PolarHBondContact O-N 2.7Å; K394-R422 VanDerWaalsContact O-N 3.09Å; Q395-R422 VanDerWaalsContact OE1-CZ 3.28Å; I396-R422 PolarHBondContact N-O 2.96Å; R422-F424 HydrophobicContact CB-CE2 3.72Å; R422-F424 HydrophobicContact CB-CZ 4.2Å; R422-G444 CarbonylContact C-O 3.51Å; R422-G444 VanDerWaalsContact CA-O 3.24Å; R422-G444 WeakPolarHBondContact CA-O 3.33Å; R422-N445 WeakPolarHBondContact CD-O 3.49Å; R422-N445 HydrophobicContact CG-CB 4.46Å; R422-A468 PolarHBondContact NH2-O 3.46Å; R422-Q470 PolarHBondContact NH2-O 2.82Å |
| 423 | V | 97.2 | Very high | 93 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.5 | 177.1 | -168.6 | 0 | 0 | 0 | 0 | 109.8 | L383 I396 F398 V414 V440 G444 G446 | L383-V423 HydrophobicContact CD2-CG2 4.35Å; I396-V423 HydrophobicContact CB-CG1 4.28Å; I396-V423 HydrophobicContact CB-CG2 4.26Å; I396-V423 HydrophobicContact CD1-CG2 4.34Å; I396-V423 HydrophobicContact CG2-CG1 4.24Å; I396-V423 CarbonylContact O-C 3.45Å; I396-V423 WeakPolarHBondContact O-CA 3.48Å; F398-V423 HydrophobicContact CB-CG1 4.5Å; V414-V423 HydrophobicContact CG1-CB 4.13Å; V414-V423 HydrophobicContact CG1-CG2 3.76Å; V414-V423 HydrophobicContact CG2-CG2 4.49Å; V423-V440 HydrophobicContact CB-CG1 4.34Å; V423-V440 HydrophobicContact CG1-CG1 3.57Å; V423-G444 PolarHBondContact N-O 2.95Å; V423-G446 VanDerWaalsContact O-CA 3.29Å; V423-G446 WeakPolarHBondContact O-CA 3.22Å |
| 424 | F | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 150.9 | 173.6 | -57.8 | -94.9 | 0 | 0 | 0 | 109 | Q395 I396 I397 F398 R422 T447 T464 A467 A468 F507 | Q395-F424 HydrophobicContact CB-CE2 4.48Å; I396-F424 PolarHBondContact O-N 3.38Å; I397-F424 WeakPolarHBondContact CA-O 3.05Å; I397-F424 HydrophobicContact CG1-CB 4.29Å; I397-F424 HydrophobicContact CG1-CD2 4.49Å; F398-F424 PolarHBondContact N-O 3.35Å; R422-F424 HydrophobicContact CB-CE2 3.72Å; R422-F424 HydrophobicContact CB-CZ 4.2Å; F424-T447 WeakPolarHBondContact CA-O 3.42Å; F424-T447 VanDerWaalsContact CD1-N 3.29Å; F424-T447 WeakPolarHBondContact CD1-OG1 3.38Å; F424-T464 HydrophobicContact CB-CG2 3.78Å; F424-T464 HydrophobicContact CG-CG2 4.36Å; F424-A467 HydrophobicContact CD1-CB 4.3Å; F424-A467 HydrophobicContact CE1-CB 3.76Å; F424-A468 HydrophobicContact CD2-CB 3.96Å; F424-A468 HydrophobicContact CE1-CB 4.47Å; F424-A468 HydrophobicContact CE2-CB 3.66Å; F424-A468 VanDerWaalsContact CZ-CA 3.48Å; F424-A468 HydrophobicContact CZ-CB 3.95Å; F424-F507 AromaticContact CE1-CE1 3.78Å; F424-F507 HydrophobicContact CE1-CE1 3.78Å; F424-F507 AromaticContact CE1-CZ 3.99Å; F424-F507 HydrophobicContact CE1-CZ 3.99Å; F424-F507 HydrophobicContact CZ-CE1 4.1Å; F424-F507 HydrophobicContact CZ-CZ 4.34Å |
| 425 | T | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143 | -177 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | F398 I437 V440 A441 T447 A448 E449 | F398-T425 HydrophobicContact CB-CG2 4.25Å; F398-T425 HydrophobicContact CD1-CG2 3.94Å; F398-T425 CarbonylContact O-C 3.57Å; F398-T425 VanDerWaalsContact O-CA 3.28Å; F398-T425 WeakPolarHBondContact O-CA 3.34Å; T425-I437 VanDerWaalsContact OG1-CG2 3.31Å; T425-I437 WeakPolarHBondContact OG1-CG2 3.32Å; T425-I437 PolarHBondContact OG1-O 3.5Å; T425-V440 HydrophobicContact CG2-CB 3.78Å; T425-V440 HydrophobicContact CG2-CG1 3.48Å; T425-V440 VanDerWaalsContact CG2-CG1 3.48Å; T425-A441 HydrophobicContact CG2-CB 4.19Å; T425-A441 WeakPolarHBondContact OG1-CB 3.15Å; T425-T447 PolarHBondContact N-O 2.94Å; T425-A448 WeakPolarHBondContact OG1-CA 3.49Å; T425-A448 WeakPolarHBondContact OG1-CB 3.27Å; T425-E449 PolarHBondContact O-N 3.28Å |
| 426 | I | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 110.2 | 168 | -55.4 | -172.9 | 0 | 0 | 0 | 107.5 | F322 F398 L399 T400 L428 E449 V451 V461 T464 | F322-I426 HydrophobicContact CE2-CD1 4.18Å; F322-I426 HydrophobicContact CZ-CD1 3.66Å; F398-I426 PolarHBondContact O-N 3.36Å; L399-I426 WeakPolarHBondContact CA-O 3.43Å; L399-I426 HydrophobicContact CG-CB 4.26Å; T400-I426 PolarHBondContact N-O 3.3Å; I426-L428 HydrophobicContact CG2-CD2 3.73Å; I426-L428 HydrophobicContact CG2-CG 4.39Å; I426-E449 CarbonylContact C-O 3.56Å; I426-E449 WeakPolarHBondContact CA-O 3.22Å; I426-E449 HydrophobicContact CG1-CB 4.32Å; I426-V451 HydrophobicContact CG2-CG2 3.85Å; I426-V461 HydrophobicContact CD1-CG2 4.16Å; I426-T464 HydrophobicContact CD1-CG2 4.2Å; I426-T464 HydrophobicContact CG1-CG2 4.27Å |
| 427 | G | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 127.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | T400 E449 F450 V451 | T400-G427 CarbonylContact O-C 3.49Å; T400-G427 WeakPolarHBondContact O-CA 3.48Å; G427-E449 PolarHBondContact N-O 3.44Å; G427-F450 CarbonylContact O-C 3.55Å; G427-F450 WeakPolarHBondContact O-CA 3.27Å; G427-V451 PolarHBondContact O-N 3.19Å |
| 428 | L | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.2 | -175.1 | -61.5 | 175.8 | 0 | 0 | 0 | 111.5 | M307 A315 L399 T400 D401 I426 V451 | M307-L428 HydrophobicContact CE-CD1 3.66Å; A315-L428 HydrophobicContact CB-CD1 3.98Å; L399-L428 HydrophobicContact CB-CD1 4.19Å; L399-L428 HydrophobicContact CD2-CD1 4.49Å; T400-L428 PolarHBondContact O-N 3.13Å; D401-L428 WeakPolarHBondContact CA-O 3.41Å; D401-L428 VanDerWaalsContact CB-O 3.31Å; D401-L428 WeakPolarHBondContact CB-O 3.46Å; I426-L428 HydrophobicContact CG2-CD2 3.73Å; I426-L428 HydrophobicContact CG2-CG 4.39Å; L428-V451 HydrophobicContact CD2-CB 3.91Å; L428-V451 HydrophobicContact CD2-CG2 4.16Å |
| 429 | G | 89.9 | Confident | 93 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 96.4 | 171.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N311 V432 V451 | N311-G429 WeakPolarHBondContact OD1-CA 3.28Å; N311-G429 PolarHBondContact OD1-N 3.21Å; G429-V432 WeakPolarHBondContact O-CG1 3.31Å; G429-V451 PolarHBondContact N-O 2.87Å |
| 430 | Q | 84.7 | Confident | 93.4 | Very high | 34 Ų | 34 | 9.5 Ų | 9.5 | 16% | 0.159 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 144.8 | 170.9 | -62.6 | -67.9 | -17.8 | 0 | 0 | 109.9 | V165 N167 V432 R452 | V165-Q430 HydrophobicContact CG1-CB 4.49Å; N167-Q430 PolarHBondContact ND2-O 3.06Å; N167-Q430 PolarHBondContact OD1-O 3.42Å; Q430-V432 PolarHBondContact O-N 3.48Å; Q430-R452 PolarHBondContact NE2-O 3.37Å |
| 431 | G | 81.1 | Confident | 93.7 | Very high | 6 Ų | 6 | 5.1 Ų | 5.1 | 6% | 0.062 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 6.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | N167 | N167-G431 PolarHBondContact ND2-O 3.28Š|
| 432 | V | 89.5 | Confident | 93.8 | Very high | 5 Ų | 5 | 9.4 Ų | 9.4 | 3% | 0.03 | 5% | 0.052 | C | C | . | . | trans | -53.4 | 139.5 | 177.2 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | D401 G429 Q430 T434 I437 F450 | D401-V432 VanDerWaalsContact O-CA 3.23Å; D401-V432 WeakPolarHBondContact O-CA 3.43Å; D401-V432 WeakPolarHBondContact O-CB 3.38Å; D401-V432 WeakPolarHBondContact O-CG2 3.26Å; G429-V432 WeakPolarHBondContact O-CG1 3.31Å; Q430-V432 PolarHBondContact O-N 3.48Å; V432-T434 PolarHBondContact O-N 2.82Å; V432-I437 HydrophobicContact CG2-CD1 4.41Å; V432-I437 HydrophobicContact CG2-CG1 3.7Å; V432-F450 HydrophobicContact CG1-CD1 3.73Å; V432-F450 HydrophobicContact CG1-CE1 4.27Å | ||
| 433 | S | 90.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -61.9 | 110.5 | -179.2 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | D116 D401 G402 A435 L436 I437 | D116-S433 WeakPolarHBondContact OD2-CA 3.38Å; D116-S433 PolarHBondContact OD2-OG 2.95Å; D401-S433 PolarHBondContact O-N 2.83Å; G402-S433 WeakPolarHBondContact O-CB 3.26Å; S433-A435 VanDerWaalsContact C-N 3.29Å; S433-A435 PolarHBondContact OG-N 3.48Å; S433-L436 PolarHBondContact OG-N 2.91Å; S433-L436 VanDerWaalsContact OG-N 3.09Å; S433-I437 WeakPolarHBondContact O-CB 3.45Å; S433-I437 WeakPolarHBondContact O-CG1 3.23Å; S433-I437 PolarHBondContact O-N 2.84Å; S433-I437 VanDerWaalsContact O-N 3.08Å | ||
| 434 | T | 92.5 | Very high | 93.8 | Very high | 14 Ų | 14 | 9 Ų | 9 | 9% | 0.086 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -74.7 | -26.1 | 174.5 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | D116 V432 G438 F450 | D116-T434 WeakPolarHBondContact CB-OG1 3.46Å; D116-T434 PolarHBondContact OD2-N 3.32Å; V432-T434 PolarHBondContact O-N 2.82Å; T434-G438 WeakPolarHBondContact O-CA 3.4Å; T434-G438 PolarHBondContact O-N 3.3Å; T434-F450 HydrophobicContact CG2-CE1 3.91Å; T434-F450 HydrophobicContact CG2-CZ 4.07Å |
| 435 | A | 93 | Very high | 93.6 | Very high | 10 Ų | 10 | 11.4 Ų | 11.4 | 8% | 0.083 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.3 | -50.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A115 D116 S433 G439 | A115-A435 HydrophobicContact CB-CB 4.04Å; D116-A435 HydrophobicContact CB-CB 3.91Å; D116-A435 WeakPolarHBondContact OD1-CB 3.04Å; D116-A435 PolarHBondContact OD2-N 3.29Å; S433-A435 VanDerWaalsContact C-N 3.29Å; S433-A435 PolarHBondContact OG-N 3.48Å; A435-G439 VanDerWaalsContact O-CA 3.27Å; A435-G439 WeakPolarHBondContact O-CA 3.27Å; A435-G439 PolarHBondContact O-N 2.83Å |
| 436 | L | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66 | -55.3 | 177.8 | -177.2 | 75.5 | 0 | 0 | 0 | 111.3 | F398 T400 V404 A407 V410 S433 G438 G439 V440 | F398-L436 HydrophobicContact CE1-CD2 4.06Å; F398-L436 HydrophobicContact CE1-CG 4.5Å; F398-L436 HydrophobicContact CZ-CD2 4.39Å; T400-L436 HydrophobicContact CG2-CD2 4.1Å; V404-L436 HydrophobicContact CG2-CD1 3.59Å; V404-L436 HydrophobicContact CG2-CD2 3.5Å; V404-L436 VanDerWaalsContact CG2-CD2 3.5Å; V404-L436 HydrophobicContact CG2-CG 4.04Å; A407-L436 HydrophobicContact CB-CB 4.18Å; A407-L436 HydrophobicContact CB-CD1 3.69Å; V410-L436 HydrophobicContact CB-CD1 4.03Å; V410-L436 HydrophobicContact CG1-CD1 4.01Å; V410-L436 HydrophobicContact CG2-CD1 4.44Å; S433-L436 PolarHBondContact OG-N 2.91Å; S433-L436 VanDerWaalsContact OG-N 3.09Å; L436-G438 PolarHBondContact O-N 2.81Å; L436-G439 PolarHBondContact O-N 3.1Å; L436-V440 HydrophobicContact CD1-CG2 3.99Å; L436-V440 HydrophobicContact CG-CG2 4.34Å; L436-V440 WeakPolarHBondContact O-CB 3.34Å; L436-V440 WeakPolarHBondContact O-CG2 3.43Å; L436-V440 PolarHBondContact O-N 3.49Å |
| 437 | I | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | -173 | -66.1 | -60.6 | 0 | 0 | 0 | 110.6 | T400 T425 V432 S433 A441 A448 F450 | T400-I437 HydrophobicContact CG2-CD1 3.48Å; T400-I437 VanDerWaalsContact CG2-CD1 3.48Å; T425-I437 VanDerWaalsContact OG1-CG2 3.31Å; T425-I437 WeakPolarHBondContact OG1-CG2 3.32Å; T425-I437 PolarHBondContact OG1-O 3.5Å; V432-I437 HydrophobicContact CG2-CD1 4.41Å; V432-I437 HydrophobicContact CG2-CG1 3.7Å; S433-I437 WeakPolarHBondContact O-CB 3.45Å; S433-I437 WeakPolarHBondContact O-CG1 3.23Å; S433-I437 PolarHBondContact O-N 2.84Å; S433-I437 VanDerWaalsContact O-N 3.08Å; I437-A441 PolarHBondContact O-N 2.82Å; I437-A448 HydrophobicContact CG2-CB 3.92Å; I437-F450 HydrophobicContact CB-CE1 3.75Å; I437-F450 HydrophobicContact CB-CZ 4.02Å; I437-F450 HydrophobicContact CG1-CE1 4.24Å; I437-F450 HydrophobicContact CG2-CD1 4.18Å; I437-F450 HydrophobicContact CG2-CE1 3.51Å; I437-F450 HydrophobicContact CG2-CE2 4.35Å; I437-F450 HydrophobicContact CG2-CZ 3.61Å |
| 438 | G | 95 | Very high | 93.1 | Very high | 20 Ų | 20 | 13.2 Ų | 13.2 | 21% | 0.206 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.1 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T434 L436 R442 | T434-G438 WeakPolarHBondContact O-CA 3.4Å; T434-G438 PolarHBondContact O-N 3.3Å; L436-G438 PolarHBondContact O-N 2.81Å; G438-R442 VanDerWaalsContact O-CB 3.22Å; G438-R442 WeakPolarHBondContact O-CB 3.19Å; G438-R442 PolarHBondContact O-N 3.04Å |
| 439 | G | 95.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A435 L436 R442 A443 | A435-G439 VanDerWaalsContact O-CA 3.27Å; A435-G439 WeakPolarHBondContact O-CA 3.27Å; A435-G439 PolarHBondContact O-N 2.83Å; L436-G439 PolarHBondContact O-N 3.1Å; G439-R442 PolarHBondContact O-N 3.47Å; G439-A443 VanDerWaalsContact O-CB 3.27Å; G439-A443 WeakPolarHBondContact O-CB 3.47Å; G439-A443 PolarHBondContact O-N 3.09Å |
| 440 | V | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 179.2 | 167.3 | 0 | 0 | 0 | 0 | 111.3 | F398 V410 I411 V414 V423 T425 L436 G444 | F398-V440 HydrophobicContact CD1-CG1 4.2Å; V410-V440 HydrophobicContact CG1-CG2 3.74Å; I411-V440 HydrophobicContact CG1-CG2 4.16Å; V414-V440 HydrophobicContact CG2-CG1 4.09Å; V423-V440 HydrophobicContact CB-CG1 4.34Å; V423-V440 HydrophobicContact CG1-CG1 3.57Å; T425-V440 HydrophobicContact CG2-CB 3.78Å; T425-V440 HydrophobicContact CG2-CG1 3.48Å; T425-V440 VanDerWaalsContact CG2-CG1 3.48Å; L436-V440 HydrophobicContact CD1-CG2 3.99Å; L436-V440 HydrophobicContact CG-CG2 4.34Å; L436-V440 WeakPolarHBondContact O-CB 3.34Å; L436-V440 WeakPolarHBondContact O-CG2 3.43Å; L436-V440 PolarHBondContact O-N 3.49Å; V440-G444 PolarHBondContact O-N 3.49Å |
| 441 | A | 96.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 3% | 0.025 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T425 I437 G444 N445 G446 A448 | T425-A441 HydrophobicContact CG2-CB 4.19Å; T425-A441 WeakPolarHBondContact OG1-CB 3.15Å; I437-A441 PolarHBondContact O-N 2.82Å; A441-G444 CarbonylContact O-C 3.39Å; A441-G444 PolarHBondContact O-N 2.75Å; A441-N445 PolarHBondContact O-N 2.75Å; A441-G446 PolarHBondContact O-N 3.29Å; A441-A448 HydrophobicContact CB-CB 3.9Å |
| 442 | R | 94.6 | Very high | 94.1 | Very high | 91 Ų | 91 | 13.6 Ų | 13.6 | 34% | 0.343 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -62.4 | -51.2 | 178.1 | 179.8 | -175.7 | 65.5 | -113 | 0.8 | 111.6 | G438 G439 G444 N445 D579 | G438-R442 VanDerWaalsContact O-CB 3.22Å; G438-R442 WeakPolarHBondContact O-CB 3.19Å; G438-R442 PolarHBondContact O-N 3.04Å; G439-R442 PolarHBondContact O-N 3.47Å; R442-G444 PolarHBondContact O-N 2.85Å; R442-N445 PolarHBondContact O-N 2.86Å; R442-D579 IonicContact CZ-OD1 2.88Å; R442-D579 IonicContact CZ-OD2 3.82Å; R442-D579 IonicContact NE-OD1 2.84Å; R442-D579 IonicContact NE-OD2 2.71Å; R442-D579 PolarHBondContact NE-OD2 2.9Å; R442-D579 IonicContact NH2-OD1 3.13Å; R442-D579 PolarHBondContact NH2-OD1 2.91Å; R442-D579 IonicContact NH2-OD2 3.15Å; R442-D579 PolarHBondContact NH2-OD2 3.48Å |
| 443 | A | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.1 | -32.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I411 V414 R415 V418 G439 | I411-A443 HydrophobicContact CG2-CB 3.86Å; V414-A443 HydrophobicContact CB-CB 4.44Å; V414-A443 HydrophobicContact CG1-CB 4.13Å; R415-A443 HydrophobicContact CB-CB 4.05Å; V418-A443 WeakPolarHBondContact CG2-O 3.27Å; G439-A443 VanDerWaalsContact O-CB 3.27Å; G439-A443 WeakPolarHBondContact O-CB 3.47Å; G439-A443 PolarHBondContact O-N 3.09Å |
| 444 | G | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 11.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | R422 V423 V440 A441 R442 G446 | R422-G444 CarbonylContact C-O 3.51Å; R422-G444 VanDerWaalsContact CA-O 3.24Å; R422-G444 WeakPolarHBondContact CA-O 3.33Å; V423-G444 PolarHBondContact N-O 2.95Å; V440-G444 PolarHBondContact O-N 3.49Å; A441-G444 CarbonylContact O-C 3.39Å; A441-G444 PolarHBondContact O-N 2.75Å; R442-G444 PolarHBondContact O-N 2.85Å; G444-G446 PolarHBondContact O-N 2.82Å; G444-G446 VanDerWaalsContact O-N 3.1Å |
| 445 | N | 93.6 | Very high | 93.5 | Very high | 51 Ų | 51 | 19.7 Ų | 19.7 | 27% | 0.273 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.6 | 29.3 | 178.7 | -83.4 | -10.2 | 0 | 0 | 0 | 113.7 | V418 R422 A441 R442 P505 | V418-N445 HydrophobicContact CG2-CB 3.89Å; V418-N445 VanDerWaalsContact CG2-ND2 3.32Å; V418-N445 WeakPolarHBondContact CG2-ND2 3.47Å; R422-N445 WeakPolarHBondContact CD-O 3.49Å; R422-N445 HydrophobicContact CG-CB 4.46Å; A441-N445 PolarHBondContact O-N 2.75Å; R442-N445 PolarHBondContact O-N 2.86Å; N445-P505 HydrophobicContact CB-CG 3.82Å |
| 446 | G | 94.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 20.8 Ų | 20.8 | 13% | 0.134 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -154.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V423 A441 G444 | V423-G446 VanDerWaalsContact O-CA 3.29Å; V423-G446 WeakPolarHBondContact O-CA 3.22Å; A441-G446 PolarHBondContact O-N 3.29Å; G444-G446 PolarHBondContact O-N 2.82Å; G444-G446 VanDerWaalsContact O-N 3.1Å |
| 447 | T | 94 | Very high | 93.2 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 149.8 | -179.7 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | F424 T425 F507 R510 | F424-T447 WeakPolarHBondContact CA-O 3.42Å; F424-T447 VanDerWaalsContact CD1-N 3.29Å; F424-T447 WeakPolarHBondContact CD1-OG1 3.38Å; T425-T447 PolarHBondContact N-O 2.94Å; T447-F507 HydrophobicContact CG2-CD1 4.22Å; T447-F507 HydrophobicContact CG2-CD2 3.57Å; T447-F507 HydrophobicContact CG2-CE1 4.23Å; T447-F507 HydrophobicContact CG2-CE2 3.58Å; T447-F507 HydrophobicContact CG2-CG 3.91Å; T447-F507 HydrophobicContact CG2-CZ 3.92Å; T447-R510 VanDerWaalsContact CB-CZ 3.41Å; T447-R510 PolarHBondContact OG1-NH2 3.28Å |
| 448 | A | 95.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 21.4 Ų | 21.4 | 12% | 0.124 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 147.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T425 I437 A441 F450 R510 | T425-A448 WeakPolarHBondContact OG1-CA 3.49Å; T425-A448 WeakPolarHBondContact OG1-CB 3.27Å; I437-A448 HydrophobicContact CG2-CB 3.92Å; A441-A448 HydrophobicContact CB-CB 3.9Å; A448-F450 HydrophobicContact CB-CE2 4.34Å; A448-R510 PolarHBondContact O-NH1 3.49Å; A448-R510 PolarHBondContact O-NH2 3.47Å; A448-R510 VanDerWaalsContact O-NH2 3.1Å |
| 449 | E | 95.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.019 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 154.1 | 168 | -72.9 | -67.7 | 174.9 | 0 | 0 | 108.9 | T425 I426 G427 A460 R463 T464 R510 | T425-E449 PolarHBondContact O-N 3.28Å; I426-E449 CarbonylContact C-O 3.56Å; I426-E449 WeakPolarHBondContact CA-O 3.22Å; I426-E449 HydrophobicContact CG1-CB 4.32Å; G427-E449 PolarHBondContact N-O 3.44Å; E449-A460 HydrophobicContact CB-CB 3.96Å; E449-A460 HydrophobicContact CG-CB 4.27Å; E449-R463 VanDerWaalsContact CD-CZ 3.47Å; E449-R463 WeakPolarHBondContact OE1-CB 3.32Å; E449-R463 IonicContact OE1-CZ 2.65Å; E449-R463 VanDerWaalsContact OE1-CZ 3.24Å; E449-R463 IonicContact OE1-NE 2.78Å; E449-R463 IonicContact OE1-NH1 2.81Å; E449-R463 PolarHBondContact OE1-NH1 2.94Å; E449-R463 IonicContact OE2-CZ 3.24Å; E449-R463 IonicContact OE2-NH1 2.71Å; E449-R463 PolarHBondContact OE2-NH1 3.24Å; E449-R463 IonicContact OE2-NH2 3.27Å; E449-R463 PolarHBondContact OE2-NH2 3.03Å; E449-T464 VanDerWaalsContact CG-OG1 3.22Å; E449-T464 WeakPolarHBondContact CG-OG1 3.36Å; E449-R510 IonicContact OE1-CZ 2.72Å; E449-R510 IonicContact OE1-NE 3.4Å; E449-R510 IonicContact OE1-NH2 3.37Å; E449-R510 PolarHBondContact OE1-NH2 3.38Å |
| 450 | F | 94.4 | Very high | 92.4 | Very high | 26 Ų | 26 | 21 Ų | 21 | 11% | 0.114 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 132.6 | 178.3 | -61.6 | -88.1 | 0 | 0 | 0 | 109.7 | G427 V432 T434 I437 A448 R452 | G427-F450 CarbonylContact O-C 3.55Å; G427-F450 WeakPolarHBondContact O-CA 3.27Å; V432-F450 HydrophobicContact CG1-CD1 3.73Å; V432-F450 HydrophobicContact CG1-CE1 4.27Å; T434-F450 HydrophobicContact CG2-CE1 3.91Å; T434-F450 HydrophobicContact CG2-CZ 4.07Å; I437-F450 HydrophobicContact CB-CE1 3.75Å; I437-F450 HydrophobicContact CB-CZ 4.02Å; I437-F450 HydrophobicContact CG1-CE1 4.24Å; I437-F450 HydrophobicContact CG2-CD1 4.18Å; I437-F450 HydrophobicContact CG2-CE1 3.51Å; I437-F450 HydrophobicContact CG2-CE2 4.35Å; I437-F450 HydrophobicContact CG2-CZ 3.61Å; A448-F450 HydrophobicContact CB-CE2 4.34Å; F450-R452 VanDerWaalsContact CB-NH1 3.3Å |
| 451 | V | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 101.8 | 176.9 | -178 | 0 | 0 | 0 | 0 | 108.2 | Y314 I426 G427 L428 G429 D453 Q456 L457 A460 | Y314-V451 HydrophobicContact CD2-CG1 4.26Å; Y314-V451 HydrophobicContact CG-CG1 4.46Å; I426-V451 HydrophobicContact CG2-CG2 3.85Å; G427-V451 PolarHBondContact O-N 3.19Å; L428-V451 HydrophobicContact CD2-CB 3.91Å; L428-V451 HydrophobicContact CD2-CG2 4.16Å; G429-V451 PolarHBondContact N-O 2.87Å; V451-D453 WeakPolarHBondContact CG1-O 3.35Å; V451-Q456 HydrophobicContact CG1-CB 4.44Å; V451-L457 HydrophobicContact CG1-CB 3.84Å; V451-L457 HydrophobicContact CG1-CD1 3.97Å; V451-L457 HydrophobicContact CG2-CD1 4.12Å; V451-A460 HydrophobicContact CG2-CB 3.59Å |
| 452 | R | 88.3 | Confident | 92.1 | Very high | 22 Ų | 22 | 21 Ų | 21 | 8% | 0.083 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -99.5 | -20.8 | 179.2 | -66.3 | -174 | -174.2 | 67.3 | 3.5 | 113 | D243 Q430 F450 | D243-R452 IonicContact OD2-CZ 3.38Å; D243-R452 IonicContact OD2-NE 3.99Å; D243-R452 PolarHBondContact OD2-NE 2.86Å; D243-R452 IonicContact OD2-NH2 2.96Å; Q430-R452 PolarHBondContact NE2-O 3.37Å; F450-R452 VanDerWaalsContact CB-NH1 3.3Å |
| 453 | D | 86.7 | Confident | 91.8 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -139.4 | 159.8 | 178.3 | 68.6 | 69.4 | 0 | 0 | 0 | 111.1 | V451 S455 Q456 | V451-D453 WeakPolarHBondContact CG1-O 3.35Å; D453-S455 PolarHBondContact O-N 3Å; D453-S455 WeakPolarHBondContact OD1-CA 3.47Å; D453-S455 VanDerWaalsContact OD1-CB 3.28Å; D453-S455 WeakPolarHBondContact OD1-CB 3.29Å; D453-S455 PolarHBondContact OD1-N 3.31Å; D453-S455 PolarHBondContact OD1-OG 2.86Å; D453-Q456 PolarHBondContact O-N 2.78Å; D453-Q456 PolarHBondContact OD1-N 3.38Å; D453-Q456 WeakPolarHBondContact OD2-CG 3.43Å; D453-Q456 PolarHBondContact OD2-NE2 3.3Å |
| 454 | P | 86.6 | Confident | 91.8 | Very high | 72 Ų | 72 | 19.9 Ų | 19.9 | 47% | 0.468 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.7 | -28 | -178.3 | -22 | 31.4 | 0 | 0 | 0 | 114.1 | Y314 Q456 L457 | Y314-P454 HydrophobicContact CE1-CB 4.14Å; Y314-P454 HydrophobicContact CE1-CG 3.94Å; Y314-P454 VanDerWaalsContact OH-CD 3.26Å; Y314-P454 WeakPolarHBondContact OH-CD 3.36Å; Y314-P454 WeakPolarHBondContact OH-CG 3.38Å; P454-Q456 VanDerWaalsContact C-N 3.32Å; P454-Q456 PolarHBondContact O-N 3.3Å; P454-L457 WeakPolarHBondContact O-CB 3.32Å; P454-L457 PolarHBondContact O-N 3.29Å |
| 455 | S | 85.8 | Confident | 91.7 | Very high | 68 Ų | 68 | 19.9 Ų | 19.9 | 48% | 0.476 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -73.7 | -24.7 | -177.5 | 78.9 | 0 | 0 | 0 | 0 | 112.6 | D453 | D453-S455 PolarHBondContact O-N 3Å; D453-S455 WeakPolarHBondContact OD1-CA 3.47Å; D453-S455 VanDerWaalsContact OD1-CB 3.28Å; D453-S455 WeakPolarHBondContact OD1-CB 3.29Å; D453-S455 PolarHBondContact OD1-N 3.31Å; D453-S455 PolarHBondContact OD1-OG 2.86Å |
| 456 | Q | 89.4 | Confident | 91.4 | Very high | 34 Ų | 34 | 19.4 Ų | 19.4 | 16% | 0.159 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -77.7 | -25.4 | 176.2 | -69.4 | 172.7 | -4.6 | 0 | 0 | 113 | V451 D453 P454 Q458 S459 A460 | V451-Q456 HydrophobicContact CG1-CB 4.44Å; D453-Q456 PolarHBondContact O-N 2.78Å; D453-Q456 PolarHBondContact OD1-N 3.38Å; D453-Q456 WeakPolarHBondContact OD2-CG 3.43Å; D453-Q456 PolarHBondContact OD2-NE2 3.3Å; P454-Q456 VanDerWaalsContact C-N 3.32Å; P454-Q456 PolarHBondContact O-N 3.3Å; Q456-Q458 PolarHBondContact O-N 2.81Å; Q456-S459 PolarHBondContact O-N 2.81Å; Q456-S459 PolarHBondContact O-OG 3.49Å; Q456-A460 WeakPolarHBondContact O-CB 3.4Å; Q456-A460 PolarHBondContact O-N 2.88Å |
| 457 | L | 92 | Very high | 91.2 | Very high | 10 Ų | 10 | 19.1 Ų | 19.1 | 5% | 0.052 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53 | -57.4 | -166.6 | 178.5 | 60 | 0 | 0 | 0 | 113.4 | Y314 T317 S318 V451 P454 S459 A460 V461 | Y314-L457 HydrophobicContact CD1-CD2 3.9Å; Y314-L457 HydrophobicContact CG-CD1 4.5Å; Y314-L457 HydrophobicContact CG-CD2 4.46Å; T317-L457 HydrophobicContact CG2-CD2 3.7Å; S318-L457 VanDerWaalsContact OG-CD1 3.3Å; S318-L457 WeakPolarHBondContact OG-CD1 3.4Å; V451-L457 HydrophobicContact CG1-CB 3.84Å; V451-L457 HydrophobicContact CG1-CD1 3.97Å; V451-L457 HydrophobicContact CG2-CD1 4.12Å; P454-L457 WeakPolarHBondContact O-CB 3.32Å; P454-L457 PolarHBondContact O-N 3.29Å; L457-S459 PolarHBondContact O-N 2.71Å; L457-A460 PolarHBondContact O-N 2.9Å; L457-V461 HydrophobicContact CD1-CG2 4.11Å; L457-V461 VanDerWaalsContact O-CG2 3.22Å; L457-V461 WeakPolarHBondContact O-CG2 3.28Å; L457-V461 PolarHBondContact O-N 2.96Å |
| 458 | Q | 90.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | -174.1 | -171.7 | 168.8 | -12.1 | 0 | 0 | 111.6 | L321 Q456 A460 V461 M462 H710 E777 | L321-Q458 HydrophobicContact CD1-CB 4.12Å; L321-Q458 HydrophobicContact CD1-CG 3.81Å; L321-Q458 HydrophobicContact CD2-CG 4.36Å; Q456-Q458 PolarHBondContact O-N 2.81Å; Q458-A460 VanDerWaalsContact C-N 3.29Å; Q458-A460 PolarHBondContact O-N 2.85Å; Q458-V461 PolarHBondContact O-N 2.88Å; Q458-M462 HydrophobicContact CG-CG 4.26Å; Q458-M462 WeakPolarHBondContact O-CB 3.45Å; Q458-M462 VanDerWaalsContact O-CG 3.25Å; Q458-M462 WeakPolarHBondContact O-CG 3.33Å; Q458-M462 PolarHBondContact O-N 2.9Å; Q458-H710 VanDerWaalsContact CD-NE2 3.26Å; Q458-H710 PolarHBondContact NE2-CD2 3.01Å; Q458-H710 PolarHBondContact NE2-NE2 3.39Å; Q458-H710 PolarHBondContact OE1-CD2 3.21Å; Q458-H710 PolarHBondContact OE1-CE1 2.83Å; Q458-H710 PolarHBondContact OE1-NE2 3.05Å; Q458-E777 HydrophobicContact CB-CB 4.38Å; Q458-E777 HydrophobicContact CB-CG 4.15Å; Q458-E777 HydrophobicContact CG-CB 3.65Å; Q458-E777 HydrophobicContact CG-CG 3.94Å; Q458-E777 PolarHBondContact NE2-O 2.87Å |
| 459 | S | 88.8 | Confident | 90.7 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 10% | 0.098 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.8 | 81.9 | 0 | 0 | 0 | 0 | 111.9 | Q456 L457 R463 | Q456-S459 PolarHBondContact O-N 2.81Å; Q456-S459 PolarHBondContact O-OG 3.49Å; L457-S459 PolarHBondContact O-N 2.71Å; S459-R463 VanDerWaalsContact O-CB 3.31Å; S459-R463 WeakPolarHBondContact O-CB 3.49Å; S459-R463 VanDerWaalsContact O-CG 3.23Å; S459-R463 WeakPolarHBondContact O-CG 3.4Å; S459-R463 PolarHBondContact O-N 3.05Å; S459-R463 VanDerWaalsContact O-N 3.09Å; S459-R463 PolarHBondContact O-NE 2.9Å; S459-R463 PolarHBondContact OG-NH2 2.8Å |
| 460 | A | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.2 | -48.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E449 V451 Q456 L457 Q458 M462 R463 T464 | E449-A460 HydrophobicContact CB-CB 3.96Å; E449-A460 HydrophobicContact CG-CB 4.27Å; V451-A460 HydrophobicContact CG2-CB 3.59Å; Q456-A460 WeakPolarHBondContact O-CB 3.4Å; Q456-A460 PolarHBondContact O-N 2.88Å; L457-A460 PolarHBondContact O-N 2.9Å; Q458-A460 VanDerWaalsContact C-N 3.29Å; Q458-A460 PolarHBondContact O-N 2.85Å; A460-M462 PolarHBondContact O-N 2.86Å; A460-R463 PolarHBondContact O-N 3.15Å; A460-T464 WeakPolarHBondContact O-CB 3.45Å; A460-T464 PolarHBondContact O-N 3.09Å; A460-T464 PolarHBondContact O-OG1 2.9Å; A460-T464 VanDerWaalsContact O-OG1 3.13Å |
| 461 | V | 94.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.7 | -47.5 | 179.4 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | S318 L321 F322 I426 L457 Q458 T464 L465 | S318-V461 VanDerWaalsContact OG-CG2 3.3Å; S318-V461 WeakPolarHBondContact OG-CG2 3.34Å; L321-V461 HydrophobicContact CB-CG1 3.67Å; L321-V461 HydrophobicContact CD1-CB 4.26Å; L321-V461 HydrophobicContact CD1-CG1 4.09Å; L321-V461 HydrophobicContact CD1-CG2 4.49Å; F322-V461 HydrophobicContact CD1-CG1 3.84Å; F322-V461 HydrophobicContact CD2-CG1 4.32Å; F322-V461 HydrophobicContact CE1-CG1 3.63Å; F322-V461 WeakPolarHBondContact CE1-O 3.39Å; F322-V461 HydrophobicContact CE2-CG1 4.12Å; F322-V461 HydrophobicContact CG-CG1 4.17Å; F322-V461 HydrophobicContact CZ-CB 4.38Å; F322-V461 HydrophobicContact CZ-CG1 3.78Å; F322-V461 HydrophobicContact CZ-CG2 4.46Å; I426-V461 HydrophobicContact CD1-CG2 4.16Å; L457-V461 HydrophobicContact CD1-CG2 4.11Å; L457-V461 VanDerWaalsContact O-CG2 3.22Å; L457-V461 WeakPolarHBondContact O-CG2 3.28Å; L457-V461 PolarHBondContact O-N 2.96Å; Q458-V461 PolarHBondContact O-N 2.88Å; V461-T464 PolarHBondContact O-N 2.93Å; V461-L465 PolarHBondContact O-N 2.94Å |
| 462 | M | 91.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.1 | -34.5 | -177.2 | -62.3 | -61.3 | -80.7 | 0 | 0 | 112.4 | Q458 A460 S466 N776 E777 L780 I781 | Q458-M462 HydrophobicContact CG-CG 4.26Å; Q458-M462 WeakPolarHBondContact O-CB 3.45Å; Q458-M462 VanDerWaalsContact O-CG 3.25Å; Q458-M462 WeakPolarHBondContact O-CG 3.33Å; Q458-M462 PolarHBondContact O-N 2.9Å; A460-M462 PolarHBondContact O-N 2.86Å; M462-S466 VanDerWaalsContact O-CB 3.24Å; M462-S466 WeakPolarHBondContact O-CB 2.93Å; M462-S466 PolarHBondContact O-N 3.48Å; M462-S466 PolarHBondContact O-OG 2.92Å; M462-N776 WeakPolarHBondContact CB-O 3.35Å; M462-E777 WeakPolarHBondContact CE-O 3.47Å; M462-E777 WeakPolarHBondContact CG-O 3.43Å; M462-L780 HydrophobicContact CE-CB 3.62Å; M462-L780 HydrophobicContact CE-CD1 3.88Å; M462-L780 HydrophobicContact CE-CG 3.84Å; M462-L780 HydrophobicContact SD-CD1 4.41Å; M462-I781 HydrophobicContact CE-CG1 4.45Å |
| 463 | R | 89.6 | Confident | 88.2 | Confident | 69 Ų | 69 | 21.9 Ų | 21.9 | 26% | 0.26 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 171.3 | -80 | 179.9 | -73.8 | 142 | -3.9 | 111.5 | E449 S459 A460 S466 A467 | E449-R463 VanDerWaalsContact CD-CZ 3.47Å; E449-R463 WeakPolarHBondContact OE1-CB 3.32Å; E449-R463 IonicContact OE1-CZ 2.65Å; E449-R463 VanDerWaalsContact OE1-CZ 3.24Å; E449-R463 IonicContact OE1-NE 2.78Å; E449-R463 IonicContact OE1-NH1 2.81Å; E449-R463 PolarHBondContact OE1-NH1 2.94Å; E449-R463 IonicContact OE2-CZ 3.24Å; E449-R463 IonicContact OE2-NH1 2.71Å; E449-R463 PolarHBondContact OE2-NH1 3.24Å; E449-R463 IonicContact OE2-NH2 3.27Å; E449-R463 PolarHBondContact OE2-NH2 3.03Å; S459-R463 VanDerWaalsContact O-CB 3.31Å; S459-R463 WeakPolarHBondContact O-CB 3.49Å; S459-R463 VanDerWaalsContact O-CG 3.23Å; S459-R463 WeakPolarHBondContact O-CG 3.4Å; S459-R463 PolarHBondContact O-N 3.05Å; S459-R463 VanDerWaalsContact O-N 3.09Å; S459-R463 PolarHBondContact O-NE 2.9Å; S459-R463 PolarHBondContact OG-NH2 2.8Å; A460-R463 PolarHBondContact O-N 3.15Å; R463-S466 PolarHBondContact O-N 2.88Å; R463-A467 WeakPolarHBondContact O-CB 3.45Å; R463-A467 PolarHBondContact O-N 3.37Å |
| 464 | T | 94.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 176.4 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | F322 I397 F424 I426 E449 A460 V461 A467 A468 | F322-T464 HydrophobicContact CE1-CG2 4.43Å; F322-T464 HydrophobicContact CZ-CG2 4.3Å; I397-T464 HydrophobicContact CD1-CG2 4.2Å; I397-T464 HydrophobicContact CG1-CG2 4.23Å; I397-T464 HydrophobicContact CG2-CG2 3.82Å; F424-T464 HydrophobicContact CB-CG2 3.78Å; F424-T464 HydrophobicContact CG-CG2 4.36Å; I426-T464 HydrophobicContact CD1-CG2 4.2Å; I426-T464 HydrophobicContact CG1-CG2 4.27Å; E449-T464 VanDerWaalsContact CG-OG1 3.22Å; E449-T464 WeakPolarHBondContact CG-OG1 3.36Å; A460-T464 WeakPolarHBondContact O-CB 3.45Å; A460-T464 PolarHBondContact O-N 3.09Å; A460-T464 PolarHBondContact O-OG1 2.9Å; A460-T464 VanDerWaalsContact O-OG1 3.13Å; V461-T464 PolarHBondContact O-N 2.93Å; T464-A467 PolarHBondContact O-N 3.1Å; T464-A468 WeakPolarHBondContact O-CB 3.35Å; T464-A468 PolarHBondContact O-N 3.2Å |
| 465 | L | 93.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 178.9 | -174.3 | 57.6 | 0 | 0 | 0 | 112 | F297 F322 L326 V461 A467 A468 L469 L780 | F297-L465 HydrophobicContact CE1-CD1 3.94Å; F297-L465 HydrophobicContact CZ-CD1 4.31Å; F322-L465 HydrophobicContact CD1-CB 3.92Å; F322-L465 HydrophobicContact CD1-CD1 4.25Å; F322-L465 HydrophobicContact CD1-CD2 4.18Å; F322-L465 HydrophobicContact CD1-CG 4.33Å; F322-L465 HydrophobicContact CE1-CB 3.87Å; L326-L465 HydrophobicContact CD2-CD1 4.45Å; V461-L465 PolarHBondContact O-N 2.94Å; L465-A467 VanDerWaalsContact C-N 3.33Å; L465-A467 PolarHBondContact O-N 2.82Å; L465-A468 PolarHBondContact O-N 3.28Å; L465-L469 HydrophobicContact CD1-CD1 4.09Å; L465-L469 HydrophobicContact CD1-CG 4.19Å; L465-L469 HydrophobicContact CD2-CD1 4.41Å; L465-L469 HydrophobicContact CG-CD1 3.81Å; L465-L469 HydrophobicContact CG-CG 4.36Å; L465-L469 WeakPolarHBondContact O-CB 3.36Å; L465-L469 WeakPolarHBondContact O-CG 3.43Å; L465-L469 PolarHBondContact O-N 3.15Å; L465-L780 HydrophobicContact CB-CD1 4.03Å; L465-L780 HydrophobicContact CD2-CD1 3.66Å; L465-L780 HydrophobicContact CG-CD1 3.81Å |
| 466 | S | 88.6 | Confident | 87.8 | Confident | 41 Ų | 41 | 27.8 Ų | 27.8 | 29% | 0.287 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 177.1 | -61 | 0 | 0 | 0 | 0 | 111.4 | M462 R463 L469 Q470 | M462-S466 VanDerWaalsContact O-CB 3.24Å; M462-S466 WeakPolarHBondContact O-CB 2.93Å; M462-S466 PolarHBondContact O-N 3.48Å; M462-S466 PolarHBondContact O-OG 2.92Å; R463-S466 PolarHBondContact O-N 2.88Å; S466-L469 PolarHBondContact O-N 2.73Å; S466-Q470 PolarHBondContact O-N 3.39Å; S466-Q470 VanDerWaalsContact O-N 3.13Å |
| 467 | A | 89.5 | Confident | 87.8 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F424 R463 T464 L465 L469 Q470 F507 | F424-A467 HydrophobicContact CD1-CB 4.3Å; F424-A467 HydrophobicContact CE1-CB 3.76Å; R463-A467 WeakPolarHBondContact O-CB 3.45Å; R463-A467 PolarHBondContact O-N 3.37Å; T464-A467 PolarHBondContact O-N 3.1Å; L465-A467 VanDerWaalsContact C-N 3.33Å; L465-A467 PolarHBondContact O-N 2.82Å; A467-L469 PolarHBondContact O-N 2.92Å; A467-Q470 WeakPolarHBondContact O-CB 3.09Å; A467-Q470 PolarHBondContact O-N 3Å; A467-F507 HydrophobicContact CB-CD1 3.63Å; A467-F507 HydrophobicContact CB-CE1 3.89Å |
| 468 | A | 91.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.3 | -34 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F297 Q395 I397 R422 F424 T464 L465 Q470 | F297-A468 HydrophobicContact CE1-CB 3.94Å; Q395-A468 HydrophobicContact CB-CB 4.27Å; Q395-A468 HydrophobicContact CG-CB 4.37Å; Q395-A468 PolarHBondContact OE1-O 2.96Å; I397-A468 HydrophobicContact CD1-CB 4.44Å; R422-A468 PolarHBondContact NH2-O 3.46Å; F424-A468 HydrophobicContact CD2-CB 3.96Å; F424-A468 HydrophobicContact CE1-CB 4.47Å; F424-A468 HydrophobicContact CE2-CB 3.66Å; F424-A468 VanDerWaalsContact CZ-CA 3.48Å; F424-A468 HydrophobicContact CZ-CB 3.95Å; T464-A468 WeakPolarHBondContact O-CB 3.35Å; T464-A468 PolarHBondContact O-N 3.2Å; L465-A468 PolarHBondContact O-N 3.28Å; A468-Q470 VanDerWaalsContact C-N 3.31Å |
| 469 | L | 88.5 | Confident | 88 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80.2 | -9.7 | 176.5 | -74.8 | 169.9 | 0 | 0 | 0 | 114 | Y295 F297 P327 L465 S466 A467 L780 | Y295-L469 HydrophobicContact CD2-CD2 4.39Å; Y295-L469 PolarHBondContact OH-O 3.1Å; Y295-L469 VanDerWaalsContact OH-O 3.06Å; F297-L469 HydrophobicContact CE2-CD2 4.11Å; F297-L469 HydrophobicContact CZ-CD2 3.53Å; F297-L469 HydrophobicContact CZ-CG 4.04Å; P327-L469 HydrophobicContact CG-CD1 4.36Å; P327-L469 HydrophobicContact CG-CD2 3.32Å; L465-L469 HydrophobicContact CD1-CD1 4.09Å; L465-L469 HydrophobicContact CD1-CG 4.19Å; L465-L469 HydrophobicContact CD2-CD1 4.41Å; L465-L469 HydrophobicContact CG-CD1 3.81Å; L465-L469 HydrophobicContact CG-CG 4.36Å; L465-L469 WeakPolarHBondContact O-CB 3.36Å; L465-L469 WeakPolarHBondContact O-CG 3.43Å; L465-L469 PolarHBondContact O-N 3.15Å; S466-L469 PolarHBondContact O-N 2.73Å; A467-L469 PolarHBondContact O-N 2.92Å; L469-L780 HydrophobicContact CD1-CD1 4.27Å; L469-L780 HydrophobicContact CD1-CD2 4.41Å |
| 470 | Q | 84.3 | Confident | 88.3 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -66.2 | 134.3 | -178.7 | -169.2 | -165 | -27.6 | 0 | 0 | 111.1 | R422 S466 A467 A468 V506 | R422-Q470 PolarHBondContact NH2-O 2.82Å; S466-Q470 PolarHBondContact O-N 3.39Å; S466-Q470 VanDerWaalsContact O-N 3.13Å; A467-Q470 WeakPolarHBondContact O-CB 3.09Å; A467-Q470 PolarHBondContact O-N 3Å; A468-Q470 VanDerWaalsContact C-N 3.31Å; Q470-V506 PolarHBondContact NE2-O 3.23Å |
| 471 | P | 79.7 | Confident | 88.4 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 143.1 | 166.7 | -27 | 36 | 0 | 0 | 0 | 112.2 | V287 M293 V536 L537 | V287-P471 WeakPolarHBondContact O-CD 3.35Å; M293-P471 HydrophobicContact CE-CB 3.86Å; M293-P471 HydrophobicContact SD-CB 3.77Å; M293-P471 HydrophobicContact SD-CG 4.05Å; P471-V536 HydrophobicContact CB-CG1 4.23Å; P471-L537 HydrophobicContact CB-CD1 4.46Å; P471-L537 HydrophobicContact CB-CD2 3.93Å; P471-L537 HydrophobicContact CB-CG 4Å; P471-L537 HydrophobicContact CG-CD1 4.01Å; P471-L537 HydrophobicContact CG-CD2 4.13Å; P471-L537 HydrophobicContact CG-CG 4.1Å |
| 472 | R | 76.7 | Confident | 88.5 | Confident | 93 Ų | 93 | 41.5 Ų | 41.5 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -67.5 | 139 | 171.5 | -70.6 | -175 | 174.9 | -179.4 | -2.2 | 109.7 | ||
| 473 | A | 79.6 | Confident | 88.6 | Confident | 18 Ų | 18 | 43 Ų | 43 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 132 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | I476 C534 S535 V536 | A473-I476 HydrophobicContact CB-CD1 3.95Å; A473-I476 HydrophobicContact CB-CG1 4.01Å; A473-C534 HydrophobicContact CB-CB 4.13Å; A473-S535 CarbonylContact C-O 3.57Å; A473-S535 VanDerWaalsContact CA-O 3.32Å; A473-S535 WeakPolarHBondContact CA-O 3.2Å; A473-V536 HydrophobicContact CB-CG2 4.03Å |
| 474 | D | 78.3 | Confident | 88.8 | Confident | 92 Ų | 92 | 40 Ų | 40 | 49% | 0.492 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 164.5 | 175.2 | -59.8 | -46.5 | 0 | 0 | 0 | 110.3 | I476 S535 | D474-I476 PolarHBondContact O-N 2.86Å; D474-S535 PolarHBondContact N-O 2.97Å; D474-S535 PolarHBondContact O-N 2.72Å |
| 475 | N | 84.4 | Confident | 88.7 | Confident | 132 Ų | 132 | 42.5 Ų | 42.5 | 71% | 0.706 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 50.5 | 43.7 | 178.8 | -56.8 | -45.2 | 0 | 0 | 0 | 112.7 | E477 | N475-E477 PolarHBondContact O-N 2.89Å |
| 476 | I | 86.5 | Confident | 88.6 | Confident | 47 Ų | 47 | 45 Ų | 45 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 118.7 | 179.4 | -48.9 | 178 | 0 | 0 | 0 | 108.4 | A473 D474 I503 F532 N533 C534 | A473-I476 HydrophobicContact CB-CD1 3.95Å; A473-I476 HydrophobicContact CB-CG1 4.01Å; D474-I476 PolarHBondContact O-N 2.86Å; I476-I503 HydrophobicContact CB-CG2 4.44Å; I476-I503 HydrophobicContact CG2-CG2 3.58Å; I476-F532 HydrophobicContact CG2-CD2 4.41Å; I476-F532 HydrophobicContact CG2-CE1 4.42Å; I476-F532 HydrophobicContact CG2-CE2 3.36Å; I476-F532 HydrophobicContact CG2-CZ 3.36Å; I476-N533 WeakPolarHBondContact CA-O 3.38Å; I476-C534 HydrophobicContact CG1-CB 4.22Å |
| 477 | E | 90.6 | Very high | 88.5 | Confident | 108 Ų | 108 | 51 Ų | 51 | 51% | 0.505 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144.6 | 177.9 | 60.6 | 177.3 | -171 | 0 | 0 | 110.4 | N475 N533 | N475-E477 PolarHBondContact O-N 2.89Å; E477-N533 HydrophobicContact CG-CB 3.63Å; E477-N533 PolarHBondContact N-O 2.83Å; E477-N533 PolarHBondContact O-N 3.44Å; E477-N533 WeakPolarHBondContact OE1-CB 3.41Å; E477-N533 PolarHBondContact OE1-ND2 3.47Å |
| 478 | M | 91.9 | Very high | 88.4 | Confident | 29 Ų | 29 | 55 Ų | 55 | 14% | 0.143 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.5 | 174.6 | -171.7 | 170.7 | 49.9 | 0 | 0 | 109.1 | W480 V498 I503 Y514 V530 N531 | M478-W480 HydrophobicContact CE-CZ2 3.72Å; M478-W480 HydrophobicContact SD-CZ2 3.77Å; M478-V498 HydrophobicContact CE-CG1 3.42Å; M478-V498 VanDerWaalsContact CE-CG1 3.42Å; M478-I503 HydrophobicContact CB-CD1 4.12Å; M478-Y514 HydrophobicContact CE-CD1 3.42Å; M478-Y514 VanDerWaalsContact CE-CD1 3.42Å; M478-Y514 HydrophobicContact CE-CD2 4.33Å; M478-Y514 HydrophobicContact CE-CE1 4.09Å; M478-Y514 HydrophobicContact CE-CG 3.58Å; M478-Y514 HydrophobicContact SD-CD1 4.11Å; M478-Y514 HydrophobicContact SD-CD2 3.93Å; M478-Y514 HydrophobicContact SD-CE2 4.47Å; M478-Y514 HydrophobicContact SD-CG 3.73Å; M478-V530 HydrophobicContact CG-CG1 3.71Å; M478-V530 HydrophobicContact SD-CG1 4.04Å; M478-N531 CarbonylContact C-O 3.52Å; M478-N531 WeakPolarHBondContact CA-O 3.46Å |
| 479 | D | 93.7 | Very high | 88.1 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 34% | 0.342 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 111.2 | -174.5 | 175.8 | 22.8 | 0 | 0 | 0 | 110.3 | K481 N531 | D479-K481 PolarHBondContact O-N 2.99Å; D479-K481 WeakPolarHBondContact OD2-CE 3.39Å; D479-K481 IonicContact OD2-NZ 2.67Å; D479-N531 HydrophobicContact CB-CB 4.33Å; D479-N531 PolarHBondContact N-O 2.93Å; D479-N531 PolarHBondContact O-N 3.44Å; D479-N531 PolarHBondContact OD2-ND2 3.26Å |
| 480 | W | 95.4 | Very high | 88.2 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 94.3 | -177.1 | -63.9 | 72.6 | 0 | 0 | 0 | 109.8 | L276 V278 M478 L482 V496 V498 V530 | L276-W480 HydrophobicContact CB-CZ3 4.38Å; L276-W480 HydrophobicContact CD2-CE3 4.22Å; L276-W480 HydrophobicContact CD2-CZ3 3.69Å; L276-W480 HydrophobicContact CG-CZ3 4.11Å; V278-W480 HydrophobicContact CB-CH2 4.36Å; V278-W480 HydrophobicContact CG2-CH2 3.79Å; V278-W480 HydrophobicContact CG2-CZ3 4.02Å; M478-W480 HydrophobicContact CE-CZ2 3.72Å; M478-W480 HydrophobicContact SD-CZ2 3.77Å; W480-L482 HydrophobicContact CE3-CD1 4.19Å; W480-L482 PolarHBondContact O-N 3.44Å; W480-V496 HydrophobicContact CB-CB 4.22Å; W480-V496 HydrophobicContact CB-CG2 4Å; W480-V496 HydrophobicContact CD2-CG1 3.9Å; W480-V496 HydrophobicContact CE3-CG1 3.83Å; W480-V496 HydrophobicContact CG-CB 4.37Å; W480-V496 HydrophobicContact CG-CG1 4.21Å; W480-V496 HydrophobicContact CZ3-CG1 4.36Å; W480-V498 HydrophobicContact CD2-CG2 4.48Å; W480-V498 HydrophobicContact CG-CG2 4.43Å; W480-V498 HydrophobicContact CZ2-CG1 4.32Å; W480-V498 HydrophobicContact CZ2-CG2 4.39Å; W480-V498 VanDerWaalsContact NE1-CG2 3.34Å; W480-V530 HydrophobicContact CD2-CG1 4.19Å; W480-V530 HydrophobicContact CD2-CG2 3.78Å; W480-V530 HydrophobicContact CE3-CG2 3.4Å; W480-V530 VanDerWaalsContact CE3-CG2 3.4Å; W480-V530 HydrophobicContact CG-CG2 4.38Å; W480-V530 HydrophobicContact CH2-CG2 4.4Å; W480-V530 HydrophobicContact CZ3-CG2 3.76Å |
| 481 | K | 95.6 | Very high | 88.6 | Confident | 114 Ų | 114 | 71.3 Ų | 71.3 | 50% | 0.496 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 72.6 | 176.2 | -61.7 | -167.6 | -171.7 | -177.9 | 0 | 110.1 | D479 G528 Q529 N531 | D479-K481 PolarHBondContact O-N 2.99Å; D479-K481 WeakPolarHBondContact OD2-CE 3.39Å; D479-K481 IonicContact OD2-NZ 2.67Å; K481-G528 VanDerWaalsContact O-CA 3.27Å; K481-G528 WeakPolarHBondContact O-CA 3.28Å; K481-Q529 CarbonylContact C-O 3.55Å; K481-Q529 WeakPolarHBondContact CA-O 3.36Å; K481-Q529 HydrophobicContact CB-CG 4.39Å; K481-Q529 PolarHBondContact N-O 2.66Å; K481-Q529 PolarHBondContact O-N 3.09Å; K481-N531 WeakPolarHBondContact CE-ND2 3.48Å |
| 482 | L | 95.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139.1 | 177 | -57.4 | -170.1 | 0 | 0 | 0 | 110.9 | L276 W480 I494 V496 F518 I547 | L276-L482 HydrophobicContact CD2-CD1 4.03Å; L276-L482 HydrophobicContact CD2-CD2 4.3Å; W480-L482 HydrophobicContact CE3-CD1 4.19Å; W480-L482 PolarHBondContact O-N 3.44Å; L482-I494 HydrophobicContact CB-CB 3.97Å; L482-I494 HydrophobicContact CB-CD1 4.23Å; L482-I494 PolarHBondContact O-N 2.83Å; L482-V496 HydrophobicContact CD1-CG2 3.77Å; L482-V496 HydrophobicContact CG-CG2 4.25Å; L482-F518 HydrophobicContact CD1-CD1 4.21Å; L482-F518 HydrophobicContact CD1-CE1 4.17Å; L482-I547 HydrophobicContact CD2-CD1 4.37Å; L482-I547 HydrophobicContact CD2-CG1 3.57Å |
| 483 | V | 94.7 | Very high | 90.1 | Very high | 32 Ų | 32 | 77.2 Ų | 77.2 | 19% | 0.194 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.5 | 176.3 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | K492 Q527 | V483-K492 CarbonylContact C-O 3.58Å; V483-K492 WeakPolarHBondContact CA-O 3.29Å; V483-Q527 HydrophobicContact CG2-CB 3.94Å; V483-Q527 PolarHBondContact N-O 2.97Å; V483-Q527 PolarHBondContact O-N 3.4Å |
| 484 | E | 92.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 77.1 Ų | 77.1 | 3% | 0.033 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.9 | 165.2 | 57.4 | 179.7 | -179.4 | 0 | 0 | 108.7 | F486 E491 K492 I494 D521 | E484-F486 VanDerWaalsContact CD-CZ 3.46Å; E484-F486 HydrophobicContact CG-CE2 3.74Å; E484-F486 HydrophobicContact CG-CZ 3.91Å; E484-F486 WeakPolarHBondContact OE1-CZ 3.27Å; E484-E491 WeakPolarHBondContact O-CA 3.32Å; E484-K492 HydrophobicContact CG-CB 3.72Å; E484-K492 HydrophobicContact CG-CG 4.21Å; E484-K492 WeakPolarHBondContact CG-O 3.4Å; E484-K492 PolarHBondContact N-O 3.09Å; E484-K492 PolarHBondContact O-N 3.08Å; E484-K492 WeakPolarHBondContact OE1-CD 3.35Å; E484-K492 WeakPolarHBondContact OE1-CE 2.91Å; E484-K492 WeakPolarHBondContact OE1-CG 3.4Å; E484-K492 IonicContact OE1-NZ 3.85Å; E484-K492 PolarHBondContact OE1-NZ 3.2Å; E484-I494 HydrophobicContact CB-CD1 4Å; E484-I494 HydrophobicContact CB-CG1 4.12Å; E484-I494 HydrophobicContact CG-CG1 4.26Å; E484-D521 PolarHBondContact OE2-N 3.35Å |
| 485 | K | 92 | Very high | 91.5 | Very high | 52 Ų | 52 | 81.1 Ų | 81.1 | 23% | 0.226 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.1 | 178 | -175.4 | 175.1 | -178.1 | 178.7 | 0 | 110.1 | D489 K490 E491 S524 T525 | K485-D489 WeakPolarHBondContact CE-OD1 3.45Å; K485-D489 IonicContact NZ-OD1 2.71Å; K485-D489 PolarHBondContact NZ-OD1 2.9Å; K485-K490 WeakPolarHBondContact CA-O 3.42Å; K485-E491 HydrophobicContact CB-CG 4.33Å; K485-E491 HydrophobicContact CG-CG 4.22Å; K485-S524 WeakPolarHBondContact O-CA 3.07Å; K485-T525 PolarHBondContact N-O 2.67Å; K485-T525 PolarHBondContact O-N 2.75Å; K485-T525 PolarHBondContact O-OG1 2.71Å |
| 486 | F | 90.8 | Very high | 92.1 | Very high | 51 Ų | 51 | 76.2 Ų | 76.2 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | trans | -89.6 | 167.5 | -178.9 | -64.3 | -84.9 | 0 | 0 | 0 | 112.3 | E484 D488 D489 K490 K492 D521 | E484-F486 VanDerWaalsContact CD-CZ 3.46Å; E484-F486 HydrophobicContact CG-CE2 3.74Å; E484-F486 HydrophobicContact CG-CZ 3.91Å; E484-F486 WeakPolarHBondContact OE1-CZ 3.27Å; F486-D488 VanDerWaalsContact CB-OD1 3.3Å; F486-D488 WeakPolarHBondContact CB-OD1 3.32Å; F486-D488 PolarHBondContact O-N 2.86Å; F486-D489 PolarHBondContact O-N 3.41Å; F486-D489 VanDerWaalsContact O-N 3.08Å; F486-K490 HydrophobicContact CD2-CB 4.35Å; F486-K490 WeakPolarHBondContact CD2-O 3.49Å; F486-K490 PolarHBondContact N-O 3.42Å; F486-K492 HydrophobicContact CE2-CB 4.15Å; F486-D521 HydrophobicContact CE1-CB 3.82Å; F486-D521 HydrophobicContact CZ-CB 4.49Å | ||
| 487 | H | 87.3 | Confident | 92.5 | Very high | 168 Ų | 168 | 78.6 Ų | 78.6 | 78% | 0.778 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.7 | 177.1 | -72.2 | -65 | 0 | 0 | 0 | 114.4 | D489 S523 | H487-D489 PolarHBondContact O-N 3.35Å; H487-S523 PolarHBondContact NE2-O 3.31Å |
| 488 | D | 88.5 | Confident | 92.7 | Very high | 91 Ų | 91 | 75.7 Ų | 75.7 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 18.7 | 176.5 | 68.4 | -15 | 0 | 0 | 0 | 113.1 | F486 K490 | F486-D488 VanDerWaalsContact CB-OD1 3.3Å; F486-D488 WeakPolarHBondContact CB-OD1 3.32Å; F486-D488 PolarHBondContact O-N 2.86Å; D488-K490 PolarHBondContact O-N 2.93Å; D488-K490 VanDerWaalsContact O-N 3.08Å; D488-K490 WeakPolarHBondContact OD1-CB 3.48Å; D488-K490 WeakPolarHBondContact OD1-CG 3.49Å; D488-K490 PolarHBondContact OD1-N 3.31Å; D488-K490 VanDerWaalsContact OD2-CD 3.23Å; D488-K490 WeakPolarHBondContact OD2-CD 3.16Å; D488-K490 WeakPolarHBondContact OD2-CE 3.42Å; D488-K490 IonicContact OD2-NZ 2.71Å; D488-K490 PolarHBondContact OD2-NZ 3.18Å |
| 489 | D | 84.3 | Confident | 92.9 | Very high | 114 Ų | 114 | 74.8 Ų | 74.8 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 58.7 | 11.8 | -176.3 | -76 | -52.2 | 0 | 0 | 0 | 114.6 | K485 F486 H487 | K485-D489 WeakPolarHBondContact CE-OD1 3.45Å; K485-D489 IonicContact NZ-OD1 2.71Å; K485-D489 PolarHBondContact NZ-OD1 2.9Å; F486-D489 PolarHBondContact O-N 3.41Å; F486-D489 VanDerWaalsContact O-N 3.08Å; H487-D489 PolarHBondContact O-N 3.35Å |
| 490 | K | 90.2 | Very high | 92.9 | Very high | 134 Ų | 134 | 72.7 Ų | 72.7 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | trans | -71.2 | 140.7 | 169.4 | -68.6 | -176.9 | -172.4 | 132.5 | 0 | 110.3 | K485 F486 D488 | K485-K490 WeakPolarHBondContact CA-O 3.42Å; F486-K490 HydrophobicContact CD2-CB 4.35Å; F486-K490 WeakPolarHBondContact CD2-O 3.49Å; F486-K490 PolarHBondContact N-O 3.42Å; D488-K490 PolarHBondContact O-N 2.93Å; D488-K490 VanDerWaalsContact O-N 3.08Å; D488-K490 WeakPolarHBondContact OD1-CB 3.48Å; D488-K490 WeakPolarHBondContact OD1-CG 3.49Å; D488-K490 PolarHBondContact OD1-N 3.31Å; D488-K490 VanDerWaalsContact OD2-CD 3.23Å; D488-K490 WeakPolarHBondContact OD2-CD 3.16Å; D488-K490 WeakPolarHBondContact OD2-CE 3.42Å; D488-K490 IonicContact OD2-NZ 2.71Å; D488-K490 PolarHBondContact OD2-NZ 3.18Å | ||
| 491 | E | 92.2 | Very high | 92.6 | Very high | 115 Ų | 115 | 79.2 Ų | 79.2 | 54% | 0.537 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 136.7 | 174.4 | -68 | 179.6 | -174.3 | 0 | 0 | 109.6 | E484 K485 | E484-E491 WeakPolarHBondContact O-CA 3.32Å; K485-E491 HydrophobicContact CB-CG 4.33Å; K485-E491 HydrophobicContact CG-CG 4.22Å |
| 492 | K | 93.8 | Very high | 92.1 | Very high | 118 Ų | 118 | 79.4 Ų | 79.4 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.3 | 173.2 | 168.7 | 164.8 | 157.4 | -109.8 | 0 | 109.8 | V483 E484 F486 | V483-K492 CarbonylContact C-O 3.58Å; V483-K492 WeakPolarHBondContact CA-O 3.29Å; E484-K492 HydrophobicContact CG-CB 3.72Å; E484-K492 HydrophobicContact CG-CG 4.21Å; E484-K492 WeakPolarHBondContact CG-O 3.4Å; E484-K492 PolarHBondContact N-O 3.09Å; E484-K492 PolarHBondContact O-N 3.08Å; E484-K492 WeakPolarHBondContact OE1-CD 3.35Å; E484-K492 WeakPolarHBondContact OE1-CE 2.91Å; E484-K492 WeakPolarHBondContact OE1-CG 3.4Å; E484-K492 IonicContact OE1-NZ 3.85Å; E484-K492 PolarHBondContact OE1-NZ 3.2Å; F486-K492 HydrophobicContact CE2-CB 4.15Å |
| 493 | P | 94.5 | Very high | 91.7 | Very high | 103 Ų | 103 | 82.1 Ų | 82.1 | 67% | 0.669 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 139.8 | 173.2 | -23.8 | 34.1 | 0 | 0 | 0 | 111.7 | ||
| 494 | I | 94.6 | Very high | 91.1 | Very high | 16 Ų | 16 | 82.6 Ų | 82.6 | 8% | 0.082 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 129.7 | 178.7 | -64 | 176.6 | 0 | 0 | 0 | 109.1 | L482 E484 V496 F518 I526 | L482-I494 HydrophobicContact CB-CB 3.97Å; L482-I494 HydrophobicContact CB-CD1 4.23Å; L482-I494 PolarHBondContact O-N 2.83Å; E484-I494 HydrophobicContact CB-CD1 4Å; E484-I494 HydrophobicContact CB-CG1 4.12Å; E484-I494 HydrophobicContact CG-CG1 4.26Å; I494-V496 HydrophobicContact CG2-CG2 4.27Å; I494-F518 HydrophobicContact CD1-CD2 4.12Å; I494-F518 HydrophobicContact CD1-CE2 4.29Å; I494-F518 HydrophobicContact CG2-CB 3.32Å; I494-F518 HydrophobicContact CG2-CD2 3.64Å; I494-F518 HydrophobicContact CG2-CG 3.65Å; I494-I526 HydrophobicContact CD1-CG2 4.2Å |
| 495 | E | 94.2 | Very high | 90.7 | Very high | 176 Ų | 176 | 84 Ų | 84 | 82% | 0.822 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 130.5 | 169.7 | -173.1 | 177.6 | -175.4 | 0 | 0 | 110 | F518 | E495-F518 WeakPolarHBondContact O-CB 3.33Š|
| 496 | V | 96.1 | Very high | 90.3 | Very high | 28 Ų | 28 | 81.7 Ų | 81.7 | 17% | 0.17 | 41% | 0.406 | C | S | . | . | trans | -119.1 | 126.6 | -173.5 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | W480 L482 I494 V498 F517 F518 | W480-V496 HydrophobicContact CB-CB 4.22Å; W480-V496 HydrophobicContact CB-CG2 4Å; W480-V496 HydrophobicContact CD2-CG1 3.9Å; W480-V496 HydrophobicContact CE3-CG1 3.83Å; W480-V496 HydrophobicContact CG-CB 4.37Å; W480-V496 HydrophobicContact CG-CG1 4.21Å; W480-V496 HydrophobicContact CZ3-CG1 4.36Å; L482-V496 HydrophobicContact CD1-CG2 3.77Å; L482-V496 HydrophobicContact CG-CG2 4.25Å; I494-V496 HydrophobicContact CG2-CG2 4.27Å; V496-V498 HydrophobicContact CG1-CG2 4.24Å; V496-F517 WeakPolarHBondContact CA-O 3.26Å; V496-F518 HydrophobicContact CG2-CB 4.44Å | ||
| 497 | I | 95 | Very high | 90 | Very high | 97 Ų | 97 | 79.9 Ų | 79.9 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 113.5 | 169.7 | -53.6 | 176.5 | 0 | 0 | 0 | 107.9 | M273 G516 F517 | M273-I497 HydrophobicContact CE-CD1 3.95Å; I497-G516 WeakPolarHBondContact O-CA 3.3Å; I497-F517 HydrophobicContact CB-CB 4.28Å; I497-F517 PolarHBondContact N-O 3.05Å; I497-F517 PolarHBondContact O-N 2.86Å |
| 498 | V | 95.3 | Very high | 89.5 | Confident | 48 Ų | 48 | 72.9 Ų | 72.9 | 29% | 0.291 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 136.2 | -173.4 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | M478 W480 V496 F515 | M478-V498 HydrophobicContact CE-CG1 3.42Å; M478-V498 VanDerWaalsContact CE-CG1 3.42Å; W480-V498 HydrophobicContact CD2-CG2 4.48Å; W480-V498 HydrophobicContact CG-CG2 4.43Å; W480-V498 HydrophobicContact CZ2-CG1 4.32Å; W480-V498 HydrophobicContact CZ2-CG2 4.39Å; W480-V498 VanDerWaalsContact NE1-CG2 3.34Å; V496-V498 HydrophobicContact CG1-CG2 4.24Å; V498-F515 CarbonylContact C-O 3.44Å; V498-F515 WeakPolarHBondContact CA-O 3.19Å |
| 499 | V | 95.5 | Very high | 89 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.5 | 172.2 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | Y514 F515 F517 A569 M572 R573 | V499-Y514 CarbonylContact O-C 3.57Å; V499-Y514 WeakPolarHBondContact O-CA 3.05Å; V499-F515 HydrophobicContact CB-CB 4.3Å; V499-F515 PolarHBondContact N-O 2.94Å; V499-F515 PolarHBondContact O-N 3.37Å; V499-F517 HydrophobicContact CG2-CD2 4.19Å; V499-F517 HydrophobicContact CG2-CE2 3.94Å; V499-A569 WeakPolarHBondContact CG1-O 3.24Å; V499-M572 HydrophobicContact CG1-CB 4.36Å; V499-M572 HydrophobicContact CG1-CG 4.37Å; V499-R573 HydrophobicContact CG1-CB 3.83Å; V499-R573 HydrophobicContact CG2-CB 4.49Å |
| 500 | P | 93.2 | Very high | 89 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 13% | 0.13 | 34% | 0.337 | C | S | . | . | S | Bend | cis | -67.8 | 161.7 | -7 | 31.6 | -35 | 0 | 0 | 0 | 111.3 | Y514 M572 | P500-Y514 HydrophobicContact CG-CD1 4.39Å; P500-Y514 HydrophobicContact CG-CE1 4.49Å; P500-M572 HydrophobicContact CG-SD 4.25Å |
| 501 | K | 89.7 | Confident | 89.1 | Confident | 166 Ų | 166 | 63.3 Ų | 63.3 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -71.5 | -39.7 | 179.3 | -175.1 | 179 | 178.6 | -177.6 | 0 | 111.2 | E576 | K501-E576 PolarHBondContact N-OE1 3.39Å; K501-E576 PolarHBondContact N-OE2 3.1Å; K501-E576 VanDerWaalsContact N-OE2 3.14Å |
| 502 | R | 85.1 | Confident | 89.1 | Confident | 119 Ų | 119 | 58.6 Ų | 58.6 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -86.9 | 128.1 | 175.5 | -60.4 | -174.2 | -165.5 | -164.5 | 4.8 | 110.2 | A504 E576 E580 | R502-A504 PolarHBondContact O-N 3.4Å; R502-E576 PolarHBondContact N-OE1 3.06Å; R502-E580 IonicContact NH2-OE1 3.79Å; R502-E580 PolarHBondContact NH2-OE1 2.95Å |
| 503 | I | 85.7 | Confident | 89.1 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | trans | -76.7 | 113.1 | 174 | -55.5 | 179.1 | 0 | 0 | 0 | 108.5 | I476 M478 Y514 F532 | I476-I503 HydrophobicContact CB-CG2 4.44Å; I476-I503 HydrophobicContact CG2-CG2 3.58Å; M478-I503 HydrophobicContact CB-CD1 4.12Å; I503-Y514 HydrophobicContact CG2-CE1 4.15Å; I503-Y514 WeakPolarHBondContact CG2-OH 3.31Å; I503-F532 HydrophobicContact CG2-CE2 4.31Å | ||
| 504 | A | 82.4 | Confident | 89.1 | Confident | 43 Ų | 43 | 49.1 Ų | 49.1 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | trans | -69.1 | 158.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R502 | R502-A504 PolarHBondContact O-N 3.4Š| ||
| 505 | P | 84.2 | Confident | 89.2 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | trans | -57.8 | 144.4 | 169.8 | -22.1 | 33.3 | 0 | 0 | 0 | 111.6 | N445 F507 | N445-P505 HydrophobicContact CB-CG 3.82Å; P505-F507 HydrophobicContact CB-CE2 4.11Å; P505-F507 HydrophobicContact CB-CZ 4.23Å | ||
| 506 | V | 84.3 | Confident | 89.3 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | trans | -107 | 131.8 | -177.1 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | L280 P282 Q470 F532 | L280-V506 HydrophobicContact CD2-CG1 4.3Å; P282-V506 HydrophobicContact CG-CG1 3.36Å; Q470-V506 PolarHBondContact NE2-O 3.23Å; V506-F532 HydrophobicContact CB-CZ 4.24Å; V506-F532 HydrophobicContact CG2-CE1 4.25Å; V506-F532 HydrophobicContact CG2-CE2 3.95Å; V506-F532 HydrophobicContact CG2-CZ 3.41Å; V506-F532 VanDerWaalsContact CG2-CZ 3.41Å | ||
| 507 | F | 83.7 | Confident | 89.4 | Confident | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | trans | -113.5 | 141.8 | -175.5 | -61.1 | -88.8 | 0 | 0 | 0 | 111.2 | F424 T447 A467 P505 R510 | F424-F507 AromaticContact CE1-CE1 3.78Å; F424-F507 HydrophobicContact CE1-CE1 3.78Å; F424-F507 AromaticContact CE1-CZ 3.99Å; F424-F507 HydrophobicContact CE1-CZ 3.99Å; F424-F507 HydrophobicContact CZ-CE1 4.1Å; F424-F507 HydrophobicContact CZ-CZ 4.34Å; T447-F507 HydrophobicContact CG2-CD1 4.22Å; T447-F507 HydrophobicContact CG2-CD2 3.57Å; T447-F507 HydrophobicContact CG2-CE1 4.23Å; T447-F507 HydrophobicContact CG2-CE2 3.58Å; T447-F507 HydrophobicContact CG2-CG 3.91Å; T447-F507 HydrophobicContact CG2-CZ 3.92Å; A467-F507 HydrophobicContact CB-CD1 3.63Å; A467-F507 HydrophobicContact CB-CE1 3.89Å; P505-F507 HydrophobicContact CB-CE2 4.11Å; P505-F507 HydrophobicContact CB-CZ 4.23Å; F507-R510 HydrophobicContact CB-CB 4.29Å; F507-R510 PolarHBondContact O-N 3.08Å | ||
| 508 | P | 77.6 | Confident | 89.4 | Confident | 21 Ų | 21 | 34.5 Ų | 34.5 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 147.5 | 171 | -22.4 | 28.9 | 0 | 0 | 0 | 111.2 | I284 R510 | I284-P508 HydrophobicContact CB-CG 4.3Å; P508-R510 PolarHBondContact O-N 3.05Å |
| 509 | D | 77.4 | Confident | 89.2 | Confident | 42 Ų | 42 | 39.9 Ų | 39.9 | 23% | 0.225 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 18.9 | 174.8 | -61.1 | -47.4 | 0 | 0 | 0 | 114.3 | K147 | K147-D509 IonicContact NZ-OD2 3.68Š|
| 510 | R | 85.4 | Confident | 89 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -129.7 | 142.1 | 172.1 | -70.4 | -164.6 | 178.2 | -142.4 | 19.2 | 112.1 | L281 T447 A448 E449 F507 P508 | L281-R510 WeakPolarHBondContact CD1-O 3.39Å; T447-R510 VanDerWaalsContact CB-CZ 3.41Å; T447-R510 PolarHBondContact OG1-NH2 3.28Å; A448-R510 PolarHBondContact O-NH1 3.49Å; A448-R510 PolarHBondContact O-NH2 3.47Å; A448-R510 VanDerWaalsContact O-NH2 3.1Å; E449-R510 IonicContact OE1-CZ 2.72Å; E449-R510 IonicContact OE1-NE 3.4Å; E449-R510 IonicContact OE1-NH2 3.37Å; E449-R510 PolarHBondContact OE1-NH2 3.38Å; F507-R510 HydrophobicContact CB-CB 4.29Å; F507-R510 PolarHBondContact O-N 3.08Å; P508-R510 PolarHBondContact O-N 3.05Å |
| 511 | F | 91.4 | Very high | 88.6 | Confident | 40 Ų | 40 | 43.9 Ų | 43.9 | 18% | 0.175 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -76 | 131.2 | 176.2 | -75.7 | -74 | 0 | 0 | 0 | 112.1 | M38 L254 T255 L257 Q279 L280 L281 | M38-F511 HydrophobicContact CE-CE2 4.28Å; M38-F511 HydrophobicContact CG-CD2 4.2Å; M38-F511 HydrophobicContact CG-CE2 3.72Å; M38-F511 HydrophobicContact CG-CZ 4.1Å; M38-F511 HydrophobicContact SD-CE2 4.07Å; L254-F511 HydrophobicContact CB-CE2 4.38Å; L254-F511 HydrophobicContact CB-CZ 4.11Å; L254-F511 HydrophobicContact CD1-CE2 4.1Å; L254-F511 HydrophobicContact CD2-CZ 4.43Å; T255-F511 WeakPolarHBondContact O-CE1 3.4Å; L257-F511 HydrophobicContact CD1-CE1 4.3Å; L257-F511 HydrophobicContact CD1-CZ 3.96Å; L257-F511 HydrophobicContact CG-CE1 4.21Å; L257-F511 HydrophobicContact CG-CZ 4.25Å; Q279-F511 HydrophobicContact CB-CD1 3.55Å; Q279-F511 HydrophobicContact CB-CE1 3.96Å; Q279-F511 HydrophobicContact CB-CG 4.25Å; Q279-F511 WeakPolarHBondContact O-CD1 3.42Å; L280-F511 CarbonylContact O-C 3.56Å; L280-F511 VanDerWaalsContact O-CA 3.27Å; L280-F511 WeakPolarHBondContact O-CA 3.33Å; L281-F511 HydrophobicContact CB-CD1 3.69Å; L281-F511 HydrophobicContact CB-CE1 3.54Å; L281-F511 HydrophobicContact CB-CG 4.44Å; L281-F511 HydrophobicContact CB-CZ 4.16Å; L281-F511 HydrophobicContact CD1-CG 4.47Å; L281-F511 HydrophobicContact CD2-CE1 4.12Å; L281-F511 HydrophobicContact CD2-CE2 4.24Å; L281-F511 HydrophobicContact CD2-CZ 3.86Å; L281-F511 HydrophobicContact CG-CE1 4.35Å |
| 512 | S | 91.2 | Very high | 88.2 | Confident | 16 Ų | 16 | 44.5 Ų | 44.5 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.3 | 160.3 | -59.7 | 0 | 0 | 0 | 0 | 108.6 | L280 | L280-S512 PolarHBondContact N-O 2.93Å; L280-S512 PolarHBondContact O-N 3.12Å |
| 513 | T | 94.3 | Very high | 88.1 | Confident | 18 Ų | 18 | 41.5 Ų | 41.5 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.4 | -175.8 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | L140 M277 V278 Q279 F515 | L140-T513 HydrophobicContact CD1-CG2 4.48Å; L140-T513 HydrophobicContact CD2-CG2 4.38Å; M277-T513 HydrophobicContact CG-CG2 3.99Å; M277-T513 HydrophobicContact SD-CG2 4.31Å; V278-T513 CarbonylContact O-C 3.55Å; V278-T513 WeakPolarHBondContact O-CA 3.33Å; Q279-T513 HydrophobicContact CG-CG2 4.21Å; T513-F515 HydrophobicContact CG2-CD2 4.49Å; T513-F515 HydrophobicContact CG2-CE1 4.26Å; T513-F515 HydrophobicContact CG2-CE2 3.73Å; T513-F515 HydrophobicContact CG2-CZ 3.59Å |
| 514 | Y | 95.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 152.6 | 175.7 | -54.9 | -88.5 | 0 | 0 | 0 | 109.8 | V278 M478 V499 P500 I503 | V278-Y514 PolarHBondContact N-O 2.88Å; V278-Y514 PolarHBondContact O-N 2.9Å; M478-Y514 HydrophobicContact CE-CD1 3.42Å; M478-Y514 VanDerWaalsContact CE-CD1 3.42Å; M478-Y514 HydrophobicContact CE-CD2 4.33Å; M478-Y514 HydrophobicContact CE-CE1 4.09Å; M478-Y514 HydrophobicContact CE-CG 3.58Å; M478-Y514 HydrophobicContact SD-CD1 4.11Å; M478-Y514 HydrophobicContact SD-CD2 3.93Å; M478-Y514 HydrophobicContact SD-CE2 4.47Å; M478-Y514 HydrophobicContact SD-CG 3.73Å; V499-Y514 CarbonylContact O-C 3.57Å; V499-Y514 WeakPolarHBondContact O-CA 3.05Å; P500-Y514 HydrophobicContact CG-CD1 4.39Å; P500-Y514 HydrophobicContact CG-CE1 4.49Å; I503-Y514 HydrophobicContact CG2-CE1 4.15Å; I503-Y514 WeakPolarHBondContact CG2-OH 3.31Å |
| 515 | F | 96.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.9 | 177.7 | -54.8 | -88.9 | 0 | 0 | 0 | 109.6 | L276 M277 V498 V499 T513 I565 L568 A569 M572 | L276-F515 CarbonylContact O-C 3.52Å; L276-F515 VanDerWaalsContact O-CA 3.29Å; L276-F515 WeakPolarHBondContact O-CA 3.38Å; M277-F515 HydrophobicContact CB-CD1 3.86Å; M277-F515 HydrophobicContact CB-CE1 3.85Å; M277-F515 HydrophobicContact CG-CD1 3.92Å; M277-F515 HydrophobicContact CG-CE1 3.5Å; M277-F515 HydrophobicContact CG-CZ 4.22Å; M277-F515 HydrophobicContact SD-CE1 3.66Å; M277-F515 HydrophobicContact SD-CZ 4.17Å; V498-F515 CarbonylContact C-O 3.44Å; V498-F515 WeakPolarHBondContact CA-O 3.19Å; V499-F515 HydrophobicContact CB-CB 4.3Å; V499-F515 PolarHBondContact N-O 2.94Å; V499-F515 PolarHBondContact O-N 3.37Å; T513-F515 HydrophobicContact CG2-CD2 4.49Å; T513-F515 HydrophobicContact CG2-CE1 4.26Å; T513-F515 HydrophobicContact CG2-CE2 3.73Å; T513-F515 HydrophobicContact CG2-CZ 3.59Å; F515-I565 HydrophobicContact CD1-CG2 3.7Å; F515-I565 HydrophobicContact CE1-CG2 3.75Å; F515-L568 HydrophobicContact CE1-CD2 4.35Å; F515-L568 HydrophobicContact CE1-CG 4.49Å; F515-L568 HydrophobicContact CZ-CB 4.37Å; F515-L568 HydrophobicContact CZ-CD2 3.91Å; F515-L568 HydrophobicContact CZ-CG 3.86Å; F515-A569 HydrophobicContact CB-CB 3.72Å; F515-A569 HydrophobicContact CD1-CB 3.58Å; F515-A569 HydrophobicContact CD2-CB 3.73Å; F515-A569 HydrophobicContact CE1-CB 4.06Å; F515-A569 HydrophobicContact CE2-CB 4.21Å; F515-A569 HydrophobicContact CG-CB 3.38Å; F515-A569 HydrophobicContact CZ-CB 4.36Å; F515-M572 HydrophobicContact CD2-SD 4.11Å; F515-M572 HydrophobicContact CE2-CB 4.33Å; F515-M572 HydrophobicContact CE2-CE 4.15Å; F515-M572 HydrophobicContact CE2-SD 3.71Å |
| 516 | G | 96.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 112.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L276 I497 F518 | L276-G516 PolarHBondContact N-O 3.45Å; L276-G516 PolarHBondContact O-N 3.36Å; I497-G516 WeakPolarHBondContact O-CA 3.3Å; G516-F518 WeakPolarHBondContact O-CD1 3.29Å |
| 517 | F | 96.5 | Very high | 89.1 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.7 | 169.8 | -65.1 | -78.1 | 0 | 0 | 0 | 110.3 | I270 M273 N274 C275 V496 I497 V499 H566 A569 | I270-F517 HydrophobicContact CB-CE1 4.43Å; M273-F517 HydrophobicContact CE-CB 3.81Å; M273-F517 HydrophobicContact SD-CB 4.35Å; N274-F517 VanDerWaalsContact O-CA 3.31Å; N274-F517 WeakPolarHBondContact O-CA 3.48Å; C275-F517 HydrophobicContact CB-CD1 3.89Å; C275-F517 HydrophobicContact CB-CE1 3.85Å; C275-F517 VanDerWaalsContact SG-CE1 3.52Å; V496-F517 WeakPolarHBondContact CA-O 3.26Å; I497-F517 HydrophobicContact CB-CB 4.28Å; I497-F517 PolarHBondContact N-O 3.05Å; I497-F517 PolarHBondContact O-N 2.86Å; V499-F517 HydrophobicContact CG2-CD2 4.19Å; V499-F517 HydrophobicContact CG2-CE2 3.94Å; F517-H566 HydrophobicContact CE1-CB 4.44Å; F517-H566 AromaticContact CE1-CD2 3.61Å; F517-A569 HydrophobicContact CE1-CB 4.32Å; F517-A569 HydrophobicContact CE2-CB 3.82Å; F517-A569 HydrophobicContact CZ-CB 3.41Å; F517-A569 VanDerWaalsContact CZ-CB 3.41Å |
| 518 | F | 95.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 161.5 | 178.7 | 58.8 | -85.5 | 0 | 0 | 0 | 112.4 | L260 N274 L276 L482 I494 E495 V496 G516 I526 | L260-F518 HydrophobicContact CD1-CE1 4.39Å; L260-F518 HydrophobicContact CD1-CZ 3.85Å; N274-F518 HydrophobicContact CB-CD2 4.18Å; N274-F518 HydrophobicContact CB-CE1 4.22Å; N274-F518 HydrophobicContact CB-CE2 3.74Å; N274-F518 HydrophobicContact CB-CZ 3.76Å; N274-F518 PolarHBondContact N-O 3.12Å; N274-F518 PolarHBondContact O-N 3.4Å; L276-F518 HydrophobicContact CB-CE1 3.78Å; L482-F518 HydrophobicContact CD1-CD1 4.21Å; L482-F518 HydrophobicContact CD1-CE1 4.17Å; I494-F518 HydrophobicContact CD1-CD2 4.12Å; I494-F518 HydrophobicContact CD1-CE2 4.29Å; I494-F518 HydrophobicContact CG2-CB 3.32Å; I494-F518 HydrophobicContact CG2-CD2 3.64Å; I494-F518 HydrophobicContact CG2-CG 3.65Å; E495-F518 WeakPolarHBondContact O-CB 3.33Å; V496-F518 HydrophobicContact CG2-CB 4.44Å; G516-F518 WeakPolarHBondContact O-CD1 3.29Å; F518-I526 HydrophobicContact CE2-CD1 3.56Å; F518-I526 HydrophobicContact CE2-CG1 3.97Å; F518-I526 HydrophobicContact CE2-CG2 4.17Å; F518-I526 HydrophobicContact CZ-CD1 3.85Å; F518-I526 HydrophobicContact CZ-CG1 4.5Å; F518-I526 HydrophobicContact CZ-CG2 4.2Å |
| 519 | K | 92.4 | Very high | 90.4 | Very high | 161 Ų | 161 | 46.5 Ų | 46.5 | 70% | 0.7 | 24% | 0.24 | S | C | * | . | trans | -100.7 | 141.8 | 173.1 | -63.2 | -178.5 | -178.9 | 177.9 | 0 | 109.3 | M273 | M273-K519 HydrophobicContact CE-CG 4.29Å; M273-K519 HydrophobicContact CG-CG 4.19Å | ||
| 520 | S | 90 | Very high | 91.3 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 25% | 0.245 | 23% | 0.23 | C | C | . | . | trans | -138.8 | 158.5 | 169.3 | 74.7 | 0 | 0 | 0 | 0 | 110.2 | N274 | N274-S520 PolarHBondContact ND2-OG 2.92Š| ||
| 521 | D | 85.9 | Confident | 91.7 | Very high | 79 Ų | 79 | 42.4 Ų | 42.4 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | trans | -67.4 | 149.4 | 166.7 | -160.9 | -70.3 | 0 | 0 | 0 | 111.1 | E484 F486 S523 S524 | E484-D521 PolarHBondContact OE2-N 3.35Å; F486-D521 HydrophobicContact CE1-CB 3.82Å; F486-D521 HydrophobicContact CZ-CB 4.49Å; D521-S523 PolarHBondContact O-N 3.46Å; D521-S523 WeakPolarHBondContact OD1-CB 3.36Å; D521-S523 PolarHBondContact OD1-N 2.83Å; D521-S523 PolarHBondContact OD1-OG 2.83Å; D521-S524 PolarHBondContact O-N 2.93Å; D521-S524 PolarHBondContact O-OG 3.34Å | ||
| 522 | K | 80.6 | Confident | 91.8 | Very high | 178 Ų | 178 | 40.7 Ų | 40.7 | 77% | 0.774 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.7 | 176.3 | -69.1 | -173.8 | 178.6 | -178.9 | 0 | 113 | ||
| 523 | S | 82.9 | Confident | 91.8 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 39% | 0.392 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -4.7 | 179 | 64 | 0 | 0 | 0 | 0 | 113.9 | H487 D521 | H487-S523 PolarHBondContact NE2-O 3.31Å; D521-S523 PolarHBondContact O-N 3.46Å; D521-S523 WeakPolarHBondContact OD1-CB 3.36Å; D521-S523 PolarHBondContact OD1-N 2.83Å; D521-S523 PolarHBondContact OD1-OG 2.83Å |
| 524 | S | 86.2 | Confident | 91.5 | Very high | 13 Ų | 13 | 41 Ų | 41 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -94.9 | 155.7 | 179.4 | 70.3 | 0 | 0 | 0 | 0 | 111.8 | K485 D521 | K485-S524 WeakPolarHBondContact O-CA 3.07Å; D521-S524 PolarHBondContact O-N 2.93Å; D521-S524 PolarHBondContact O-OG 3.34Å |
| 525 | T | 88.8 | Confident | 91 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 136.9 | 170 | 58 | 0 | 0 | 0 | 0 | 109.4 | K485 | K485-T525 PolarHBondContact N-O 2.67Å; K485-T525 PolarHBondContact O-N 2.75Å; K485-T525 PolarHBondContact O-OG1 2.71Å |
| 526 | I | 91.2 | Very high | 90.3 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 11% | 0.108 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.3 | -179.7 | -58.4 | 151.3 | 0 | 0 | 0 | 108.2 | L260 Y262 I494 F518 | L260-I526 HydrophobicContact CD1-CD1 4.42Å; L260-I526 HydrophobicContact CD2-CD1 3.96Å; Y262-I526 HydrophobicContact CE1-CD1 3.7Å; I494-I526 HydrophobicContact CD1-CG2 4.2Å; F518-I526 HydrophobicContact CE2-CD1 3.56Å; F518-I526 HydrophobicContact CE2-CG1 3.97Å; F518-I526 HydrophobicContact CE2-CG2 4.17Å; F518-I526 HydrophobicContact CZ-CD1 3.85Å; F518-I526 HydrophobicContact CZ-CG1 4.5Å; F518-I526 HydrophobicContact CZ-CG2 4.2Å |
| 527 | Q | 92.4 | Very high | 89.5 | Confident | 81 Ų | 81 | 45.2 Ų | 45.2 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 168 | 178.6 | -58.8 | -172.3 | -3.2 | 0 | 0 | 110.6 | V483 | V483-Q527 HydrophobicContact CG2-CB 3.94Å; V483-Q527 PolarHBondContact N-O 2.97Å; V483-Q527 PolarHBondContact O-N 3.4Å |
| 528 | G | 93.9 | Very high | 88.8 | Confident | 26 Ų | 26 | 47.9 Ų | 47.9 | 27% | 0.268 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.5 | -155.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K481 I547 | K481-G528 VanDerWaalsContact O-CA 3.27Å; K481-G528 WeakPolarHBondContact O-CA 3.28Å; G528-I547 PolarHBondContact O-N 2.8Å |
| 529 | Q | 94.9 | Very high | 88.2 | Confident | 65 Ų | 65 | 53.6 Ų | 53.6 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 156.9 | -172.3 | 65.9 | -169.8 | 36.7 | 0 | 0 | 112.4 | K481 N531 I544 L545 | K481-Q529 CarbonylContact C-O 3.55Å; K481-Q529 WeakPolarHBondContact CA-O 3.36Å; K481-Q529 HydrophobicContact CB-CG 4.39Å; K481-Q529 PolarHBondContact N-O 2.66Å; K481-Q529 PolarHBondContact O-N 3.09Å; Q529-N531 PolarHBondContact NE2-OD1 2.8Å; Q529-I544 HydrophobicContact CB-CG2 4Å; Q529-I544 VanDerWaalsContact CD-CG2 3.46Å; Q529-I544 HydrophobicContact CG-CG2 4.1Å; Q529-L545 CarbonylContact C-O 3.47Å; Q529-L545 WeakPolarHBondContact CA-O 3.49Å; Q529-L545 WeakPolarHBondContact CB-O 3.38Å |
| 530 | V | 95.1 | Very high | 88.1 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.2 | 168.3 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | L276 V278 M478 W480 L545 I547 | L276-V530 HydrophobicContact CD2-CG2 4.42Å; V278-V530 HydrophobicContact CG2-CB 4.47Å; V278-V530 HydrophobicContact CG2-CG2 4.06Å; M478-V530 HydrophobicContact CG-CG1 3.71Å; M478-V530 HydrophobicContact SD-CG1 4.04Å; W480-V530 HydrophobicContact CD2-CG1 4.19Å; W480-V530 HydrophobicContact CD2-CG2 3.78Å; W480-V530 HydrophobicContact CE3-CG2 3.4Å; W480-V530 VanDerWaalsContact CE3-CG2 3.4Å; W480-V530 HydrophobicContact CG-CG2 4.38Å; W480-V530 HydrophobicContact CH2-CG2 4.4Å; W480-V530 HydrophobicContact CZ3-CG2 3.76Å; V530-L545 PolarHBondContact N-O 2.92Å; V530-L545 PolarHBondContact O-N 3.21Å; V530-I547 HydrophobicContact CG2-CD1 4.26Å |
| 531 | N | 94.2 | Very high | 87.9 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.6 | 176.1 | -45.9 | -57 | 0 | 0 | 0 | 108.5 | M478 D479 K481 Q529 | M478-N531 CarbonylContact C-O 3.52Å; M478-N531 WeakPolarHBondContact CA-O 3.46Å; D479-N531 HydrophobicContact CB-CB 4.33Å; D479-N531 PolarHBondContact N-O 2.93Å; D479-N531 PolarHBondContact O-N 3.44Å; D479-N531 PolarHBondContact OD2-ND2 3.26Å; K481-N531 WeakPolarHBondContact CE-ND2 3.48Å; Q529-N531 PolarHBondContact NE2-OD1 2.8Å |
| 532 | F | 92.2 | Very high | 88.1 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.022 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 114.9 | 170.1 | 177.8 | -90.8 | 0 | 0 | 0 | 108.1 | L280 I476 I503 V506 C534 S542 F543 | L280-F532 HydrophobicContact CD1-CB 4.23Å; L280-F532 HydrophobicContact CD1-CG 4.44Å; L280-F532 HydrophobicContact CD2-CB 4.04Å; L280-F532 HydrophobicContact CD2-CD1 3.45Å; L280-F532 VanDerWaalsContact CD2-CD1 3.45Å; L280-F532 HydrophobicContact CD2-CD2 3.62Å; L280-F532 HydrophobicContact CD2-CE1 3.71Å; L280-F532 HydrophobicContact CD2-CE2 3.85Å; L280-F532 HydrophobicContact CD2-CG 3.41Å; L280-F532 VanDerWaalsContact CD2-CG 3.41Å; L280-F532 HydrophobicContact CD2-CZ 3.91Å; I476-F532 HydrophobicContact CG2-CD2 4.41Å; I476-F532 HydrophobicContact CG2-CE1 4.42Å; I476-F532 HydrophobicContact CG2-CE2 3.36Å; I476-F532 HydrophobicContact CG2-CZ 3.36Å; I503-F532 HydrophobicContact CG2-CE2 4.31Å; V506-F532 HydrophobicContact CB-CZ 4.24Å; V506-F532 HydrophobicContact CG2-CE1 4.25Å; V506-F532 HydrophobicContact CG2-CE2 3.95Å; V506-F532 HydrophobicContact CG2-CZ 3.41Å; V506-F532 VanDerWaalsContact CG2-CZ 3.41Å; F532-C534 HydrophobicContact CE1-CB 3.99Å; F532-C534 HydrophobicContact CZ-CB 4.37Å; F532-S542 CarbonylContact O-C 3.6Å; F532-S542 WeakPolarHBondContact O-CA 3.48Å; F532-F543 HydrophobicContact CB-CB 4.38Å; F532-F543 AromaticContact CD1-CD2 3.77Å; F532-F543 HydrophobicContact CD1-CD2 3.77Å; F532-F543 HydrophobicContact CD1-CE2 4.43Å; F532-F543 HydrophobicContact CE1-CD2 4.41Å; F532-F543 PolarHBondContact N-O 3.46Å; F532-F543 PolarHBondContact O-N 2.82Å |
| 533 | N | 91.3 | Very high | 88.5 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.1 | 178 | -46.8 | -50.8 | 0 | 0 | 0 | 109.8 | I476 E477 K541 S542 | I476-N533 WeakPolarHBondContact CA-O 3.38Å; E477-N533 HydrophobicContact CG-CB 3.63Å; E477-N533 PolarHBondContact N-O 2.83Å; E477-N533 PolarHBondContact O-N 3.44Å; E477-N533 WeakPolarHBondContact OE1-CB 3.41Å; E477-N533 PolarHBondContact OE1-ND2 3.47Å; N533-K541 WeakPolarHBondContact CA-O 3.14Å; N533-S542 VanDerWaalsContact OD1-CB 3.24Å; N533-S542 WeakPolarHBondContact OD1-CB 3.24Å; N533-S542 PolarHBondContact OD1-OG 2.82Å |
| 534 | C | 88.7 | Confident | 88.9 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 165.1 | 175 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | A473 I476 F532 K541 | A473-C534 HydrophobicContact CB-CB 4.13Å; I476-C534 HydrophobicContact CG1-CB 4.22Å; F532-C534 HydrophobicContact CE1-CB 3.99Å; F532-C534 HydrophobicContact CZ-CB 4.37Å; C534-K541 PolarHBondContact N-O 2.89Å; C534-K541 PolarHBondContact O-N 2.88Å; C534-K541 VanDerWaalsContact O-O 3.13Å |
| 535 | S | 85.5 | Confident | 89.2 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.5 | 173.7 | 174.6 | 0 | 0 | 0 | 0 | 109.4 | A473 D474 E539 | A473-S535 CarbonylContact C-O 3.57Å; A473-S535 VanDerWaalsContact CA-O 3.32Å; A473-S535 WeakPolarHBondContact CA-O 3.2Å; D474-S535 PolarHBondContact N-O 2.97Å; D474-S535 PolarHBondContact O-N 2.72Å; S535-E539 CarbonylContact C-O 3.52Å; S535-E539 WeakPolarHBondContact CA-O 3.23Å |
| 536 | V | 81.9 | Confident | 89.4 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.4 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 108 | P471 A473 G538 E539 | P471-V536 HydrophobicContact CB-CG1 4.23Å; A473-V536 HydrophobicContact CB-CG2 4.03Å; V536-G538 PolarHBondContact O-N 2.84Å; V536-G538 VanDerWaalsContact O-N 3.15Å; V536-E539 PolarHBondContact N-O 3.3Å; V536-E539 WeakPolarHBondContact O-CB 3.22Å; V536-E539 PolarHBondContact O-N 3.3Å |
| 537 | L | 79.5 | Confident | 89.3 | Confident | 74 Ų | 74 | 48.2 Ų | 48.2 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 35.2 | -177.8 | -59.5 | 174.4 | 0 | 0 | 0 | 113.5 | V287 M293 P471 E539 | V287-L537 HydrophobicContact CB-CD1 4.07Å; V287-L537 HydrophobicContact CG1-CD1 3.53Å; V287-L537 HydrophobicContact CG2-CD1 4.41Å; M293-L537 HydrophobicContact CE-CD2 3.44Å; M293-L537 VanDerWaalsContact CE-CD2 3.44Å; M293-L537 HydrophobicContact SD-CD2 4.08Å; P471-L537 HydrophobicContact CB-CD1 4.46Å; P471-L537 HydrophobicContact CB-CD2 3.93Å; P471-L537 HydrophobicContact CB-CG 4Å; P471-L537 HydrophobicContact CG-CD1 4.01Å; P471-L537 HydrophobicContact CG-CD2 4.13Å; P471-L537 HydrophobicContact CG-CG 4.1Å; L537-E539 VanDerWaalsContact C-N 3.26Å; L537-E539 PolarHBondContact O-N 2.83Å |
| 538 | G | 81.5 | Confident | 89 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 65% | 0.649 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -8.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V536 | V536-G538 PolarHBondContact O-N 2.84Å; V536-G538 VanDerWaalsContact O-N 3.15Å |
| 539 | E | 84.3 | Confident | 88.5 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 119.6 | 173.4 | -169.5 | -173.5 | -167.5 | 0 | 0 | 110.2 | S535 V536 L537 K541 | S535-E539 CarbonylContact C-O 3.52Å; S535-E539 WeakPolarHBondContact CA-O 3.23Å; V536-E539 PolarHBondContact N-O 3.3Å; V536-E539 WeakPolarHBondContact O-CB 3.22Å; V536-E539 PolarHBondContact O-N 3.3Å; L537-E539 VanDerWaalsContact C-N 3.26Å; L537-E539 PolarHBondContact O-N 2.83Å; E539-K541 VanDerWaalsContact OE2-CE 3.26Å; E539-K541 WeakPolarHBondContact OE2-CE 3.37Å; E539-K541 IonicContact OE2-NZ 2.92Å |
| 540 | K | 88.3 | Confident | 88 | Confident | 188 Ų | 188 | 54.4 Ų | 54.4 | 82% | 0.817 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 129.7 | 174.7 | -67.1 | -172.6 | 179.2 | -172.8 | 0 | 110.5 | ||
| 541 | K | 87.1 | Confident | 87.6 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 14% | 0.139 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.1 | 174.9 | -61.1 | -166 | 175.2 | -166.9 | 0 | 109.9 | N533 C534 E539 F543 | N533-K541 WeakPolarHBondContact CA-O 3.14Å; C534-K541 PolarHBondContact N-O 2.89Å; C534-K541 PolarHBondContact O-N 2.88Å; C534-K541 VanDerWaalsContact O-O 3.13Å; E539-K541 VanDerWaalsContact OE2-CE 3.26Å; E539-K541 WeakPolarHBondContact OE2-CE 3.37Å; E539-K541 IonicContact OE2-NZ 2.92Å; K541-F543 HydrophobicContact CB-CE2 3.81Å; K541-F543 HydrophobicContact CB-CZ 4.23Å; K541-F543 HydrophobicContact CD-CZ 4.45Å |
| 542 | S | 89.8 | Confident | 87.2 | Confident | 69 Ų | 69 | 57 Ų | 57 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 129.4 | 178.3 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | F532 N533 | F532-S542 CarbonylContact O-C 3.6Å; F532-S542 WeakPolarHBondContact O-CA 3.48Å; N533-S542 VanDerWaalsContact OD1-CB 3.24Å; N533-S542 WeakPolarHBondContact OD1-CB 3.24Å; N533-S542 PolarHBondContact OD1-OG 2.82Å |
| 543 | F | 88.7 | Confident | 86.7 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 17% | 0.171 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.3 | 178.6 | -57.5 | -92.1 | 0 | 0 | 0 | 107.6 | L280 P282 I284 F532 K541 | L280-F543 HydrophobicContact CD1-CB 3.96Å; L280-F543 HydrophobicContact CD1-CG 4.46Å; P282-F543 HydrophobicContact CB-CD1 3.92Å; P282-F543 HydrophobicContact CB-CD2 4.26Å; P282-F543 HydrophobicContact CB-CE1 3.47Å; P282-F543 VanDerWaalsContact CB-CE1 3.47Å; P282-F543 HydrophobicContact CB-CE2 3.81Å; P282-F543 HydrophobicContact CB-CG 4.29Å; P282-F543 HydrophobicContact CB-CZ 3.39Å; I284-F543 HydrophobicContact CG1-CZ 4.03Å; F532-F543 HydrophobicContact CB-CB 4.38Å; F532-F543 AromaticContact CD1-CD2 3.77Å; F532-F543 HydrophobicContact CD1-CD2 3.77Å; F532-F543 HydrophobicContact CD1-CE2 4.43Å; F532-F543 HydrophobicContact CE1-CD2 4.41Å; F532-F543 PolarHBondContact N-O 3.46Å; F532-F543 PolarHBondContact O-N 2.82Å; K541-F543 HydrophobicContact CB-CE2 3.81Å; K541-F543 HydrophobicContact CB-CZ 4.23Å; K541-F543 HydrophobicContact CD-CZ 4.45Å |
| 544 | I | 91.3 | Very high | 86.2 | Confident | 101 Ų | 101 | 56.9 Ų | 56.9 | 52% | 0.518 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.7 | -175.4 | -58.2 | 176.7 | 0 | 0 | 0 | 108.9 | Q529 | Q529-I544 HydrophobicContact CB-CG2 4Å; Q529-I544 VanDerWaalsContact CD-CG2 3.46Å; Q529-I544 HydrophobicContact CG-CG2 4.1Å |
| 545 | L | 92.4 | Very high | 85.3 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 110 | 177.2 | -143.8 | 73.2 | 0 | 0 | 0 | 111 | L257 V278 Q529 V530 | L257-L545 WeakPolarHBondContact O-CD2 3.26Å; V278-L545 HydrophobicContact CG1-CD2 3.78Å; Q529-L545 CarbonylContact C-O 3.47Å; Q529-L545 WeakPolarHBondContact CA-O 3.49Å; Q529-L545 WeakPolarHBondContact CB-O 3.38Å; V530-L545 PolarHBondContact N-O 2.92Å; V530-L545 PolarHBondContact O-N 3.21Å |
| 546 | S | 92.3 | Very high | 84.4 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 30% | 0.301 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133.1 | 177.9 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | S548 K549 | S546-S548 PolarHBondContact O-N 2.78Å; S546-S548 PolarHBondContact OG-N 2.97Å; S546-S548 PolarHBondContact OG-OG 2.88Å; S546-K549 PolarHBondContact O-N 2.86Å |
| 547 | I | 89.3 | Confident | 83.5 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -74.9 | -16.8 | 178.6 | -54.1 | -43.6 | 0 | 0 | 0 | 112 | L276 L482 G528 V530 K549 A550 | L276-I547 HydrophobicContact CD1-CD1 4.03Å; L276-I547 HydrophobicContact CD1-CG2 4.4Å; L276-I547 HydrophobicContact CD2-CD1 3.34Å; L276-I547 HydrophobicContact CD2-CG1 3.91Å; L276-I547 HydrophobicContact CG-CD1 4.27Å; L482-I547 HydrophobicContact CD2-CD1 4.37Å; L482-I547 HydrophobicContact CD2-CG1 3.57Å; G528-I547 PolarHBondContact O-N 2.8Å; V530-I547 HydrophobicContact CG2-CD1 4.26Å; I547-K549 PolarHBondContact O-N 3.25Å; I547-K549 VanDerWaalsContact O-N 3.07Å; I547-A550 HydrophobicContact CG2-CB 4.14Å; I547-A550 WeakPolarHBondContact O-CB 3.29Å; I547-A550 PolarHBondContact O-N 2.93Å |
| 548 | S | 86.2 | Confident | 82.5 | Confident | 104 Ų | 104 | 70.1 Ų | 70.1 | 73% | 0.727 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -58.1 | -22.2 | 173.1 | 62.8 | 0 | 0 | 0 | 0 | 114 | S546 | S546-S548 PolarHBondContact O-N 2.78Å; S546-S548 PolarHBondContact OG-N 2.97Å; S546-S548 PolarHBondContact OG-OG 2.88Å |
| 549 | K | 83.3 | Confident | 81.3 | Confident | 174 Ų | 174 | 69.8 Ų | 69.8 | 76% | 0.757 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -94.5 | -0.5 | 176.4 | -61.8 | -175.5 | 179.5 | -177.6 | 0 | 113.4 | S546 I547 I551 | S546-K549 PolarHBondContact O-N 2.86Å; I547-K549 PolarHBondContact O-N 3.25Å; I547-K549 VanDerWaalsContact O-N 3.07Å; K549-I551 PolarHBondContact O-N 2.84Å |
| 550 | A | 86.1 | Confident | 80.3 | Confident | 24 Ų | 24 | 67.4 Ų | 67.4 | 20% | 0.198 | 37% | 0.365 | C | S | . | . | trans | -67.5 | 134.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S258 L260 L276 I547 S552 | S258-A550 VanDerWaalsContact O-CA 3.3Å; S258-A550 WeakPolarHBondContact O-CA 3.35Å; S258-A550 VanDerWaalsContact OG-CA 3.28Å; S258-A550 WeakPolarHBondContact OG-CA 2.96Å; S258-A550 WeakPolarHBondContact OG-CB 3.15Å; S258-A550 PolarHBondContact OG-N 3Å; L260-A550 HydrophobicContact CB-CB 4.36Å; L276-A550 HydrophobicContact CD1-CB 4.45Å; I547-A550 HydrophobicContact CG2-CB 4.14Å; I547-A550 WeakPolarHBondContact O-CB 3.29Å; I547-A550 PolarHBondContact O-N 2.93Å; A550-S552 PolarHBondContact O-N 3.31Å | ||
| 551 | I | 84.8 | Confident | 79.8 | Confident | 45 Ų | 45 | 65 Ų | 65 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 122.2 | 171.8 | -59.1 | -175.6 | 0 | 0 | 0 | 108.1 | I36 N37 S258 S259 L260 K549 I553 K556 | I36-I551 HydrophobicContact CG2-CG2 4.18Å; N37-I551 WeakPolarHBondContact OD1-CD1 3.5Å; S258-I551 PolarHBondContact O-N 2.9Å; S258-I551 VanDerWaalsContact O-N 3.1Å; S259-I551 CarbonylContact C-O 3.52Å; S259-I551 WeakPolarHBondContact CA-O 3.45Å; L260-I551 PolarHBondContact N-O 2.86Å; K549-I551 PolarHBondContact O-N 2.84Å; I551-I553 PolarHBondContact O-N 3.38Å; I551-K556 HydrophobicContact CG2-CG 4.31Å |
| 552 | S | 86 | Confident | 79.9 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 15% | 0.154 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 111.4 | 166.4 | 173.4 | 0 | 0 | 0 | 0 | 109 | L260 A550 D555 | L260-S552 WeakPolarHBondContact O-CA 3.43Å; A550-S552 PolarHBondContact O-N 3.31Å; S552-D555 WeakPolarHBondContact CB-OD2 2.81Å; S552-D555 VanDerWaalsContact OG-CG 3.28Å; S552-D555 PolarHBondContact OG-OD2 3.34Å |
| 553 | I | 83 | Confident | 80.1 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -72.3 | -36.3 | -177.3 | -67.8 | -149.1 | 0 | 0 | 0 | 111.1 | I36 L260 I551 D555 K556 L557 I565 | I36-I553 HydrophobicContact CB-CD1 4.41Å; I36-I553 HydrophobicContact CD1-CD1 4.26Å; I36-I553 HydrophobicContact CD1-CG1 4.44Å; I36-I553 HydrophobicContact CD1-CG2 3.95Å; I36-I553 HydrophobicContact CG2-CD1 4.16Å; I36-I553 HydrophobicContact CG2-CG1 4.34Å; L260-I553 PolarHBondContact O-N 2.76Å; I551-I553 PolarHBondContact O-N 3.38Å; I553-D555 PolarHBondContact O-N 3.32Å; I553-K556 PolarHBondContact O-N 2.62Å; I553-L557 HydrophobicContact CG2-CD1 3.22Å; I553-L557 HydrophobicContact CG2-CG 3.62Å; I553-L557 PolarHBondContact O-N 2.9Å; I553-I565 HydrophobicContact CD1-CD1 3.46Å; I553-I565 VanDerWaalsContact CD1-CD1 3.46Å; I553-I565 HydrophobicContact CD1-CG1 3.65Å; I553-I565 HydrophobicContact CG1-CD1 3.91Å; I553-I565 HydrophobicContact CG1-CG1 4.46Å |
| 554 | N | 79.8 | Confident | 80.4 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 20% | 0.203 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30.5 | 179 | -53.6 | 82 | 0 | 0 | 0 | 112.3 | E261 Y262 K556 | E261-N554 WeakPolarHBondContact CA-OD1 3.49Å; Y262-N554 PolarHBondContact N-OD1 2.86Å; Y262-N554 PolarHBondContact O-ND2 3Å; N554-K556 PolarHBondContact O-N 3.36Å |
| 555 | D | 69.5 | Low | 80.6 | Confident | 121 Ų | 121 | 54.7 Ų | 54.7 | 65% | 0.647 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -15.8 | 176.6 | -63.5 | -32.5 | 0 | 0 | 0 | 113.1 | S552 I553 | S552-D555 WeakPolarHBondContact CB-OD2 2.81Å; S552-D555 VanDerWaalsContact OG-CG 3.28Å; S552-D555 PolarHBondContact OG-OD2 3.34Å; I553-D555 PolarHBondContact O-N 3.32Å |
| 556 | K | 67.4 | Low | 80.8 | Confident | 92 Ų | 92 | 53.5 Ų | 53.5 | 40% | 0.4 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -35.7 | -178.8 | -55.8 | -55.7 | 179.4 | -170.1 | 0 | 112 | I36 W204 I551 I553 N554 N558 | I36-K556 HydrophobicContact CD1-CB 4.06Å; W204-K556 HydrophobicContact CZ2-CB 4.47Å; I551-K556 HydrophobicContact CG2-CG 4.31Å; I553-K556 PolarHBondContact O-N 2.62Å; N554-K556 PolarHBondContact O-N 3.36Å; K556-N558 PolarHBondContact O-N 3.15Å |
| 557 | L | 62.2 | Low | 81 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | trans | -87.8 | 99.2 | 171.7 | -59.8 | -179.4 | 0 | 0 | 0 | 108 | R34 I36 I553 C559 P564 | R34-L557 HydrophobicContact CB-CD2 4.48Å; R34-L557 VanDerWaalsContact CD-CD2 3.49Å; I36-L557 HydrophobicContact CD1-CD2 4Å; I36-L557 HydrophobicContact CD1-CG 4.09Å; I553-L557 HydrophobicContact CG2-CD1 3.22Å; I553-L557 HydrophobicContact CG2-CG 3.62Å; I553-L557 PolarHBondContact O-N 2.9Å; L557-C559 PolarHBondContact O-N 3.06Å; L557-P564 HydrophobicContact CD1-CG 3.46Å; L557-P564 VanDerWaalsContact CD1-CG 3.46Å | ||
| 558 | N | 58.9 | Low | 81.3 | Confident | 157 Ų | 157 | 52.4 Ų | 52.4 | 84% | 0.84 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -56.9 | 8.3 | 171.5 | -72.9 | -18.8 | 0 | 0 | 0 | 114.8 | K556 | K556-N558 PolarHBondContact O-N 3.15Š|
| 559 | C | 57.3 | Low | 81.8 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 37% | 0.372 | 25% | 0.249 | S | C | . | . | trans | -126.5 | 101 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 108.8 | L557 E561 | L557-C559 PolarHBondContact O-N 3.06Å; C559-E561 PolarHBondContact O-N 3.25Å | ||
| 560 | S | 63.4 | Low | 82.4 | Confident | 72 Ų | 72 | 39.3 Ų | 39.3 | 50% | 0.503 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.4 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 561 | E | 77.5 | Confident | 82.9 | Confident | 136 Ų | 136 | 38.7 Ų | 38.7 | 64% | 0.636 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | -21.9 | -168.1 | -62.9 | 176.5 | -176.6 | 0 | 0 | 114.3 | C559 | C559-E561 PolarHBondContact O-N 3.25Š|
| 562 | N | 89.2 | Confident | 83.4 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | trans | -71.6 | -35.4 | -173.9 | -69.4 | -0.3 | 0 | 0 | 0 | 112.5 | Y70 R136 R567 | Y70-N562 HydrophobicContact CE2-CB 4.1Å; R136-N562 PolarHBondContact NH1-ND2 3.03Å; N562-R567 PolarHBondContact O-NE 3.4Å | ||
| 563 | L | 93.8 | Very high | 83.9 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | 45.9 | 51.8 | 179.7 | -60 | 171.3 | 0 | 0 | 0 | 114.2 | E261 Y262 D264 L271 I565 H566 R567 | E261-L563 VanDerWaalsContact CD-C 3.49Å; E261-L563 HydrophobicContact CG-CD2 4Å; E261-L563 VanDerWaalsContact OE2-CA 3.29Å; E261-L563 WeakPolarHBondContact OE2-CA 3.26Å; Y262-L563 WeakPolarHBondContact O-CD2 3.3Å; D264-L563 HydrophobicContact CB-CD1 4.03Å; L271-L563 HydrophobicContact CB-CD1 4.09Å; L271-L563 HydrophobicContact CD2-CB 4.32Å; L271-L563 HydrophobicContact CD2-CD1 3.8Å; L271-L563 HydrophobicContact CG-CD1 4.44Å; L563-I565 VanDerWaalsContact C-N 3.31Å; L563-I565 PolarHBondContact O-N 2.94Å; L563-H566 HydrophobicContact CB-CB 4.09Å; L563-H566 WeakPolarHBondContact O-CB 3.4Å; L563-H566 PolarHBondContact O-N 3.12Å; L563-H566 VanDerWaalsContact O-N 3.09Å; L563-R567 WeakPolarHBondContact O-CG 3.42Å; L563-R567 PolarHBondContact O-N 3.46Å; L563-R567 VanDerWaalsContact O-N 3.07Å | ||
| 564 | P | 94.4 | Very high | 84.5 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.1 | -33.8 | -173.5 | 21.6 | -34.9 | 0 | 0 | 0 | 115 | L39 D41 V138 E261 L557 R567 L568 | L39-P564 HydrophobicContact CD2-CB 4.36Å; D41-P564 HydrophobicContact CB-CB 4.4Å; V138-P564 HydrophobicContact CB-CB 4.12Å; V138-P564 HydrophobicContact CG2-CB 3.78Å; E261-P564 WeakPolarHBondContact OE1-CD 3.27Å; E261-P564 WeakPolarHBondContact OE1-CG 3.22Å; L557-P564 HydrophobicContact CD1-CG 3.46Å; L557-P564 VanDerWaalsContact CD1-CG 3.46Å; P564-R567 PolarHBondContact O-N 3.35Å; P564-L568 VanDerWaalsContact O-CB 3.3Å; P564-L568 WeakPolarHBondContact O-CB 3.28Å; P564-L568 PolarHBondContact O-N 3.46Å |
| 565 | I | 95.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.9 | -45.6 | 176.1 | -55.1 | -167.8 | 0 | 0 | 0 | 110.1 | L39 E261 C275 M277 F515 I553 L563 R567 L568 A569 | L39-I565 HydrophobicContact CD1-CG1 4.23Å; E261-I565 HydrophobicContact CB-CB 3.91Å; E261-I565 HydrophobicContact CB-CD1 3.66Å; E261-I565 HydrophobicContact CB-CG1 3.84Å; E261-I565 HydrophobicContact CG-CB 4.48Å; E261-I565 PolarHBondContact OE1-N 2.87Å; E261-I565 WeakPolarHBondContact OE2-CA 3.17Å; E261-I565 WeakPolarHBondContact OE2-CB 3.4Å; E261-I565 PolarHBondContact OE2-N 2.8Å; C275-I565 HydrophobicContact CB-CG2 4.13Å; C275-I565 VanDerWaalsContact SG-CG2 3.59Å; M277-I565 HydrophobicContact CB-CD1 4.1Å; M277-I565 HydrophobicContact CB-CG2 3.82Å; F515-I565 HydrophobicContact CD1-CG2 3.7Å; F515-I565 HydrophobicContact CE1-CG2 3.75Å; I553-I565 HydrophobicContact CD1-CD1 3.46Å; I553-I565 VanDerWaalsContact CD1-CD1 3.46Å; I553-I565 HydrophobicContact CD1-CG1 3.65Å; I553-I565 HydrophobicContact CG1-CD1 3.91Å; I553-I565 HydrophobicContact CG1-CG1 4.46Å; L563-I565 VanDerWaalsContact C-N 3.31Å; L563-I565 PolarHBondContact O-N 2.94Å; I565-R567 VanDerWaalsContact C-N 3.28Å; I565-R567 PolarHBondContact O-N 3.23Å; I565-L568 PolarHBondContact O-N 3.27Å; I565-A569 VanDerWaalsContact O-CB 3.31Å; I565-A569 WeakPolarHBondContact O-CB 3.38Å; I565-A569 PolarHBondContact O-N 2.81Å |
| 566 | H | 96.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -43.2 | 177.9 | -67.5 | 75.5 | 0 | 0 | 0 | 111.3 | E261 I270 L271 M273 C275 F517 L563 G570 | E261-H566 PolarHBondContact O-CE1 2.88Å; E261-H566 IonicContact OE2-CE1 2.74Å; E261-H566 IonicContact OE2-CG 3.99Å; E261-H566 PolarHBondContact OE2-N 3.23Å; E261-H566 IonicContact OE2-ND1 3.8Å; E261-H566 PolarHBondContact OE2-ND1 2.91Å; I270-H566 PolarHBondContact O-CD2 2.86Å; L271-H566 HydrophobicContact CD2-CB 3.86Å; M273-H566 PolarHBondContact O-NE2 3.33Å; C275-H566 VanDerWaalsContact CB-CE1 3.46Å; C275-H566 WeakPolarHBondContact CB-CE1 3.39Å; C275-H566 WeakPolarHBondContact CB-NE2 3.49Å; F517-H566 HydrophobicContact CE1-CB 4.44Å; F517-H566 AromaticContact CE1-CD2 3.61Å; L563-H566 HydrophobicContact CB-CB 4.09Å; L563-H566 WeakPolarHBondContact O-CB 3.4Å; L563-H566 PolarHBondContact O-N 3.12Å; L563-H566 VanDerWaalsContact O-N 3.09Å; H566-G570 PolarHBondContact O-N 3.43Å |
| 567 | R | 96.2 | Very high | 87.7 | Confident | 21 Ų | 21 | 30.9 Ų | 30.9 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 179.1 | -54.9 | -62.9 | -179 | -174.3 | 0 | 111.3 | Y70 V138 N562 L563 P564 I565 G570 N571 L611 I613 | Y70-R567 HydrophobicContact CD1-CB 4.47Å; Y70-R567 HydrophobicContact CD1-CG 4.29Å; Y70-R567 HydrophobicContact CD2-CG 4.46Å; Y70-R567 HydrophobicContact CG-CG 3.97Å; V138-R567 HydrophobicContact CG1-CB 3.96Å; N562-R567 PolarHBondContact O-NE 3.4Å; L563-R567 WeakPolarHBondContact O-CG 3.42Å; L563-R567 PolarHBondContact O-N 3.46Å; L563-R567 VanDerWaalsContact O-N 3.07Å; P564-R567 PolarHBondContact O-N 3.35Å; I565-R567 VanDerWaalsContact C-N 3.28Å; I565-R567 PolarHBondContact O-N 3.23Å; R567-G570 PolarHBondContact O-N 3.04Å; R567-N571 WeakPolarHBondContact O-CB 3.22Å; R567-N571 PolarHBondContact O-N 2.58Å; R567-L611 WeakPolarHBondContact CD-O 3.34Å; R567-L611 VanDerWaalsContact CZ-O 3.32Å; R567-L611 PolarHBondContact NH1-O 2.68Å; R567-I613 HydrophobicContact CB-CD1 3.8Å; R567-I613 HydrophobicContact CB-CG1 4.25Å; R567-I613 WeakPolarHBondContact O-CD1 3.44Å |
| 568 | L | 96.4 | Very high | 89.4 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 178.8 | -175.1 | 63.4 | 0 | 0 | 0 | 112.3 | L39 V138 L140 M277 F515 P564 I565 N571 M572 | L39-L568 HydrophobicContact CD1-CD2 3.72Å; L39-L568 HydrophobicContact CG-CD2 4.44Å; V138-L568 HydrophobicContact CG1-CB 4.06Å; V138-L568 HydrophobicContact CG2-CB 4.18Å; V138-L568 HydrophobicContact CG2-CD2 4.44Å; L140-L568 HydrophobicContact CD2-CD2 3.68Å; L140-L568 HydrophobicContact CG-CD1 4.4Å; L140-L568 HydrophobicContact CG-CD2 3.93Å; M277-L568 HydrophobicContact SD-CD2 4.41Å; F515-L568 HydrophobicContact CE1-CD2 4.35Å; F515-L568 HydrophobicContact CE1-CG 4.49Å; F515-L568 HydrophobicContact CZ-CB 4.37Å; F515-L568 HydrophobicContact CZ-CD2 3.91Å; F515-L568 HydrophobicContact CZ-CG 3.86Å; P564-L568 VanDerWaalsContact O-CB 3.3Å; P564-L568 WeakPolarHBondContact O-CB 3.28Å; P564-L568 PolarHBondContact O-N 3.46Å; I565-L568 PolarHBondContact O-N 3.27Å; L568-N571 PolarHBondContact O-N 3.5Å; L568-M572 PolarHBondContact O-N 3.22Å |
| 569 | A | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V499 F515 F517 I565 M572 R573 | V499-A569 WeakPolarHBondContact CG1-O 3.24Å; F515-A569 HydrophobicContact CB-CB 3.72Å; F515-A569 HydrophobicContact CD1-CB 3.58Å; F515-A569 HydrophobicContact CD2-CB 3.73Å; F515-A569 HydrophobicContact CE1-CB 4.06Å; F515-A569 HydrophobicContact CE2-CB 4.21Å; F515-A569 HydrophobicContact CG-CB 3.38Å; F515-A569 HydrophobicContact CZ-CB 4.36Å; F517-A569 HydrophobicContact CE1-CB 4.32Å; F517-A569 HydrophobicContact CE2-CB 3.82Å; F517-A569 HydrophobicContact CZ-CB 3.41Å; F517-A569 VanDerWaalsContact CZ-CB 3.41Å; I565-A569 VanDerWaalsContact O-CB 3.31Å; I565-A569 WeakPolarHBondContact O-CB 3.38Å; I565-A569 PolarHBondContact O-N 2.81Å; A569-M572 PolarHBondContact O-N 3.2Å; A569-R573 PolarHBondContact O-N 3.03Å |
| 570 | G | 96 | Very high | 92.9 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | H566 R567 M572 R573 M574 | H566-G570 PolarHBondContact O-N 3.43Å; R567-G570 PolarHBondContact O-N 3.04Å; G570-M572 VanDerWaalsContact C-N 3.3Å; G570-M572 PolarHBondContact O-N 3.02Å; G570-R573 WeakPolarHBondContact O-CB 3.29Å; G570-R573 PolarHBondContact O-N 3.41Å; G570-R573 VanDerWaalsContact O-N 3.11Å; G570-M574 WeakPolarHBondContact O-CG 3.33Å; G570-M574 PolarHBondContact O-N 2.84Å |
| 571 | N | 96.1 | Very high | 94.4 | Very high | 11 Ų | 11 | 21.2 Ų | 21.2 | 6% | 0.059 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.2 | -40.7 | 175.8 | -167.8 | 54.4 | 0 | 0 | 0 | 112.2 | A68 R567 L568 R573 M574 N575 | A68-N571 HydrophobicContact CB-CB 3.55Å; R567-N571 WeakPolarHBondContact O-CB 3.22Å; R567-N571 PolarHBondContact O-N 2.58Å; L568-N571 PolarHBondContact O-N 3.5Å; N571-R573 VanDerWaalsContact C-N 3.34Å; N571-R573 PolarHBondContact O-N 3.5Å; N571-M574 HydrophobicContact CB-CE 4.41Å; N571-M574 PolarHBondContact O-N 2.8Å; N571-N575 PolarHBondContact O-N 2.89Å; N571-N575 PolarHBondContact O-ND2 3.24Å |
| 572 | M | 95.5 | Very high | 95.3 | Very high | 47 Ų | 47 | 15 Ų | 15 | 23% | 0.232 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 174.2 | -176.4 | 169.3 | -79.1 | 0 | 0 | 112.2 | L140 V499 P500 F515 L568 A569 G570 N575 E576 | L140-M572 HydrophobicContact CD1-CE 4.31Å; V499-M572 HydrophobicContact CG1-CB 4.36Å; V499-M572 HydrophobicContact CG1-CG 4.37Å; P500-M572 HydrophobicContact CG-SD 4.25Å; F515-M572 HydrophobicContact CD2-SD 4.11Å; F515-M572 HydrophobicContact CE2-CB 4.33Å; F515-M572 HydrophobicContact CE2-CE 4.15Å; F515-M572 HydrophobicContact CE2-SD 3.71Å; L568-M572 PolarHBondContact O-N 3.22Å; A569-M572 PolarHBondContact O-N 3.2Å; G570-M572 VanDerWaalsContact C-N 3.3Å; G570-M572 PolarHBondContact O-N 3.02Å; M572-N575 PolarHBondContact O-N 3.11Å; M572-E576 PolarHBondContact O-N 2.87Å; M572-E576 VanDerWaalsContact O-N 3.13Å |
| 573 | R | 95.7 | Very high | 95.6 | Very high | 57 Ų | 57 | 14.8 Ų | 14.8 | 22% | 0.215 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.7 | -41.3 | 174.8 | 178.4 | 58 | -179.2 | 150 | 10.1 | 112.3 | V499 A569 G570 N571 E576 L577 L607 | V499-R573 HydrophobicContact CG1-CB 3.83Å; V499-R573 HydrophobicContact CG2-CB 4.49Å; A569-R573 PolarHBondContact O-N 3.03Å; G570-R573 WeakPolarHBondContact O-CB 3.29Å; G570-R573 PolarHBondContact O-N 3.41Å; G570-R573 VanDerWaalsContact O-N 3.11Å; N571-R573 VanDerWaalsContact C-N 3.34Å; N571-R573 PolarHBondContact O-N 3.5Å; R573-E576 IonicContact CZ-OE2 2.77Å; R573-E576 IonicContact NH1-OE2 3.44Å; R573-E576 PolarHBondContact NH1-OE2 3.02Å; R573-E576 PolarHBondContact O-N 3.41Å; R573-L577 HydrophobicContact CG-CD1 4.39Å; R573-L577 WeakPolarHBondContact O-CG 3.37Å; R573-L577 PolarHBondContact O-N 3.35Å; R573-L577 VanDerWaalsContact O-N 3.13Å; R573-L607 HydrophobicContact CB-CD2 3.93Å; R573-L607 HydrophobicContact CG-CD2 3.75Å |
| 574 | M | 95.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.7 | -69.5 | -170.6 | -63.8 | 0 | 0 | 111.3 | G570 N571 E576 L577 I578 V604 L607 S608 I613 | G570-M574 WeakPolarHBondContact O-CG 3.33Å; G570-M574 PolarHBondContact O-N 2.84Å; N571-M574 HydrophobicContact CB-CE 4.41Å; N571-M574 PolarHBondContact O-N 2.8Å; M574-E576 PolarHBondContact O-N 3.47Å; M574-L577 WeakPolarHBondContact O-CB 3.41Å; M574-L577 PolarHBondContact O-N 3.22Å; M574-I578 HydrophobicContact CB-CD1 4.47Å; M574-I578 WeakPolarHBondContact O-CB 3.4Å; M574-I578 VanDerWaalsContact O-CG1 3.25Å; M574-I578 WeakPolarHBondContact O-CG1 3.32Å; M574-I578 PolarHBondContact O-N 2.89Å; M574-V604 HydrophobicContact CB-CG1 4.48Å; M574-V604 HydrophobicContact CG-CG1 4.29Å; M574-V604 HydrophobicContact SD-CG1 4.2Å; M574-L607 HydrophobicContact CG-CB 4.32Å; M574-L607 HydrophobicContact CG-CD2 3.62Å; M574-L607 HydrophobicContact CG-CG 4.01Å; M574-L607 HydrophobicContact SD-CB 4.47Å; M574-L607 HydrophobicContact SD-CG 4.37Å; M574-S608 PolarHBondContact SD-OG 3.23Å; M574-I613 HydrophobicContact CE-CB 3.91Å; M574-I613 HydrophobicContact CE-CD1 4.22Å; M574-I613 HydrophobicContact CE-CG2 3.56Å |
| 575 | N | 94.7 | Very high | 95.6 | Very high | 29 Ų | 29 | 16.7 Ų | 16.7 | 16% | 0.155 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 175.7 | -71.8 | -24.5 | 0 | 0 | 0 | 112.5 | N571 M572 L577 I578 D579 | N571-N575 PolarHBondContact O-N 2.89Å; N571-N575 PolarHBondContact O-ND2 3.24Å; M572-N575 PolarHBondContact O-N 3.11Å; N575-L577 VanDerWaalsContact C-N 3.31Å; N575-L577 PolarHBondContact O-N 2.67Å; N575-I578 PolarHBondContact O-N 3.33Å; N575-D579 WeakPolarHBondContact O-CB 3.33Å; N575-D579 PolarHBondContact O-N 3.23Å |
| 576 | E | 94.1 | Very high | 95.4 | Very high | 17 Ų | 17 | 18.4 Ų | 18.4 | 8% | 0.079 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 175.7 | -177.4 | -179.3 | -144 | 0 | 0 | 112.1 | K501 R502 M572 R573 M574 E580 | K501-E576 PolarHBondContact N-OE1 3.39Å; K501-E576 PolarHBondContact N-OE2 3.1Å; K501-E576 VanDerWaalsContact N-OE2 3.14Å; R502-E576 PolarHBondContact N-OE1 3.06Å; M572-E576 PolarHBondContact O-N 2.87Å; M572-E576 VanDerWaalsContact O-N 3.13Å; R573-E576 IonicContact CZ-OE2 2.77Å; R573-E576 IonicContact NH1-OE2 3.44Å; R573-E576 PolarHBondContact NH1-OE2 3.02Å; R573-E576 PolarHBondContact O-N 3.41Å; M574-E576 PolarHBondContact O-N 3.47Å; E576-E580 PolarHBondContact O-N 2.89Å |
| 577 | L | 96.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.7 | -43.2 | 177.1 | -76.4 | 172.8 | 0 | 0 | 0 | 112.2 | R573 M574 N575 E580 Y581 I600 Q603 V604 | R573-L577 HydrophobicContact CG-CD1 4.39Å; R573-L577 WeakPolarHBondContact O-CG 3.37Å; R573-L577 PolarHBondContact O-N 3.35Å; R573-L577 VanDerWaalsContact O-N 3.13Å; M574-L577 WeakPolarHBondContact O-CB 3.41Å; M574-L577 PolarHBondContact O-N 3.22Å; N575-L577 VanDerWaalsContact C-N 3.31Å; N575-L577 PolarHBondContact O-N 2.67Å; L577-E580 WeakPolarHBondContact O-CB 3.24Å; L577-E580 PolarHBondContact O-N 3.37Å; L577-Y581 WeakPolarHBondContact O-CB 3.36Å; L577-Y581 PolarHBondContact O-N 3.49Å; L577-I600 HydrophobicContact CB-CG2 4Å; L577-I600 HydrophobicContact CD2-CG2 4.22Å; L577-I600 WeakPolarHBondContact O-CG2 3.44Å; L577-Q603 HydrophobicContact CD1-CB 3.95Å; L577-V604 HydrophobicContact CB-CG2 3.73Å; L577-V604 HydrophobicContact CD1-CG2 4Å |
| 578 | I | 96.2 | Very high | 94.8 | Very high | 17 Ų | 17 | 29.2 Ų | 29.2 | 9% | 0.087 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.2 | -40.1 | -179.9 | -70.5 | 166.1 | 0 | 0 | 0 | 110.9 | M574 N575 E580 Y581 H582 V604 F617 | M574-I578 HydrophobicContact CB-CD1 4.47Å; M574-I578 WeakPolarHBondContact O-CB 3.4Å; M574-I578 VanDerWaalsContact O-CG1 3.25Å; M574-I578 WeakPolarHBondContact O-CG1 3.32Å; M574-I578 PolarHBondContact O-N 2.89Å; N575-I578 PolarHBondContact O-N 3.33Å; I578-E580 VanDerWaalsContact C-N 3.29Å; I578-E580 PolarHBondContact O-N 2.9Å; I578-Y581 WeakPolarHBondContact O-CB 3.17Å; I578-Y581 PolarHBondContact O-N 2.77Å; I578-H582 WeakPolarHBondContact CG2-CE1 3.35Å; I578-H582 VanDerWaalsContact O-CG 3.3Å; I578-H582 PolarHBondContact O-N 2.8Å; I578-H582 PolarHBondContact O-ND1 3.46Å; I578-V604 HydrophobicContact CD1-CG1 4.18Å; I578-V604 HydrophobicContact CG1-CG1 4.35Å; I578-V604 HydrophobicContact CG1-CG2 4.09Å; I578-F617 HydrophobicContact CG1-CE2 4.47Å |
| 579 | D | 94.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -39.6 | 174.5 | -67.8 | -15.2 | 0 | 0 | 0 | 111.3 | I411 R442 N575 S583 | I411-D579 WeakPolarHBondContact CG2-OD1 3.44Å; R442-D579 IonicContact CZ-OD1 2.88Å; R442-D579 IonicContact CZ-OD2 3.82Å; R442-D579 IonicContact NE-OD1 2.84Å; R442-D579 IonicContact NE-OD2 2.71Å; R442-D579 PolarHBondContact NE-OD2 2.9Å; R442-D579 IonicContact NH2-OD1 3.13Å; R442-D579 PolarHBondContact NH2-OD1 2.91Å; R442-D579 IonicContact NH2-OD2 3.15Å; R442-D579 PolarHBondContact NH2-OD2 3.48Å; N575-D579 WeakPolarHBondContact O-CB 3.33Å; N575-D579 PolarHBondContact O-N 3.23Å; D579-S583 PolarHBondContact O-N 2.85Å |
| 580 | E | 95.1 | Very high | 94.3 | Very high | 45 Ų | 45 | 37.8 Ų | 37.8 | 21% | 0.21 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.7 | -44.6 | 174.7 | -173.7 | 160.5 | -128 | 0 | 0 | 111.4 | R502 E576 L577 I578 H582 S583 I584 I600 | R502-E580 IonicContact NH2-OE1 3.79Å; R502-E580 PolarHBondContact NH2-OE1 2.95Å; E576-E580 PolarHBondContact O-N 2.89Å; L577-E580 WeakPolarHBondContact O-CB 3.24Å; L577-E580 PolarHBondContact O-N 3.37Å; I578-E580 VanDerWaalsContact C-N 3.29Å; I578-E580 PolarHBondContact O-N 2.9Å; E580-H582 PolarHBondContact O-N 3.09Å; E580-S583 PolarHBondContact O-N 2.81Å; E580-S583 VanDerWaalsContact O-N 3.13Å; E580-S583 PolarHBondContact O-OG 2.85Å; E580-I584 HydrophobicContact CG-CD1 4.11Å; E580-I584 WeakPolarHBondContact O-CG1 3.46Å; E580-I584 PolarHBondContact O-N 2.83Å; E580-I600 HydrophobicContact CB-CD1 4.47Å; E580-I600 HydrophobicContact CG-CD1 4Å |
| 581 | Y | 96.6 | Very high | 94.2 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.9 | -51 | 174 | -177 | -91.3 | 0 | 0 | 0 | 111.8 | L577 I578 S583 I584 Q585 L597 I600 R601 F617 | L577-Y581 WeakPolarHBondContact O-CB 3.36Å; L577-Y581 PolarHBondContact O-N 3.49Å; I578-Y581 WeakPolarHBondContact O-CB 3.17Å; I578-Y581 PolarHBondContact O-N 2.77Å; Y581-S583 VanDerWaalsContact C-N 3.29Å; Y581-S583 PolarHBondContact O-N 2.86Å; Y581-I584 PolarHBondContact O-N 2.84Å; Y581-Q585 HydrophobicContact CD1-CG 4.14Å; Y581-Q585 HydrophobicContact CE1-CG 3.81Å; Y581-Q585 VanDerWaalsContact CE1-NE2 3.27Å; Y581-Q585 VanDerWaalsContact CE1-OE1 3.31Å; Y581-Q585 WeakPolarHBondContact O-CG 3.2Å; Y581-Q585 PolarHBondContact O-N 3.02Å; Y581-Q585 PolarHBondContact OH-NE2 2.96Å; Y581-L597 HydrophobicContact CD1-CD2 4.39Å; Y581-L597 HydrophobicContact CD2-CB 4.28Å; Y581-L597 HydrophobicContact CD2-CD2 3.42Å; Y581-L597 VanDerWaalsContact CD2-CD2 3.42Å; Y581-L597 HydrophobicContact CD2-CG 4.46Å; Y581-L597 HydrophobicContact CE1-CD2 4.44Å; Y581-L597 HydrophobicContact CE2-CB 3.82Å; Y581-L597 HydrophobicContact CE2-CD2 3.48Å; Y581-L597 VanDerWaalsContact CE2-CD2 3.48Å; Y581-L597 HydrophobicContact CE2-CG 4.22Å; Y581-L597 WeakPolarHBondContact CE2-O 3.42Å; Y581-L597 HydrophobicContact CG-CD2 3.88Å; Y581-L597 WeakPolarHBondContact O-CD2 3.39Å; Y581-I600 HydrophobicContact CD2-CB 4.26Å; Y581-I600 HydrophobicContact CD2-CG2 4.09Å; Y581-I600 HydrophobicContact CG-CG2 4.44Å; Y581-R601 HydrophobicContact CE2-CB 4.34Å; Y581-F617 AromaticContact CD1-CZ 3.97Å; Y581-F617 HydrophobicContact CD1-CZ 3.97Å; Y581-F617 HydrophobicContact CD2-CZ 4.49Å; Y581-F617 HydrophobicContact CE1-CE1 4.31Å; Y581-F617 AromaticContact CE1-CZ 3.69Å; Y581-F617 HydrophobicContact CE1-CZ 3.69Å; Y581-F617 HydrophobicContact CE2-CZ 4.24Å; Y581-F617 HydrophobicContact CG-CZ 4.38Å; Y581-F617 AromaticContact CZ-CZ 3.87Å |
| 582 | H | 95.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -34.3 | 178.6 | -63.6 | 157.1 | 0 | 0 | 0 | 112.6 | D408 I578 E580 Q585 K616 | D408-H582 VanDerWaalsContact CB-CE1 3.49Å; D408-H582 WeakPolarHBondContact CB-CE1 3.3Å; D408-H582 IonicContact OD1-CE1 3.86Å; D408-H582 PolarHBondContact OD1-CE1 3.13Å; D408-H582 IonicContact OD1-ND1 3.22Å; D408-H582 IonicContact OD1-NE2 2.71Å; D408-H582 IonicContact OD2-CE1 3.41Å; D408-H582 IonicContact OD2-NE2 2.79Å; I578-H582 WeakPolarHBondContact CG2-CE1 3.35Å; I578-H582 VanDerWaalsContact O-CG 3.3Å; I578-H582 PolarHBondContact O-N 2.8Å; I578-H582 PolarHBondContact O-ND1 3.46Å; E580-H582 PolarHBondContact O-N 3.09Å; H582-Q585 PolarHBondContact CD2-OE1 2.86Å; H582-Q585 PolarHBondContact O-N 2.9Å; H582-K616 PolarHBondContact NE2-NZ 2.81Å |
| 583 | S | 95.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68 | -36.4 | 176.2 | 75.2 | 0 | 0 | 0 | 0 | 112.9 | D579 E580 Y581 | D579-S583 PolarHBondContact O-N 2.85Å; E580-S583 PolarHBondContact O-N 2.81Å; E580-S583 VanDerWaalsContact O-N 3.13Å; E580-S583 PolarHBondContact O-OG 2.85Å; Y581-S583 VanDerWaalsContact C-N 3.29Å; Y581-S583 PolarHBondContact O-N 2.86Å |
| 584 | I | 95.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.046 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.5 | -36.5 | 177.6 | -63.8 | 159.8 | 0 | 0 | 0 | 110.5 | E580 Y581 L586 N587 N593 E596 L597 I600 | E580-I584 HydrophobicContact CG-CD1 4.11Å; E580-I584 WeakPolarHBondContact O-CG1 3.46Å; E580-I584 PolarHBondContact O-N 2.83Å; Y581-I584 PolarHBondContact O-N 2.84Å; I584-L586 PolarHBondContact O-N 2.84Å; I584-N587 WeakPolarHBondContact O-CB 3.4Å; I584-N587 PolarHBondContact O-N 2.89Å; I584-N593 HydrophobicContact CG2-CB 3.9Å; I584-E596 HydrophobicContact CD1-CB 4.48Å; I584-E596 VanDerWaalsContact CD1-CD 3.42Å; I584-E596 HydrophobicContact CD1-CG 3.73Å; I584-L597 HydrophobicContact CB-CD2 3.84Å; I584-L597 HydrophobicContact CB-CG 4.38Å; I584-L597 HydrophobicContact CG2-CD1 4.25Å; I584-L597 HydrophobicContact CG2-CD2 3.78Å; I584-L597 HydrophobicContact CG2-CG 3.75Å; I584-I600 HydrophobicContact CD1-CD1 3.59Å |
| 585 | Q | 93.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 16% | 0.164 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.8 | -35 | 176.5 | -81 | -171.4 | -52.7 | 0 | 0 | 113 | H177 Y581 H582 N587 M589 L597 | H177-Q585 PolarHBondContact CE1-O 2.87Å; H177-Q585 PolarHBondContact NE2-O 3.15Å; Y581-Q585 HydrophobicContact CD1-CG 4.14Å; Y581-Q585 HydrophobicContact CE1-CG 3.81Å; Y581-Q585 VanDerWaalsContact CE1-NE2 3.27Å; Y581-Q585 VanDerWaalsContact CE1-OE1 3.31Å; Y581-Q585 WeakPolarHBondContact O-CG 3.2Å; Y581-Q585 PolarHBondContact O-N 3.02Å; Y581-Q585 PolarHBondContact OH-NE2 2.96Å; H582-Q585 PolarHBondContact CD2-OE1 2.86Å; H582-Q585 PolarHBondContact O-N 2.9Å; Q585-N587 VanDerWaalsContact C-N 3.28Å; Q585-N587 PolarHBondContact O-N 2.82Å; Q585-M589 VanDerWaalsContact O-CE 3.26Å; Q585-M589 WeakPolarHBondContact O-CE 3.37Å; Q585-L597 HydrophobicContact CG-CD1 4.22Å; Q585-L597 HydrophobicContact CG-CD2 3.78Å |
| 586 | L | 92.3 | Very high | 94.3 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 18% | 0.183 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -10.6 | 179.5 | -65 | 178.2 | 0 | 0 | 0 | 114.5 | K176 Y376 G412 L413 I584 | K176-L586 HydrophobicContact CB-CD2 4.28Å; K176-L586 HydrophobicContact CG-CD2 4.25Å; Y376-L586 HydrophobicContact CE2-CD1 4.33Å; Y376-L586 HydrophobicContact CE2-CD2 4.29Å; G412-L586 VanDerWaalsContact C-CD1 3.43Å; L413-L586 HydrophobicContact CB-CD1 3.94Å; I584-L586 PolarHBondContact O-N 2.84Å |
| 587 | N | 90.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 57 Ų | 57 | 38% | 0.38 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -80.5 | 164.5 | 176.3 | -69.1 | -33.4 | 0 | 0 | 0 | 111.5 | I584 Q585 M589 | I584-N587 WeakPolarHBondContact O-CB 3.4Å; I584-N587 PolarHBondContact O-N 2.89Å; Q585-N587 VanDerWaalsContact C-N 3.28Å; Q585-N587 PolarHBondContact O-N 2.82Å; N587-M589 PolarHBondContact O-N 2.94Å |
| 588 | E | 87.5 | Confident | 94.5 | Very high | 178 Ų | 178 | 62.9 Ų | 62.9 | 83% | 0.832 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 130.5 | 170.8 | -66.9 | -177.8 | 174.2 | 0 | 0 | 110.6 | N590 N593 | E588-N590 PolarHBondContact O-N 2.84Å; E588-N593 PolarHBondContact O-ND2 3.46Å |
| 589 | M | 90.2 | Very high | 94.6 | Very high | 107 Ų | 107 | 65.4 Ų | 65.4 | 53% | 0.527 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 120.5 | 179.6 | -75.4 | -52.6 | 148.9 | 0 | 0 | 111.6 | Q585 N587 N593 L597 | Q585-M589 VanDerWaalsContact O-CE 3.26Å; Q585-M589 WeakPolarHBondContact O-CE 3.37Å; N587-M589 PolarHBondContact O-N 2.94Å; M589-N593 HydrophobicContact SD-CB 4.27Å; M589-L597 HydrophobicContact CE-CD1 3.76Å; M589-L597 HydrophobicContact SD-CD1 3.95Å |
| 590 | N | 93.5 | Very high | 94.7 | Very high | 81 Ų | 81 | 65.5 Ų | 65.5 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | trans | -133.3 | 169.6 | 170.7 | 63.6 | 30.4 | 0 | 0 | 0 | 109 | E588 T592 N593 E594 | E588-N590 PolarHBondContact O-N 2.84Å; N590-T592 PolarHBondContact O-N 2.78Å; N590-T592 VanDerWaalsContact O-N 3.16Å; N590-T592 WeakPolarHBondContact OD1-CB 3.39Å; N590-T592 PolarHBondContact OD1-N 2.86Å; N590-N593 PolarHBondContact O-N 2.9Å; N590-N593 WeakPolarHBondContact OD1-CB 3.39Å; N590-N593 VanDerWaalsContact OD1-CG 3.3Å; N590-N593 PolarHBondContact OD1-N 3.24Å; N590-E594 PolarHBondContact O-N 2.86Å | ||
| 591 | E | 93.1 | Very high | 94.9 | Very high | 165 Ų | 165 | 65.7 Ų | 65.7 | 77% | 0.771 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -57.4 | -32.3 | -177.8 | -66 | -178.8 | 172.5 | 0 | 0 | 113 | T595 | E591-T595 WeakPolarHBondContact O-CB 3.49Å; E591-T595 PolarHBondContact O-N 3.15Å; E591-T595 VanDerWaalsContact O-N 3.08Å; E591-T595 PolarHBondContact O-OG1 2.71Å |
| 592 | T | 95.1 | Very high | 95 | Very high | 99 Ų | 99 | 69.3 Ų | 69.3 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.1 | -52 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | N590 E594 T595 E596 | N590-T592 PolarHBondContact O-N 2.78Å; N590-T592 VanDerWaalsContact O-N 3.16Å; N590-T592 WeakPolarHBondContact OD1-CB 3.39Å; N590-T592 PolarHBondContact OD1-N 2.86Å; T592-E594 VanDerWaalsContact C-N 3.33Å; T592-E594 PolarHBondContact O-N 2.94Å; T592-T595 PolarHBondContact O-N 2.82Å; T592-E596 PolarHBondContact O-N 3.29Å |
| 593 | N | 94.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 72.8 Ų | 72.8 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 178.7 | -70.5 | -12.9 | 0 | 0 | 0 | 110.9 | I584 E588 M589 N590 T595 E596 L597 | I584-N593 HydrophobicContact CG2-CB 3.9Å; E588-N593 PolarHBondContact O-ND2 3.46Å; M589-N593 HydrophobicContact SD-CB 4.27Å; N590-N593 PolarHBondContact O-N 2.9Å; N590-N593 WeakPolarHBondContact OD1-CB 3.39Å; N590-N593 VanDerWaalsContact OD1-CG 3.3Å; N590-N593 PolarHBondContact OD1-N 3.24Å; N593-T595 VanDerWaalsContact C-N 3.34Å; N593-T595 PolarHBondContact O-N 3.32Å; N593-E596 PolarHBondContact O-N 3.11Å; N593-L597 WeakPolarHBondContact O-CB 3.28Å; N593-L597 VanDerWaalsContact O-CG 3.23Å; N593-L597 WeakPolarHBondContact O-CG 3.49Å; N593-L597 PolarHBondContact O-N 2.88Å |
| 594 | E | 95.4 | Very high | 95.2 | Very high | 96 Ų | 96 | 71.9 Ų | 71.9 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 176.7 | -168.7 | -173 | 160.5 | 0 | 0 | 112 | N590 T592 K598 | N590-E594 PolarHBondContact O-N 2.86Å; T592-E594 VanDerWaalsContact C-N 3.33Å; T592-E594 PolarHBondContact O-N 2.94Å; E594-K598 WeakPolarHBondContact O-CG 3.4Å; E594-K598 PolarHBondContact O-N 2.84Å; E594-K598 VanDerWaalsContact O-N 3.08Å; E594-K598 WeakPolarHBondContact OE1-CE 3.33Å; E594-K598 IonicContact OE1-NZ 2.94Å; E594-K598 PolarHBondContact OE1-NZ 2.9Å |
| 595 | T | 97.4 | Very high | 95.3 | Very high | 86 Ų | 86 | 72.5 Ų | 72.5 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | E591 T592 N593 T599 | E591-T595 WeakPolarHBondContact O-CB 3.49Å; E591-T595 PolarHBondContact O-N 3.15Å; E591-T595 VanDerWaalsContact O-N 3.08Å; E591-T595 PolarHBondContact O-OG1 2.71Å; T592-T595 PolarHBondContact O-N 2.82Å; N593-T595 VanDerWaalsContact C-N 3.34Å; N593-T595 PolarHBondContact O-N 3.32Å; T595-T599 WeakPolarHBondContact O-CB 3.2Å; T595-T599 PolarHBondContact O-N 2.78Å; T595-T599 PolarHBondContact O-OG1 3.42Å |
| 596 | E | 97.1 | Very high | 95.5 | Very high | 79 Ų | 79 | 74.3 Ų | 74.3 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 178 | -167.6 | 171.9 | -170.2 | 0 | 0 | 111.7 | I584 T592 N593 K598 T599 I600 | I584-E596 HydrophobicContact CD1-CB 4.48Å; I584-E596 VanDerWaalsContact CD1-CD 3.42Å; I584-E596 HydrophobicContact CD1-CG 3.73Å; T592-E596 PolarHBondContact O-N 3.29Å; N593-E596 PolarHBondContact O-N 3.11Å; E596-K598 PolarHBondContact O-N 2.93Å; E596-T599 WeakPolarHBondContact O-CB 3.47Å; E596-T599 PolarHBondContact O-N 2.78Å; E596-T599 VanDerWaalsContact O-N 3.12Å; E596-I600 HydrophobicContact CG-CD1 4.08Å; E596-I600 WeakPolarHBondContact O-CG1 3.25Å; E596-I600 PolarHBondContact O-N 3.4Å |
| 597 | L | 97.2 | Very high | 95.7 | Very high | 18 Ų | 18 | 73.7 Ų | 73.7 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58 | -45.9 | 174.9 | -72.1 | 172.4 | 0 | 0 | 0 | 111.9 | Y581 I584 Q585 M589 N593 T599 I600 R601 | Y581-L597 HydrophobicContact CD1-CD2 4.39Å; Y581-L597 HydrophobicContact CD2-CB 4.28Å; Y581-L597 HydrophobicContact CD2-CD2 3.42Å; Y581-L597 VanDerWaalsContact CD2-CD2 3.42Å; Y581-L597 HydrophobicContact CD2-CG 4.46Å; Y581-L597 HydrophobicContact CE1-CD2 4.44Å; Y581-L597 HydrophobicContact CE2-CB 3.82Å; Y581-L597 HydrophobicContact CE2-CD2 3.48Å; Y581-L597 VanDerWaalsContact CE2-CD2 3.48Å; Y581-L597 HydrophobicContact CE2-CG 4.22Å; Y581-L597 WeakPolarHBondContact CE2-O 3.42Å; Y581-L597 HydrophobicContact CG-CD2 3.88Å; Y581-L597 WeakPolarHBondContact O-CD2 3.39Å; I584-L597 HydrophobicContact CB-CD2 3.84Å; I584-L597 HydrophobicContact CB-CG 4.38Å; I584-L597 HydrophobicContact CG2-CD1 4.25Å; I584-L597 HydrophobicContact CG2-CD2 3.78Å; I584-L597 HydrophobicContact CG2-CG 3.75Å; Q585-L597 HydrophobicContact CG-CD1 4.22Å; Q585-L597 HydrophobicContact CG-CD2 3.78Å; M589-L597 HydrophobicContact CE-CD1 3.76Å; M589-L597 HydrophobicContact SD-CD1 3.95Å; N593-L597 WeakPolarHBondContact O-CB 3.28Å; N593-L597 VanDerWaalsContact O-CG 3.23Å; N593-L597 WeakPolarHBondContact O-CG 3.49Å; N593-L597 PolarHBondContact O-N 2.88Å; L597-T599 VanDerWaalsContact C-N 3.31Å; L597-T599 PolarHBondContact O-N 2.82Å; L597-I600 PolarHBondContact O-N 2.75Å; L597-R601 WeakPolarHBondContact O-CB 3.41Å; L597-R601 PolarHBondContact O-N 3.36Å |
| 598 | K | 97.7 | Very high | 96.1 | Very high | 128 Ų | 128 | 70.3 Ų | 70.3 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.2 | -41.9 | 175.2 | -74.3 | 174.3 | -174.4 | 168.7 | 0 | 111.7 | E594 E596 Q602 | E594-K598 WeakPolarHBondContact O-CG 3.4Å; E594-K598 PolarHBondContact O-N 2.84Å; E594-K598 VanDerWaalsContact O-N 3.08Å; E594-K598 WeakPolarHBondContact OE1-CE 3.33Å; E594-K598 IonicContact OE1-NZ 2.94Å; E594-K598 PolarHBondContact OE1-NZ 2.9Å; E596-K598 PolarHBondContact O-N 2.93Å; K598-Q602 WeakPolarHBondContact O-CB 3.16Å; K598-Q602 PolarHBondContact O-N 2.85Å |
| 599 | T | 98.4 | Very high | 96.5 | Very high | 70 Ų | 70 | 64 Ų | 64 | 43% | 0.429 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 179.8 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | T595 E596 L597 Q603 | T595-T599 WeakPolarHBondContact O-CB 3.2Å; T595-T599 PolarHBondContact O-N 2.78Å; T595-T599 PolarHBondContact O-OG1 3.42Å; E596-T599 WeakPolarHBondContact O-CB 3.47Å; E596-T599 PolarHBondContact O-N 2.78Å; E596-T599 VanDerWaalsContact O-N 3.12Å; L597-T599 VanDerWaalsContact C-N 3.31Å; L597-T599 PolarHBondContact O-N 2.82Å; T599-Q603 WeakPolarHBondContact O-CG 3.29Å; T599-Q603 PolarHBondContact O-N 3.43Å; T599-Q603 VanDerWaalsContact O-N 3.13Å |
| 600 | I | 98.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 178.1 | -69.3 | 169.3 | 0 | 0 | 0 | 110.4 | L577 E580 Y581 I584 E596 L597 Q602 Q603 V604 | L577-I600 HydrophobicContact CB-CG2 4Å; L577-I600 HydrophobicContact CD2-CG2 4.22Å; L577-I600 WeakPolarHBondContact O-CG2 3.44Å; E580-I600 HydrophobicContact CB-CD1 4.47Å; E580-I600 HydrophobicContact CG-CD1 4Å; Y581-I600 HydrophobicContact CD2-CB 4.26Å; Y581-I600 HydrophobicContact CD2-CG2 4.09Å; Y581-I600 HydrophobicContact CG-CG2 4.44Å; I584-I600 HydrophobicContact CD1-CD1 3.59Å; E596-I600 HydrophobicContact CG-CD1 4.08Å; E596-I600 WeakPolarHBondContact O-CG1 3.25Å; E596-I600 PolarHBondContact O-N 3.4Å; L597-I600 PolarHBondContact O-N 2.75Å; I600-Q602 PolarHBondContact O-N 3.42Å; I600-Q603 WeakPolarHBondContact O-CB 3.49Å; I600-Q603 PolarHBondContact O-N 2.83Å; I600-V604 HydrophobicContact CG2-CG2 4.47Å; I600-V604 WeakPolarHBondContact O-CG2 3.27Å; I600-V604 PolarHBondContact O-N 2.76Å |
| 601 | R | 97.8 | Very high | 96.9 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 19% | 0.185 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.6 | -50.4 | 176.8 | -178 | -176.1 | -178.3 | 119.1 | -7.9 | 111.6 | E180 Y581 L597 Q603 V604 E605 F617 | E180-R601 IonicContact OE1-CZ 3.6Å; E180-R601 VanDerWaalsContact OE1-CZ 3.22Å; E180-R601 IonicContact OE1-NH1 2.75Å; E180-R601 PolarHBondContact OE1-NH1 3.43Å; E180-R601 IonicContact OE1-NH2 2.67Å; E180-R601 PolarHBondContact OE1-NH2 3.42Å; E180-R601 IonicContact OE2-CZ 2.64Å; E180-R601 IonicContact OE2-NH1 2.89Å; E180-R601 PolarHBondContact OE2-NH1 2.93Å; E180-R601 IonicContact OE2-NH2 2.66Å; Y581-R601 HydrophobicContact CE2-CB 4.34Å; L597-R601 WeakPolarHBondContact O-CB 3.41Å; L597-R601 PolarHBondContact O-N 3.36Å; R601-Q603 VanDerWaalsContact C-N 3.29Å; R601-Q603 PolarHBondContact O-N 2.81Å; R601-V604 PolarHBondContact O-N 3.18Å; R601-V604 VanDerWaalsContact O-N 3.09Å; R601-E605 HydrophobicContact CG-CG 4.37Å; R601-E605 IonicContact CZ-OE1 3.38Å; R601-E605 IonicContact NE-OE1 2.73Å; R601-E605 PolarHBondContact NE-OE1 3.4Å; R601-E605 IonicContact NH2-OE1 3.57Å; R601-E605 PolarHBondContact NH2-OE1 3.28Å; R601-E605 PolarHBondContact O-N 3.4Å; R601-F617 HydrophobicContact CG-CD1 4.42Å; R601-F617 HydrophobicContact CG-CD2 4.09Å; R601-F617 HydrophobicContact CG-CE2 4.35Å; R601-F617 HydrophobicContact CG-CG 4.13Å |
| 602 | Q | 98.4 | Very high | 97 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 179.1 | -172.2 | 65.6 | 55.7 | 0 | 0 | 111.6 | K598 I600 V604 E605 D606 | K598-Q602 WeakPolarHBondContact O-CB 3.16Å; K598-Q602 PolarHBondContact O-N 2.85Å; I600-Q602 PolarHBondContact O-N 3.42Å; Q602-V604 VanDerWaalsContact C-N 3.33Å; Q602-V604 PolarHBondContact O-N 3.39Å; Q602-E605 PolarHBondContact O-N 3.43Å; Q602-D606 PolarHBondContact NE2-OD1 3.18Å; Q602-D606 VanDerWaalsContact O-CB 3.3Å; Q602-D606 WeakPolarHBondContact O-CB 3.35Å; Q602-D606 PolarHBondContact O-N 3.29Å |
| 603 | Q | 97.6 | Very high | 97.1 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 36% | 0.36 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.4 | -40.7 | 176.2 | -73.8 | 177.5 | 43.8 | 0 | 0 | 112.5 | L577 T599 I600 R601 L607 | L577-Q603 HydrophobicContact CD1-CB 3.95Å; T599-Q603 WeakPolarHBondContact O-CG 3.29Å; T599-Q603 PolarHBondContact O-N 3.43Å; T599-Q603 VanDerWaalsContact O-N 3.13Å; I600-Q603 WeakPolarHBondContact O-CB 3.49Å; I600-Q603 PolarHBondContact O-N 2.83Å; R601-Q603 VanDerWaalsContact C-N 3.29Å; R601-Q603 PolarHBondContact O-N 2.81Å; Q603-L607 WeakPolarHBondContact O-CB 3.34Å; Q603-L607 PolarHBondContact O-N 2.92Å |
| 604 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.6 | -47.9 | 177.2 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | M574 L577 I578 I600 R601 Q602 D606 L607 S608 F617 | M574-V604 HydrophobicContact CB-CG1 4.48Å; M574-V604 HydrophobicContact CG-CG1 4.29Å; M574-V604 HydrophobicContact SD-CG1 4.2Å; L577-V604 HydrophobicContact CB-CG2 3.73Å; L577-V604 HydrophobicContact CD1-CG2 4Å; I578-V604 HydrophobicContact CD1-CG1 4.18Å; I578-V604 HydrophobicContact CG1-CG1 4.35Å; I578-V604 HydrophobicContact CG1-CG2 4.09Å; I600-V604 HydrophobicContact CG2-CG2 4.47Å; I600-V604 WeakPolarHBondContact O-CG2 3.27Å; I600-V604 PolarHBondContact O-N 2.76Å; R601-V604 PolarHBondContact O-N 3.18Å; R601-V604 VanDerWaalsContact O-N 3.09Å; Q602-V604 VanDerWaalsContact C-N 3.33Å; Q602-V604 PolarHBondContact O-N 3.39Å; V604-D606 PolarHBondContact O-N 2.88Å; V604-L607 PolarHBondContact O-N 3.25Å; V604-S608 VanDerWaalsContact O-CB 3.31Å; V604-S608 WeakPolarHBondContact O-CB 3.44Å; V604-S608 PolarHBondContact O-N 3.06Å; V604-F617 HydrophobicContact CB-CD2 4.07Å; V604-F617 HydrophobicContact CG1-CD2 3.82Å; V604-F617 HydrophobicContact CG1-CE2 4.44Å |
| 605 | E | 98.2 | Very high | 97.2 | Very high | 22 Ų | 22 | 42 Ų | 42 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 178.6 | -71.7 | 176.8 | 172.8 | 0 | 0 | 112 | R601 Q602 L607 S608 C609 F617 T618 | R601-E605 HydrophobicContact CG-CG 4.37Å; R601-E605 IonicContact CZ-OE1 3.38Å; R601-E605 IonicContact NE-OE1 2.73Å; R601-E605 PolarHBondContact NE-OE1 3.4Å; R601-E605 IonicContact NH2-OE1 3.57Å; R601-E605 PolarHBondContact NH2-OE1 3.28Å; R601-E605 PolarHBondContact O-N 3.4Å; Q602-E605 PolarHBondContact O-N 3.43Å; E605-L607 PolarHBondContact O-N 2.93Å; E605-S608 PolarHBondContact O-N 3.46Å; E605-C609 WeakPolarHBondContact O-CB 3.49Å; E605-C609 PolarHBondContact O-N 3.45Å; E605-C609 PolarHBondContact O-SG 3.13Å; E605-F617 HydrophobicContact CG-CB 3.8Å; E605-T618 HydrophobicContact CB-CG2 4.2Å; E605-T618 HydrophobicContact CG-CG2 4.01Å |
| 606 | D | 97.4 | Very high | 96.9 | Very high | 72 Ų | 72 | 38.6 Ų | 38.6 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 177.5 | -73 | -14.3 | 0 | 0 | 0 | 111.2 | Q602 V604 C609 Q610 | Q602-D606 PolarHBondContact NE2-OD1 3.18Å; Q602-D606 VanDerWaalsContact O-CB 3.3Å; Q602-D606 WeakPolarHBondContact O-CB 3.35Å; Q602-D606 PolarHBondContact O-N 3.29Å; V604-D606 PolarHBondContact O-N 2.88Å; D606-C609 PolarHBondContact O-N 3.34Å; D606-Q610 VanDerWaalsContact O-CB 3.32Å; D606-Q610 WeakPolarHBondContact O-CB 3.27Å; D606-Q610 WeakPolarHBondContact O-CG 3.37Å; D606-Q610 PolarHBondContact O-N 3.43Å |
| 607 | L | 96.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 34.9 Ų | 34.9 | 12% | 0.12 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | -179.6 | -175.7 | 58.2 | 0 | 0 | 0 | 111.5 | I270 R573 M574 Q603 V604 E605 L611 | I270-L607 HydrophobicContact CD1-CD1 3.32Å; R573-L607 HydrophobicContact CB-CD2 3.93Å; R573-L607 HydrophobicContact CG-CD2 3.75Å; M574-L607 HydrophobicContact CG-CB 4.32Å; M574-L607 HydrophobicContact CG-CD2 3.62Å; M574-L607 HydrophobicContact CG-CG 4.01Å; M574-L607 HydrophobicContact SD-CB 4.47Å; M574-L607 HydrophobicContact SD-CG 4.37Å; Q603-L607 WeakPolarHBondContact O-CB 3.34Å; Q603-L607 PolarHBondContact O-N 2.92Å; V604-L607 PolarHBondContact O-N 3.25Å; E605-L607 PolarHBondContact O-N 2.93Å; L607-L611 HydrophobicContact CD1-CD1 3.59Å; L607-L611 HydrophobicContact CD1-CG 4.09Å; L607-L611 HydrophobicContact CG-CD1 4Å; L607-L611 VanDerWaalsContact O-CB 3.26Å; L607-L611 WeakPolarHBondContact O-CB 3.17Å; L607-L611 WeakPolarHBondContact O-CG 3.47Å; L607-L611 PolarHBondContact O-N 3.18Å |
| 608 | S | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.8 | -49.2 | 174.2 | -119.3 | 0 | 0 | 0 | 0 | 111.1 | M574 V604 E605 L611 N612 I613 S615 T618 | M574-S608 PolarHBondContact SD-OG 3.23Å; V604-S608 VanDerWaalsContact O-CB 3.31Å; V604-S608 WeakPolarHBondContact O-CB 3.44Å; V604-S608 PolarHBondContact O-N 3.06Å; E605-S608 PolarHBondContact O-N 3.46Å; S608-L611 CarbonylContact O-C 3.58Å; S608-L611 PolarHBondContact O-N 2.82Å; S608-N612 CarbonylContact O-C 3.55Å; S608-N612 VanDerWaalsContact O-CA 3.31Å; S608-N612 WeakPolarHBondContact O-CA 3.39Å; S608-N612 PolarHBondContact O-N 2.98Å; S608-I613 WeakPolarHBondContact CB-O 3.43Å; S608-I613 PolarHBondContact O-N 2.98Å; S608-I613 PolarHBondContact OG-O 3.38Å; S608-S615 VanDerWaalsContact OG-CB 3.3Å; S608-S615 WeakPolarHBondContact OG-CB 3.41Å; S608-S615 PolarHBondContact OG-OG 3.14Å; S608-T618 WeakPolarHBondContact CB-OG1 3.41Å; S608-T618 PolarHBondContact OG-OG1 3.29Å |
| 609 | C | 97.2 | Very high | 97 | Very high | 44 Ų | 44 | 27.9 Ų | 27.9 | 30% | 0.297 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -68.7 | -43.8 | -177.3 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | E605 D606 L611 N612 | E605-C609 WeakPolarHBondContact O-CB 3.49Å; E605-C609 PolarHBondContact O-N 3.45Å; E605-C609 PolarHBondContact O-SG 3.13Å; D606-C609 PolarHBondContact O-N 3.34Å; C609-L611 VanDerWaalsContact C-N 3.25Å; C609-L611 PolarHBondContact O-N 3.06Å; C609-N612 PolarHBondContact O-N 2.64Å |
| 610 | Q | 95.5 | Very high | 97 | Very high | 78 Ų | 78 | 24.6 Ų | 24.6 | 36% | 0.364 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -60.4 | -37.7 | 175.1 | -72.8 | 169.1 | 31.4 | 0 | 0 | 111.8 | S269 L271 D606 | S269-Q610 PolarHBondContact OG-OE1 2.97Å; L271-Q610 WeakPolarHBondContact CD1-O 3.44Å; D606-Q610 VanDerWaalsContact O-CB 3.32Å; D606-Q610 WeakPolarHBondContact O-CB 3.27Å; D606-Q610 WeakPolarHBondContact O-CG 3.37Å; D606-Q610 PolarHBondContact O-N 3.43Å |
| 611 | L | 95.6 | Very high | 97 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 5.9 | 179.1 | -67.4 | 176.4 | 0 | 0 | 0 | 114 | I270 L271 R567 L607 S608 C609 I613 | I270-L611 HydrophobicContact CD1-CD1 3.59Å; I270-L611 HydrophobicContact CD1-CD2 3.5Å; I270-L611 HydrophobicContact CD1-CG 3.61Å; I270-L611 HydrophobicContact CG1-CD2 3.82Å; I270-L611 HydrophobicContact CG1-CG 4.28Å; L271-L611 HydrophobicContact CD2-CD2 3.41Å; L271-L611 VanDerWaalsContact CD2-CD2 3.41Å; L271-L611 HydrophobicContact CG-CD2 3.82Å; R567-L611 WeakPolarHBondContact CD-O 3.34Å; R567-L611 VanDerWaalsContact CZ-O 3.32Å; R567-L611 PolarHBondContact NH1-O 2.68Å; L607-L611 HydrophobicContact CD1-CD1 3.59Å; L607-L611 HydrophobicContact CD1-CG 4.09Å; L607-L611 HydrophobicContact CG-CD1 4Å; L607-L611 VanDerWaalsContact O-CB 3.26Å; L607-L611 WeakPolarHBondContact O-CB 3.17Å; L607-L611 WeakPolarHBondContact O-CG 3.47Å; L607-L611 PolarHBondContact O-N 3.18Å; S608-L611 CarbonylContact O-C 3.58Å; S608-L611 PolarHBondContact O-N 2.82Å; C609-L611 VanDerWaalsContact C-N 3.25Å; C609-L611 PolarHBondContact O-N 3.06Å; L611-I613 HydrophobicContact CB-CB 4.5Å; L611-I613 HydrophobicContact CB-CD1 3.55Å; L611-I613 HydrophobicContact CB-CG1 3.95Å; L611-I613 HydrophobicContact CD1-CD1 3.78Å; L611-I613 HydrophobicContact CG-CD1 4.31Å; L611-I613 WeakPolarHBondContact O-CG1 3.41Å; L611-I613 PolarHBondContact O-N 3.22Å |
| 612 | N | 96.2 | Very high | 97 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 14% | 0.144 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 35.2 | -176.3 | -157.1 | 57.8 | 0 | 0 | 0 | 114.3 | Y70 V84 C85 S608 C609 L620 | Y70-N612 CarbonylContact C-O 3.58Å; Y70-N612 VanDerWaalsContact CA-O 3.23Å; Y70-N612 WeakPolarHBondContact CA-O 3.23Å; Y70-N612 PolarHBondContact O-ND2 3.36Å; Y70-N612 VanDerWaalsContact O-O 3.13Å; V84-N612 WeakPolarHBondContact CA-OD1 3.48Å; C85-N612 PolarHBondContact N-OD1 2.82Å; S608-N612 CarbonylContact O-C 3.55Å; S608-N612 VanDerWaalsContact O-CA 3.31Å; S608-N612 WeakPolarHBondContact O-CA 3.39Å; S608-N612 PolarHBondContact O-N 2.98Å; C609-N612 PolarHBondContact O-N 2.64Å; N612-L620 WeakPolarHBondContact OD1-CD2 3.34Å |
| 613 | I | 96.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -105.4 | 139.8 | -177.8 | -67.2 | 159.6 | 0 | 0 | 0 | 109.4 | A68 V69 C85 R567 M574 S608 L611 | A68-I613 HydrophobicContact CB-CD1 4.18Å; A68-I613 HydrophobicContact CB-CG1 4.31Å; A68-I613 HydrophobicContact CB-CG2 4.06Å; V69-I613 VanDerWaalsContact O-CA 3.28Å; V69-I613 WeakPolarHBondContact O-CA 3.5Å; C85-I613 PolarHBondContact SG-O 3.49Å; R567-I613 HydrophobicContact CB-CD1 3.8Å; R567-I613 HydrophobicContact CB-CG1 4.25Å; R567-I613 WeakPolarHBondContact O-CD1 3.44Å; M574-I613 HydrophobicContact CE-CB 3.91Å; M574-I613 HydrophobicContact CE-CD1 4.22Å; M574-I613 HydrophobicContact CE-CG2 3.56Å; S608-I613 WeakPolarHBondContact CB-O 3.43Å; S608-I613 PolarHBondContact O-N 2.98Å; S608-I613 PolarHBondContact OG-O 3.38Å; L611-I613 HydrophobicContact CB-CB 4.5Å; L611-I613 HydrophobicContact CB-CD1 3.55Å; L611-I613 HydrophobicContact CB-CG1 3.95Å; L611-I613 HydrophobicContact CD1-CD1 3.78Å; L611-I613 HydrophobicContact CG-CD1 4.31Å; L611-I613 WeakPolarHBondContact O-CG1 3.41Å; L611-I613 PolarHBondContact O-N 3.22Å | ||
| 614 | L | 96.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | trans | -65.3 | 134.9 | 169.1 | -70.9 | 177.7 | 0 | 0 | 0 | 112.1 | V69 A108 F118 L620 | V69-L614 HydrophobicContact CB-CB 4.4Å; V69-L614 HydrophobicContact CB-CD1 3.99Å; V69-L614 HydrophobicContact CB-CG 4.32Å; V69-L614 HydrophobicContact CG1-CD1 3.92Å; V69-L614 HydrophobicContact CG1-CG 4.45Å; V69-L614 PolarHBondContact O-N 2.64Å; A108-L614 HydrophobicContact CB-CD1 4.19Å; A108-L614 WeakPolarHBondContact O-CD2 3.3Å; F118-L614 HydrophobicContact CD1-CD1 3.71Å; F118-L614 HydrophobicContact CE1-CB 4.3Å; F118-L614 HydrophobicContact CE1-CD1 3.9Å; L614-L620 HydrophobicContact CD1-CD1 4.23Å; L614-L620 HydrophobicContact CD2-CB 3.98Å; L614-L620 HydrophobicContact CD2-CD1 4Å; L614-L620 HydrophobicContact CD2-CG 3.6Å; L614-L620 HydrophobicContact CG-CD1 3.76Å; L614-L620 HydrophobicContact CG-CG 3.91Å | ||
| 615 | S | 95.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | trans | -137.7 | 169.4 | 166.1 | 62 | 0 | 0 | 0 | 0 | 109.5 | S608 F617 T618 | S608-S615 VanDerWaalsContact OG-CB 3.3Å; S608-S615 WeakPolarHBondContact OG-CB 3.41Å; S608-S615 PolarHBondContact OG-OG 3.14Å; S615-F617 PolarHBondContact O-N 3.35Å; S615-T618 PolarHBondContact N-OG1 3.09Å; S615-T618 PolarHBondContact O-N 3.31Å; S615-T618 PolarHBondContact OG-OG1 3.48Å | ||
| 616 | K | 92.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 6% | 0.057 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | -38.5 | 173.6 | 176 | 173.7 | -174.6 | 164 | 0 | 114.6 | R88 E112 D408 H582 | R88-K616 PolarHBondContact NH1-O 2.89Å; E112-K616 HydrophobicContact CG-CD 4.37Å; E112-K616 HydrophobicContact CG-CG 4.25Å; E112-K616 WeakPolarHBondContact O-CD 3.28Å; E112-K616 WeakPolarHBondContact O-CE 3.18Å; E112-K616 PolarHBondContact O-NZ 3Å; E112-K616 VanDerWaalsContact O-NZ 3.14Å; D408-K616 IonicContact OD2-NZ 3.64Å; D408-K616 PolarHBondContact OD2-NZ 3Å; H582-K616 PolarHBondContact NE2-NZ 2.81Å |
| 617 | F | 97.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -2.8 | -174.9 | -54.2 | -54.3 | 0 | 0 | 0 | 114.3 | R88 F181 I578 Y581 R601 V604 E605 S615 | R88-F617 WeakPolarHBondContact CB-O 3.39Å; R88-F617 PolarHBondContact N-O 3.29Å; F181-F617 HydrophobicContact CE2-CD1 4.47Å; I578-F617 HydrophobicContact CG1-CE2 4.47Å; Y581-F617 AromaticContact CD1-CZ 3.97Å; Y581-F617 HydrophobicContact CD1-CZ 3.97Å; Y581-F617 HydrophobicContact CD2-CZ 4.49Å; Y581-F617 HydrophobicContact CE1-CE1 4.31Å; Y581-F617 AromaticContact CE1-CZ 3.69Å; Y581-F617 HydrophobicContact CE1-CZ 3.69Å; Y581-F617 HydrophobicContact CE2-CZ 4.24Å; Y581-F617 HydrophobicContact CG-CZ 4.38Å; Y581-F617 AromaticContact CZ-CZ 3.87Å; R601-F617 HydrophobicContact CG-CD1 4.42Å; R601-F617 HydrophobicContact CG-CD2 4.09Å; R601-F617 HydrophobicContact CG-CE2 4.35Å; R601-F617 HydrophobicContact CG-CG 4.13Å; V604-F617 HydrophobicContact CB-CD2 4.07Å; V604-F617 HydrophobicContact CG1-CD2 3.82Å; V604-F617 HydrophobicContact CG1-CE2 4.44Å; E605-F617 HydrophobicContact CG-CB 3.8Å; S615-F617 PolarHBondContact O-N 3.35Å |
| 618 | T | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 165.1 | -174.6 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | C85 R86 E605 S608 S615 | C85-T618 VanDerWaalsContact SG-CB 3.56Å; R86-T618 CarbonylContact O-C 3.35Å; R86-T618 VanDerWaalsContact O-CA 3.24Å; R86-T618 WeakPolarHBondContact O-CA 3.36Å; R86-T618 VanDerWaalsContact O-CB 3.26Å; R86-T618 WeakPolarHBondContact O-CB 3.49Å; E605-T618 HydrophobicContact CB-CG2 4.2Å; E605-T618 HydrophobicContact CG-CG2 4.01Å; S608-T618 WeakPolarHBondContact CB-OG1 3.41Å; S608-T618 PolarHBondContact OG-OG1 3.29Å; S615-T618 PolarHBondContact N-OG1 3.09Å; S615-T618 PolarHBondContact O-N 3.31Å; S615-T618 PolarHBondContact OG-OG1 3.48Å |
| 619 | S | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 152.2 | 178.5 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | C85 R86 R88 A108 | C85-S619 WeakPolarHBondContact CA-O 3.35Å; R86-S619 PolarHBondContact N-O 2.87Å; R86-S619 PolarHBondContact O-N 3.25Å; R88-S619 WeakPolarHBondContact CG-OG 3.44Å; A108-S619 WeakPolarHBondContact O-CA 3.37Å; A108-S619 WeakPolarHBondContact O-CB 2.6Å |
| 620 | L | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.8 | 176.1 | -73.9 | 173.6 | 0 | 0 | 0 | 108.5 | V69 F72 C85 L107 A108 N612 L614 | V69-L620 HydrophobicContact CG1-CD1 4.4Å; F72-L620 HydrophobicContact CB-CB 4.44Å; F72-L620 HydrophobicContact CB-CD1 3.85Å; F72-L620 HydrophobicContact CD1-CB 4.33Å; C85-L620 HydrophobicContact CB-CD2 3.77Å; L107-L620 CarbonylContact C-O 3.53Å; L107-L620 VanDerWaalsContact CA-O 3.3Å; L107-L620 WeakPolarHBondContact CA-O 3.13Å; A108-L620 HydrophobicContact CB-CB 4.24Å; A108-L620 PolarHBondContact N-O 2.87Å; A108-L620 PolarHBondContact O-N 3.27Å; N612-L620 WeakPolarHBondContact OD1-CD2 3.34Å; L614-L620 HydrophobicContact CD1-CD1 4.23Å; L614-L620 HydrophobicContact CD2-CB 3.98Å; L614-L620 HydrophobicContact CD2-CD1 4Å; L614-L620 HydrophobicContact CD2-CG 3.6Å; L614-L620 HydrophobicContact CG-CD1 3.76Å; L614-L620 HydrophobicContact CG-CG 3.91Å |
| 621 | V | 98.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.8 | -179.2 | 64.7 | 0 | 0 | 0 | 0 | 111.8 | S83 V84 R86 A91 T94 I106 L107 | S83-V621 CarbonylContact C-O 3.52Å; S83-V621 VanDerWaalsContact CA-O 3.29Å; S83-V621 WeakPolarHBondContact CA-O 3.46Å; V84-V621 PolarHBondContact N-O 2.81Å; V84-V621 PolarHBondContact O-N 3.38Å; R86-V621 HydrophobicContact CB-CG1 4.5Å; R86-V621 HydrophobicContact CG-CG1 4.09Å; A91-V621 HydrophobicContact CB-CB 4.11Å; A91-V621 HydrophobicContact CB-CG1 3.98Å; T94-V621 HydrophobicContact CG2-CG2 4.07Å; I106-V621 VanDerWaalsContact O-CA 3.31Å; I106-V621 WeakPolarHBondContact O-CA 3.18Å; L107-V621 HydrophobicContact CD1-CB 4.14Å; L107-V621 HydrophobicContact CD1-CG2 4.47Å |
| 622 | A | 97.4 | Very high | 87.4 | Confident | 10 Ų | 10 | 44 Ų | 44 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 151.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | I81 V82 A105 I106 | I81-A622 HydrophobicContact CB-CB 4.16Å; V82-A622 WeakPolarHBondContact O-CB 3.36Å; A105-A622 CarbonylContact C-O 3.53Å; A105-A622 VanDerWaalsContact CA-O 3.28Å; A105-A622 WeakPolarHBondContact CA-O 3.42Å; I106-A622 HydrophobicContact CD1-CB 3.88Å; I106-A622 HydrophobicContact CG1-CB 3.54Å; I106-A622 PolarHBondContact N-O 3.27Å; I106-A622 PolarHBondContact O-N 3.31Å |
| 623 | V | 95.9 | Very high | 84.9 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 30% | 0.303 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.1 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 109 | T94 A98 H103 A105 | T94-V623 HydrophobicContact CG2-CG2 3.96Å; A98-V623 HydrophobicContact CB-CB 4.19Å; A98-V623 HydrophobicContact CB-CG1 3.56Å; A98-V623 HydrophobicContact CB-CG2 3.51Å; H103-V623 HydrophobicContact CB-CG1 3.87Å; A105-V623 HydrophobicContact CB-CG2 4.16Å |
| 624 | D | 93 | Very high | 82.4 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 119.6 | 167.1 | -171.3 | -22.3 | 0 | 0 | 0 | 108.4 | N79 I81 H103 T104 T626 | N79-D624 WeakPolarHBondContact CB-OD2 3.41Å; N79-D624 PolarHBondContact ND2-OD2 3.4Å; I81-D624 HydrophobicContact CG2-CB 3.74Å; H103-D624 PolarHBondContact ND1-O 2.87Å; T104-D624 PolarHBondContact O-N 3.17Å; D624-T626 PolarHBondContact O-N 2.8Å; D624-T626 VanDerWaalsContact O-N 3.08Å; D624-T626 WeakPolarHBondContact OD1-CB 3.03Å; D624-T626 PolarHBondContact OD1-N 2.84Å; D624-T626 PolarHBondContact OD1-OG1 3.06Å |
| 625 | P | 89.4 | Confident | 79.7 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 72% | 0.721 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | -13 | 178.2 | 28.7 | -36.7 | 0 | 0 | 0 | 113 | H103 K627 | H103-P625 PolarHBondContact CE1-O 2.92Å; H103-P625 VanDerWaalsContact CE1-O 3.22Å; H103-P625 PolarHBondContact ND1-O 2.76Å; P625-K627 PolarHBondContact O-N 2.84Å |
| 626 | T | 87.8 | Confident | 76.8 | Confident | 66 Ų | 66 | 68.6 Ų | 68.6 | 41% | 0.405 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 119.8 | 176.6 | -44.9 | 0 | 0 | 0 | 0 | 109.9 | N79 H103 D624 | N79-T626 PolarHBondContact ND2-OG1 3.3Å; H103-T626 PolarHBondContact ND1-O 2.99Å; H103-T626 VanDerWaalsContact ND1-O 3.15Å; D624-T626 PolarHBondContact O-N 2.8Å; D624-T626 VanDerWaalsContact O-N 3.08Å; D624-T626 WeakPolarHBondContact OD1-CB 3.03Å; D624-T626 PolarHBondContact OD1-N 2.84Å; D624-T626 PolarHBondContact OD1-OG1 3.06Å |
| 627 | K | 84.5 | Confident | 73.9 | Confident | 139 Ų | 139 | 74.4 Ų | 74.4 | 60% | 0.604 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 128.4 | 171.8 | -174.7 | 166.6 | 177.9 | 136.6 | 0 | 109.6 | E101 P625 | E101-K627 WeakPolarHBondContact O-CE 3.35Å; E101-K627 PolarHBondContact O-NZ 3.47Å; P625-K627 PolarHBondContact O-N 2.84Å |
| 628 | L | 79.4 | Confident | 70.9 | Confident | 42 Ų | 42 | 75.8 Ų | 75.8 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 140.1 | 177.6 | -63.4 | 169.2 | 0 | 0 | 0 | 110.4 | G102 T104 N124 V630 | G102-L628 WeakPolarHBondContact O-CB 3.4Å; G102-L628 PolarHBondContact O-N 2.87Å; T104-L628 WeakPolarHBondContact OG1-CD1 3.18Å; N124-L628 HydrophobicContact CB-CD1 3.77Å; N124-L628 WeakPolarHBondContact O-CD1 3.41Å; L628-V630 HydrophobicContact CB-CG2 3.35Å; L628-V630 HydrophobicContact CD1-CG2 4.21Å; L628-V630 HydrophobicContact CG-CG2 4.39Å; L628-V630 PolarHBondContact O-N 2.84Å |
| 629 | D | 73.5 | Confident | 67.5 | Low | 179 Ų | 179 | 80.3 Ų | 80.3 | 96% | 0.957 | 42% | 0.416 | S | S | * | . | trans | -81.9 | 60.8 | 171.9 | -168.6 | 25.7 | 0 | 0 | 0 | 110 | ||||
| 630 | V | 62.4 | Low | 64.4 | Low | 49 Ų | 49 | 81.3 Ų | 81.3 | 30% | 0.297 | 42% | 0.422 | S | S | . | . | trans | -119.6 | 134 | 174.7 | -124.3 | 0 | 0 | 0 | 0 | 108.4 | A55 L628 P632 | A55-V630 HydrophobicContact CB-CB 4.3Å; A55-V630 HydrophobicContact CB-CG1 3.83Å; A55-V630 HydrophobicContact CB-CG2 4.12Å; L628-V630 HydrophobicContact CB-CG2 3.35Å; L628-V630 HydrophobicContact CD1-CG2 4.21Å; L628-V630 HydrophobicContact CG-CG2 4.39Å; L628-V630 PolarHBondContact O-N 2.84Å; V630-P632 WeakPolarHBondContact O-CD 3.33Å | ||
| 631 | D | 59.3 | Low | 60.9 | Low | 123 Ų | 123 | 86 Ų | 86 | 66% | 0.658 | 45% | 0.453 | S | S | * | . | trans | -63.3 | 113.8 | 170.1 | -168.3 | 19.4 | 0 | 0 | 0 | 107.8 | K633 | D631-K633 PolarHBondContact O-N 2.62Š| ||
| 632 | P | 46.1 | Very low | 57.6 | Low | 92 Ų | 92 | 93.8 Ų | 93.8 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | trans | -70.2 | 82.7 | 177.3 | 28.2 | -30.5 | 0 | 0 | 0 | 108.1 | V630 | V630-P632 WeakPolarHBondContact O-CD 3.33Š| ||
| 633 | K | 43.8 | Very low | 54.3 | Low | 139 Ų | 139 | 97.5 Ų | 97.5 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | trans | -69 | 137.7 | 169 | -75.9 | -176.3 | 178.4 | 173.4 | 0 | 108.8 | D631 | D631-K633 PolarHBondContact O-N 2.62Š| ||
| 634 | E | 42.8 | Very low | 50.9 | Low | 168 Ų | 168 | 103.8 Ų | 103.8 | 79% | 0.785 | 53% | 0.529 | S | S | * | . | trans | -35.2 | 135.2 | -169.6 | -73.3 | 174 | 149.3 | 0 | 0 | 116.3 | ||||
| 635 | R | 39.1 | Very low | 47.8 | Very low | 178 Ų | 178 | 110.2 Ų | 110.2 | 67% | 0.672 | 55% | 0.552 | S | S | * | * | trans | -54 | 139.8 | 173 | -48.3 | 179 | -157.2 | -179.1 | 9.4 | 110.6 | E100 | E100-R635 IonicContact OE1-CZ 3.46Å; E100-R635 IonicContact OE1-NH1 2.76Å; E100-R635 PolarHBondContact OE1-NH1 2.81Å; E100-R635 IonicContact OE1-NH2 3.31Å; E100-R635 PolarHBondContact OE1-NH2 2.86Å; E100-R635 IonicContact OE2-CZ 2.82Å; E100-R635 IonicContact OE2-NH2 3.68Å; E100-R635 PolarHBondContact OE2-NH2 2.6Å | ||
| 636 | V | 35.5 | Very low | 44.7 | Very low | 66 Ų | 66 | 116.5 Ų | 116.5 | 40% | 0.4 | 56% | 0.561 | S | S | . | * | trans | -132.3 | 121.2 | 161.3 | 175.9 | 0 | 0 | 0 | 0 | 106.8 | Q18 R19 V638 | Q18-V636 CarbonylContact C-O 3.58Å; Q18-V636 VanDerWaalsContact CB-O 3.26Å; Q18-V636 WeakPolarHBondContact CB-O 3.4Å; Q18-V636 CarbonylContact O-C 3.53Å; Q18-V636 VanDerWaalsContact O-CB 3.29Å; Q18-V636 WeakPolarHBondContact O-CB 3.38Å; Q18-V636 WeakPolarHBondContact O-CG1 3.44Å; R19-V636 HydrophobicContact CG-CG2 4.06Å; V636-V638 PolarHBondContact O-N 2.83Å | ||
| 637 | K | 31.8 | Very low | 41.8 | Very low | 135 Ų | 135 | 116 Ų | 116 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | trans | -76.7 | 117.2 | 172.4 | -172.8 | 176.1 | -178.8 | 179.4 | 0 | 107.3 | E182 T639 | E182-K637 WeakPolarHBondContact OE1-CE 3.29Å; E182-K637 IonicContact OE1-NZ 3.1Å; E182-K637 PolarHBondContact OE1-NZ 2.94Å; E182-K637 WeakPolarHBondContact OE2-CE 2.74Å; E182-K637 IonicContact OE2-NZ 4Å; E182-K637 PolarHBondContact OE2-NZ 2.79Å; K637-T639 PolarHBondContact O-N 2.9Å | ||
| 638 | V | 34.4 | Very low | 39.1 | Very low | 29 Ų | 29 | 114.9 Ų | 114.9 | 18% | 0.176 | 57% | 0.57 | C | S | . | * | trans | -83.4 | 114 | 173.6 | 177.6 | 0 | 0 | 0 | 0 | 108.7 | Q18 C21 V636 V640 | Q18-V638 VanDerWaalsContact CA-CG2 3.41Å; Q18-V638 HydrophobicContact CB-CG2 4.45Å; Q18-V638 WeakPolarHBondContact O-CG2 3.28Å; C21-V638 VanDerWaalsContact SG-CG1 3.56Å; V636-V638 PolarHBondContact O-N 2.83Å; V638-V640 HydrophobicContact CG1-CG2 3.77Å | ||
| 639 | T | 27.1 | Very low | 36.9 | Very low | 96 Ų | 96 | 116.6 Ų | 116.6 | 59% | 0.589 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 129.5 | 156.3 | -55.6 | 0 | 0 | 0 | 0 | 107 | D186 K637 | D186-T639 WeakPolarHBondContact OD1-CG2 3.17Å; D186-T639 VanDerWaalsContact OD2-CA 3.28Å; D186-T639 WeakPolarHBondContact OD2-CA 3.47Å; D186-T639 WeakPolarHBondContact OD2-CG2 3.28Å; K637-T639 PolarHBondContact O-N 2.9Å |
| 640 | V | 32.8 | Very low | 34.7 | Very low | 21 Ų | 21 | 114.5 Ų | 114.5 | 13% | 0.127 | 58% | 0.578 | C | S | . | * | P | Polyproline II helix | trans | -103.1 | 124.2 | -167.9 | -179 | 0 | 0 | 0 | 0 | 108.8 | D186 V188 V638 | D186-V640 VanDerWaalsContact C-CB 3.45Å; D186-V640 HydrophobicContact CB-CB 3.48Å; D186-V640 VanDerWaalsContact CB-CB 3.48Å; D186-V640 HydrophobicContact CB-CG2 3.72Å; D186-V640 VanDerWaalsContact CB-N 3.34Å; D186-V640 WeakPolarHBondContact O-CB 3.5Å; D186-V640 WeakPolarHBondContact O-CG2 3.49Å; D186-V640 PolarHBondContact OD1-N 2.82Å; V188-V640 VanDerWaalsContact C-CG1 3.47Å; V188-V640 HydrophobicContact CB-CG1 3.83Å; V188-V640 WeakPolarHBondContact O-CG1 3.46Å; V638-V640 HydrophobicContact CG1-CG2 3.77Å |
| 641 | P | 25.8 | Very low | 32.9 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 141.5 | -167.2 | 23.2 | -30.1 | 0 | 0 | 0 | 114.8 | V188 | V188-P641 VanDerWaalsContact CG2-O 3.29Å; V188-P641 WeakPolarHBondContact CG2-O 3.43Å |
| 642 | H | 27.3 | Very low | 31.2 | Very low | 169 Ų | 169 | 123.9 Ų | 123.9 | 78% | 0.782 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 147.7 | -174.6 | -115.3 | 39.6 | 0 | 0 | 0 | 117.4 | ||
| 643 | M | 29.3 | Very low | 30.1 | Very low | 87 Ų | 87 | 124.7 Ų | 124.7 | 43% | 0.429 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -82.3 | 135.9 | 168 | -72.4 | -115.8 | -80.5 | 0 | 0 | 111.9 | P168 V188 | P168-M643 HydrophobicContact CG-CB 4.36Å; P168-M643 HydrophobicContact CG-CE 3.5Å; V188-M643 HydrophobicContact CG2-CG 3.63Å; V188-M643 HydrophobicContact CG2-SD 4.39Å |
| 644 | F | 23.2 | Very low | 29.1 | Very low | 182 Ų | 182 | 126 Ų | 126 | 80% | 0.798 | 64% | 0.638 | S | S | * | * | trans | -114 | 118.6 | 149.5 | -99.5 | -89.9 | 0 | 0 | 0 | 107.2 | R646 | F644-R646 PolarHBondContact O-N 2.89Š| ||
| 645 | R | 28.8 | Very low | 28.3 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 54% | 0.543 | 64% | 0.637 | S | S | . | * | trans | -58.7 | 122.4 | 147.7 | -152.7 | -178.7 | -171.7 | -167.3 | 2.9 | 103.7 | S306 E308 C647 | S306-R645 PolarHBondContact O-NH1 2.77Å; E308-R645 PolarHBondContact O-NH1 2.85Å; E308-R645 PolarHBondContact O-NH2 2.98Å; R645-C647 PolarHBondContact O-N 2.85Å | ||
| 646 | R | 24.3 | Very low | 27.7 | Very low | 243 Ų | 243 | 119.3 Ų | 119.3 | 92% | 0.917 | 64% | 0.639 | S | S | * | * | trans | -68.1 | 80.4 | 170.7 | -125 | -172.6 | -179.4 | -177.2 | 1.7 | 106 | F644 S648 | F644-R646 PolarHBondContact O-N 2.89Å; R646-S648 PolarHBondContact O-N 2.89Å; R646-S648 VanDerWaalsContact O-N 3.14Å | ||
| 647 | C | 27.5 | Very low | 27.2 | Very low | 56 Ų | 56 | 120.2 Ų | 120.2 | 38% | 0.378 | 65% | 0.654 | S | S | . | * | trans | -56.2 | 122.4 | 158.4 | -84.3 | 0 | 0 | 0 | 0 | 104.4 | R645 A649 | R645-C647 PolarHBondContact O-N 2.85Å; C647-A649 PolarHBondContact O-N 2.94Å | ||
| 648 | S | 27.7 | Very low | 26.7 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 81% | 0.811 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -67.9 | 22.8 | -178 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | R646 | R646-S648 PolarHBondContact O-N 2.89Å; R646-S648 VanDerWaalsContact O-N 3.14Å |
| 649 | A | 32.8 | Very low | 26.2 | Very low | 77 Ų | 77 | 128 Ų | 128 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | trans | -122 | 85.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | C647 | C647-A649 PolarHBondContact O-N 2.94Š| ||
| 650 | L | 26.4 | Very low | 25.9 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 71% | 0.712 | 70% | 0.698 | S | S | * | * | trans | -163.7 | 73.2 | 151.2 | -98.7 | 159.9 | 0 | 0 | 0 | 109.4 | M652 | L650-M652 HydrophobicContact CD2-CB 4.23Å; L650-M652 WeakPolarHBondContact CD2-O 3.39Å; L650-M652 PolarHBondContact O-N 2.98Å | ||
| 651 | K | 24.6 | Very low | 25.6 | Very low | 215 Ų | 215 | 137.8 Ų | 137.8 | 94% | 0.935 | 73% | 0.732 | S | S | * | * | trans | -78.7 | 65.1 | 143.5 | -80.2 | -175.5 | 176.6 | 175.4 | 0 | 108.1 | ||||
| 652 | M | 23.3 | Very low | 25.5 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -160 | 119.3 | 157.9 | -84.4 | -132.6 | -145.7 | 0 | 0 | 108.7 | L650 M654 | L650-M652 HydrophobicContact CD2-CB 4.23Å; L650-M652 WeakPolarHBondContact CD2-O 3.39Å; L650-M652 PolarHBondContact O-N 2.98Å; M652-M654 PolarHBondContact O-N 3.32Å |
| 653 | A | 23.4 | Very low | 25.6 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | trans | -68.1 | 117.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 654 | M | 22.8 | Very low | 25.5 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | trans | -110.6 | 138 | 160.3 | -82.4 | -77.3 | -142.6 | 0 | 0 | 108.1 | M652 | M652-M654 PolarHBondContact O-N 3.32Š| ||
| 655 | P | 25.9 | Very low | 25.5 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -74.5 | 135 | -171.8 | 28 | -27.7 | 0 | 0 | 0 | 110.8 | A657 | P655-A657 PolarHBondContact O-N 2.99Š| ||
| 656 | A | 26.7 | Very low | 25.5 | Very low | 87 Ų | 87 | 138 Ų | 138 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | -55.3 | 119.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | N658 | A656-N658 PolarHBondContact O-N 3.01Å; A656-N658 VanDerWaalsContact O-N 3.1Å | ||
| 657 | A | 24.3 | Very low | 25.3 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | -69.9 | 102.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | P655 F659 | P655-A657 PolarHBondContact O-N 2.99Å; A657-F659 PolarHBondContact O-N 2.85Å | ||
| 658 | N | 22.5 | Very low | 25.4 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -63.5 | 101 | 169.3 | -75.4 | -21.7 | 0 | 0 | 0 | 108.9 | A656 C660 | A656-N658 PolarHBondContact O-N 3.01Å; A656-N658 VanDerWaalsContact O-N 3.1Å; N658-C660 VanDerWaalsContact C-N 3.29Å; N658-C660 PolarHBondContact O-N 3.04Å | ||
| 659 | F | 23.8 | Very low | 25.2 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | trans | -78.4 | 87.2 | 156.1 | -83.6 | -88.3 | 0 | 0 | 0 | 107.4 | A657 Y661 | A657-F659 PolarHBondContact O-N 2.85Å; F659-Y661 PolarHBondContact O-N 2.75Å | ||
| 660 | C | 21.2 | Very low | 24.8 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 72% | 0.716 | 80% | 0.797 | S | S | * | * | trans | -73.4 | 111.6 | 164.9 | -68.5 | 0 | 0 | 0 | 0 | 107.9 | N658 D662 | N658-C660 VanDerWaalsContact C-N 3.29Å; N658-C660 PolarHBondContact O-N 3.04Å; C660-D662 PolarHBondContact O-N 3Å | ||
| 661 | Y | 26.6 | Very low | 24.7 | Very low | 217 Ų | 217 | 132.2 Ų | 132.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -72.5 | 114.6 | 156.8 | -91.4 | -90.1 | 0 | 0 | 0 | 107.3 | F659 S663 | F659-Y661 PolarHBondContact O-N 2.75Å; Y661-S663 PolarHBondContact O-N 3.03Å | ||
| 662 | D | 22.9 | Very low | 24.8 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -57.2 | 102.5 | 168.1 | -96.8 | -28.3 | 0 | 0 | 0 | 108.6 | C660 I664 | C660-D662 PolarHBondContact O-N 3Å; D662-I664 PolarHBondContact O-N 2.97Å | ||
| 663 | S | 29.6 | Very low | 24.7 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -74.8 | 122.4 | 165.9 | 53.3 | 0 | 0 | 0 | 0 | 108.7 | Y661 | Y661-S663 PolarHBondContact O-N 3.03Š| ||
| 664 | I | 27.6 | Very low | 24.6 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -48 | 130.4 | -178.6 | -66.9 | 165.2 | 0 | 0 | 0 | 112.6 | D662 A666 | D662-I664 PolarHBondContact O-N 2.97Å; I664-A666 PolarHBondContact O-N 2.95Å | ||
| 665 | D | 23.4 | Very low | 24.7 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -24.8 | 100 | 165.3 | -145.2 | -6.2 | 0 | 0 | 0 | 115.5 | ||||
| 666 | A | 27.3 | Very low | 24.6 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -111.1 | 85.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109 | I664 V668 | I664-A666 PolarHBondContact O-N 2.95Å; A666-V668 PolarHBondContact O-N 3.35Å | ||
| 667 | S | 21.9 | Very low | 24.6 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -76.4 | 101.1 | 172.7 | 44.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 668 | V | 28.3 | Very low | 24.9 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -155.3 | 107.2 | 144 | 179.3 | 0 | 0 | 0 | 0 | 110 | A666 | A666-V668 PolarHBondContact O-N 3.35Š| ||
| 669 | G | 23 | Very low | 24.9 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | 54.5 | 100.8 | 132.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 670 | G | 26 | Very low | 24.9 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 173.1 | 85.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I672 | G670-I672 PolarHBondContact O-N 3.02Å; G670-I672 VanDerWaalsContact O-N 3.09Å | ||
| 671 | A | 24.2 | Very low | 25 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | trans | -62.7 | 107.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 672 | I | 25.8 | Very low | 24.9 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 80% | 0.795 | 82% | 0.82 | S | S | * | * | trans | -126.1 | 89.8 | 159.3 | -57.6 | -179.3 | 0 | 0 | 0 | 107 | G670 | G670-I672 PolarHBondContact O-N 3.02Å; G670-I672 VanDerWaalsContact O-N 3.09Å | ||
| 673 | E | 20.7 | Very low | 24.9 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -60.3 | 128.3 | 150.4 | -69.5 | 176.6 | 147.4 | 0 | 0 | 107.9 | ||||
| 674 | C | 22.4 | Very low | 24.7 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | trans | -170.6 | 104 | 144.5 | -98.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 675 | Y | 25.2 | Very low | 24.6 | Very low | 222 Ų | 222 | 127.1 Ų | 127.1 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | 25.7 | 119 | 142.1 | -68.9 | -85.9 | 0 | 0 | 0 | 120.2 | S677 | Y675-S677 PolarHBondContact O-N 2.98Š| ||
| 676 | A | 24.2 | Very low | 24.7 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -45.5 | 118.7 | 158 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 677 | S | 25.8 | Very low | 24.6 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -144.7 | 147.2 | 159.4 | -96.3 | 0 | 0 | 0 | 0 | 109.8 | Y675 | Y675-S677 PolarHBondContact O-N 2.98Š| ||
| 678 | P | 29.9 | Very low | 24.7 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -80.3 | 144.2 | -147.1 | 30.3 | -32.9 | 0 | 0 | 0 | 112.4 | C680 | P678-C680 PolarHBondContact O-N 3.4Å; P678-C680 VanDerWaalsContact O-N 3.1Å | ||
| 679 | M | 23 | Very low | 24.5 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 95% | 0.946 | 80% | 0.801 | S | S | * | * | trans | 12 | 85.8 | 157.6 | -93.8 | -176.4 | 177.7 | 0 | 0 | 114.6 | S681 | M679-S681 PolarHBondContact O-N 3.3Å; M679-S681 VanDerWaalsContact O-N 3.1Å | ||
| 680 | C | 23 | Very low | 24.8 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -72.3 | 99.6 | 156.7 | -107.4 | 0 | 0 | 0 | 0 | 107.1 | P678 F682 | P678-C680 PolarHBondContact O-N 3.4Å; P678-C680 VanDerWaalsContact O-N 3.1Å; C680-F682 PolarHBondContact O-N 3.32Å | ||
| 681 | S | 23.3 | Very low | 24.7 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -50.7 | 100.2 | 162.1 | 42.1 | 0 | 0 | 0 | 0 | 109.4 | M679 T683 | M679-S681 PolarHBondContact O-N 3.3Å; M679-S681 VanDerWaalsContact O-N 3.1Å; S681-T683 PolarHBondContact O-N 3.04Å | ||
| 682 | F | 24.9 | Very low | 24.7 | Very low | 197 Ų | 197 | 134.2 Ų | 134.2 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -72.6 | 84.8 | 172 | -149.8 | -97.3 | 0 | 0 | 0 | 107.9 | C680 G684 | C680-F682 PolarHBondContact O-N 3.32Å; F682-G684 PolarHBondContact O-N 2.93Å | ||
| 683 | T | 23.7 | Very low | 24.7 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -75.1 | 69.9 | 167.5 | 54.1 | 0 | 0 | 0 | 0 | 109 | S681 | S681-T683 PolarHBondContact O-N 3.04Š| ||
| 684 | G | 25.4 | Very low | 25.2 | Very low | 55 Ų | 55 | 126.2 Ų | 126.2 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | trans | -96.1 | 77.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | F682 L686 | F682-G684 PolarHBondContact O-N 2.93Å; G684-L686 PolarHBondContact O-N 3.11Å | ||
| 685 | S | 24.4 | Very low | 25.4 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -66.5 | 98.5 | -178.5 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | G687 | S685-G687 PolarHBondContact O-N 3.46Å; S685-G687 PolarHBondContact OG-N 3.14Å | ||
| 686 | L | 26.9 | Very low | 25.7 | Very low | 161 Ų | 161 | 125 Ų | 125 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -82 | 78.8 | 146.9 | -79.2 | 169 | 0 | 0 | 0 | 107.4 | G684 F688 | G684-L686 PolarHBondContact O-N 3.11Å; L686-F688 VanDerWaalsContact C-N 3.26Å; L686-F688 WeakPolarHBondContact O-CD2 3.46Å; L686-F688 PolarHBondContact O-N 3.29Å | ||
| 687 | G | 24.8 | Very low | 25.8 | Very low | 67 Ų | 67 | 128.5 Ų | 128.5 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 51.7 | 14.9 | 137.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | S685 | S685-G687 PolarHBondContact O-N 3.46Å; S685-G687 PolarHBondContact OG-N 3.14Å |
| 688 | F | 24.9 | Very low | 26 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 80% | 0.803 | 76% | 0.764 | S | S | * | * | trans | -111.6 | 101.4 | 169.7 | -70.7 | -78.6 | 0 | 0 | 0 | 108.9 | L686 T690 | L686-F688 VanDerWaalsContact C-N 3.26Å; L686-F688 WeakPolarHBondContact O-CD2 3.46Å; L686-F688 PolarHBondContact O-N 3.29Å; F688-T690 PolarHBondContact O-N 3.18Å | ||
| 689 | D | 24.2 | Very low | 25.9 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -47.5 | 105.1 | 164.6 | -105.2 | -36.5 | 0 | 0 | 0 | 108.9 | G691 | D689-G691 PolarHBondContact O-N 3.3Å; D689-G691 VanDerWaalsContact O-N 3.16Å | ||
| 690 | T | 27.9 | Very low | 26.1 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 16.3 | 165.1 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | F688 I692 | F688-T690 PolarHBondContact O-N 3.18Å; T690-I692 VanDerWaalsContact C-N 3.3Å; T690-I692 PolarHBondContact O-N 2.94Å |
| 691 | G | 24.4 | Very low | 26.6 | Very low | 62 Ų | 62 | 135.6 Ų | 135.6 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 2.8 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | D689 C693 | D689-G691 PolarHBondContact O-N 3.3Å; D689-G691 VanDerWaalsContact O-N 3.16Å; G691-C693 PolarHBondContact O-N 3.3Å |
| 692 | I | 24.7 | Very low | 26.9 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | trans | -91.3 | 70.9 | 165.2 | -52.5 | 178.8 | 0 | 0 | 0 | 107.4 | T690 A694 | T690-I692 VanDerWaalsContact C-N 3.3Å; T690-I692 PolarHBondContact O-N 2.94Å; I692-A694 HydrophobicContact CG2-CB 3.43Å; I692-A694 VanDerWaalsContact CG2-CB 3.43Å; I692-A694 VanDerWaalsContact CG2-N 3.35Å; I692-A694 PolarHBondContact O-N 3.11Å | ||
| 693 | C | 25.8 | Very low | 27.3 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -66.9 | 67.8 | 138.4 | -61.6 | 0 | 0 | 0 | 0 | 106.3 | G691 E695 | G691-C693 PolarHBondContact O-N 3.3Å; C693-E695 PolarHBondContact O-N 2.96Å | ||
| 694 | A | 29.7 | Very low | 28.1 | Very low | 48 Ų | 48 | 132.5 Ų | 132.5 | 40% | 0.397 | 74% | 0.737 | S | S | . | * | trans | -60.3 | 109.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 102.4 | I692 D696 | I692-A694 HydrophobicContact CG2-CB 3.43Å; I692-A694 VanDerWaalsContact CG2-CB 3.43Å; I692-A694 VanDerWaalsContact CG2-N 3.35Å; I692-A694 PolarHBondContact O-N 3.11Å; A694-D696 PolarHBondContact O-N 3.46Å | ||
| 695 | E | 27.2 | Very low | 29.2 | Very low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | -48.7 | 82.8 | 138.7 | -68.6 | 175.7 | 157.8 | 0 | 0 | 104.6 | C693 Q697 | C693-E695 PolarHBondContact O-N 2.96Å; E695-Q697 PolarHBondContact O-N 2.93Å | ||
| 696 | D | 31.7 | Very low | 30.6 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | trans | -53.2 | 117 | 176.3 | -88.3 | -31.6 | 0 | 0 | 0 | 102.9 | A694 F698 | A694-D696 PolarHBondContact O-N 3.46Å; D696-F698 PolarHBondContact O-N 2.78Å | ||
| 697 | Q | 26.1 | Very low | 32.7 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -59 | 95.1 | 177.7 | -64.7 | -170.3 | -7.3 | 0 | 0 | 104.4 | E695 Q699 | E695-Q697 PolarHBondContact O-N 2.93Å; Q697-Q699 PolarHBondContact O-N 2.76Å | ||
| 698 | F | 30 | Very low | 35.5 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | -54.7 | 91.9 | 152.2 | -76.9 | -84.1 | 0 | 0 | 0 | 103.2 | D696 K700 | D696-F698 PolarHBondContact O-N 2.78Å; F698-K700 PolarHBondContact O-N 3.17Å | ||
| 699 | Q | 28 | Very low | 38.6 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | trans | -50.1 | 104.5 | 143.1 | -80.5 | -173 | -17.1 | 0 | 0 | 102.2 | Q697 I701 | Q697-Q699 PolarHBondContact O-N 2.76Å; Q699-I701 VanDerWaalsContact C-N 3.29Å; Q699-I701 PolarHBondContact O-N 2.82Å | ||
| 700 | K | 27.7 | Very low | 41.6 | Very low | 186 Ų | 186 | 124.7 Ų | 124.7 | 81% | 0.809 | 65% | 0.65 | S | S | * | * | trans | -42.5 | 112.3 | 160.1 | -81.8 | 178 | 173.3 | 178.2 | 0 | 103.7 | F698 E702 | F698-K700 PolarHBondContact O-N 3.17Å; K700-E702 VanDerWaalsContact C-N 3.25Å; K700-E702 PolarHBondContact O-N 2.94Å | ||
| 701 | I | 33.5 | Very low | 44.6 | Very low | 144 Ų | 144 | 118.9 Ų | 118.9 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | trans | -54.8 | 106.5 | 170.6 | -62.7 | 171.6 | 0 | 0 | 0 | 102.7 | Q699 P703 | Q699-I701 VanDerWaalsContact C-N 3.29Å; Q699-I701 PolarHBondContact O-N 2.82Å; I701-P703 VanDerWaalsContact O-N 3.16Å | ||
| 702 | E | 29.2 | Very low | 47.8 | Very low | 170 Ų | 170 | 119.3 Ų | 119.3 | 79% | 0.794 | 60% | 0.595 | S | S | * | * | trans | -58.2 | 125.6 | 177.5 | -78.7 | -169.4 | 160.9 | 0 | 0 | 105 | K700 V704 | K700-E702 VanDerWaalsContact C-N 3.25Å; K700-E702 PolarHBondContact O-N 2.94Å; E702-V704 PolarHBondContact O-N 3.3Å | ||
| 703 | P | 32.8 | Very low | 51.1 | Low | 119 Ų | 119 | 112.6 Ų | 112.6 | 77% | 0.773 | 56% | 0.561 | S | S | * | * | trans | -51.2 | 136 | 179.8 | 20.8 | -31.1 | 0 | 0 | 0 | 108.2 | I701 K705 | I701-P703 VanDerWaalsContact O-N 3.16Å; P703-K705 PolarHBondContact O-N 3.42Å | ||
| 704 | V | 40.7 | Very low | 54.3 | Low | 75 Ų | 75 | 107 Ų | 107 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -25.1 | 118.8 | -178.6 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | E702 | E702-V704 PolarHBondContact O-N 3.3Š|
| 705 | K | 47.8 | Very low | 57.3 | Low | 193 Ų | 193 | 107.3 Ų | 107.3 | 84% | 0.839 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -27.4 | 142.4 | 173.7 | -79 | 171.9 | 174.3 | 170.3 | 0 | 112.3 | P703 M707 | P703-K705 PolarHBondContact O-N 3.42Å; K705-M707 PolarHBondContact O-N 3.33Å |
| 706 | L | 55.2 | Low | 60.5 | Low | 160 Ų | 160 | 100.5 Ų | 100.5 | 84% | 0.838 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -12.7 | 105.2 | 167.2 | -174.6 | 77.1 | 0 | 0 | 0 | 111.8 | E708 | L706-E708 PolarHBondContact O-N 3.13Š|
| 707 | M | 70.8 | Confident | 63.5 | Low | 69 Ų | 69 | 94.8 Ų | 94.8 | 34% | 0.34 | 46% | 0.455 | S | S | . | . | trans | -46.5 | 128.2 | -179 | -170 | -172.7 | -119.4 | 0 | 0 | 109.6 | L320 K705 K709 I711 R712 | L320-M707 HydrophobicContact CD2-CE 3.65Å; K705-M707 PolarHBondContact O-N 3.33Å; M707-K709 PolarHBondContact O-N 3.45Å; M707-I711 HydrophobicContact CE-CB 4.42Å; M707-I711 HydrophobicContact CE-CG2 3.41Å; M707-I711 VanDerWaalsContact CE-CG2 3.41Å; M707-I711 HydrophobicContact CG-CB 3.73Å; M707-I711 HydrophobicContact CG-CD1 4.44Å; M707-I711 HydrophobicContact CG-CG2 3.77Å; M707-I711 HydrophobicContact SD-CB 3.99Å; M707-I711 HydrophobicContact SD-CG2 3.56Å; M707-I711 VanDerWaalsContact SD-CG2 3.56Å; M707-R712 HydrophobicContact SD-CB 4.31Å | ||
| 708 | E | 84.1 | Confident | 66.7 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 36% | 0.36 | 42% | 0.424 | S | S | . | . | trans | -56.4 | 140.7 | -176.3 | -63.9 | -167.5 | 118.6 | 0 | 0 | 110.7 | L706 H710 I711 R712 K774 | L706-E708 PolarHBondContact O-N 3.13Å; E708-H710 VanDerWaalsContact C-N 3.28Å; E708-H710 VanDerWaalsContact CB-CE1 3.46Å; E708-H710 WeakPolarHBondContact CB-CE1 3.5Å; E708-H710 WeakPolarHBondContact CB-ND1 3.31Å; E708-H710 PolarHBondContact O-N 2.98Å; E708-H710 VanDerWaalsContact O-N 3.07Å; E708-H710 IonicContact OE2-CE1 2.63Å; E708-H710 PolarHBondContact OE2-CE1 2.63Å; E708-H710 IonicContact OE2-NE2 3.51Å; E708-I711 HydrophobicContact CB-CD1 4.2Å; E708-I711 HydrophobicContact CB-CG1 4.37Å; E708-I711 WeakPolarHBondContact O-CB 3.36Å; E708-I711 PolarHBondContact O-N 2.83Å; E708-R712 PolarHBondContact O-N 3.2Å; E708-R712 VanDerWaalsContact O-N 3.15Å; E708-K774 IonicContact OE1-NZ 3.81Å; E708-K774 PolarHBondContact OE1-NZ 3.44Å; E708-K774 IonicContact OE2-NZ 3.66Å; E708-K774 PolarHBondContact OE2-NZ 3.12Å | ||
| 709 | K | 89.6 | Confident | 69.6 | Low | 67 Ų | 67 | 79.5 Ų | 79.5 | 29% | 0.291 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -50.6 | -43.4 | -167.3 | -67.1 | -176.6 | 176.2 | -177.1 | 0 | 113.8 | M707 R712 L713 C732 E734 F766 M771 | M707-K709 PolarHBondContact O-N 3.45Å; K709-R712 WeakPolarHBondContact O-CB 3.34Å; K709-R712 PolarHBondContact O-N 3.13Å; K709-L713 WeakPolarHBondContact O-CG 3.37Å; K709-L713 PolarHBondContact O-N 2.75Å; K709-C732 WeakPolarHBondContact CD-O 3.4Å; K709-E734 WeakPolarHBondContact CE-OE1 3.24Å; K709-E734 IonicContact NZ-OE1 2.58Å; K709-E734 PolarHBondContact NZ-OE1 2.94Å; K709-E734 IonicContact NZ-OE2 3.67Å; K709-E734 PolarHBondContact NZ-OE2 3.37Å; K709-F766 HydrophobicContact CB-CE1 4.36Å; K709-F766 HydrophobicContact CD-CE1 4.3Å; K709-F766 HydrophobicContact CD-CZ 3.92Å; K709-M771 HydrophobicContact CB-SD 4.26Å |
| 710 | H | 87.3 | Confident | 72.5 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.8 | -29.3 | 176.6 | 60.7 | -24.8 | 0 | 0 | 0 | 115.8 | Q458 E708 L713 A714 L767 M771 E777 W778 | Q458-H710 VanDerWaalsContact CD-NE2 3.26Å; Q458-H710 PolarHBondContact NE2-CD2 3.01Å; Q458-H710 PolarHBondContact NE2-NE2 3.39Å; Q458-H710 PolarHBondContact OE1-CD2 3.21Å; Q458-H710 PolarHBondContact OE1-CE1 2.83Å; Q458-H710 PolarHBondContact OE1-NE2 3.05Å; E708-H710 VanDerWaalsContact C-N 3.28Å; E708-H710 VanDerWaalsContact CB-CE1 3.46Å; E708-H710 WeakPolarHBondContact CB-CE1 3.5Å; E708-H710 WeakPolarHBondContact CB-ND1 3.31Å; E708-H710 PolarHBondContact O-N 2.98Å; E708-H710 VanDerWaalsContact O-N 3.07Å; E708-H710 IonicContact OE2-CE1 2.63Å; E708-H710 PolarHBondContact OE2-CE1 2.63Å; E708-H710 IonicContact OE2-NE2 3.51Å; H710-L713 PolarHBondContact O-N 3.37Å; H710-A714 PolarHBondContact O-N 2.69Å; H710-L767 HydrophobicContact CB-CD2 3.45Å; H710-L767 VanDerWaalsContact CB-CD2 3.45Å; H710-M771 HydrophobicContact CB-CE 3.91Å; H710-M771 HydrophobicContact CB-SD 3.79Å; H710-M771 VanDerWaalsContact CG-CE 3.42Å; H710-M771 WeakPolarHBondContact ND1-CE 3.31Å; H710-E777 IonicContact CD2-OE2 3.84Å; H710-E777 IonicContact CE1-OE2 3Å; H710-E777 IonicContact NE2-OE2 3.96Å; H710-E777 PolarHBondContact NE2-OE2 2.64Å; H710-W778 HydrophobicContact CB-CB 4.38Å; H710-W778 AromaticContact CD2-CD1 3.99Å |
| 711 | I | 89.2 | Confident | 75.6 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.3 | -41.7 | 172 | -54.1 | 173.2 | 0 | 0 | 0 | 109 | T317 L320 L321 M707 E708 L713 A714 E715 | T317-I711 HydrophobicContact CG2-CD1 4.39Å; T317-I711 HydrophobicContact CG2-CG2 4.22Å; L320-I711 HydrophobicContact CD2-CG2 4.21Å; L321-I711 HydrophobicContact CD2-CG2 4.18Å; M707-I711 HydrophobicContact CE-CB 4.42Å; M707-I711 HydrophobicContact CE-CG2 3.41Å; M707-I711 VanDerWaalsContact CE-CG2 3.41Å; M707-I711 HydrophobicContact CG-CB 3.73Å; M707-I711 HydrophobicContact CG-CD1 4.44Å; M707-I711 HydrophobicContact CG-CG2 3.77Å; M707-I711 HydrophobicContact SD-CB 3.99Å; M707-I711 HydrophobicContact SD-CG2 3.56Å; M707-I711 VanDerWaalsContact SD-CG2 3.56Å; E708-I711 HydrophobicContact CB-CD1 4.2Å; E708-I711 HydrophobicContact CB-CG1 4.37Å; E708-I711 WeakPolarHBondContact O-CB 3.36Å; E708-I711 PolarHBondContact O-N 2.83Å; I711-L713 VanDerWaalsContact C-N 3.29Å; I711-L713 PolarHBondContact O-N 3.06Å; I711-A714 WeakPolarHBondContact O-CA 3.39Å; I711-A714 VanDerWaalsContact O-CB 3.22Å; I711-A714 WeakPolarHBondContact O-CB 3.22Å; I711-A714 PolarHBondContact O-N 2.81Å; I711-A714 VanDerWaalsContact O-N 3.09Å; I711-E715 PolarHBondContact O-N 2.83Å |
| 712 | R | 92.5 | Very high | 78.5 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 27% | 0.268 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 173.4 | -178.2 | 60.5 | 176.3 | 164.1 | 0.2 | 111.5 | M707 E708 K709 A714 E715 L716 C732 | M707-R712 HydrophobicContact SD-CB 4.31Å; E708-R712 PolarHBondContact O-N 3.2Å; E708-R712 VanDerWaalsContact O-N 3.15Å; K709-R712 WeakPolarHBondContact O-CB 3.34Å; K709-R712 PolarHBondContact O-N 3.13Å; R712-A714 VanDerWaalsContact C-N 3.35Å; R712-A714 PolarHBondContact O-N 2.96Å; R712-E715 WeakPolarHBondContact CD-OE2 3.29Å; R712-E715 IonicContact CZ-OE2 3.25Å; R712-E715 IonicContact NH1-OE1 3.74Å; R712-E715 PolarHBondContact NH1-OE1 2.88Å; R712-E715 IonicContact NH1-OE2 2.71Å; R712-E715 PolarHBondContact NH1-OE2 2.72Å; R712-E715 WeakPolarHBondContact O-CB 3.17Å; R712-E715 PolarHBondContact O-N 2.89Å; R712-L716 HydrophobicContact CG-CD1 4.38Å; R712-L716 WeakPolarHBondContact O-CG 3.42Å; R712-L716 PolarHBondContact O-N 2.98Å; R712-C732 WeakPolarHBondContact CG-SG 3.46Å |
| 713 | L | 94.3 | Very high | 81.7 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 172.3 | -71.9 | 170 | 0 | 0 | 0 | 111.8 | K709 H710 I711 E715 L716 Q717 W723 L729 C732 F733 A763 F766 L767 | K709-L713 WeakPolarHBondContact O-CG 3.37Å; K709-L713 PolarHBondContact O-N 2.75Å; H710-L713 PolarHBondContact O-N 3.37Å; I711-L713 VanDerWaalsContact C-N 3.29Å; I711-L713 PolarHBondContact O-N 3.06Å; L713-E715 VanDerWaalsContact C-N 3.32Å; L713-E715 PolarHBondContact O-N 3.3Å; L713-L716 PolarHBondContact O-N 2.81Å; L713-Q717 PolarHBondContact O-N 2.99Å; L713-Q717 VanDerWaalsContact O-N 3.09Å; L713-W723 PolarHBondContact O-NE1 2.85Å; L713-L729 HydrophobicContact CD2-CD1 3.53Å; L713-C732 HydrophobicContact CD2-CB 4.03Å; L713-C732 HydrophobicContact CG-CB 4.4Å; L713-F733 HydrophobicContact CD1-CE1 4.35Å; L713-F733 HydrophobicContact CD2-CE1 3.88Å; L713-F733 HydrophobicContact CD2-CZ 4.4Å; L713-A763 HydrophobicContact CD2-CB 4.46Å; L713-F766 HydrophobicContact CD1-CD1 3.82Å; L713-F766 HydrophobicContact CD1-CE1 4.24Å; L713-L767 HydrophobicContact CD1-CD1 4.36Å; L713-L767 HydrophobicContact CD1-CD2 3.67Å; L713-L767 HydrophobicContact CD1-CG 3.87Å |
| 714 | A | 92.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L321 K324 H710 I711 R712 L716 Q717 I781 | L321-A714 HydrophobicContact CD2-CB 4.06Å; K324-A714 VanDerWaalsContact CD-O 3.28Å; K324-A714 WeakPolarHBondContact CD-O 3.23Å; K324-A714 WeakPolarHBondContact CE-O 3.13Å; K324-A714 VanDerWaalsContact CG-O 3.27Å; K324-A714 WeakPolarHBondContact CG-O 3.46Å; H710-A714 PolarHBondContact O-N 2.69Å; I711-A714 WeakPolarHBondContact O-CA 3.39Å; I711-A714 VanDerWaalsContact O-CB 3.22Å; I711-A714 WeakPolarHBondContact O-CB 3.22Å; I711-A714 PolarHBondContact O-N 2.81Å; I711-A714 VanDerWaalsContact O-N 3.09Å; R712-A714 VanDerWaalsContact C-N 3.35Å; R712-A714 PolarHBondContact O-N 2.96Å; A714-L716 VanDerWaalsContact C-N 3.34Å; A714-L716 PolarHBondContact O-N 3.22Å; A714-Q717 WeakPolarHBondContact O-CB 3.36Å; A714-Q717 PolarHBondContact O-N 2.71Å; A714-I781 HydrophobicContact CB-CD1 3.33Å; A714-I781 HydrophobicContact CB-CG1 4.41Å |
| 715 | E | 92.8 | Very high | 87.2 | Confident | 56 Ų | 56 | 49.5 Ų | 49.5 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 179 | -166.1 | -166.7 | 167.5 | 0 | 0 | 112.3 | L320 K324 I711 R712 L713 Q717 | L320-E715 HydrophobicContact CD1-CB 4.35Å; L320-E715 HydrophobicContact CD1-CG 4.16Å; L320-E715 HydrophobicContact CD2-CB 4.28Å; L320-E715 HydrophobicContact CD2-CG 4.38Å; K324-E715 WeakPolarHBondContact CE-O 3.19Å; K324-E715 PolarHBondContact NZ-O 3.44Å; I711-E715 PolarHBondContact O-N 2.83Å; R712-E715 WeakPolarHBondContact CD-OE2 3.29Å; R712-E715 IonicContact CZ-OE2 3.25Å; R712-E715 IonicContact NH1-OE1 3.74Å; R712-E715 PolarHBondContact NH1-OE1 2.88Å; R712-E715 IonicContact NH1-OE2 2.71Å; R712-E715 PolarHBondContact NH1-OE2 2.72Å; R712-E715 WeakPolarHBondContact O-CB 3.17Å; R712-E715 PolarHBondContact O-N 2.89Å; L713-E715 VanDerWaalsContact C-N 3.32Å; L713-E715 PolarHBondContact O-N 3.3Å; E715-Q717 VanDerWaalsContact C-N 3.3Å; E715-Q717 PolarHBondContact O-N 3.16Å |
| 716 | L | 94.3 | Very high | 89.5 | Confident | 44 Ų | 44 | 42.8 Ų | 42.8 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.6 | -15.7 | -180 | -66.7 | 177.6 | 0 | 0 | 0 | 113.8 | R712 L713 A714 S718 D728 C732 | R712-L716 HydrophobicContact CG-CD1 4.38Å; R712-L716 WeakPolarHBondContact O-CG 3.42Å; R712-L716 PolarHBondContact O-N 2.98Å; L713-L716 PolarHBondContact O-N 2.81Å; A714-L716 VanDerWaalsContact C-N 3.34Å; A714-L716 PolarHBondContact O-N 3.22Å; L716-S718 PolarHBondContact O-N 3.2Å; L716-D728 HydrophobicContact CD1-CB 3.91Å; L716-D728 HydrophobicContact CD2-CB 3.77Å; L716-C732 VanDerWaalsContact CD1-SG 3.54Å |
| 717 | Q | 95.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -66 | 134.3 | -179.9 | -164.4 | -175.5 | 50.5 | 0 | 0 | 110.5 | K324 L713 A714 E715 G721 W723 I781 | K324-Q717 PolarHBondContact NZ-O 3.46Å; L713-Q717 PolarHBondContact O-N 2.99Å; L713-Q717 VanDerWaalsContact O-N 3.09Å; A714-Q717 WeakPolarHBondContact O-CB 3.36Å; A714-Q717 PolarHBondContact O-N 2.71Å; E715-Q717 VanDerWaalsContact C-N 3.3Å; E715-Q717 PolarHBondContact O-N 3.16Å; Q717-G721 PolarHBondContact NE2-O 3.43Å; Q717-W723 HydrophobicContact CB-CD2 4.47Å; Q717-W723 HydrophobicContact CB-CZ2 3.8Å; Q717-W723 HydrophobicContact CG-CD2 4.23Å; Q717-W723 HydrophobicContact CG-CH2 4.15Å; Q717-W723 HydrophobicContact CG-CZ2 3.73Å; Q717-W723 VanDerWaalsContact NE2-CH2 3.27Å; Q717-I781 PolarHBondContact NE2-O 2.93Å |
| 718 | S | 93 | Very high | 92.4 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | trans | -67.8 | 162.7 | 174 | 81.2 | 0 | 0 | 0 | 0 | 111.6 | L716 S720 G721 F722 | L716-S718 PolarHBondContact O-N 3.2Å; S718-S720 PolarHBondContact O-N 3.43Å; S718-S720 VanDerWaalsContact O-N 3.13Å; S718-S720 PolarHBondContact OG-N 3.49Å; S718-G721 PolarHBondContact O-N 2.91Å; S718-G721 PolarHBondContact OG-N 3.48Å; S718-F722 WeakPolarHBondContact CB-O 3.45Å; S718-F722 PolarHBondContact N-O 3.45Å; S718-F722 WeakPolarHBondContact OG-CD1 3.3Å; S718-F722 WeakPolarHBondContact OG-CE1 3.38Å; S718-F722 WeakPolarHBondContact OG-CG 3.49Å; S718-F722 WeakPolarHBondContact OG-CZ 3.4Å; S718-F722 PolarHBondContact OG-N 3.4Å; S718-F722 PolarHBondContact OG-O 2.76Å | ||
| 719 | F | 89.9 | Confident | 92.9 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 13% | 0.127 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -43.2 | 171.4 | 164.8 | -102.9 | 0 | 0 | 0 | 112.9 | M328 Y351 S352 E353 L356 G721 K784 | M328-F719 HydrophobicContact CE-CD1 3.95Å; M328-F719 HydrophobicContact CE-CE1 3.24Å; M328-F719 HydrophobicContact CE-CZ 3.75Å; M328-F719 HydrophobicContact SD-CD1 4.01Å; M328-F719 HydrophobicContact SD-CE1 3.53Å; M328-F719 VanDerWaalsContact SD-CE1 3.53Å; M328-F719 HydrophobicContact SD-CE2 4.2Å; M328-F719 HydrophobicContact SD-CZ 3.6Å; M328-F719 VanDerWaalsContact SD-CZ 3.6Å; M328-F719 VanDerWaalsContact SD-O 3.37Å; Y351-F719 AromaticContact CD1-CD2 3.82Å; Y351-F719 HydrophobicContact CD1-CD2 3.82Å; Y351-F719 AromaticContact CD1-CE2 3.06Å; Y351-F719 HydrophobicContact CD1-CE2 3.06Å; Y351-F719 AromaticContact CD1-CZ 3.78Å; Y351-F719 HydrophobicContact CD1-CZ 3.78Å; Y351-F719 HydrophobicContact CD2-CE2 4.17Å; Y351-F719 AromaticContact CE1-CD2 3.33Å; Y351-F719 HydrophobicContact CE1-CD2 3.33Å; Y351-F719 AromaticContact CE1-CE2 3.08Å; Y351-F719 HydrophobicContact CE1-CE2 3.08Å; Y351-F719 HydrophobicContact CE1-CG 4.42Å; Y351-F719 AromaticContact CE1-CZ 4Å; Y351-F719 HydrophobicContact CE1-CZ 4Å; Y351-F719 HydrophobicContact CE2-CD2 4.22Å; Y351-F719 HydrophobicContact CE2-CE2 4.24Å; Y351-F719 HydrophobicContact CG-CD2 4.38Å; Y351-F719 AromaticContact CG-CE2 3.61Å; Y351-F719 HydrophobicContact CG-CE2 3.61Å; Y351-F719 HydrophobicContact CG-CZ 4.48Å; Y351-F719 AromaticContact CZ-CD2 3.57Å; Y351-F719 AromaticContact CZ-CE2 3.72Å; Y351-F719 WeakPolarHBondContact O-CE2 3.47Å; Y351-F719 WeakPolarHBondContact O-CZ 3.47Å; S352-F719 VanDerWaalsContact C-CD2 3.43Å; S352-F719 VanDerWaalsContact CA-CZ 3.43Å; S352-F719 VanDerWaalsContact N-CE2 3.26Å; E353-F719 HydrophobicContact CB-CB 4.32Å; E353-F719 HydrophobicContact CB-CD1 4.45Å; E353-F719 HydrophobicContact CB-CG 4.36Å; L356-F719 HydrophobicContact CB-CD2 4.31Å; L356-F719 HydrophobicContact CD2-CB 3.75Å; L356-F719 HydrophobicContact CD2-CD2 4.12Å; L356-F719 HydrophobicContact CD2-CG 4.46Å; F719-G721 VanDerWaalsContact C-N 3.3Å; F719-G721 PolarHBondContact O-N 3.07Å; F719-K784 WeakPolarHBondContact O-CE 3.48Å; F719-K784 PolarHBondContact O-NZ 3.1Å; F719-K784 VanDerWaalsContact O-NZ 3.14Å |
| 720 | S | 89.8 | Confident | 93.1 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 24% | 0.238 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -5.9 | -177.7 | -53.3 | 0 | 0 | 0 | 0 | 114.7 | S718 W788 | S718-S720 PolarHBondContact O-N 3.43Å; S718-S720 VanDerWaalsContact O-N 3.13Å; S718-S720 PolarHBondContact OG-N 3.49Å; S720-W788 WeakPolarHBondContact O-CB 3.21Å |
| 721 | G | 92.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 102 | 0.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | Q717 S718 F719 A785 | Q717-G721 PolarHBondContact NE2-O 3.43Å; S718-G721 PolarHBondContact O-N 2.91Å; S718-G721 PolarHBondContact OG-N 3.48Å; F719-G721 VanDerWaalsContact C-N 3.3Å; F719-G721 PolarHBondContact O-N 3.07Å; G721-A785 VanDerWaalsContact O-CA 3.28Å; G721-A785 WeakPolarHBondContact O-CA 3.32Å; G721-A785 WeakPolarHBondContact O-CB 3.42Å |
| 722 | F | 95.2 | Very high | 93.5 | Very high | 40 Ų | 40 | 38 Ų | 38 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | trans | -95.4 | 160.5 | -177.6 | 68.2 | -103.8 | 0 | 0 | 0 | 112.8 | S718 K724 V756 T760 W788 | S718-F722 WeakPolarHBondContact CB-O 3.45Å; S718-F722 PolarHBondContact N-O 3.45Å; S718-F722 WeakPolarHBondContact OG-CD1 3.3Å; S718-F722 WeakPolarHBondContact OG-CE1 3.38Å; S718-F722 WeakPolarHBondContact OG-CG 3.49Å; S718-F722 WeakPolarHBondContact OG-CZ 3.4Å; S718-F722 PolarHBondContact OG-N 3.4Å; S718-F722 PolarHBondContact OG-O 2.76Å; F722-K724 HydrophobicContact CD2-CG 4.37Å; F722-K724 HydrophobicContact CE2-CG 3.9Å; F722-V756 HydrophobicContact CB-CG1 3.83Å; F722-V756 HydrophobicContact CD1-CG1 4.43Å; F722-V756 HydrophobicContact CD2-CG1 3.24Å; F722-V756 HydrophobicContact CE2-CG1 3.85Å; F722-V756 HydrophobicContact CG-CG1 3.59Å; F722-T760 WeakPolarHBondContact CA-OG1 3.35Å; F722-T760 WeakPolarHBondContact CB-OG1 3.32Å; F722-W788 HydrophobicContact CB-CD2 3.67Å; F722-W788 HydrophobicContact CB-CE3 3.59Å; F722-W788 HydrophobicContact CB-CG 4.42Å; F722-W788 HydrophobicContact CB-CH2 3.71Å; F722-W788 HydrophobicContact CB-CZ2 3.76Å; F722-W788 HydrophobicContact CB-CZ3 3.62Å; F722-W788 HydrophobicContact CD1-CD2 4.2Å; F722-W788 AromaticContact CD1-CE2 3.53Å; F722-W788 HydrophobicContact CD1-CH2 4.43Å; F722-W788 AromaticContact CD1-CZ2 3.67Å; F722-W788 HydrophobicContact CD1-CZ2 3.67Å; F722-W788 AromaticContact CD1-NE1 3.58Å; F722-W788 HydrophobicContact CG-CD2 4.4Å; F722-W788 AromaticContact CG-CE2 3.98Å; F722-W788 HydrophobicContact CG-CH2 4.18Å; F722-W788 AromaticContact CG-CZ2 3.87Å; F722-W788 HydrophobicContact CG-CZ2 3.87Å | ||
| 723 | W | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | trans | -113 | 138.4 | 168.3 | -69 | -91.9 | 0 | 0 | 0 | 111.1 | L713 Q717 L729 T760 A763 I764 I781 A785 | L713-W723 PolarHBondContact O-NE1 2.85Å; Q717-W723 HydrophobicContact CB-CD2 4.47Å; Q717-W723 HydrophobicContact CB-CZ2 3.8Å; Q717-W723 HydrophobicContact CG-CD2 4.23Å; Q717-W723 HydrophobicContact CG-CH2 4.15Å; Q717-W723 HydrophobicContact CG-CZ2 3.73Å; Q717-W723 VanDerWaalsContact NE2-CH2 3.27Å; W723-L729 HydrophobicContact CB-CD1 4.17Å; W723-L729 HydrophobicContact CB-CD2 4.02Å; W723-L729 HydrophobicContact CG-CD1 4.17Å; W723-T760 HydrophobicContact CE3-CG2 3.99Å; W723-T760 HydrophobicContact CZ3-CG2 4.28Å; W723-T760 PolarHBondContact N-OG1 3.21Å; W723-T760 PolarHBondContact O-OG1 2.99Å; W723-A763 HydrophobicContact CB-CB 4.39Å; W723-A763 HydrophobicContact CD2-CB 3.52Å; W723-A763 HydrophobicContact CE3-CB 3.48Å; W723-A763 VanDerWaalsContact CE3-CB 3.48Å; W723-A763 HydrophobicContact CG-CB 3.94Å; W723-A763 HydrophobicContact CH2-CB 4.26Å; W723-A763 HydrophobicContact CZ2-CB 4.36Å; W723-A763 HydrophobicContact CZ3-CB 3.83Å; W723-I764 HydrophobicContact CZ3-CG1 4.33Å; W723-I781 HydrophobicContact CH2-CG2 3.72Å; W723-I781 HydrophobicContact CZ2-CG2 3.62Å; W723-A785 HydrophobicContact CE3-CB 4.32Å; W723-A785 HydrophobicContact CH2-CB 3.94Å; W723-A785 HydrophobicContact CZ3-CB 3.36Å | ||
| 724 | K | 94.5 | Very high | 93.4 | Very high | 139 Ų | 139 | 40.5 Ų | 40.5 | 60% | 0.604 | 21% | 0.208 | S | C | * | . | trans | -84.2 | 132.1 | 169.8 | -63.7 | -176.9 | -178.2 | 176.3 | 0 | 108.5 | F722 N726 | F722-K724 HydrophobicContact CD2-CG 4.37Å; F722-K724 HydrophobicContact CE2-CG 3.9Å; K724-N726 PolarHBondContact O-N 2.88Å; K724-N726 VanDerWaalsContact O-N 3.08Å; K724-N726 PolarHBondContact O-OD1 2.84Å | ||
| 725 | L | 94.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | trans | -72.6 | 100.4 | 171.6 | -177.7 | 59.6 | 0 | 0 | 0 | 110 | L729 L737 L740 T741 L744 D755 L762 | L725-L729 HydrophobicContact CD1-CD2 4.27Å; L725-L737 HydrophobicContact CD1-CD1 3.77Å; L725-L737 HydrophobicContact CG-CD1 3.8Å; L725-L740 HydrophobicContact CD1-CB 4.08Å; L725-L740 HydrophobicContact CD1-CD1 4.22Å; L725-T741 HydrophobicContact CD2-CG2 3.75Å; L725-T741 HydrophobicContact CG-CG2 4.34Å; L725-L744 HydrophobicContact CD2-CD1 3.8Å; L725-D755 HydrophobicContact CB-CB 4.36Å; L725-D755 VanDerWaalsContact CB-O 3.22Å; L725-D755 WeakPolarHBondContact CB-O 3.3Å; L725-L762 HydrophobicContact CD1-CD1 4.12Å | ||
| 726 | N | 94.3 | Very high | 93.3 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -141.9 | -174.7 | -179.3 | 71.5 | -6.4 | 0 | 0 | 0 | 111.2 | K724 D728 L729 S730 | K724-N726 PolarHBondContact O-N 2.88Å; K724-N726 VanDerWaalsContact O-N 3.08Å; K724-N726 PolarHBondContact O-OD1 2.84Å; N726-D728 VanDerWaalsContact C-N 3.32Å; N726-D728 PolarHBondContact ND2-OD2 2.79Å; N726-D728 PolarHBondContact O-N 2.89Å; N726-D728 PolarHBondContact OD1-N 2.91Å; N726-L729 PolarHBondContact O-N 3.3Å; N726-L729 PolarHBondContact OD1-N 2.81Å; N726-S730 WeakPolarHBondContact O-CB 3.37Å; N726-S730 PolarHBondContact O-N 3.29Å |
| 727 | S | 93.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 42.3 Ų | 42.3 | 50% | 0.497 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.5 | -44 | 177.1 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | L729 S730 E731 | S727-L729 PolarHBondContact O-N 2.92Å; S727-S730 WeakPolarHBondContact CA-OG 3.31Å; S727-S730 PolarHBondContact O-N 3.29Å; S727-S730 PolarHBondContact O-OG 2.93Å; S727-E731 WeakPolarHBondContact O-CB 3.18Å; S727-E731 PolarHBondContact O-N 3.23Å |
| 728 | D | 93.7 | Very high | 93.1 | Very high | 55 Ų | 55 | 47.8 Ų | 47.8 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | -176.3 | -46.7 | -40.3 | 0 | 0 | 0 | 111.6 | L716 N726 E731 C732 | L716-D728 HydrophobicContact CD1-CB 3.91Å; L716-D728 HydrophobicContact CD2-CB 3.77Å; N726-D728 VanDerWaalsContact C-N 3.32Å; N726-D728 PolarHBondContact ND2-OD2 2.79Å; N726-D728 PolarHBondContact O-N 2.89Å; N726-D728 PolarHBondContact OD1-N 2.91Å; D728-E731 PolarHBondContact O-N 2.84Å; D728-C732 PolarHBondContact O-N 3.43Å; D728-C732 PolarHBondContact O-SG 2.79Å |
| 729 | L | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 176.2 | -170.6 | 66.6 | 0 | 0 | 0 | 111.2 | L713 W723 L725 N726 S727 E731 C732 F733 A763 | L713-L729 HydrophobicContact CD2-CD1 3.53Å; W723-L729 HydrophobicContact CB-CD1 4.17Å; W723-L729 HydrophobicContact CB-CD2 4.02Å; W723-L729 HydrophobicContact CG-CD1 4.17Å; L725-L729 HydrophobicContact CD1-CD2 4.27Å; N726-L729 PolarHBondContact O-N 3.3Å; N726-L729 PolarHBondContact OD1-N 2.81Å; S727-L729 PolarHBondContact O-N 2.92Å; L729-E731 VanDerWaalsContact C-N 3.31Å; L729-E731 PolarHBondContact O-N 2.86Å; L729-C732 WeakPolarHBondContact O-CB 3.31Å; L729-C732 PolarHBondContact O-N 3.49Å; L729-F733 HydrophobicContact CD1-CE1 4.17Å; L729-F733 HydrophobicContact CD1-CE2 4.07Å; L729-F733 HydrophobicContact CD1-CZ 3.55Å; L729-F733 HydrophobicContact CD2-CE2 4Å; L729-F733 HydrophobicContact CD2-CZ 4.14Å; L729-F733 HydrophobicContact CG-CD2 4.45Å; L729-F733 HydrophobicContact CG-CE2 3.58Å; L729-F733 HydrophobicContact CG-CZ 3.63Å; L729-F733 WeakPolarHBondContact O-CD2 3.31Å; L729-F733 WeakPolarHBondContact O-CG 3.28Å; L729-F733 PolarHBondContact O-N 2.71Å; L729-A763 HydrophobicContact CD1-CB 4.37Å |
| 730 | S | 94 | Very high | 93.1 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -35 | 178.2 | 77.3 | 0 | 0 | 0 | 0 | 112.8 | N726 S727 F733 E734 I735 | N726-S730 WeakPolarHBondContact O-CB 3.37Å; N726-S730 PolarHBondContact O-N 3.29Å; S727-S730 WeakPolarHBondContact CA-OG 3.31Å; S727-S730 PolarHBondContact O-N 3.29Å; S727-S730 PolarHBondContact O-OG 2.93Å; S730-F733 PolarHBondContact O-N 3.07Å; S730-E734 PolarHBondContact O-N 2.88Å; S730-E734 VanDerWaalsContact O-N 3.16Å; S730-I735 VanDerWaalsContact CB-O 3.31Å; S730-I735 WeakPolarHBondContact CB-O 3.26Å; S730-I735 PolarHBondContact O-N 3.44Å; S730-I735 VanDerWaalsContact O-O 3.13Å |
| 731 | E | 92.9 | Very high | 93.2 | Very high | 135 Ų | 135 | 47.9 Ų | 47.9 | 63% | 0.631 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.9 | -41.5 | 175.2 | -175.1 | 179.3 | -169.1 | 0 | 0 | 111.4 | S727 D728 L729 F733 E734 | S727-E731 WeakPolarHBondContact O-CB 3.18Å; S727-E731 PolarHBondContact O-N 3.23Å; D728-E731 PolarHBondContact O-N 2.84Å; L729-E731 VanDerWaalsContact C-N 3.31Å; L729-E731 PolarHBondContact O-N 2.86Å; E731-F733 PolarHBondContact O-N 3.09Å; E731-E734 PolarHBondContact O-N 3.26Å |
| 732 | C | 92 | Very high | 93 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -36.5 | 176.4 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | K709 R712 L713 L716 D728 L729 E734 | K709-C732 WeakPolarHBondContact CD-O 3.4Å; R712-C732 WeakPolarHBondContact CG-SG 3.46Å; L713-C732 HydrophobicContact CD2-CB 4.03Å; L713-C732 HydrophobicContact CG-CB 4.4Å; L716-C732 VanDerWaalsContact CD1-SG 3.54Å; D728-C732 PolarHBondContact O-N 3.43Å; D728-C732 PolarHBondContact O-SG 2.79Å; L729-C732 WeakPolarHBondContact O-CB 3.31Å; L729-C732 PolarHBondContact O-N 3.49Å; C732-E734 VanDerWaalsContact C-N 3.33Å |
| 733 | F | 92.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -83.2 | -10.9 | 179.1 | -53.7 | -29.1 | 0 | 0 | 0 | 113.2 | L713 L729 S730 E731 I735 L740 L762 A763 F766 | L713-F733 HydrophobicContact CD1-CE1 4.35Å; L713-F733 HydrophobicContact CD2-CE1 3.88Å; L713-F733 HydrophobicContact CD2-CZ 4.4Å; L729-F733 HydrophobicContact CD1-CE1 4.17Å; L729-F733 HydrophobicContact CD1-CE2 4.07Å; L729-F733 HydrophobicContact CD1-CZ 3.55Å; L729-F733 HydrophobicContact CD2-CE2 4Å; L729-F733 HydrophobicContact CD2-CZ 4.14Å; L729-F733 HydrophobicContact CG-CD2 4.45Å; L729-F733 HydrophobicContact CG-CE2 3.58Å; L729-F733 HydrophobicContact CG-CZ 3.63Å; L729-F733 WeakPolarHBondContact O-CD2 3.31Å; L729-F733 WeakPolarHBondContact O-CG 3.28Å; L729-F733 PolarHBondContact O-N 2.71Å; S730-F733 PolarHBondContact O-N 3.07Å; E731-F733 PolarHBondContact O-N 3.09Å; F733-I735 HydrophobicContact CB-CB 4.29Å; F733-I735 HydrophobicContact CB-CD1 4.16Å; F733-I735 HydrophobicContact CB-CG1 4.27Å; F733-I735 WeakPolarHBondContact O-CG1 3.45Å; F733-I735 PolarHBondContact O-N 3Å; F733-L740 HydrophobicContact CD2-CD1 3.84Å; F733-L740 HydrophobicContact CD2-CD2 4.5Å; F733-L740 HydrophobicContact CE2-CD1 4.46Å; F733-L762 HydrophobicContact CE2-CB 3.9Å; F733-L762 HydrophobicContact CZ-CB 4.21Å; F733-A763 HydrophobicContact CZ-CB 4.19Å; F733-F766 HydrophobicContact CB-CD2 4.27Å; F733-F766 HydrophobicContact CB-CE2 4.23Å; F733-F766 HydrophobicContact CD1-CB 3.91Å; F733-F766 AromaticContact CD1-CD1 3.83Å; F733-F766 HydrophobicContact CD1-CD1 3.83Å; F733-F766 AromaticContact CD1-CD2 3.44Å; F733-F766 HydrophobicContact CD1-CD2 3.44Å; F733-F766 VanDerWaalsContact CD1-CD2 3.44Å; F733-F766 HydrophobicContact CD1-CE1 4.21Å; F733-F766 AromaticContact CD1-CE2 3.85Å; F733-F766 HydrophobicContact CD1-CE2 3.85Å; F733-F766 AromaticContact CD1-CG 3.43Å; F733-F766 HydrophobicContact CD1-CG 3.43Å; F733-F766 VanDerWaalsContact CD1-CG 3.43Å; F733-F766 HydrophobicContact CD1-CZ 4.22Å; F733-F766 HydrophobicContact CE1-CB 3.61Å; F733-F766 AromaticContact CE1-CD1 3.92Å; F733-F766 HydrophobicContact CE1-CD1 3.92Å; F733-F766 HydrophobicContact CE1-CD2 4.07Å; F733-F766 AromaticContact CE1-CG 3.59Å; F733-F766 HydrophobicContact CE1-CG 3.59Å; F733-F766 HydrophobicContact CG-CD2 4.07Å; F733-F766 HydrophobicContact CG-CE2 4.42Å; F733-F766 HydrophobicContact CG-CG 4.43Å; F733-F766 HydrophobicContact CZ-CB 4.33Å |
| 734 | E | 91.3 | Very high | 91.9 | Very high | 123 Ų | 123 | 53 Ų | 53 | 58% | 0.575 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 35.5 | -169.5 | -63.7 | 165.9 | -165.9 | 0 | 0 | 112.4 | K709 S730 E731 C732 | K709-E734 WeakPolarHBondContact CE-OE1 3.24Å; K709-E734 IonicContact NZ-OE1 2.58Å; K709-E734 PolarHBondContact NZ-OE1 2.94Å; K709-E734 IonicContact NZ-OE2 3.67Å; K709-E734 PolarHBondContact NZ-OE2 3.37Å; S730-E734 PolarHBondContact O-N 2.88Å; S730-E734 VanDerWaalsContact O-N 3.16Å; E731-E734 PolarHBondContact O-N 3.26Å; C732-E734 VanDerWaalsContact C-N 3.33Å |
| 735 | I | 92.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -125.4 | 129.4 | 179.9 | -64.2 | 168.4 | 0 | 0 | 0 | 108.5 | S730 F733 L737 N739 L740 L818 L821 L822 | S730-I735 VanDerWaalsContact CB-O 3.31Å; S730-I735 WeakPolarHBondContact CB-O 3.26Å; S730-I735 PolarHBondContact O-N 3.44Å; S730-I735 VanDerWaalsContact O-O 3.13Å; F733-I735 HydrophobicContact CB-CB 4.29Å; F733-I735 HydrophobicContact CB-CD1 4.16Å; F733-I735 HydrophobicContact CB-CG1 4.27Å; F733-I735 WeakPolarHBondContact O-CG1 3.45Å; F733-I735 PolarHBondContact O-N 3Å; I735-L737 PolarHBondContact O-N 2.87Å; I735-N739 HydrophobicContact CG2-CB 4.08Å; I735-L740 HydrophobicContact CB-CD1 4.38Å; I735-L740 HydrophobicContact CB-CD2 4.29Å; I735-L740 HydrophobicContact CB-CG 4.35Å; I735-L740 HydrophobicContact CD1-CD2 4.34Å; I735-L740 HydrophobicContact CG2-CD1 4.32Å; I735-L740 HydrophobicContact CG2-CD2 3.79Å; I735-L740 HydrophobicContact CG2-CG 3.78Å; I735-L818 HydrophobicContact CD1-CD2 3.78Å; I735-L821 HydrophobicContact CD1-CB 3.91Å; I735-L821 HydrophobicContact CD1-CD1 4.49Å; I735-L821 HydrophobicContact CG2-CB 4.4Å; I735-L821 HydrophobicContact CG2-CD1 3.92Å; I735-L822 HydrophobicContact CD1-CD2 3.98Å; I735-L822 HydrophobicContact CD1-CG 4.19Å; I735-L822 HydrophobicContact CG1-CD2 4.41Å |
| 736 | P | 92.3 | Very high | 90.9 | Very high | 78 Ų | 78 | 57.6 Ų | 57.6 | 51% | 0.506 | 30% | 0.297 | S | S | . | . | trans | -55.1 | 135.5 | 176.3 | -26.2 | 34.2 | 0 | 0 | 0 | 113 | D738 N739 L740 | P736-D738 PolarHBondContact O-N 2.81Å; P736-D738 VanDerWaalsContact O-N 3.15Å; P736-N739 WeakPolarHBondContact O-CB 3.37Å; P736-N739 PolarHBondContact O-N 2.89Å; P736-L740 PolarHBondContact O-N 2.92Å | ||
| 737 | L | 93.1 | Very high | 90.2 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 29% | 0.293 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -53.3 | -37 | -179.1 | -177.8 | 60.1 | 0 | 0 | 0 | 113.3 | L725 I735 N739 L740 T741 | L725-L737 HydrophobicContact CD1-CD1 3.77Å; L725-L737 HydrophobicContact CG-CD1 3.8Å; I735-L737 PolarHBondContact O-N 2.87Å; L737-N739 VanDerWaalsContact C-N 3.28Å; L737-N739 PolarHBondContact O-N 2.89Å; L737-L740 PolarHBondContact O-N 2.91Å; L737-L740 VanDerWaalsContact O-N 3.17Å; L737-T741 HydrophobicContact CD1-CG2 4.1Å; L737-T741 HydrophobicContact CG-CG2 4.27Å; L737-T741 WeakPolarHBondContact O-CG2 3.47Å; L737-T741 PolarHBondContact O-N 3.02Å; L737-T741 PolarHBondContact O-OG1 3.34Å |
| 738 | D | 92.2 | Very high | 88.9 | Confident | 116 Ų | 116 | 62.3 Ų | 62.3 | 62% | 0.62 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.2 | -36.8 | 178.3 | -74.2 | -33.5 | 0 | 0 | 0 | 113 | P736 T741 E742 | P736-D738 PolarHBondContact O-N 2.81Å; P736-D738 VanDerWaalsContact O-N 3.15Å; D738-T741 WeakPolarHBondContact CA-OG1 3.21Å; D738-T741 PolarHBondContact O-N 2.9Å; D738-T741 PolarHBondContact O-OG1 3.38Å; D738-E742 PolarHBondContact O-N 2.97Å; D738-E742 VanDerWaalsContact O-N 3.15Å |
| 739 | N | 91 | Very high | 87.6 | Confident | 64 Ų | 64 | 70 Ų | 70 | 34% | 0.342 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.2 | -34.8 | 178.6 | -65.2 | -11.2 | 0 | 0 | 0 | 111.4 | I735 P736 L737 L821 | I735-N739 HydrophobicContact CG2-CB 4.08Å; P736-N739 WeakPolarHBondContact O-CB 3.37Å; P736-N739 PolarHBondContact O-N 2.89Å; L737-N739 VanDerWaalsContact C-N 3.28Å; L737-N739 PolarHBondContact O-N 2.89Å; N739-L821 HydrophobicContact CB-CD1 4.19Å; N739-L821 HydrophobicContact CB-CD2 4Å |
| 740 | L | 91.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -73.5 | -33.3 | 178.4 | -62.3 | 171.3 | 0 | 0 | 0 | 111.7 | L725 F733 I735 P736 L737 W758 L762 L818 L821 | L725-L740 HydrophobicContact CD1-CB 4.08Å; L725-L740 HydrophobicContact CD1-CD1 4.22Å; F733-L740 HydrophobicContact CD2-CD1 3.84Å; F733-L740 HydrophobicContact CD2-CD2 4.5Å; F733-L740 HydrophobicContact CE2-CD1 4.46Å; I735-L740 HydrophobicContact CB-CD1 4.38Å; I735-L740 HydrophobicContact CB-CD2 4.29Å; I735-L740 HydrophobicContact CB-CG 4.35Å; I735-L740 HydrophobicContact CD1-CD2 4.34Å; I735-L740 HydrophobicContact CG2-CD1 4.32Å; I735-L740 HydrophobicContact CG2-CD2 3.79Å; I735-L740 HydrophobicContact CG2-CG 3.78Å; P736-L740 PolarHBondContact O-N 2.92Å; L737-L740 PolarHBondContact O-N 2.91Å; L737-L740 VanDerWaalsContact O-N 3.17Å; L740-W758 PolarHBondContact O-NE1 2.58Å; L740-L762 HydrophobicContact CB-CD1 4.24Å; L740-L762 HydrophobicContact CD2-CD1 4.15Å; L740-L762 HydrophobicContact CD2-CD2 4.27Å; L740-L818 HydrophobicContact CD2-CD2 4.26Å; L740-L821 HydrophobicContact CD2-CD1 3.94Å |
| 741 | T | 91.2 | Very high | 85.6 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -80.7 | -14.9 | 178 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | L725 L737 D738 F743 L744 K745 | L725-T741 HydrophobicContact CD2-CG2 3.75Å; L725-T741 HydrophobicContact CG-CG2 4.34Å; L737-T741 HydrophobicContact CD1-CG2 4.1Å; L737-T741 HydrophobicContact CG-CG2 4.27Å; L737-T741 WeakPolarHBondContact O-CG2 3.47Å; L737-T741 PolarHBondContact O-N 3.02Å; L737-T741 PolarHBondContact O-OG1 3.34Å; D738-T741 WeakPolarHBondContact CA-OG1 3.21Å; D738-T741 PolarHBondContact O-N 2.9Å; D738-T741 PolarHBondContact O-OG1 3.38Å; T741-F743 VanDerWaalsContact C-N 3.25Å; T741-F743 PolarHBondContact O-N 3.47Å; T741-L744 WeakPolarHBondContact O-CB 3.15Å; T741-L744 PolarHBondContact O-N 2.87Å; T741-L744 VanDerWaalsContact O-N 3.08Å; T741-K745 PolarHBondContact O-N 2.92Å |
| 742 | E | 89 | Confident | 85.1 | Confident | 100 Ų | 100 | 71.1 Ų | 71.1 | 47% | 0.467 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57 | -39.6 | 178.9 | -166.3 | -175.2 | 172.6 | 0 | 0 | 112.2 | D738 L744 K745 Q746 | D738-E742 PolarHBondContact O-N 2.97Å; D738-E742 VanDerWaalsContact O-N 3.15Å; E742-L744 VanDerWaalsContact C-N 3.31Å; E742-L744 PolarHBondContact O-N 2.87Å; E742-K745 PolarHBondContact O-N 2.92Å; E742-Q746 WeakPolarHBondContact O-CG 3.46Å; E742-Q746 PolarHBondContact O-N 2.8Å; E742-Q746 VanDerWaalsContact O-N 3.15Å; E742-Q746 PolarHBondContact OE1-NE2 3Å |
| 743 | F | 83.6 | Confident | 84.8 | Confident | 32 Ų | 32 | 72 Ų | 72 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 177.4 | -179 | -92.7 | 0 | 0 | 0 | 112.7 | T741 Q746 N747 L753 W758 K813 V817 | T741-F743 VanDerWaalsContact C-N 3.25Å; T741-F743 PolarHBondContact O-N 3.47Å; F743-Q746 PolarHBondContact O-N 3.46Å; F743-N747 WeakPolarHBondContact CE2-ND2 3.47Å; F743-N747 WeakPolarHBondContact CZ-ND2 3.44Å; F743-N747 PolarHBondContact O-N 2.61Å; F743-N747 PolarHBondContact O-ND2 2.98Å; F743-L753 HydrophobicContact CD1-CD2 4.46Å; F743-L753 HydrophobicContact CE1-CD1 4.22Å; F743-L753 HydrophobicContact CE1-CD2 4Å; F743-W758 HydrophobicContact CB-CH2 4.36Å; F743-W758 HydrophobicContact CB-CZ2 3.62Å; F743-W758 AromaticContact CD1-CD2 3.87Å; F743-W758 HydrophobicContact CD1-CD2 3.87Å; F743-W758 AromaticContact CD1-CE2 3.59Å; F743-W758 AromaticContact CD1-CE3 3.96Å; F743-W758 HydrophobicContact CD1-CE3 3.96Å; F743-W758 AromaticContact CD1-CH2 3.5Å; F743-W758 HydrophobicContact CD1-CH2 3.5Å; F743-W758 AromaticContact CD1-CZ2 3.43Å; F743-W758 HydrophobicContact CD1-CZ2 3.43Å; F743-W758 VanDerWaalsContact CD1-CZ2 3.43Å; F743-W758 AromaticContact CD1-CZ3 3.78Å; F743-W758 HydrophobicContact CD1-CZ3 3.78Å; F743-W758 HydrophobicContact CD2-CH2 4.22Å; F743-W758 HydrophobicContact CD2-CZ2 4.3Å; F743-W758 HydrophobicContact CE1-CD2 4.39Å; F743-W758 HydrophobicContact CE1-CE3 4.03Å; F743-W758 AromaticContact CE1-CH2 3.8Å; F743-W758 HydrophobicContact CE1-CH2 3.8Å; F743-W758 HydrophobicContact CE1-CZ2 4.2Å; F743-W758 AromaticContact CE1-CZ3 3.72Å; F743-W758 HydrophobicContact CE1-CZ3 3.72Å; F743-W758 HydrophobicContact CE2-CH2 4.46Å; F743-W758 AromaticContact CG-CH2 3.75Å; F743-W758 HydrophobicContact CG-CH2 3.75Å; F743-W758 AromaticContact CG-CZ2 3.5Å; F743-W758 HydrophobicContact CG-CZ2 3.5Å; F743-W758 HydrophobicContact CG-CZ3 4.47Å; F743-W758 HydrophobicContact CZ-CH2 4.28Å; F743-W758 HydrophobicContact CZ-CZ3 4.36Å; F743-K813 HydrophobicContact CZ-CB 4.25Å; F743-K813 HydrophobicContact CZ-CD 4Å; F743-V817 HydrophobicContact CB-CG2 4.47Å; F743-V817 HydrophobicContact CD2-CG2 3.89Å; F743-V817 HydrophobicContact CG-CG2 4.34Å |
| 744 | L | 85.4 | Confident | 84.6 | Confident | 17 Ų | 17 | 74.3 Ų | 74.3 | 9% | 0.089 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 177.4 | -69.9 | 174.1 | 0 | 0 | 0 | 111.1 | L725 T741 E742 Q746 N747 E748 L753 D755 W758 | L725-L744 HydrophobicContact CD2-CD1 3.8Å; T741-L744 WeakPolarHBondContact O-CB 3.15Å; T741-L744 PolarHBondContact O-N 2.87Å; T741-L744 VanDerWaalsContact O-N 3.08Å; E742-L744 VanDerWaalsContact C-N 3.31Å; E742-L744 PolarHBondContact O-N 2.87Å; L744-Q746 PolarHBondContact O-N 2.77Å; L744-N747 CarbonylContact O-C 3.47Å; L744-N747 PolarHBondContact O-N 3.35Å; L744-E748 WeakPolarHBondContact O-CG 3.34Å; L744-E748 PolarHBondContact O-N 2.83Å; L744-E748 VanDerWaalsContact O-N 3.13Å; L744-L753 HydrophobicContact CD2-CD1 3.81Å; L744-L753 HydrophobicContact CD2-CD2 3.92Å; L744-L753 HydrophobicContact CD2-CG 3.54Å; L744-D755 WeakPolarHBondContact CD1-OD1 3.34Å; L744-W758 HydrophobicContact CD1-CB 4.29Å; L744-W758 HydrophobicContact CD1-CG 4.3Å; L744-W758 HydrophobicContact CD2-CB 3.65Å; L744-W758 HydrophobicContact CD2-CG 3.81Å; L744-W758 HydrophobicContact CG-CB 4.21Å; L744-W758 HydrophobicContact CG-CG 3.98Å |
| 745 | K | 84.4 | Confident | 84.5 | Confident | 125 Ų | 125 | 73.1 Ų | 73.1 | 54% | 0.543 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.5 | -35.3 | 177.3 | -66.5 | 169.7 | -177.5 | 161.3 | 0 | 112.2 | T741 E742 N747 | T741-K745 PolarHBondContact O-N 2.92Å; E742-K745 PolarHBondContact O-N 2.92Å; K745-N747 VanDerWaalsContact C-N 3.34Å |
| 746 | Q | 82.1 | Confident | 84.6 | Confident | 129 Ų | 129 | 74.8 Ų | 74.8 | 60% | 0.603 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -76.7 | -19.1 | 178.2 | -67.9 | 175 | 9.6 | 0 | 0 | 113.5 | E742 F743 L744 | E742-Q746 WeakPolarHBondContact O-CG 3.46Å; E742-Q746 PolarHBondContact O-N 2.8Å; E742-Q746 VanDerWaalsContact O-N 3.15Å; E742-Q746 PolarHBondContact OE1-NE2 3Å; F743-Q746 PolarHBondContact O-N 3.46Å; L744-Q746 PolarHBondContact O-N 2.77Å |
| 747 | N | 80.2 | Confident | 84.7 | Confident | 65 Ų | 65 | 71.2 Ų | 71.2 | 35% | 0.348 | 37% | 0.367 | S | S | . | . | trans | -127.2 | 24.2 | -169.4 | -67.1 | -77.7 | 0 | 0 | 0 | 114.2 | F743 L744 K745 K749 S750 L753 | F743-N747 WeakPolarHBondContact CE2-ND2 3.47Å; F743-N747 WeakPolarHBondContact CZ-ND2 3.44Å; F743-N747 PolarHBondContact O-N 2.61Å; F743-N747 PolarHBondContact O-ND2 2.98Å; L744-N747 CarbonylContact O-C 3.47Å; L744-N747 PolarHBondContact O-N 3.35Å; K745-N747 VanDerWaalsContact C-N 3.34Å; N747-K749 PolarHBondContact O-N 2.83Å; N747-S750 PolarHBondContact O-N 3.42Å; N747-L753 HydrophobicContact CB-CD2 3.51Å | ||
| 748 | E | 67.6 | Low | 84.8 | Confident | 158 Ų | 158 | 68.5 Ų | 68.5 | 74% | 0.738 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -8.8 | -175.1 | -68.8 | -177.2 | 169.4 | 0 | 0 | 116.1 | L744 S750 | L744-E748 WeakPolarHBondContact O-CG 3.34Å; L744-E748 PolarHBondContact O-N 2.83Å; L744-E748 VanDerWaalsContact O-N 3.13Å; E748-S750 PolarHBondContact O-N 2.96Å |
| 749 | K | 65.5 | Low | 85 | Confident | 215 Ų | 215 | 63 Ų | 63 | 94% | 0.935 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -4.4 | -175.2 | -64.7 | -176.1 | -179.8 | 177.5 | 0 | 115.3 | N747 | N747-K749 PolarHBondContact O-N 2.83Š|
| 750 | S | 71.1 | Confident | 85.3 | Confident | 56 Ų | 56 | 60 Ų | 60 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | trans | -98.7 | 125.7 | -176.9 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | N747 E748 F752 L753 | N747-S750 PolarHBondContact O-N 3.42Å; E748-S750 PolarHBondContact O-N 2.96Å; S750-F752 PolarHBondContact O-N 3.45Å; S750-F752 PolarHBondContact OG-N 2.88Å; S750-L753 PolarHBondContact O-N 2.91Å | ||
| 751 | S | 74.7 | Confident | 85.5 | Confident | 94 Ų | 94 | 60 Ų | 60 | 66% | 0.657 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -64.8 | -26.5 | 174.7 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 752 | F | 82.2 | Confident | 85.8 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 11% | 0.114 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -80.5 | -24.8 | 178.3 | 177.2 | -119.4 | 0 | 0 | 0 | 112.5 | S750 T757 L789 Q792 N796 L810 | S750-F752 PolarHBondContact O-N 3.45Å; S750-F752 PolarHBondContact OG-N 2.88Å; F752-T757 HydrophobicContact CE2-CG2 4.34Å; F752-T757 WeakPolarHBondContact O-CB 3.43Å; F752-T757 WeakPolarHBondContact O-CG2 3.49Å; F752-T757 PolarHBondContact O-OG1 3.34Å; F752-L789 HydrophobicContact CE2-CD1 4.27Å; F752-L789 HydrophobicContact CZ-CD1 3.85Å; F752-L789 HydrophobicContact CZ-CG 4.12Å; F752-Q792 HydrophobicContact CD2-CB 4.49Å; F752-Q792 HydrophobicContact CE2-CB 4Å; F752-N796 HydrophobicContact CB-CB 4.3Å; F752-N796 HydrophobicContact CD2-CB 4.45Å; F752-L810 HydrophobicContact CD1-CD2 4.41Å; F752-L810 HydrophobicContact CE1-CB 4.25Å; F752-L810 HydrophobicContact CE1-CD2 3.68Å; F752-L810 HydrophobicContact CZ-CD2 4.14Å |
| 753 | L | 85.7 | Confident | 86.2 | Confident | 28 Ų | 28 | 54 Ų | 54 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | trans | -88.1 | 114.2 | -177.3 | -170.3 | 66.7 | 0 | 0 | 0 | 110.5 | F743 L744 N747 S750 W758 L810 | F743-L753 HydrophobicContact CD1-CD2 4.46Å; F743-L753 HydrophobicContact CE1-CD1 4.22Å; F743-L753 HydrophobicContact CE1-CD2 4Å; L744-L753 HydrophobicContact CD2-CD1 3.81Å; L744-L753 HydrophobicContact CD2-CD2 3.92Å; L744-L753 HydrophobicContact CD2-CG 3.54Å; N747-L753 HydrophobicContact CB-CD2 3.51Å; S750-L753 PolarHBondContact O-N 2.91Å; L753-W758 HydrophobicContact CD1-CB 4.13Å; L753-W758 HydrophobicContact CD1-CE3 4.31Å; L753-L810 HydrophobicContact CD1-CD1 3.68Å | ||
| 754 | S | 88.9 | Confident | 86.8 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | trans | -138.5 | 167.3 | 178.6 | 66.7 | 0 | 0 | 0 | 0 | 109.6 | V756 T757 W758 | S754-V756 PolarHBondContact O-N 3.37Å; S754-V756 VanDerWaalsContact O-N 3.11Å; S754-V756 PolarHBondContact OG-N 3.01Å; S754-T757 PolarHBondContact N-OG1 3.42Å; S754-T757 PolarHBondContact O-N 2.9Å; S754-T757 PolarHBondContact O-OG1 3.5Å; S754-T757 PolarHBondContact OG-N 3.09Å; S754-T757 VanDerWaalsContact OG-N 3.11Å; S754-T757 PolarHBondContact OG-OG1 2.76Å; S754-W758 VanDerWaalsContact O-CB 3.24Å; S754-W758 WeakPolarHBondContact O-CB 3.49Å; S754-W758 PolarHBondContact O-N 3.43Å | ||
| 755 | D | 90.4 | Very high | 87.3 | Confident | 98 Ų | 98 | 51.7 Ų | 51.7 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -52.3 | -34.7 | 173.5 | -66.1 | -17.7 | 0 | 0 | 0 | 112.2 | L725 L744 G759 | L725-D755 HydrophobicContact CB-CB 4.36Å; L725-D755 VanDerWaalsContact CB-O 3.22Å; L725-D755 WeakPolarHBondContact CB-O 3.3Å; L744-D755 WeakPolarHBondContact CD1-OD1 3.34Å; D755-G759 PolarHBondContact O-N 3.38Å |
| 756 | V | 94.2 | Very high | 87.8 | Confident | 40 Ų | 40 | 46 Ų | 46 | 24% | 0.242 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.7 | -47 | -177.5 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | F722 S754 W758 T760 W788 | F722-V756 HydrophobicContact CB-CG1 3.83Å; F722-V756 HydrophobicContact CD1-CG1 4.43Å; F722-V756 HydrophobicContact CD2-CG1 3.24Å; F722-V756 HydrophobicContact CE2-CG1 3.85Å; F722-V756 HydrophobicContact CG-CG1 3.59Å; S754-V756 PolarHBondContact O-N 3.37Å; S754-V756 VanDerWaalsContact O-N 3.11Å; S754-V756 PolarHBondContact OG-N 3.01Å; V756-W758 VanDerWaalsContact C-N 3.31Å; V756-W758 PolarHBondContact O-N 3.15Å; V756-T760 VanDerWaalsContact O-CB 3.29Å; V756-T760 WeakPolarHBondContact O-CB 3.43Å; V756-T760 PolarHBondContact O-N 3.36Å; V756-T760 PolarHBondContact O-OG1 3.18Å; V756-W788 HydrophobicContact CB-CH2 4.27Å; V756-W788 HydrophobicContact CG1-CH2 3.48Å; V756-W788 VanDerWaalsContact CG1-CH2 3.48Å; V756-W788 HydrophobicContact CG1-CZ2 3.99Å; V756-W788 HydrophobicContact CG1-CZ3 4.29Å |
| 757 | T | 94.2 | Very high | 88.3 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -36.6 | 178.4 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | F752 S754 A761 W788 L789 Q792 | F752-T757 HydrophobicContact CE2-CG2 4.34Å; F752-T757 WeakPolarHBondContact O-CB 3.43Å; F752-T757 WeakPolarHBondContact O-CG2 3.49Å; F752-T757 PolarHBondContact O-OG1 3.34Å; S754-T757 PolarHBondContact N-OG1 3.42Å; S754-T757 PolarHBondContact O-N 2.9Å; S754-T757 PolarHBondContact O-OG1 3.5Å; S754-T757 PolarHBondContact OG-N 3.09Å; S754-T757 VanDerWaalsContact OG-N 3.11Å; S754-T757 PolarHBondContact OG-OG1 2.76Å; T757-A761 WeakPolarHBondContact O-CB 3.42Å; T757-A761 PolarHBondContact O-N 3.13Å; T757-W788 HydrophobicContact CG2-CH2 3.95Å; T757-W788 HydrophobicContact CG2-CZ3 4.06Å; T757-L789 HydrophobicContact CG2-CD1 3.98Å; T757-Q792 HydrophobicContact CG2-CB 4.27Å; T757-Q792 HydrophobicContact CG2-CG 4.41Å |
| 758 | W | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.4 | -46.2 | 174.7 | -175.1 | -126.4 | 0 | 0 | 0 | 113 | L740 F743 L744 L753 S754 V756 T760 A761 L762 L810 K813 A814 V817 | L740-W758 PolarHBondContact O-NE1 2.58Å; F743-W758 HydrophobicContact CB-CH2 4.36Å; F743-W758 HydrophobicContact CB-CZ2 3.62Å; F743-W758 AromaticContact CD1-CD2 3.87Å; F743-W758 HydrophobicContact CD1-CD2 3.87Å; F743-W758 AromaticContact CD1-CE2 3.59Å; F743-W758 AromaticContact CD1-CE3 3.96Å; F743-W758 HydrophobicContact CD1-CE3 3.96Å; F743-W758 AromaticContact CD1-CH2 3.5Å; F743-W758 HydrophobicContact CD1-CH2 3.5Å; F743-W758 AromaticContact CD1-CZ2 3.43Å; F743-W758 HydrophobicContact CD1-CZ2 3.43Å; F743-W758 VanDerWaalsContact CD1-CZ2 3.43Å; F743-W758 AromaticContact CD1-CZ3 3.78Å; F743-W758 HydrophobicContact CD1-CZ3 3.78Å; F743-W758 HydrophobicContact CD2-CH2 4.22Å; F743-W758 HydrophobicContact CD2-CZ2 4.3Å; F743-W758 HydrophobicContact CE1-CD2 4.39Å; F743-W758 HydrophobicContact CE1-CE3 4.03Å; F743-W758 AromaticContact CE1-CH2 3.8Å; F743-W758 HydrophobicContact CE1-CH2 3.8Å; F743-W758 HydrophobicContact CE1-CZ2 4.2Å; F743-W758 AromaticContact CE1-CZ3 3.72Å; F743-W758 HydrophobicContact CE1-CZ3 3.72Å; F743-W758 HydrophobicContact CE2-CH2 4.46Å; F743-W758 AromaticContact CG-CH2 3.75Å; F743-W758 HydrophobicContact CG-CH2 3.75Å; F743-W758 AromaticContact CG-CZ2 3.5Å; F743-W758 HydrophobicContact CG-CZ2 3.5Å; F743-W758 HydrophobicContact CG-CZ3 4.47Å; F743-W758 HydrophobicContact CZ-CH2 4.28Å; F743-W758 HydrophobicContact CZ-CZ3 4.36Å; L744-W758 HydrophobicContact CD1-CB 4.29Å; L744-W758 HydrophobicContact CD1-CG 4.3Å; L744-W758 HydrophobicContact CD2-CB 3.65Å; L744-W758 HydrophobicContact CD2-CG 3.81Å; L744-W758 HydrophobicContact CG-CB 4.21Å; L744-W758 HydrophobicContact CG-CG 3.98Å; L753-W758 HydrophobicContact CD1-CB 4.13Å; L753-W758 HydrophobicContact CD1-CE3 4.31Å; S754-W758 VanDerWaalsContact O-CB 3.24Å; S754-W758 WeakPolarHBondContact O-CB 3.49Å; S754-W758 PolarHBondContact O-N 3.43Å; V756-W758 VanDerWaalsContact C-N 3.31Å; V756-W758 PolarHBondContact O-N 3.15Å; W758-T760 PolarHBondContact O-N 3.43Å; W758-A761 HydrophobicContact CE3-CB 4.4Å; W758-A761 PolarHBondContact O-N 2.97Å; W758-L762 HydrophobicContact CD2-CD1 4.3Å; W758-L762 HydrophobicContact CD2-CG 4.21Å; W758-L762 HydrophobicContact CG-CD1 4.25Å; W758-L762 HydrophobicContact CH2-CD2 4.43Å; W758-L762 HydrophobicContact CZ2-CD1 4.49Å; W758-L762 HydrophobicContact CZ2-CD2 3.91Å; W758-L762 HydrophobicContact CZ2-CG 4.23Å; W758-L762 WeakPolarHBondContact O-CB 3.4Å; W758-L762 WeakPolarHBondContact O-CG 3.09Å; W758-L762 PolarHBondContact O-N 3.48Å; W758-L810 HydrophobicContact CE3-CD1 3.79Å; W758-L810 HydrophobicContact CE3-CG 4.41Å; W758-L810 HydrophobicContact CZ3-CD1 3.98Å; W758-K813 HydrophobicContact CZ3-CB 4.34Å; W758-A814 HydrophobicContact CE3-CB 4.4Å; W758-A814 VanDerWaalsContact CH2-CA 3.42Å; W758-A814 HydrophobicContact CH2-CB 3.89Å; W758-A814 HydrophobicContact CZ3-CB 3.7Å; W758-V817 HydrophobicContact CH2-CB 4.3Å; W758-V817 HydrophobicContact CH2-CG2 3.96Å; W758-V817 HydrophobicContact CZ2-CB 4.2Å; W758-V817 HydrophobicContact CZ2-CG1 4.24Å; W758-V817 HydrophobicContact CZ2-CG2 4.02Å |
| 759 | G | 96.5 | Very high | 90 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.9 | -38.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D755 L762 A763 | D755-G759 PolarHBondContact O-N 3.38Å; G759-L762 PolarHBondContact O-N 3.26Å; G759-A763 PolarHBondContact O-N 2.99Å |
| 760 | T | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.4 | -46.2 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | F722 W723 V756 W758 L762 A763 I764 A785 W788 | F722-T760 WeakPolarHBondContact CA-OG1 3.35Å; F722-T760 WeakPolarHBondContact CB-OG1 3.32Å; W723-T760 HydrophobicContact CE3-CG2 3.99Å; W723-T760 HydrophobicContact CZ3-CG2 4.28Å; W723-T760 PolarHBondContact N-OG1 3.21Å; W723-T760 PolarHBondContact O-OG1 2.99Å; V756-T760 VanDerWaalsContact O-CB 3.29Å; V756-T760 WeakPolarHBondContact O-CB 3.43Å; V756-T760 PolarHBondContact O-N 3.36Å; V756-T760 PolarHBondContact O-OG1 3.18Å; W758-T760 PolarHBondContact O-N 3.43Å; T760-L762 VanDerWaalsContact C-N 3.32Å; T760-L762 PolarHBondContact O-N 2.87Å; T760-A763 PolarHBondContact O-N 3.28Å; T760-I764 HydrophobicContact CG2-CD1 4.13Å; T760-I764 WeakPolarHBondContact O-CG1 3.5Å; T760-I764 PolarHBondContact O-N 3.45Å; T760-I764 VanDerWaalsContact O-N 3.08Å; T760-A785 HydrophobicContact CG2-CB 4.08Å; T760-W788 HydrophobicContact CG2-CE3 4.18Å; T760-W788 HydrophobicContact CG2-CZ3 4.28Å |
| 761 | A | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T757 W758 A765 L810 I811 A814 | T757-A761 WeakPolarHBondContact O-CB 3.42Å; T757-A761 PolarHBondContact O-N 3.13Å; W758-A761 HydrophobicContact CE3-CB 4.4Å; W758-A761 PolarHBondContact O-N 2.97Å; A761-A765 VanDerWaalsContact O-CB 3.25Å; A761-A765 WeakPolarHBondContact O-CB 3.34Å; A761-A765 PolarHBondContact O-N 3.42Å; A761-L810 HydrophobicContact CB-CD2 3.96Å; A761-L810 HydrophobicContact CB-CG 3.74Å; A761-I811 HydrophobicContact CB-CG1 4.41Å; A761-A814 HydrophobicContact CB-CB 3.96Å; A761-A814 WeakPolarHBondContact O-CB 3.16Å |
| 762 | L | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62 | -45.9 | 173.8 | -73.4 | 169.1 | 0 | 0 | 0 | 112 | L725 F733 L740 W758 G759 T760 A765 F766 A814 L818 | L725-L762 HydrophobicContact CD1-CD1 4.12Å; F733-L762 HydrophobicContact CE2-CB 3.9Å; F733-L762 HydrophobicContact CZ-CB 4.21Å; L740-L762 HydrophobicContact CB-CD1 4.24Å; L740-L762 HydrophobicContact CD2-CD1 4.15Å; L740-L762 HydrophobicContact CD2-CD2 4.27Å; W758-L762 HydrophobicContact CD2-CD1 4.3Å; W758-L762 HydrophobicContact CD2-CG 4.21Å; W758-L762 HydrophobicContact CG-CD1 4.25Å; W758-L762 HydrophobicContact CH2-CD2 4.43Å; W758-L762 HydrophobicContact CZ2-CD1 4.49Å; W758-L762 HydrophobicContact CZ2-CD2 3.91Å; W758-L762 HydrophobicContact CZ2-CG 4.23Å; W758-L762 WeakPolarHBondContact O-CB 3.4Å; W758-L762 WeakPolarHBondContact O-CG 3.09Å; W758-L762 PolarHBondContact O-N 3.48Å; G759-L762 PolarHBondContact O-N 3.26Å; T760-L762 VanDerWaalsContact C-N 3.32Å; T760-L762 PolarHBondContact O-N 2.87Å; L762-A765 PolarHBondContact O-N 3.49Å; L762-F766 VanDerWaalsContact O-CB 3.23Å; L762-F766 WeakPolarHBondContact O-CB 3.29Å; L762-F766 PolarHBondContact O-N 2.97Å; L762-A814 HydrophobicContact CD2-CB 4.07Å; L762-A814 HydrophobicContact CG-CB 4.38Å; L762-L818 HydrophobicContact CD2-CD1 4.19Å; L762-L818 HydrophobicContact CD2-CD2 3.97Å; L762-L818 HydrophobicContact CD2-CG 3.82Å; L762-L818 WeakPolarHBondContact O-CD1 3.21Å |
| 763 | A | 97.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L713 W723 L729 F733 G759 T760 F766 L767 | L713-A763 HydrophobicContact CD2-CB 4.46Å; W723-A763 HydrophobicContact CB-CB 4.39Å; W723-A763 HydrophobicContact CD2-CB 3.52Å; W723-A763 HydrophobicContact CE3-CB 3.48Å; W723-A763 VanDerWaalsContact CE3-CB 3.48Å; W723-A763 HydrophobicContact CG-CB 3.94Å; W723-A763 HydrophobicContact CH2-CB 4.26Å; W723-A763 HydrophobicContact CZ2-CB 4.36Å; W723-A763 HydrophobicContact CZ3-CB 3.83Å; L729-A763 HydrophobicContact CD1-CB 4.37Å; F733-A763 HydrophobicContact CZ-CB 4.19Å; G759-A763 PolarHBondContact O-N 2.99Å; T760-A763 PolarHBondContact O-N 3.28Å; A763-F766 PolarHBondContact O-N 3.34Å; A763-L767 WeakPolarHBondContact O-CG 3.46Å; A763-L767 PolarHBondContact O-N 2.98Å; A763-L767 VanDerWaalsContact O-N 3.1Å |
| 764 | I | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.4 | -52.6 | 175.7 | -65.3 | 165.4 | 0 | 0 | 0 | 110.2 | W723 T760 F766 L767 E768 V782 A785 K786 I811 | W723-I764 HydrophobicContact CZ3-CG1 4.33Å; T760-I764 HydrophobicContact CG2-CD1 4.13Å; T760-I764 WeakPolarHBondContact O-CG1 3.5Å; T760-I764 PolarHBondContact O-N 3.45Å; T760-I764 VanDerWaalsContact O-N 3.08Å; I764-F766 VanDerWaalsContact C-N 3.26Å; I764-F766 PolarHBondContact O-N 3.5Å; I764-L767 PolarHBondContact O-N 2.98Å; I764-E768 HydrophobicContact CG2-CG 4.39Å; I764-E768 WeakPolarHBondContact CG2-OE1 3.27Å; I764-E768 WeakPolarHBondContact O-CG 3.37Å; I764-E768 PolarHBondContact O-N 3.43Å; I764-V782 HydrophobicContact CG1-CG1 4.38Å; I764-V782 HydrophobicContact CG2-CG1 3.92Å; I764-A785 HydrophobicContact CD1-CB 3.85Å; I764-A785 HydrophobicContact CG1-CB 4.02Å; I764-K786 HydrophobicContact CD1-CG 4Å; I764-I811 HydrophobicContact CD1-CD1 4.15Å; I764-I811 HydrophobicContact CD1-CG1 4.48Å; I764-I811 HydrophobicContact CG2-CD1 4.16Å; I764-I811 HydrophobicContact CG2-CG1 4.47Å; I764-I811 HydrophobicContact CG2-CG2 4.04Å |
| 765 | A | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.5 | -34.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A761 L762 L769 I811 A814 R815 L818 | A761-A765 VanDerWaalsContact O-CB 3.25Å; A761-A765 WeakPolarHBondContact O-CB 3.34Å; A761-A765 PolarHBondContact O-N 3.42Å; L762-A765 PolarHBondContact O-N 3.49Å; A765-L769 WeakPolarHBondContact O-CB 3.41Å; A765-L769 PolarHBondContact O-N 2.93Å; A765-I811 HydrophobicContact CB-CG2 4.35Å; A765-A814 HydrophobicContact CB-CB 3.9Å; A765-R815 HydrophobicContact CB-CB 4.09Å; A765-L818 HydrophobicContact CB-CD1 3.89Å |
| 766 | F | 95.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.8 | -47.1 | 175.8 | -179.7 | -91.7 | 0 | 0 | 0 | 111.6 | K709 L713 F733 L762 A763 I764 L769 C770 L818 | K709-F766 HydrophobicContact CB-CE1 4.36Å; K709-F766 HydrophobicContact CD-CE1 4.3Å; K709-F766 HydrophobicContact CD-CZ 3.92Å; L713-F766 HydrophobicContact CD1-CD1 3.82Å; L713-F766 HydrophobicContact CD1-CE1 4.24Å; F733-F766 HydrophobicContact CB-CD2 4.27Å; F733-F766 HydrophobicContact CB-CE2 4.23Å; F733-F766 HydrophobicContact CD1-CB 3.91Å; F733-F766 AromaticContact CD1-CD1 3.83Å; F733-F766 HydrophobicContact CD1-CD1 3.83Å; F733-F766 AromaticContact CD1-CD2 3.44Å; F733-F766 HydrophobicContact CD1-CD2 3.44Å; F733-F766 VanDerWaalsContact CD1-CD2 3.44Å; F733-F766 HydrophobicContact CD1-CE1 4.21Å; F733-F766 AromaticContact CD1-CE2 3.85Å; F733-F766 HydrophobicContact CD1-CE2 3.85Å; F733-F766 AromaticContact CD1-CG 3.43Å; F733-F766 HydrophobicContact CD1-CG 3.43Å; F733-F766 VanDerWaalsContact CD1-CG 3.43Å; F733-F766 HydrophobicContact CD1-CZ 4.22Å; F733-F766 HydrophobicContact CE1-CB 3.61Å; F733-F766 AromaticContact CE1-CD1 3.92Å; F733-F766 HydrophobicContact CE1-CD1 3.92Å; F733-F766 HydrophobicContact CE1-CD2 4.07Å; F733-F766 AromaticContact CE1-CG 3.59Å; F733-F766 HydrophobicContact CE1-CG 3.59Å; F733-F766 HydrophobicContact CG-CD2 4.07Å; F733-F766 HydrophobicContact CG-CE2 4.42Å; F733-F766 HydrophobicContact CG-CG 4.43Å; F733-F766 HydrophobicContact CZ-CB 4.33Å; L762-F766 VanDerWaalsContact O-CB 3.23Å; L762-F766 WeakPolarHBondContact O-CB 3.29Å; L762-F766 PolarHBondContact O-N 2.97Å; A763-F766 PolarHBondContact O-N 3.34Å; I764-F766 VanDerWaalsContact C-N 3.26Å; I764-F766 PolarHBondContact O-N 3.5Å; F766-L769 PolarHBondContact O-N 3.06Å; F766-C770 HydrophobicContact CD2-CB 4.44Å; F766-C770 HydrophobicContact CE1-CB 4.36Å; F766-C770 HydrophobicContact CE2-CB 4.19Å; F766-C770 HydrophobicContact CZ-CB 4.15Å; F766-C770 WeakPolarHBondContact O-CB 3.46Å; F766-C770 PolarHBondContact O-N 2.94Å; F766-C770 PolarHBondContact O-SG 2.77Å; F766-L818 HydrophobicContact CB-CD1 3.88Å |
| 767 | L | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 177.8 | -71 | 167.8 | 0 | 0 | 0 | 111.4 | H710 L713 A763 I764 L769 M771 W778 V782 | H710-L767 HydrophobicContact CB-CD2 3.45Å; H710-L767 VanDerWaalsContact CB-CD2 3.45Å; L713-L767 HydrophobicContact CD1-CD1 4.36Å; L713-L767 HydrophobicContact CD1-CD2 3.67Å; L713-L767 HydrophobicContact CD1-CG 3.87Å; A763-L767 WeakPolarHBondContact O-CG 3.46Å; A763-L767 PolarHBondContact O-N 2.98Å; A763-L767 VanDerWaalsContact O-N 3.1Å; I764-L767 PolarHBondContact O-N 2.98Å; L767-L769 PolarHBondContact O-N 3.21Å; L767-M771 HydrophobicContact CD2-SD 4.39Å; L767-M771 CarbonylContact O-C 3.54Å; L767-M771 WeakPolarHBondContact O-CA 3.37Å; L767-M771 PolarHBondContact O-N 3.35Å; L767-W778 HydrophobicContact CB-CD2 3.91Å; L767-W778 HydrophobicContact CB-CE3 4.21Å; L767-W778 HydrophobicContact CB-CG 4.26Å; L767-W778 HydrophobicContact CB-CZ2 4.4Å; L767-W778 HydrophobicContact CD1-CB 4.26Å; L767-W778 HydrophobicContact CD1-CG 4.41Å; L767-W778 HydrophobicContact CD2-CB 4.07Å; L767-W778 HydrophobicContact CD2-CD2 4.47Å; L767-W778 HydrophobicContact CD2-CG 3.92Å; L767-W778 HydrophobicContact CG-CG 4.43Å; L767-V782 HydrophobicContact CB-CG2 4.35Å; L767-V782 HydrophobicContact CD1-CG2 3.5Å |
| 768 | E | 91.9 | Very high | 90.7 | Very high | 18 Ų | 18 | 22 Ų | 22 | 8% | 0.084 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.8 | -36.9 | 178.9 | -68.9 | 174.3 | 169.8 | 0 | 0 | 112.6 | I764 W778 K786 R815 | I764-E768 HydrophobicContact CG2-CG 4.39Å; I764-E768 WeakPolarHBondContact CG2-OE1 3.27Å; I764-E768 WeakPolarHBondContact O-CG 3.37Å; I764-E768 PolarHBondContact O-N 3.43Å; E768-W778 HydrophobicContact CB-CH2 4.49Å; E768-W778 HydrophobicContact CG-CH2 3.78Å; E768-W778 HydrophobicContact CG-CZ3 4.27Å; E768-K786 VanDerWaalsContact OE1-CE 3.28Å; E768-K786 WeakPolarHBondContact OE1-CE 2.9Å; E768-K786 IonicContact OE1-NZ 2.81Å; E768-K786 PolarHBondContact OE1-NZ 3.46Å; E768-R815 IonicContact OE2-CZ 3.55Å; E768-R815 IonicContact OE2-NH2 2.78Å; E768-R815 PolarHBondContact OE2-NH2 2.83Å |
| 769 | L | 90.9 | Very high | 90.3 | Very high | 66 Ų | 66 | 24.9 Ų | 24.9 | 35% | 0.346 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -83.5 | -40.8 | -176.7 | -176.8 | 66.9 | 0 | 0 | 0 | 113.2 | A765 F766 L767 L818 T819 L822 | A765-L769 WeakPolarHBondContact O-CB 3.41Å; A765-L769 PolarHBondContact O-N 2.93Å; F766-L769 PolarHBondContact O-N 3.06Å; L767-L769 PolarHBondContact O-N 3.21Å; L769-L818 HydrophobicContact CD2-CB 4.28Å; L769-T819 WeakPolarHBondContact CD2-OG1 3.39Å; L769-L822 HydrophobicContact CD2-CD1 4.14Å |
| 770 | C | 89.7 | Confident | 89.9 | Confident | 48 Ų | 48 | 25.4 Ų | 25.4 | 32% | 0.324 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -103 | -16.6 | -167.8 | -54.7 | 0 | 0 | 0 | 0 | 113.5 | F766 P772 | F766-C770 HydrophobicContact CD2-CB 4.44Å; F766-C770 HydrophobicContact CE1-CB 4.36Å; F766-C770 HydrophobicContact CE2-CB 4.19Å; F766-C770 HydrophobicContact CZ-CB 4.15Å; F766-C770 WeakPolarHBondContact O-CB 3.46Å; F766-C770 PolarHBondContact O-N 2.94Å; F766-C770 PolarHBondContact O-SG 2.77Å; C770-P772 VanDerWaalsContact C-CD 3.47Å |
| 771 | M | 87.4 | Confident | 89.6 | Confident | 20 Ų | 20 | 25.5 Ų | 25.5 | 10% | 0.099 | 13% | 0.128 | C | C | . | . | trans | -137.9 | 40.7 | -177.6 | -52 | -176.1 | 67.5 | 0 | 0 | 113 | K709 H710 L767 E773 K774 W778 | K709-M771 HydrophobicContact CB-SD 4.26Å; H710-M771 HydrophobicContact CB-CE 3.91Å; H710-M771 HydrophobicContact CB-SD 3.79Å; H710-M771 VanDerWaalsContact CG-CE 3.42Å; H710-M771 WeakPolarHBondContact ND1-CE 3.31Å; L767-M771 HydrophobicContact CD2-SD 4.39Å; L767-M771 CarbonylContact O-C 3.54Å; L767-M771 WeakPolarHBondContact O-CA 3.37Å; L767-M771 PolarHBondContact O-N 3.35Å; M771-E773 VanDerWaalsContact C-N 3.25Å; M771-E773 PolarHBondContact O-N 3.43Å; M771-K774 HydrophobicContact CB-CB 4.46Å; M771-K774 HydrophobicContact CE-CD 3.68Å; M771-K774 PolarHBondContact O-N 3.02Å; M771-W778 PolarHBondContact O-NE1 3.23Å | ||
| 772 | P | 82.8 | Confident | 89.4 | Confident | 39 Ų | 39 | 25.6 Ų | 25.6 | 25% | 0.253 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -61.6 | -31.2 | -176.9 | 27.2 | -36.2 | 0 | 0 | 0 | 113.4 | C770 K774 E775 | C770-P772 VanDerWaalsContact C-CD 3.47Å; P772-K774 PolarHBondContact O-N 2.94Å; P772-E775 PolarHBondContact O-N 2.88Å |
| 773 | E | 78.3 | Confident | 89 | Confident | 111 Ų | 111 | 28 Ų | 28 | 52% | 0.519 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -66.5 | -19.6 | 177 | 72.7 | -66.4 | 160.4 | 0 | 0 | 113.2 | M771 | M771-E773 VanDerWaalsContact C-N 3.25Å; M771-E773 PolarHBondContact O-N 3.43Å |
| 774 | K | 82.6 | Confident | 88.6 | Confident | 36 Ų | 36 | 28.9 Ų | 28.9 | 16% | 0.157 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -103.1 | 21.1 | 177.4 | -65.8 | -169.3 | 163.1 | -145.7 | 0 | 112.7 | E708 M771 P772 N776 E777 W778 | E708-K774 IonicContact OE1-NZ 3.81Å; E708-K774 PolarHBondContact OE1-NZ 3.44Å; E708-K774 IonicContact OE2-NZ 3.66Å; E708-K774 PolarHBondContact OE2-NZ 3.12Å; M771-K774 HydrophobicContact CB-CB 4.46Å; M771-K774 HydrophobicContact CE-CD 3.68Å; M771-K774 PolarHBondContact O-N 3.02Å; P772-K774 PolarHBondContact O-N 2.94Å; K774-N776 PolarHBondContact O-N 3.43Å; K774-N776 VanDerWaalsContact O-N 3.14Å; K774-E777 HydrophobicContact CB-CB 4.24Å; K774-E777 WeakPolarHBondContact CD-OE2 3.29Å; K774-E777 IonicContact NZ-OE2 2.7Å; K774-E777 PolarHBondContact NZ-OE2 3.43Å; K774-E777 WeakPolarHBondContact O-CA 3.26Å; K774-E777 VanDerWaalsContact O-CB 3.25Å; K774-E777 WeakPolarHBondContact O-CB 3.4Å; K774-E777 PolarHBondContact O-N 2.86Å; K774-W778 PolarHBondContact O-N 3Å; K774-W778 PolarHBondContact O-NE1 3.45Å |
| 775 | E | 84.2 | Confident | 88.5 | Confident | 29 Ų | 29 | 28.9 Ų | 28.9 | 14% | 0.136 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -48.6 | -46.2 | -179.3 | -172.1 | -167 | 151.7 | 0 | 0 | 112.4 | P772 E777 W778 R779 | P772-E775 PolarHBondContact O-N 2.88Å; E775-E777 PolarHBondContact O-N 2.88Å; E775-W778 VanDerWaalsContact CA-CE2 3.48Å; E775-W778 HydrophobicContact CB-CH2 4.21Å; E775-W778 HydrophobicContact CB-CZ2 3.93Å; E775-W778 HydrophobicContact CG-CH2 3.74Å; E775-W778 HydrophobicContact CG-CZ2 3.99Å; E775-W778 HydrophobicContact CG-CZ3 4.12Å; E775-W778 PolarHBondContact O-N 3.08Å; E775-W778 VanDerWaalsContact O-N 3.13Å; E775-R779 HydrophobicContact CG-CB 4.46Å; E775-R779 WeakPolarHBondContact O-CB 3.5Å; E775-R779 PolarHBondContact O-N 2.66Å; E775-R779 IonicContact OE1-NH1 2.75Å |
| 776 | N | 80.8 | Confident | 88.3 | Confident | 58 Ų | 58 | 31.9 Ų | 31.9 | 31% | 0.31 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.4 | -19.5 | 178.7 | -70 | -26.3 | 0 | 0 | 0 | 114 | M462 K774 | M462-N776 WeakPolarHBondContact CB-O 3.35Å; K774-N776 PolarHBondContact O-N 3.43Å; K774-N776 VanDerWaalsContact O-N 3.14Å |
| 777 | E | 86.9 | Confident | 88 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -90.7 | -23.2 | -179.1 | -69.3 | -179.1 | -161.3 | 0 | 0 | 113.3 | Q458 M462 H710 K774 E775 | Q458-E777 HydrophobicContact CB-CB 4.38Å; Q458-E777 HydrophobicContact CB-CG 4.15Å; Q458-E777 HydrophobicContact CG-CB 3.65Å; Q458-E777 HydrophobicContact CG-CG 3.94Å; Q458-E777 PolarHBondContact NE2-O 2.87Å; M462-E777 WeakPolarHBondContact CE-O 3.47Å; M462-E777 WeakPolarHBondContact CG-O 3.43Å; H710-E777 IonicContact CD2-OE2 3.84Å; H710-E777 IonicContact CE1-OE2 3Å; H710-E777 IonicContact NE2-OE2 3.96Å; H710-E777 PolarHBondContact NE2-OE2 2.64Å; K774-E777 HydrophobicContact CB-CB 4.24Å; K774-E777 WeakPolarHBondContact CD-OE2 3.29Å; K774-E777 IonicContact NZ-OE2 2.7Å; K774-E777 PolarHBondContact NZ-OE2 3.43Å; K774-E777 WeakPolarHBondContact O-CA 3.26Å; K774-E777 VanDerWaalsContact O-CB 3.25Å; K774-E777 WeakPolarHBondContact O-CB 3.4Å; K774-E777 PolarHBondContact O-N 2.86Å; E775-E777 PolarHBondContact O-N 2.88Å |
| 778 | W | 89 | Confident | 87.9 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -122.9 | -6.4 | -178.1 | 54.1 | -108.4 | 0 | 0 | 0 | 114.4 | H710 L767 E768 M771 K774 E775 L780 I781 V782 | H710-W778 HydrophobicContact CB-CB 4.38Å; H710-W778 AromaticContact CD2-CD1 3.99Å; L767-W778 HydrophobicContact CB-CD2 3.91Å; L767-W778 HydrophobicContact CB-CE3 4.21Å; L767-W778 HydrophobicContact CB-CG 4.26Å; L767-W778 HydrophobicContact CB-CZ2 4.4Å; L767-W778 HydrophobicContact CD1-CB 4.26Å; L767-W778 HydrophobicContact CD1-CG 4.41Å; L767-W778 HydrophobicContact CD2-CB 4.07Å; L767-W778 HydrophobicContact CD2-CD2 4.47Å; L767-W778 HydrophobicContact CD2-CG 3.92Å; L767-W778 HydrophobicContact CG-CG 4.43Å; E768-W778 HydrophobicContact CB-CH2 4.49Å; E768-W778 HydrophobicContact CG-CH2 3.78Å; E768-W778 HydrophobicContact CG-CZ3 4.27Å; M771-W778 PolarHBondContact O-NE1 3.23Å; K774-W778 PolarHBondContact O-N 3Å; K774-W778 PolarHBondContact O-NE1 3.45Å; E775-W778 VanDerWaalsContact CA-CE2 3.48Å; E775-W778 HydrophobicContact CB-CH2 4.21Å; E775-W778 HydrophobicContact CB-CZ2 3.93Å; E775-W778 HydrophobicContact CG-CH2 3.74Å; E775-W778 HydrophobicContact CG-CZ2 3.99Å; E775-W778 HydrophobicContact CG-CZ3 4.12Å; E775-W778 PolarHBondContact O-N 3.08Å; E775-W778 VanDerWaalsContact O-N 3.13Å; W778-L780 PolarHBondContact O-N 2.96Å; W778-I781 WeakPolarHBondContact O-CB 3.34Å; W778-I781 PolarHBondContact O-N 2.78Å; W778-I781 VanDerWaalsContact O-N 3.1Å; W778-V782 HydrophobicContact CD2-CG2 4.35Å; W778-V782 HydrophobicContact CE3-CB 3.85Å; W778-V782 HydrophobicContact CE3-CG2 3.34Å; W778-V782 HydrophobicContact CZ3-CB 3.96Å; W778-V782 HydrophobicContact CZ3-CG1 4.17Å; W778-V782 HydrophobicContact CZ3-CG2 3.68Å; W778-V782 PolarHBondContact O-N 2.82Å; W778-V782 VanDerWaalsContact O-N 3.08Å |
| 779 | R | 86.9 | Confident | 87.9 | Confident | 61 Ų | 61 | 39 Ų | 39 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.4 | -49.5 | -174.2 | 176.4 | 171.5 | 175.7 | 160.4 | 2.4 | 114.3 | E775 I781 V782 D783 | E775-R779 HydrophobicContact CG-CB 4.46Å; E775-R779 WeakPolarHBondContact O-CB 3.5Å; E775-R779 PolarHBondContact O-N 2.66Å; E775-R779 IonicContact OE1-NH1 2.75Å; R779-I781 PolarHBondContact O-N 2.75Å; R779-V782 CarbonylContact O-C 3.54Å; R779-V782 PolarHBondContact O-N 2.7Å; R779-V782 VanDerWaalsContact O-N 3.09Å; R779-D783 WeakPolarHBondContact CG-OD2 3.37Å; R779-D783 IonicContact NE-OD2 3.78Å; R779-D783 PolarHBondContact O-N 3.08Å |
| 780 | L | 87.6 | Confident | 87.8 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -33.4 | -177.4 | -59.5 | 175.1 | 0 | 0 | 0 | 112.4 | V288 M462 L465 L469 W778 K784 | V288-L780 HydrophobicContact CG2-CD2 4.17Å; M462-L780 HydrophobicContact CE-CB 3.62Å; M462-L780 HydrophobicContact CE-CD1 3.88Å; M462-L780 HydrophobicContact CE-CG 3.84Å; M462-L780 HydrophobicContact SD-CD1 4.41Å; L465-L780 HydrophobicContact CB-CD1 4.03Å; L465-L780 HydrophobicContact CD2-CD1 3.66Å; L465-L780 HydrophobicContact CG-CD1 3.81Å; L469-L780 HydrophobicContact CD1-CD1 4.27Å; L469-L780 HydrophobicContact CD1-CD2 4.41Å; W778-L780 PolarHBondContact O-N 2.96Å; L780-K784 WeakPolarHBondContact O-CB 3.49Å; L780-K784 PolarHBondContact O-N 3.38Å; L780-K784 VanDerWaalsContact O-N 3.1Å |
| 781 | I | 91.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.4 | -42.9 | 176.7 | -62.3 | 163.6 | 0 | 0 | 0 | 109.4 | S325 M462 A714 Q717 W723 W778 R779 A785 | S325-I781 WeakPolarHBondContact OG-CG1 3.32Å; M462-I781 HydrophobicContact CE-CG1 4.45Å; A714-I781 HydrophobicContact CB-CD1 3.33Å; A714-I781 HydrophobicContact CB-CG1 4.41Å; Q717-I781 PolarHBondContact NE2-O 2.93Å; W723-I781 HydrophobicContact CH2-CG2 3.72Å; W723-I781 HydrophobicContact CZ2-CG2 3.62Å; W778-I781 WeakPolarHBondContact O-CB 3.34Å; W778-I781 PolarHBondContact O-N 2.78Å; W778-I781 VanDerWaalsContact O-N 3.1Å; R779-I781 PolarHBondContact O-N 2.75Å; I781-A785 PolarHBondContact O-N 3.21Å; I781-A785 VanDerWaalsContact O-N 3.09Å |
| 782 | V | 92 | Very high | 87.7 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.7 | -41.1 | 175.7 | 166.9 | 0 | 0 | 0 | 0 | 112 | I764 L767 W778 R779 K784 A785 K786 | I764-V782 HydrophobicContact CG1-CG1 4.38Å; I764-V782 HydrophobicContact CG2-CG1 3.92Å; L767-V782 HydrophobicContact CB-CG2 4.35Å; L767-V782 HydrophobicContact CD1-CG2 3.5Å; W778-V782 HydrophobicContact CD2-CG2 4.35Å; W778-V782 HydrophobicContact CE3-CB 3.85Å; W778-V782 HydrophobicContact CE3-CG2 3.34Å; W778-V782 HydrophobicContact CZ3-CB 3.96Å; W778-V782 HydrophobicContact CZ3-CG1 4.17Å; W778-V782 HydrophobicContact CZ3-CG2 3.68Å; W778-V782 PolarHBondContact O-N 2.82Å; W778-V782 VanDerWaalsContact O-N 3.08Å; R779-V782 CarbonylContact O-C 3.54Å; R779-V782 PolarHBondContact O-N 2.7Å; R779-V782 VanDerWaalsContact O-N 3.09Å; V782-K784 VanDerWaalsContact C-N 3.31Å; V782-K784 PolarHBondContact O-N 3.23Å; V782-A785 WeakPolarHBondContact O-CB 3.4Å; V782-A785 PolarHBondContact O-N 2.79Å; V782-A785 VanDerWaalsContact O-N 3.12Å; V782-K786 HydrophobicContact CG1-CD 3.87Å; V782-K786 HydrophobicContact CG1-CG 4.16Å; V782-K786 WeakPolarHBondContact O-CB 3.3Å; V782-K786 WeakPolarHBondContact O-CG 3.09Å; V782-K786 PolarHBondContact O-N 2.95Å |
| 783 | D | 88.1 | Confident | 87.7 | Confident | 50 Ų | 50 | 37 Ų | 37 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.7 | -73.6 | -18.7 | 0 | 0 | 0 | 110.8 | R779 A785 K786 Y787 | R779-D783 WeakPolarHBondContact CG-OD2 3.37Å; R779-D783 IonicContact NE-OD2 3.78Å; R779-D783 PolarHBondContact O-N 3.08Å; D783-A785 VanDerWaalsContact C-N 3.35Å; D783-A785 PolarHBondContact O-N 3.01Å; D783-K786 PolarHBondContact O-N 2.93Å; D783-Y787 WeakPolarHBondContact O-CB 3.13Å; D783-Y787 PolarHBondContact O-N 2.84Å |
| 784 | K | 90.1 | Very high | 87.8 | Confident | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 173.9 | -171.3 | 175.3 | 178.4 | 170.2 | 0 | 112.1 | K324 L326 Y351 F719 L780 V782 Y787 W788 | K324-K784 PolarHBondContact O-NZ 3.2Å; L326-K784 PolarHBondContact O-NZ 3.24Å; Y351-K784 PolarHBondContact OH-NZ 2.92Å; F719-K784 WeakPolarHBondContact O-CE 3.48Å; F719-K784 PolarHBondContact O-NZ 3.1Å; F719-K784 VanDerWaalsContact O-NZ 3.14Å; L780-K784 WeakPolarHBondContact O-CB 3.49Å; L780-K784 PolarHBondContact O-N 3.38Å; L780-K784 VanDerWaalsContact O-N 3.1Å; V782-K784 VanDerWaalsContact C-N 3.31Å; V782-K784 PolarHBondContact O-N 3.23Å; K784-Y787 PolarHBondContact O-N 3.44Å; K784-W788 PolarHBondContact O-N 2.88Å |
| 785 | A | 93.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.2 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | G721 W723 T760 I764 I781 V782 D783 Y787 W788 L789 | G721-A785 VanDerWaalsContact O-CA 3.28Å; G721-A785 WeakPolarHBondContact O-CA 3.32Å; G721-A785 WeakPolarHBondContact O-CB 3.42Å; W723-A785 HydrophobicContact CE3-CB 4.32Å; W723-A785 HydrophobicContact CH2-CB 3.94Å; W723-A785 HydrophobicContact CZ3-CB 3.36Å; T760-A785 HydrophobicContact CG2-CB 4.08Å; I764-A785 HydrophobicContact CD1-CB 3.85Å; I764-A785 HydrophobicContact CG1-CB 4.02Å; I781-A785 PolarHBondContact O-N 3.21Å; I781-A785 VanDerWaalsContact O-N 3.09Å; V782-A785 WeakPolarHBondContact O-CB 3.4Å; V782-A785 PolarHBondContact O-N 2.79Å; V782-A785 VanDerWaalsContact O-N 3.12Å; D783-A785 VanDerWaalsContact C-N 3.35Å; D783-A785 PolarHBondContact O-N 3.01Å; A785-Y787 VanDerWaalsContact C-N 3.34Å; A785-W788 PolarHBondContact O-N 2.67Å; A785-L789 WeakPolarHBondContact O-CB 3.28Å; A785-L789 PolarHBondContact O-N 2.73Å |
| 786 | K | 91.8 | Very high | 87.1 | Confident | 64 Ų | 64 | 44 Ų | 44 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.1 | -75.5 | 178.8 | 177.1 | 173.2 | 0 | 110.8 | I764 E768 V782 D783 W788 L789 N790 I811 | I764-K786 HydrophobicContact CD1-CG 4Å; E768-K786 VanDerWaalsContact OE1-CE 3.28Å; E768-K786 WeakPolarHBondContact OE1-CE 2.9Å; E768-K786 IonicContact OE1-NZ 2.81Å; E768-K786 PolarHBondContact OE1-NZ 3.46Å; V782-K786 HydrophobicContact CG1-CD 3.87Å; V782-K786 HydrophobicContact CG1-CG 4.16Å; V782-K786 WeakPolarHBondContact O-CB 3.3Å; V782-K786 WeakPolarHBondContact O-CG 3.09Å; V782-K786 PolarHBondContact O-N 2.95Å; D783-K786 PolarHBondContact O-N 2.93Å; K786-W788 PolarHBondContact O-N 2.88Å; K786-L789 PolarHBondContact O-N 3.38Å; K786-N790 WeakPolarHBondContact O-CB 3.41Å; K786-N790 PolarHBondContact O-N 2.98Å; K786-N790 PolarHBondContact O-ND2 2.89Å; K786-I811 HydrophobicContact CG-CD1 4.39Å |
| 787 | Y | 88.4 | Confident | 86.2 | Confident | 146 Ų | 146 | 44 Ų | 44 | 57% | 0.573 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -58.9 | -46.7 | 174.3 | 178.3 | -93.4 | 0 | 0 | 0 | 112.1 | D783 K784 A785 N790 T791 | D783-Y787 WeakPolarHBondContact O-CB 3.13Å; D783-Y787 PolarHBondContact O-N 2.84Å; K784-Y787 PolarHBondContact O-N 3.44Å; A785-Y787 VanDerWaalsContact C-N 3.34Å; Y787-N790 PolarHBondContact O-N 2.86Å; Y787-T791 PolarHBondContact O-N 3.25Å; Y787-T791 VanDerWaalsContact O-N 3.09Å; Y787-T791 PolarHBondContact O-OG1 2.98Å |
| 788 | W | 91.8 | Very high | 84.7 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 176.9 | 178.8 | 86.8 | 0 | 0 | 0 | 112.4 | S720 F722 V756 T757 T760 K784 A785 K786 N790 T791 Q792 | S720-W788 WeakPolarHBondContact O-CB 3.21Å; F722-W788 HydrophobicContact CB-CD2 3.67Å; F722-W788 HydrophobicContact CB-CE3 3.59Å; F722-W788 HydrophobicContact CB-CG 4.42Å; F722-W788 HydrophobicContact CB-CH2 3.71Å; F722-W788 HydrophobicContact CB-CZ2 3.76Å; F722-W788 HydrophobicContact CB-CZ3 3.62Å; F722-W788 HydrophobicContact CD1-CD2 4.2Å; F722-W788 AromaticContact CD1-CE2 3.53Å; F722-W788 HydrophobicContact CD1-CH2 4.43Å; F722-W788 AromaticContact CD1-CZ2 3.67Å; F722-W788 HydrophobicContact CD1-CZ2 3.67Å; F722-W788 AromaticContact CD1-NE1 3.58Å; F722-W788 HydrophobicContact CG-CD2 4.4Å; F722-W788 AromaticContact CG-CE2 3.98Å; F722-W788 HydrophobicContact CG-CH2 4.18Å; F722-W788 AromaticContact CG-CZ2 3.87Å; F722-W788 HydrophobicContact CG-CZ2 3.87Å; V756-W788 HydrophobicContact CB-CH2 4.27Å; V756-W788 HydrophobicContact CG1-CH2 3.48Å; V756-W788 VanDerWaalsContact CG1-CH2 3.48Å; V756-W788 HydrophobicContact CG1-CZ2 3.99Å; V756-W788 HydrophobicContact CG1-CZ3 4.29Å; T757-W788 HydrophobicContact CG2-CH2 3.95Å; T757-W788 HydrophobicContact CG2-CZ3 4.06Å; T760-W788 HydrophobicContact CG2-CE3 4.18Å; T760-W788 HydrophobicContact CG2-CZ3 4.28Å; K784-W788 PolarHBondContact O-N 2.88Å; A785-W788 PolarHBondContact O-N 2.67Å; K786-W788 PolarHBondContact O-N 2.88Å; W788-N790 VanDerWaalsContact C-N 3.33Å; W788-N790 PolarHBondContact O-N 3.25Å; W788-T791 WeakPolarHBondContact O-CA 3.43Å; W788-T791 WeakPolarHBondContact O-CB 3.32Å; W788-T791 PolarHBondContact O-N 2.87Å; W788-Q792 HydrophobicContact CD2-CG 3.93Å; W788-Q792 HydrophobicContact CE3-CG 4.04Å; W788-Q792 HydrophobicContact CH2-CG 3.6Å; W788-Q792 HydrophobicContact CZ2-CG 3.47Å; W788-Q792 VanDerWaalsContact CZ2-CG 3.47Å; W788-Q792 HydrophobicContact CZ3-CG 3.89Å; W788-Q792 PolarHBondContact O-N 3.36Å |
| 789 | L | 91.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | -179.4 | -169.2 | 64.2 | 0 | 0 | 0 | 111.2 | F752 T757 A785 K786 T791 Q792 G793 C807 L810 I811 | F752-L789 HydrophobicContact CE2-CD1 4.27Å; F752-L789 HydrophobicContact CZ-CD1 3.85Å; F752-L789 HydrophobicContact CZ-CG 4.12Å; T757-L789 HydrophobicContact CG2-CD1 3.98Å; A785-L789 WeakPolarHBondContact O-CB 3.28Å; A785-L789 PolarHBondContact O-N 2.73Å; K786-L789 PolarHBondContact O-N 3.38Å; L789-T791 VanDerWaalsContact C-N 3.29Å; L789-T791 PolarHBondContact O-N 3.43Å; L789-Q792 PolarHBondContact O-N 2.77Å; L789-Q792 VanDerWaalsContact O-N 3.16Å; L789-G793 PolarHBondContact O-N 3.22Å; L789-C807 VanDerWaalsContact C-SG 3.55Å; L789-C807 HydrophobicContact CD2-CB 4.09Å; L789-C807 HydrophobicContact CG-CB 4.19Å; L789-C807 PolarHBondContact O-SG 2.77Å; L789-L810 HydrophobicContact CD1-CD2 4.17Å; L789-L810 HydrophobicContact CD2-CD2 4.45Å; L789-I811 HydrophobicContact CD2-CD1 4.25Å; L789-I811 HydrophobicContact CD2-CG1 4.13Å |
| 790 | N | 89.3 | Confident | 81.1 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 172.7 | -79.9 | -44.4 | 0 | 0 | 0 | 112.5 | K786 Y787 W788 G793 Q794 S804 C807 | K786-N790 WeakPolarHBondContact O-CB 3.41Å; K786-N790 PolarHBondContact O-N 2.98Å; K786-N790 PolarHBondContact O-ND2 2.89Å; Y787-N790 PolarHBondContact O-N 2.86Å; W788-N790 VanDerWaalsContact C-N 3.33Å; W788-N790 PolarHBondContact O-N 3.25Å; N790-G793 PolarHBondContact O-N 2.8Å; N790-Q794 WeakPolarHBondContact O-CG 3.48Å; N790-Q794 PolarHBondContact O-N 3.22Å; N790-S804 WeakPolarHBondContact OD1-CA 3.46Å; N790-C807 VanDerWaalsContact CA-SG 3.52Å; N790-C807 WeakPolarHBondContact OD1-CB 3.42Å; N790-C807 PolarHBondContact OD1-SG 3.3Å |
| 791 | T | 87.1 | Confident | 79.7 | Confident | 34 Ų | 34 | 67.9 Ų | 67.9 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 176.2 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | Y787 W788 L789 G793 Q794 M795 | Y787-T791 PolarHBondContact O-N 3.25Å; Y787-T791 VanDerWaalsContact O-N 3.09Å; Y787-T791 PolarHBondContact O-OG1 2.98Å; W788-T791 WeakPolarHBondContact O-CA 3.43Å; W788-T791 WeakPolarHBondContact O-CB 3.32Å; W788-T791 PolarHBondContact O-N 2.87Å; L789-T791 VanDerWaalsContact C-N 3.29Å; L789-T791 PolarHBondContact O-N 3.43Å; T791-G793 VanDerWaalsContact C-N 3.32Å; T791-G793 PolarHBondContact O-N 2.97Å; T791-Q794 PolarHBondContact O-N 3.36Å; T791-M795 HydrophobicContact CG2-CE 3.84Å; T791-M795 HydrophobicContact CG2-SD 4.48Å; T791-M795 WeakPolarHBondContact O-CG 3.26Å; T791-M795 PolarHBondContact O-N 2.81Å |
| 792 | Q | 87 | Confident | 78.6 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 173.8 | -62.1 | -51.9 | -51.9 | 0 | 0 | 112.3 | F752 T757 W788 L789 M795 N796 | F752-Q792 HydrophobicContact CD2-CB 4.49Å; F752-Q792 HydrophobicContact CE2-CB 4Å; T757-Q792 HydrophobicContact CG2-CB 4.27Å; T757-Q792 HydrophobicContact CG2-CG 4.41Å; W788-Q792 HydrophobicContact CD2-CG 3.93Å; W788-Q792 HydrophobicContact CE3-CG 4.04Å; W788-Q792 HydrophobicContact CH2-CG 3.6Å; W788-Q792 HydrophobicContact CZ2-CG 3.47Å; W788-Q792 VanDerWaalsContact CZ2-CG 3.47Å; W788-Q792 HydrophobicContact CZ3-CG 3.89Å; W788-Q792 PolarHBondContact O-N 3.36Å; L789-Q792 PolarHBondContact O-N 2.77Å; L789-Q792 VanDerWaalsContact O-N 3.16Å; Q792-M795 PolarHBondContact O-N 3.12Å; Q792-N796 WeakPolarHBondContact O-CB 3.36Å; Q792-N796 PolarHBondContact O-N 3.36Å; Q792-N796 VanDerWaalsContact O-N 3.14Å; Q792-N796 PolarHBondContact O-ND2 2.93Å |
| 793 | G | 82.8 | Confident | 77.2 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L789 N790 T791 M795 N796 Q797 | L789-G793 PolarHBondContact O-N 3.22Å; N790-G793 PolarHBondContact O-N 2.8Å; T791-G793 VanDerWaalsContact C-N 3.32Å; T791-G793 PolarHBondContact O-N 2.97Å; G793-M795 PolarHBondContact O-N 2.88Å; G793-N796 PolarHBondContact O-N 2.79Å; G793-Q797 WeakPolarHBondContact O-CG 3.45Å; G793-Q797 PolarHBondContact O-N 2.92Å |
| 794 | Q | 80.8 | Confident | 76.5 | Confident | 125 Ų | 125 | 73 Ų | 73 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.8 | -41.5 | 175.7 | -72.6 | 174.6 | 14 | 0 | 0 | 112.8 | N790 T791 N796 P803 | N790-Q794 WeakPolarHBondContact O-CG 3.48Å; N790-Q794 PolarHBondContact O-N 3.22Å; T791-Q794 PolarHBondContact O-N 3.36Å; Q794-N796 VanDerWaalsContact C-N 3.35Å; Q794-P803 HydrophobicContact CG-CB 3.65Å; Q794-P803 HydrophobicContact CG-CG 3.53Å |
| 795 | M | 80.1 | Confident | 76 | Confident | 136 Ų | 136 | 76.7 Ų | 76.7 | 67% | 0.67 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.1 | -29.9 | -179.3 | -71.1 | 179.7 | 177.9 | 0 | 0 | 113.2 | T791 Q792 G793 | T791-M795 HydrophobicContact CG2-CE 3.84Å; T791-M795 HydrophobicContact CG2-SD 4.48Å; T791-M795 WeakPolarHBondContact O-CG 3.26Å; T791-M795 PolarHBondContact O-N 2.81Å; Q792-M795 PolarHBondContact O-N 3.12Å; G793-M795 PolarHBondContact O-N 2.88Å |
| 796 | N | 72.3 | Confident | 75.4 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 33% | 0.332 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -94.1 | -11.5 | -174.7 | -74 | -49.4 | 0 | 0 | 0 | 114.5 | F752 Q792 G793 Q794 K798 | F752-N796 HydrophobicContact CB-CB 4.3Å; F752-N796 HydrophobicContact CD2-CB 4.45Å; Q792-N796 WeakPolarHBondContact O-CB 3.36Å; Q792-N796 PolarHBondContact O-N 3.36Å; Q792-N796 VanDerWaalsContact O-N 3.14Å; Q792-N796 PolarHBondContact O-ND2 2.93Å; G793-N796 PolarHBondContact O-N 2.79Å; Q794-N796 VanDerWaalsContact C-N 3.35Å; N796-K798 PolarHBondContact O-N 2.93Å |
| 797 | Q | 62.4 | Low | 75.1 | Confident | 59 Ų | 59 | 74.8 Ų | 74.8 | 28% | 0.276 | 37% | 0.374 | S | S | . | . | trans | -81.9 | 117.6 | -178.3 | -82.7 | -178.8 | -4.2 | 0 | 0 | 113.4 | G793 K801 S806 | G793-Q797 WeakPolarHBondContact O-CG 3.45Å; G793-Q797 PolarHBondContact O-N 2.92Å; Q797-K801 PolarHBondContact NE2-O 3.34Å; Q797-K801 VanDerWaalsContact NE2-O 3.16Å; Q797-K801 PolarHBondContact OE1-O 3.04Å; Q797-S806 PolarHBondContact NE2-OG 3.35Å; Q797-S806 VanDerWaalsContact NE2-OG 3.09Å | ||
| 798 | K | 55.4 | Low | 75.2 | Confident | 213 Ų | 213 | 72.5 Ų | 72.5 | 93% | 0.926 | 37% | 0.371 | S | S | * | . | trans | -95.6 | -7.3 | 151.9 | -75.8 | -178.5 | 176.5 | 176.6 | 0 | 112.7 | N796 | N796-K798 PolarHBondContact O-N 2.93Š| ||
| 799 | D | 49.1 | Very low | 75 | Confident | 130 Ų | 130 | 75 Ų | 75 | 70% | 0.695 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -111.5 | 151 | -170.8 | -72.7 | -40.9 | 0 | 0 | 0 | 113.1 | K801 | D799-K801 VanDerWaalsContact C-N 3.29Å; D799-K801 PolarHBondContact O-N 3.46Å |
| 800 | T | 50.8 | Low | 75 | Confident | 155 Ų | 155 | 75.5 Ų | 75.5 | 95% | 0.951 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -68.7 | 13.5 | -164.5 | 42.1 | 0 | 0 | 0 | 0 | 118.5 | ||
| 801 | K | 57.6 | Low | 75.2 | Confident | 105 Ų | 105 | 73.6 Ų | 73.6 | 46% | 0.457 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -85.5 | 151.1 | 178.5 | -78.8 | -167.8 | 173 | -168.1 | 0 | 112 | Q797 D799 E809 | Q797-K801 PolarHBondContact NE2-O 3.34Å; Q797-K801 VanDerWaalsContact NE2-O 3.16Å; Q797-K801 PolarHBondContact OE1-O 3.04Å; D799-K801 VanDerWaalsContact C-N 3.29Å; D799-K801 PolarHBondContact O-N 3.46Å; K801-E809 IonicContact NZ-OE1 2.69Å; K801-E809 PolarHBondContact NZ-OE1 3.48Å; K801-E809 IonicContact NZ-OE2 3.76Å |
| 802 | N | 68.7 | Low | 75.5 | Confident | 91 Ų | 91 | 75.4 Ų | 75.4 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | trans | -66.8 | 129.8 | 172.7 | -168.3 | -4.1 | 0 | 0 | 0 | 109.5 | S804 E805 S806 | N802-S804 PolarHBondContact ND2-OG 3.15Å; N802-S804 PolarHBondContact O-N 3Å; N802-S804 VanDerWaalsContact O-N 3.15Å; N802-E805 HydrophobicContact CB-CG 4.1Å; N802-E805 WeakPolarHBondContact O-CB 3.33Å; N802-E805 PolarHBondContact O-N 2.89Å; N802-E805 VanDerWaalsContact O-N 3.08Å; N802-S806 PolarHBondContact O-N 3.16Å | ||
| 803 | P | 63.3 | Low | 75.8 | Confident | 26 Ų | 26 | 77.3 Ų | 77.3 | 17% | 0.169 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -52.6 | -34.5 | -179.3 | -29.4 | 31.8 | 0 | 0 | 0 | 114.9 | Q794 S806 C807 | Q794-P803 HydrophobicContact CG-CB 3.65Å; Q794-P803 HydrophobicContact CG-CG 3.53Å; P803-S806 PolarHBondContact O-N 2.8Å; P803-C807 PolarHBondContact O-N 3.31Å; P803-C807 PolarHBondContact O-SG 3Å |
| 804 | S | 72.7 | Confident | 76.4 | Confident | 42 Ų | 42 | 77.2 Ų | 77.2 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 177.8 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | N790 N802 S806 C807 D808 | N790-S804 WeakPolarHBondContact OD1-CA 3.46Å; N802-S804 PolarHBondContact ND2-OG 3.15Å; N802-S804 PolarHBondContact O-N 3Å; N802-S804 VanDerWaalsContact O-N 3.15Å; S804-S806 VanDerWaalsContact C-N 3.3Å; S804-S806 PolarHBondContact O-N 2.87Å; S804-C807 PolarHBondContact O-N 2.93Å; S804-C807 VanDerWaalsContact O-N 3.15Å; S804-D808 PolarHBondContact O-N 3.11Å |
| 805 | E | 79.7 | Confident | 77.1 | Confident | 98 Ų | 98 | 74.7 Ų | 74.7 | 46% | 0.458 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 179.4 | -67.1 | 174.3 | 174.7 | 0 | 0 | 111.6 | N802 C807 D808 E809 | N802-E805 HydrophobicContact CB-CG 4.1Å; N802-E805 WeakPolarHBondContact O-CB 3.33Å; N802-E805 PolarHBondContact O-N 2.89Å; N802-E805 VanDerWaalsContact O-N 3.08Å; E805-C807 VanDerWaalsContact C-N 3.29Å; E805-C807 PolarHBondContact O-N 3.04Å; E805-D808 PolarHBondContact O-N 2.93Å; E805-E809 WeakPolarHBondContact O-CB 3.04Å; E805-E809 VanDerWaalsContact O-CG 3.29Å; E805-E809 WeakPolarHBondContact O-CG 3.41Å; E805-E809 PolarHBondContact O-N 2.95Å |
| 806 | S | 80.8 | Confident | 77.7 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.8 | -33.2 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | Q797 N802 P803 S804 L810 | Q797-S806 PolarHBondContact NE2-OG 3.35Å; Q797-S806 VanDerWaalsContact NE2-OG 3.09Å; N802-S806 PolarHBondContact O-N 3.16Å; P803-S806 PolarHBondContact O-N 2.8Å; S804-S806 VanDerWaalsContact C-N 3.3Å; S804-S806 PolarHBondContact O-N 2.87Å; S806-L810 PolarHBondContact O-N 2.78Å |
| 807 | C | 86.4 | Confident | 78.7 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.014 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -74.6 | -45.6 | 177.6 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | L789 N790 P803 S804 E805 E809 L810 I811 | L789-C807 VanDerWaalsContact C-SG 3.55Å; L789-C807 HydrophobicContact CD2-CB 4.09Å; L789-C807 HydrophobicContact CG-CB 4.19Å; L789-C807 PolarHBondContact O-SG 2.77Å; N790-C807 VanDerWaalsContact CA-SG 3.52Å; N790-C807 WeakPolarHBondContact OD1-CB 3.42Å; N790-C807 PolarHBondContact OD1-SG 3.3Å; P803-C807 PolarHBondContact O-N 3.31Å; P803-C807 PolarHBondContact O-SG 3Å; S804-C807 PolarHBondContact O-N 2.93Å; S804-C807 VanDerWaalsContact O-N 3.15Å; E805-C807 VanDerWaalsContact C-N 3.29Å; E805-C807 PolarHBondContact O-N 3.04Å; C807-E809 VanDerWaalsContact C-N 3.33Å; C807-E809 PolarHBondContact O-N 2.75Å; C807-L810 WeakPolarHBondContact O-CB 3.41Å; C807-L810 PolarHBondContact O-N 2.82Å; C807-L810 VanDerWaalsContact O-N 3.08Å; C807-I811 WeakPolarHBondContact O-CG1 3.2Å; C807-I811 PolarHBondContact O-N 2.87Å |
| 808 | D | 88.6 | Confident | 80.2 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.1 | -65 | -27.5 | 0 | 0 | 0 | 111.4 | S804 E805 L810 I811 E812 | S804-D808 PolarHBondContact O-N 3.11Å; E805-D808 PolarHBondContact O-N 2.93Å; D808-L810 VanDerWaalsContact C-N 3.29Å; D808-L810 PolarHBondContact O-N 2.9Å; D808-I811 PolarHBondContact O-N 2.87Å; D808-E812 WeakPolarHBondContact O-CB 3.39Å; D808-E812 PolarHBondContact O-N 3.28Å |
| 809 | E | 89.3 | Confident | 82 | Confident | 82 Ų | 82 | 61 Ų | 61 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59 | -38.5 | 172.6 | -80 | -178.2 | -161.5 | 0 | 0 | 112.1 | K801 E805 C807 K813 | K801-E809 IonicContact NZ-OE1 2.69Å; K801-E809 PolarHBondContact NZ-OE1 3.48Å; K801-E809 IonicContact NZ-OE2 3.76Å; E805-E809 WeakPolarHBondContact O-CB 3.04Å; E805-E809 VanDerWaalsContact O-CG 3.29Å; E805-E809 WeakPolarHBondContact O-CG 3.41Å; E805-E809 PolarHBondContact O-N 2.95Å; C807-E809 VanDerWaalsContact C-N 3.33Å; C807-E809 PolarHBondContact O-N 2.75Å; E809-K813 VanDerWaalsContact O-CG 3.27Å; E809-K813 WeakPolarHBondContact O-CG 3.36Å; E809-K813 PolarHBondContact O-N 2.93Å; E809-K813 VanDerWaalsContact O-N 3.09Å |
| 810 | L | 91.4 | Very high | 84.1 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.9 | -42.6 | 179.9 | -174.1 | 65.3 | 0 | 0 | 0 | 111.8 | F752 L753 W758 A761 L789 S806 C807 D808 E812 K813 A814 | F752-L810 HydrophobicContact CD1-CD2 4.41Å; F752-L810 HydrophobicContact CE1-CB 4.25Å; F752-L810 HydrophobicContact CE1-CD2 3.68Å; F752-L810 HydrophobicContact CZ-CD2 4.14Å; L753-L810 HydrophobicContact CD1-CD1 3.68Å; W758-L810 HydrophobicContact CE3-CD1 3.79Å; W758-L810 HydrophobicContact CE3-CG 4.41Å; W758-L810 HydrophobicContact CZ3-CD1 3.98Å; A761-L810 HydrophobicContact CB-CD2 3.96Å; A761-L810 HydrophobicContact CB-CG 3.74Å; L789-L810 HydrophobicContact CD1-CD2 4.17Å; L789-L810 HydrophobicContact CD2-CD2 4.45Å; S806-L810 PolarHBondContact O-N 2.78Å; C807-L810 WeakPolarHBondContact O-CB 3.41Å; C807-L810 PolarHBondContact O-N 2.82Å; C807-L810 VanDerWaalsContact O-N 3.08Å; D808-L810 VanDerWaalsContact C-N 3.29Å; D808-L810 PolarHBondContact O-N 2.9Å; L810-E812 VanDerWaalsContact C-N 3.34Å; L810-K813 PolarHBondContact O-N 3.33Å; L810-A814 PolarHBondContact O-N 2.81Å |
| 811 | I | 93.5 | Very high | 85.9 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.3 | -63.9 | 167.4 | 0 | 0 | 0 | 110.1 | A761 I764 A765 K786 L789 C807 D808 K813 A814 R815 | A761-I811 HydrophobicContact CB-CG1 4.41Å; I764-I811 HydrophobicContact CD1-CD1 4.15Å; I764-I811 HydrophobicContact CD1-CG1 4.48Å; I764-I811 HydrophobicContact CG2-CD1 4.16Å; I764-I811 HydrophobicContact CG2-CG1 4.47Å; I764-I811 HydrophobicContact CG2-CG2 4.04Å; A765-I811 HydrophobicContact CB-CG2 4.35Å; K786-I811 HydrophobicContact CG-CD1 4.39Å; L789-I811 HydrophobicContact CD2-CD1 4.25Å; L789-I811 HydrophobicContact CD2-CG1 4.13Å; C807-I811 WeakPolarHBondContact O-CG1 3.2Å; C807-I811 PolarHBondContact O-N 2.87Å; D808-I811 PolarHBondContact O-N 2.87Å; I811-K813 PolarHBondContact O-N 3.42Å; I811-A814 WeakPolarHBondContact O-CB 2.88Å; I811-A814 PolarHBondContact O-N 3.49Å; I811-R815 WeakPolarHBondContact O-CB 3.37Å; I811-R815 PolarHBondContact O-N 3.44Å |
| 812 | E | 93.9 | Very high | 87.4 | Confident | 71 Ų | 71 | 53.3 Ų | 53.3 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 176.5 | 178.3 | 52.9 | -147.7 | 0 | 0 | 112.1 | D808 L810 A814 R815 Q816 | D808-E812 WeakPolarHBondContact O-CB 3.39Å; D808-E812 PolarHBondContact O-N 3.28Å; L810-E812 VanDerWaalsContact C-N 3.34Å; E812-A814 PolarHBondContact O-N 3.2Å; E812-R815 WeakPolarHBondContact O-CB 3.46Å; E812-R815 PolarHBondContact O-N 2.83Å; E812-R815 IonicContact OE2-CZ 2.75Å; E812-R815 IonicContact OE2-NH1 3.31Å; E812-R815 PolarHBondContact OE2-NH1 2.75Å; E812-Q816 WeakPolarHBondContact O-CG 3.49Å; E812-Q816 PolarHBondContact O-N 3.08Å; E812-Q816 PolarHBondContact OE1-NE2 3.22Å |
| 813 | K | 93.2 | Very high | 88.1 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 38% | 0.378 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 172.7 | -72.8 | 170.3 | -171.1 | 173.3 | 0 | 111.9 | F743 W758 E809 L810 I811 R815 Q816 V817 | F743-K813 HydrophobicContact CZ-CB 4.25Å; F743-K813 HydrophobicContact CZ-CD 4Å; W758-K813 HydrophobicContact CZ3-CB 4.34Å; E809-K813 VanDerWaalsContact O-CG 3.27Å; E809-K813 WeakPolarHBondContact O-CG 3.36Å; E809-K813 PolarHBondContact O-N 2.93Å; E809-K813 VanDerWaalsContact O-N 3.09Å; L810-K813 PolarHBondContact O-N 3.33Å; I811-K813 PolarHBondContact O-N 3.42Å; K813-R815 VanDerWaalsContact C-N 3.33Å; K813-R815 PolarHBondContact O-N 3.15Å; K813-Q816 PolarHBondContact O-N 2.64Å; K813-V817 WeakPolarHBondContact O-CG2 3.42Å; K813-V817 PolarHBondContact O-N 3.5Å |
| 814 | A | 94.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | W758 A761 L762 A765 L810 I811 E812 Q816 V817 L818 | W758-A814 HydrophobicContact CE3-CB 4.4Å; W758-A814 VanDerWaalsContact CH2-CA 3.42Å; W758-A814 HydrophobicContact CH2-CB 3.89Å; W758-A814 HydrophobicContact CZ3-CB 3.7Å; A761-A814 HydrophobicContact CB-CB 3.96Å; A761-A814 WeakPolarHBondContact O-CB 3.16Å; L762-A814 HydrophobicContact CD2-CB 4.07Å; L762-A814 HydrophobicContact CG-CB 4.38Å; A765-A814 HydrophobicContact CB-CB 3.9Å; L810-A814 PolarHBondContact O-N 2.81Å; I811-A814 WeakPolarHBondContact O-CB 2.88Å; I811-A814 PolarHBondContact O-N 3.49Å; E812-A814 PolarHBondContact O-N 3.2Å; A814-Q816 PolarHBondContact O-N 3.41Å; A814-V817 PolarHBondContact O-N 2.74Å; A814-L818 WeakPolarHBondContact O-CB 3.42Å; A814-L818 WeakPolarHBondContact O-CG 3.44Å; A814-L818 PolarHBondContact O-N 2.85Å |
| 815 | R | 94.3 | Very high | 88.1 | Confident | 72 Ų | 72 | 58.7 Ų | 58.7 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 175.4 | -169.7 | -178.9 | -65.3 | 139.1 | -4.5 | 112.3 | A765 E768 I811 E812 K813 T819 | A765-R815 HydrophobicContact CB-CB 4.09Å; E768-R815 IonicContact OE2-CZ 3.55Å; E768-R815 IonicContact OE2-NH2 2.78Å; E768-R815 PolarHBondContact OE2-NH2 2.83Å; I811-R815 WeakPolarHBondContact O-CB 3.37Å; I811-R815 PolarHBondContact O-N 3.44Å; E812-R815 WeakPolarHBondContact O-CB 3.46Å; E812-R815 PolarHBondContact O-N 2.83Å; E812-R815 IonicContact OE2-CZ 2.75Å; E812-R815 IonicContact OE2-NH1 3.31Å; E812-R815 PolarHBondContact OE2-NH1 2.75Å; K813-R815 VanDerWaalsContact C-N 3.33Å; K813-R815 PolarHBondContact O-N 3.15Å; R815-T819 VanDerWaalsContact O-CB 3.3Å; R815-T819 WeakPolarHBondContact O-CB 3.43Å; R815-T819 PolarHBondContact O-N 2.94Å; R815-T819 PolarHBondContact O-OG1 3.04Å |
| 816 | Q | 94 | Very high | 87 | Confident | 113 Ų | 113 | 59.7 Ų | 59.7 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 176.4 | -69.8 | 171.3 | 14.4 | 0 | 0 | 112.2 | E812 K813 A814 T819 K820 | E812-Q816 WeakPolarHBondContact O-CG 3.49Å; E812-Q816 PolarHBondContact O-N 3.08Å; E812-Q816 PolarHBondContact OE1-NE2 3.22Å; K813-Q816 PolarHBondContact O-N 2.64Å; A814-Q816 PolarHBondContact O-N 3.41Å; Q816-T819 PolarHBondContact O-N 3.41Å; Q816-K820 PolarHBondContact O-N 3.38Å |
| 817 | V | 93.5 | Very high | 85.3 | Confident | 27 Ų | 27 | 63.6 Ų | 63.6 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -49.6 | 176.9 | 171 | 0 | 0 | 0 | 0 | 110.8 | F743 W758 K813 A814 T819 K820 L821 | F743-V817 HydrophobicContact CB-CG2 4.47Å; F743-V817 HydrophobicContact CD2-CG2 3.89Å; F743-V817 HydrophobicContact CG-CG2 4.34Å; W758-V817 HydrophobicContact CH2-CB 4.3Å; W758-V817 HydrophobicContact CH2-CG2 3.96Å; W758-V817 HydrophobicContact CZ2-CB 4.2Å; W758-V817 HydrophobicContact CZ2-CG1 4.24Å; W758-V817 HydrophobicContact CZ2-CG2 4.02Å; K813-V817 WeakPolarHBondContact O-CG2 3.42Å; K813-V817 PolarHBondContact O-N 3.5Å; A814-V817 PolarHBondContact O-N 2.74Å; V817-T819 PolarHBondContact O-N 2.79Å; V817-K820 WeakPolarHBondContact O-CB 3.47Å; V817-K820 PolarHBondContact O-N 3.35Å; V817-L821 HydrophobicContact CG1-CD1 3.7Å; V817-L821 HydrophobicContact CG1-CG 4.32Å; V817-L821 WeakPolarHBondContact O-CG 3.3Å; V817-L821 PolarHBondContact O-N 3.05Å |
| 818 | L | 93.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 178 | -73.3 | 174.1 | 0 | 0 | 0 | 111.8 | I735 L740 L762 A765 F766 L769 A814 K820 L821 L822 | I735-L818 HydrophobicContact CD1-CD2 3.78Å; L740-L818 HydrophobicContact CD2-CD2 4.26Å; L762-L818 HydrophobicContact CD2-CD1 4.19Å; L762-L818 HydrophobicContact CD2-CD2 3.97Å; L762-L818 HydrophobicContact CD2-CG 3.82Å; L762-L818 WeakPolarHBondContact O-CD1 3.21Å; A765-L818 HydrophobicContact CB-CD1 3.89Å; F766-L818 HydrophobicContact CB-CD1 3.88Å; L769-L818 HydrophobicContact CD2-CB 4.28Å; A814-L818 WeakPolarHBondContact O-CB 3.42Å; A814-L818 WeakPolarHBondContact O-CG 3.44Å; A814-L818 PolarHBondContact O-N 2.85Å; L818-K820 VanDerWaalsContact C-N 3.26Å; L818-K820 PolarHBondContact O-N 2.97Å; L818-L821 PolarHBondContact O-N 3.36Å; L818-L821 VanDerWaalsContact O-N 3.16Å; L818-L822 HydrophobicContact CB-CD1 4.41Å; L818-L822 WeakPolarHBondContact O-CB 3.36Å; L818-L822 VanDerWaalsContact O-CG 3.27Å; L818-L822 WeakPolarHBondContact O-CG 3.34Å; L818-L822 PolarHBondContact O-N 3.01Å |
| 819 | T | 92.7 | Very high | 82.8 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 26% | 0.258 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.3 | -39.7 | 177.1 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | L769 R815 Q816 V817 K823 | L769-T819 WeakPolarHBondContact CD2-OG1 3.39Å; R815-T819 VanDerWaalsContact O-CB 3.3Å; R815-T819 WeakPolarHBondContact O-CB 3.43Å; R815-T819 PolarHBondContact O-N 2.94Å; R815-T819 PolarHBondContact O-OG1 3.04Å; Q816-T819 PolarHBondContact O-N 3.41Å; V817-T819 PolarHBondContact O-N 2.79Å; T819-K823 HydrophobicContact CG2-CD 4.32Å; T819-K823 WeakPolarHBondContact O-CB 3.47Å; T819-K823 WeakPolarHBondContact O-CD 3.44Å; T819-K823 WeakPolarHBondContact O-CG 3.43Å; T819-K823 PolarHBondContact O-N 2.92Å |
| 820 | K | 92.4 | Very high | 82.5 | Confident | 163 Ų | 163 | 73.5 Ų | 73.5 | 71% | 0.709 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68 | -44.6 | 176.6 | -174.7 | -175.6 | 176.4 | -170.2 | 0 | 111.6 | Q816 V817 L818 S824 | Q816-K820 PolarHBondContact O-N 3.38Å; V817-K820 WeakPolarHBondContact O-CB 3.47Å; V817-K820 PolarHBondContact O-N 3.35Å; L818-K820 VanDerWaalsContact C-N 3.26Å; L818-K820 PolarHBondContact O-N 2.97Å; K820-S824 PolarHBondContact O-N 3.47Å |
| 821 | L | 90.5 | Very high | 82 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71 | -45.2 | -176.9 | -67.1 | 175.4 | 0 | 0 | 0 | 111.9 | I735 N739 L740 V817 L818 K823 S824 T825 | I735-L821 HydrophobicContact CD1-CB 3.91Å; I735-L821 HydrophobicContact CD1-CD1 4.49Å; I735-L821 HydrophobicContact CG2-CB 4.4Å; I735-L821 HydrophobicContact CG2-CD1 3.92Å; N739-L821 HydrophobicContact CB-CD1 4.19Å; N739-L821 HydrophobicContact CB-CD2 4Å; L740-L821 HydrophobicContact CD2-CD1 3.94Å; V817-L821 HydrophobicContact CG1-CD1 3.7Å; V817-L821 HydrophobicContact CG1-CG 4.32Å; V817-L821 WeakPolarHBondContact O-CG 3.3Å; V817-L821 PolarHBondContact O-N 3.05Å; L818-L821 PolarHBondContact O-N 3.36Å; L818-L821 VanDerWaalsContact O-N 3.16Å; L821-K823 VanDerWaalsContact C-N 3.32Å; L821-K823 PolarHBondContact O-N 2.71Å; L821-S824 WeakPolarHBondContact O-CA 3.2Å; L821-S824 WeakPolarHBondContact O-CB 3.23Å; L821-S824 PolarHBondContact O-N 3.47Å; L821-S824 PolarHBondContact O-OG 3.32Å; L821-T825 PolarHBondContact O-N 3.21Å; L821-T825 VanDerWaalsContact O-N 3.16Å; L821-T825 PolarHBondContact O-OG1 2.85Å |
| 822 | L | 87.9 | Confident | 81.3 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 178.9 | -68.2 | 169.3 | 0 | 0 | 0 | 112.8 | I735 L769 L818 S824 T825 T826 | I735-L822 HydrophobicContact CD1-CD2 3.98Å; I735-L822 HydrophobicContact CD1-CG 4.19Å; I735-L822 HydrophobicContact CG1-CD2 4.41Å; L769-L822 HydrophobicContact CD2-CD1 4.14Å; L818-L822 HydrophobicContact CB-CD1 4.41Å; L818-L822 WeakPolarHBondContact O-CB 3.36Å; L818-L822 VanDerWaalsContact O-CG 3.27Å; L818-L822 WeakPolarHBondContact O-CG 3.34Å; L818-L822 PolarHBondContact O-N 3.01Å; L822-S824 VanDerWaalsContact C-N 3.31Å; L822-S824 PolarHBondContact O-N 3.08Å; L822-T825 PolarHBondContact O-N 3.08Å; L822-T826 PolarHBondContact O-N 2.66Å; L822-T826 PolarHBondContact O-OG1 2.71Å |
| 823 | K | 83.8 | Confident | 80.5 | Confident | 142 Ų | 142 | 81.7 Ų | 81.7 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.5 | -32.7 | 171.3 | -75.8 | 176.8 | -177.4 | -180 | 0 | 112.8 | T819 L821 T826 | T819-K823 HydrophobicContact CG2-CD 4.32Å; T819-K823 WeakPolarHBondContact O-CB 3.47Å; T819-K823 WeakPolarHBondContact O-CD 3.44Å; T819-K823 WeakPolarHBondContact O-CG 3.43Å; T819-K823 PolarHBondContact O-N 2.92Å; L821-K823 VanDerWaalsContact C-N 3.32Å; L821-K823 PolarHBondContact O-N 2.71Å; K823-T826 PolarHBondContact O-OG1 3.11Å |
| 824 | S | 74.3 | Confident | 79.7 | Confident | 61 Ų | 61 | 81.3 Ų | 81.3 | 43% | 0.427 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -74.1 | -29 | 178.5 | 77.3 | 0 | 0 | 0 | 0 | 112.8 | K820 L821 L822 | K820-S824 PolarHBondContact O-N 3.47Å; L821-S824 WeakPolarHBondContact O-CA 3.2Å; L821-S824 WeakPolarHBondContact O-CB 3.23Å; L821-S824 PolarHBondContact O-N 3.47Å; L821-S824 PolarHBondContact O-OG 3.32Å; L822-S824 VanDerWaalsContact C-N 3.31Å; L822-S824 PolarHBondContact O-N 3.08Å |
| 825 | T | 60.8 | Low | 78.6 | Confident | 68 Ų | 68 | 87.1 Ų | 87.1 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -77 | -35.8 | 178.9 | -33.5 | 0 | 0 | 0 | 0 | 112.2 | L821 L822 S827 | L821-T825 PolarHBondContact O-N 3.21Å; L821-T825 VanDerWaalsContact O-N 3.16Å; L821-T825 PolarHBondContact O-OG1 2.85Å; L822-T825 PolarHBondContact O-N 3.08Å; T825-S827 VanDerWaalsContact C-N 3.35Å |
| 826 | T | 57.1 | Low | 77.4 | Confident | 119 Ų | 119 | 88.3 Ų | 88.3 | 73% | 0.73 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -77.2 | -15.9 | 178.9 | 36.6 | 0 | 0 | 0 | 0 | 114.4 | L822 K823 | L822-T826 PolarHBondContact O-N 2.66Å; L822-T826 PolarHBondContact O-OG1 2.71Å; K823-T826 PolarHBondContact O-OG1 3.11Å |
| 827 | S | 46.2 | Very low | 76 | Confident | 105 Ų | 105 | 86.3 Ų | 86.3 | 73% | 0.734 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -5.4 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 113.9 | T825 | T825-S827 VanDerWaalsContact C-N 3.35Š|
| 828 | K | 39.4 | Very low | 74.4 | Confident | 241 Ų | 241 | 91.6 Ų | 91.6 | 100% | 1.048 | 48% | 0.481 | S | S | * | . | trans | -104.6 | 0 | 172.9 | -76.3 | -176.5 | 177.1 | 178.3 | 0 | 109.4 |
Retrieved 828 of 828 residues in 837.2 ms
(Link to these results)