| 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 | 37.9 | Very low | 52.8 | Low | 205 Ų | 205 | 67.6 Ų | 67.6 | 100% | 1.01 | 38% | 0.378 | S | S | * | . | 0 | 146.2 | 0 | -68.5 | -169.9 | 175.3 | 0 | 0 | 107.4 | |||||
| 2 | P | 50.8 | Low | 51.1 | Low | 53 Ų | 53 | 69.2 Ų | 69.2 | 34% | 0.344 | 40% | 0.395 | S | S | . | . | trans | -58.8 | 138.3 | 168.7 | 25.9 | -31.4 | 0 | 0 | 0 | 109.3 | T350 P352 | P2-T350 WeakPolarHBondContact CG-OG1 3.4Å; P2-T350 PolarHBondContact O-N 3.35Å; P2-T350 PolarHBondContact O-OG1 2.64Å; P2-P352 HydrophobicContact CG-CB 4.07Å; P2-P352 HydrophobicContact CG-CG 4.08Å | ||
| 3 | E | 47.7 | Very low | 50 | Low | 71 Ų | 71 | 69.4 Ų | 69.4 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 145.1 | -177.7 | 63.2 | -179.4 | -173.1 | 0 | 0 | 110.2 | R5 T347 L348 | E3-R5 HydrophobicContact CG-CG 4.5Å; E3-R5 IonicContact OE1-CZ 3.71Å; E3-R5 IonicContact OE1-NE 2.93Å; E3-R5 PolarHBondContact OE1-NE 3.09Å; E3-R5 IonicContact OE1-NH2 3.6Å; E3-R5 PolarHBondContact OE1-NH2 3.18Å; E3-T347 HydrophobicContact CB-CG2 3.92Å; E3-T347 HydrophobicContact CG-CG2 4.35Å; E3-T347 WeakPolarHBondContact OE2-CG2 3.33Å; E3-L348 WeakPolarHBondContact CA-O 3.18Å |
| 4 | I | 67.3 | Low | 48.4 | Very low | 7 Ų | 7 | 72.4 Ų | 72.4 | 4% | 0.036 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.7 | 172.9 | -57.7 | 171.1 | 0 | 0 | 0 | 107.6 | V6 V75 N100 L101 T347 L348 T350 | I4-V6 HydrophobicContact CG2-CG2 4.02Å; I4-V75 HydrophobicContact CD1-CG2 3.9Å; I4-V75 HydrophobicContact CG2-CG2 4.09Å; I4-N100 HydrophobicContact CD1-CB 4.04Å; I4-L101 HydrophobicContact CD1-CB 4.39Å; I4-L101 HydrophobicContact CG2-CD2 4.05Å; I4-T347 WeakPolarHBondContact O-CA 3.35Å; I4-L348 HydrophobicContact CB-CB 4.39Å; I4-L348 PolarHBondContact N-O 3.04Å; I4-L348 VanDerWaalsContact N-O 3.08Å; I4-L348 PolarHBondContact O-N 3.49Å; I4-T350 HydrophobicContact CD1-CG2 3.88Å; I4-T350 HydrophobicContact CG1-CG2 4.04Å |
| 5 | R | 55.1 | Low | 47.3 | Very low | 123 Ų | 123 | 69.3 Ų | 69.3 | 46% | 0.464 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.8 | 175.4 | -66 | -173.3 | -174.2 | -160.4 | 0.7 | 110.9 | E3 T345 V346 | E3-R5 HydrophobicContact CG-CG 4.5Å; E3-R5 IonicContact OE1-CZ 3.71Å; E3-R5 IonicContact OE1-NE 2.93Å; E3-R5 PolarHBondContact OE1-NE 3.09Å; E3-R5 IonicContact OE1-NH2 3.6Å; E3-R5 PolarHBondContact OE1-NH2 3.18Å; R5-T345 HydrophobicContact CB-CG2 4.28Å; R5-V346 WeakPolarHBondContact CA-O 3.2Å |
| 6 | V | 67.6 | Low | 46 | Very low | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.03 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.9 | 178.7 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | I4 L101 I103 L313 T345 V346 | I4-V6 HydrophobicContact CG2-CG2 4.02Å; V6-L101 HydrophobicContact CG2-CD2 3.73Å; V6-I103 HydrophobicContact CG1-CD1 4.16Å; V6-I103 HydrophobicContact CG2-CD1 4.25Å; V6-L313 HydrophobicContact CB-CD1 4.1Å; V6-L313 HydrophobicContact CG1-CD1 4.07Å; V6-T345 WeakPolarHBondContact O-CA 3.41Å; V6-V346 PolarHBondContact N-O 3.1Å; V6-V346 PolarHBondContact O-N 3.26Å |
| 7 | T | 60.4 | Low | 45.5 | Very low | 38 Ų | 38 | 70.6 Ų | 70.6 | 23% | 0.233 | 40% | 0.403 | C | S | . | . | trans | -126 | 116.2 | 177.3 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | L9 E344 T345 | T7-L9 HydrophobicContact CG2-CD2 4.49Å; T7-E344 WeakPolarHBondContact CA-O 3.37Å; T7-T345 PolarHBondContact OG1-OG1 3.34Å | ||
| 8 | P | 56.7 | Low | 44.6 | Very low | 7 Ų | 7 | 74 Ų | 74 | 5% | 0.045 | 42% | 0.42 | C | S | . | . | trans | -73.9 | 132 | 175.4 | -8.5 | 23.4 | 0 | 0 | 0 | 112.2 | L15 P340 N342 G343 E344 | P8-L15 VanDerWaalsContact CA-CD2 3.48Å; P8-L15 HydrophobicContact CB-CD2 4.06Å; P8-P340 HydrophobicContact CG-CB 3.95Å; P8-P340 HydrophobicContact CG-CG 3.62Å; P8-N342 CarbonylContact O-C 3.58Å; P8-N342 WeakPolarHBondContact O-CA 3.49Å; P8-G343 PolarHBondContact O-N 2.95Å; P8-E344 WeakPolarHBondContact CD-O 3.45Å | ||
| 9 | L | 54.8 | Low | 44 | Very low | 108 Ų | 108 | 73.8 Ų | 73.8 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | trans | -106.8 | 11.1 | -177.8 | -70 | -170.5 | 0 | 0 | 0 | 115.7 | T7 S16 | T7-L9 HydrophobicContact CG2-CD2 4.49Å; L9-S16 WeakPolarHBondContact CD1-OG 3.48Å | ||
| 10 | G | 44.4 | Very low | 43.4 | Very low | 26 Ų | 26 | 75.6 Ų | 75.6 | 27% | 0.268 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 106.8 | -166.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | C12 N342 | G10-C12 PolarHBondContact O-N 3.44Å; G10-N342 PolarHBondContact N-OD1 2.86Å |
| 11 | A | 38.6 | Very low | 43 | Very low | 101 Ų | 101 | 75.5 Ų | 75.5 | 84% | 0.835 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -74.6 | 25.9 | -156.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 12 | C | 32.1 | Very low | 42.6 | Very low | 86 Ų | 86 | 71 Ų | 71 | 58% | 0.581 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -117.7 | 148.2 | 166.2 | -83.9 | 0 | 0 | 0 | 0 | 108.6 | G10 V14 | G10-C12 PolarHBondContact O-N 3.44Å; C12-V14 HydrophobicContact CB-CG2 4.48Å; C12-V14 PolarHBondContact O-N 2.92Å |
| 13 | P | 36.8 | Very low | 41.4 | Very low | 72 Ų | 72 | 75 Ų | 75 | 47% | 0.468 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -67.6 | 19.6 | 176.5 | 29.6 | -34.9 | 0 | 0 | 0 | 113.4 | Y77 | P13-Y77 PolarHBondContact O-OH 3.44Å; P13-Y77 VanDerWaalsContact O-OH 3.1Å |
| 14 | V | 27.9 | Very low | 40.6 | Very low | 112 Ų | 112 | 73.9 Ų | 73.9 | 68% | 0.679 | 45% | 0.447 | S | S | * | . | trans | -101 | 91.2 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 107.1 | C12 | C12-V14 HydrophobicContact CB-CG2 4.48Å; C12-V14 PolarHBondContact O-N 2.92Å | ||
| 15 | L | 31.1 | Very low | 38.9 | Very low | 26 Ų | 26 | 85.5 Ų | 85.5 | 14% | 0.136 | 49% | 0.49 | C | S | . | . | trans | -83.5 | 135.5 | 164.3 | -72 | 166.8 | 0 | 0 | 0 | 108.2 | P8 W17 Y77 I103 V315 | P8-L15 VanDerWaalsContact CA-CD2 3.48Å; P8-L15 HydrophobicContact CB-CD2 4.06Å; L15-W17 HydrophobicContact CB-CE3 3.49Å; L15-W17 VanDerWaalsContact CB-CE3 3.49Å; L15-W17 HydrophobicContact CB-CZ3 3.48Å; L15-W17 VanDerWaalsContact CB-CZ3 3.48Å; L15-W17 HydrophobicContact CD1-CE3 4.18Å; L15-W17 HydrophobicContact CD1-CZ3 3.83Å; L15-W17 HydrophobicContact CG-CE3 4.47Å; L15-W17 HydrophobicContact CG-CZ3 4.28Å; L15-Y77 HydrophobicContact CD1-CD2 4.07Å; L15-Y77 HydrophobicContact CD1-CE2 3.47Å; L15-Y77 VanDerWaalsContact CD1-CE2 3.47Å; L15-I103 HydrophobicContact CD1-CG2 4.19Å; L15-V315 HydrophobicContact CD1-CG1 4.4Å | ||
| 16 | S | 27.1 | Very low | 37.7 | Very low | 68 Ų | 68 | 82.6 Ų | 82.6 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | trans | -96.4 | 126.7 | 159.7 | 72.6 | 0 | 0 | 0 | 0 | 108.2 | L9 | L9-S16 WeakPolarHBondContact CD1-OG 3.48Š| ||
| 17 | W | 37.8 | Very low | 35.8 | Very low | 92 Ų | 92 | 87 Ų | 87 | 35% | 0.348 | 53% | 0.529 | S | S | . | . | trans | -130.2 | 145.3 | 171.9 | 51.4 | 68 | 0 | 0 | 0 | 109.4 | L15 I68 Y77 | L15-W17 HydrophobicContact CB-CE3 3.49Å; L15-W17 VanDerWaalsContact CB-CE3 3.49Å; L15-W17 HydrophobicContact CB-CZ3 3.48Å; L15-W17 VanDerWaalsContact CB-CZ3 3.48Å; L15-W17 HydrophobicContact CD1-CE3 4.18Å; L15-W17 HydrophobicContact CD1-CZ3 3.83Å; L15-W17 HydrophobicContact CG-CE3 4.47Å; L15-W17 HydrophobicContact CG-CZ3 4.28Å; W17-I68 HydrophobicContact CZ2-CD1 3.88Å; W17-Y77 AromaticContact CH2-CD1 3.71Å; W17-Y77 HydrophobicContact CH2-CD1 3.71Å; W17-Y77 HydrophobicContact CH2-CD2 4.14Å; W17-Y77 HydrophobicContact CH2-CE1 4.3Å; W17-Y77 AromaticContact CH2-CG 3.6Å; W17-Y77 HydrophobicContact CH2-CG 3.6Å; W17-Y77 HydrophobicContact CZ3-CD1 4.24Å; W17-Y77 AromaticContact CZ3-CD2 3.94Å; W17-Y77 HydrophobicContact CZ3-CD2 3.94Å; W17-Y77 HydrophobicContact CZ3-CE2 4.34Å; W17-Y77 AromaticContact CZ3-CG 3.9Å; W17-Y77 HydrophobicContact CZ3-CG 3.9Å | ||
| 18 | N | 28.1 | Very low | 34.4 | Very low | 132 Ų | 132 | 97.5 Ų | 97.5 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | trans | -114.3 | 116.4 | 172.8 | -77.4 | -25.4 | 0 | 0 | 0 | 108.2 | ||||
| 19 | L | 34.4 | Very low | 33.1 | Very low | 70 Ų | 70 | 101.5 Ų | 101.5 | 37% | 0.366 | 60% | 0.598 | S | S | . | * | trans | -86 | 113.4 | 164.9 | -170.5 | 73.7 | 0 | 0 | 0 | 107.3 | L21 V70 | L19-L21 HydrophobicContact CD2-CD1 3.77Å; L19-L21 HydrophobicContact CD2-CD2 4.45Å; L19-L21 HydrophobicContact CD2-CG 4.14Å; L19-L21 HydrophobicContact CG-CD1 4.26Å; L19-L21 HydrophobicContact CG-CD2 4.42Å; L19-L21 HydrophobicContact CG-CG 4.11Å; L19-V70 HydrophobicContact CD2-CB 3.67Å; L19-V70 HydrophobicContact CD2-CG1 4.41Å; L19-V70 HydrophobicContact CD2-CG2 3.3Å | ||
| 20 | V | 30.8 | Very low | 31.9 | Very low | 110 Ų | 110 | 102.6 Ų | 102.6 | 67% | 0.667 | 61% | 0.612 | S | S | * | * | trans | -92.8 | 116.4 | -179.1 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 21 | L | 36 | Very low | 31.3 | Very low | 74 Ų | 74 | 106.2 Ų | 106.2 | 39% | 0.387 | 63% | 0.633 | S | S | . | * | trans | -128 | 149 | -179.3 | -65.4 | 170.5 | 0 | 0 | 0 | 111.3 | L19 V70 | L19-L21 HydrophobicContact CD2-CD1 3.77Å; L19-L21 HydrophobicContact CD2-CD2 4.45Å; L19-L21 HydrophobicContact CD2-CG 4.14Å; L19-L21 HydrophobicContact CG-CD1 4.26Å; L19-L21 HydrophobicContact CG-CD2 4.42Å; L19-L21 HydrophobicContact CG-CG 4.11Å; L21-V70 HydrophobicContact CD1-CB 3.87Å; L21-V70 HydrophobicContact CD1-CG1 3.13Å; L21-V70 HydrophobicContact CD1-CG2 4.31Å; L21-V70 HydrophobicContact CG-CG1 4.45Å | ||
| 22 | P | 28.2 | Very low | 30.9 | Very low | 110 Ų | 110 | 106.7 Ų | 106.7 | 71% | 0.714 | 63% | 0.63 | S | S | * | * | trans | -68.9 | 154.8 | 172.2 | 28.3 | -31.9 | 0 | 0 | 0 | 111.9 | ||||
| 23 | P | 27.2 | Very low | 30.8 | Very low | 137 Ų | 137 | 107.9 Ų | 107.9 | 89% | 0.89 | 64% | 0.635 | S | S | * | * | trans | -76.4 | 129.9 | -171.3 | 28.6 | -32.7 | 0 | 0 | 0 | 113.2 | ||||
| 24 | G | 30.5 | Very low | 30.6 | Very low | 47 Ų | 47 | 109.4 Ų | 109.4 | 49% | 0.485 | 64% | 0.639 | S | S | . | * | trans | -127.5 | 141 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 25 | R | 32.2 | Very low | 30.8 | Very low | 252 Ų | 252 | 110.4 Ų | 110.4 | 95% | 0.951 | 65% | 0.645 | S | S | * | * | trans | -91 | 141.1 | -175.3 | -72.1 | -178.1 | -178.1 | -163.4 | 0.4 | 111.8 | ||||
| 26 | G | 28.5 | Very low | 31 | Very low | 61 Ų | 61 | 120 Ų | 120 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | trans | -88.5 | 158.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | D48 | G26-D48 VanDerWaalsContact C-OD2 3.29Å; G26-D48 WeakPolarHBondContact CA-OD2 3.3Å | ||
| 27 | S | 29.2 | Very low | 31.5 | Very low | 97 Ų | 97 | 118.8 Ų | 118.8 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | trans | -158.5 | 139.9 | 160.2 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | D48 | S27-D48 PolarHBondContact N-OD2 2.86Š| ||
| 28 | R | 30.1 | Very low | 31 | Very low | 260 Ų | 260 | 117.3 Ų | 117.3 | 98% | 0.981 | 68% | 0.683 | S | S | * | * | trans | -75.4 | 143.6 | -170.6 | -83.3 | 176.8 | 168.6 | 177.7 | -3.6 | 114.9 | ||||
| 29 | A | 30 | Very low | 31.3 | Very low | 90 Ų | 90 | 113.5 Ų | 113.5 | 74% | 0.744 | 66% | 0.66 | S | S | * | * | trans | -138.9 | 159.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 30 | P | 29.9 | Very low | 31.2 | Very low | 132 Ų | 132 | 117 Ų | 117 | 86% | 0.857 | 67% | 0.674 | S | S | * | * | trans | -89.6 | 155.7 | -158.4 | 35.4 | -33.3 | 0 | 0 | 0 | 114.8 | ||||
| 31 | S | 30.3 | Very low | 31.6 | Very low | 101 Ų | 101 | 115.1 Ų | 115.1 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | trans | -80.8 | 140 | -178.1 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 32 | S | 30.4 | Very low | 31.6 | Very low | 111 Ų | 111 | 116.3 Ų | 116.3 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | trans | -123.5 | 143.2 | 162.8 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 33 | T | 30.1 | Very low | 32 | Very low | 111 Ų | 111 | 115.2 Ų | 115.2 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | trans | -101.3 | 121.1 | -176.6 | 33.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 34 | D | 32.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 56% | 0.556 | 65% | 0.65 | S | S | * | * | trans | -98.5 | 114.6 | 163.1 | -174.7 | -1.3 | 0 | 0 | 0 | 110.3 | R36 | D34-R36 PolarHBondContact O-N 3.35Å; D34-R36 PolarHBondContact OD1-N 3.23Å; D34-R36 VanDerWaalsContact OD1-N 3.11Å | ||
| 35 | T | 32.5 | Very low | 32.8 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 82% | 0.816 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -2.3 | -177.4 | 50.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 36 | R | 34.8 | Very low | 33.2 | Very low | 229 Ų | 229 | 110.2 Ų | 110.2 | 86% | 0.864 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -24.4 | -178.6 | -79 | -175.8 | -178.5 | 178.3 | 3.4 | 115.3 | D34 | D34-R36 PolarHBondContact O-N 3.35Å; D34-R36 PolarHBondContact OD1-N 3.23Å; D34-R36 VanDerWaalsContact OD1-N 3.11Å |
| 37 | T | 37.1 | Very low | 34.2 | Very low | 42 Ų | 42 | 110.4 Ų | 110.4 | 26% | 0.258 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -99.2 | -15.2 | -172.8 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | F39 | T37-F39 WeakPolarHBondContact O-CD2 3.44Å; T37-F39 PolarHBondContact O-N 2.89Å |
| 38 | G | 29.1 | Very low | 35.6 | Very low | 61 Ų | 61 | 110.6 Ų | 110.6 | 63% | 0.629 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 61.7 | 8.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 39 | F | 34 | Very low | 37.8 | Very low | 51 Ų | 51 | 103.8 Ų | 103.8 | 22% | 0.224 | 61% | 0.612 | C | S | . | * | trans | -115.9 | 127.3 | 177.6 | -71.1 | -77.8 | 0 | 0 | 0 | 108.8 | T37 V41 A54 A64 W187 | T37-F39 WeakPolarHBondContact O-CD2 3.44Å; T37-F39 PolarHBondContact O-N 2.89Å; F39-V41 PolarHBondContact O-N 3.09Å; F39-A54 HydrophobicContact CB-CB 4.2Å; F39-A54 HydrophobicContact CD1-CB 3.69Å; F39-A54 HydrophobicContact CD2-CB 3.89Å; F39-A54 HydrophobicContact CE1-CB 3.87Å; F39-A54 HydrophobicContact CE2-CB 4.07Å; F39-A54 HydrophobicContact CG-CB 3.69Å; F39-A54 HydrophobicContact CZ-CB 4.05Å; F39-A64 HydrophobicContact CE1-CB 4.48Å; F39-A64 HydrophobicContact CZ-CB 3.92Å; F39-W187 AromaticContact CD1-CH2 3.65Å; F39-W187 HydrophobicContact CD1-CH2 3.65Å; F39-W187 HydrophobicContact CD1-CZ3 4.37Å; F39-W187 AromaticContact CD2-CH2 3.98Å; F39-W187 HydrophobicContact CD2-CH2 3.98Å; F39-W187 HydrophobicContact CD2-CZ3 4.12Å; F39-W187 AromaticContact CE1-CH2 3.24Å; F39-W187 HydrophobicContact CE1-CH2 3.24Å; F39-W187 HydrophobicContact CE1-CZ2 4.28Å; F39-W187 AromaticContact CE1-CZ3 3.65Å; F39-W187 HydrophobicContact CE1-CZ3 3.65Å; F39-W187 AromaticContact CE2-CH2 3.6Å; F39-W187 HydrophobicContact CE2-CH2 3.6Å; F39-W187 AromaticContact CE2-CZ3 3.35Å; F39-W187 HydrophobicContact CE2-CZ3 3.35Å; F39-W187 HydrophobicContact CG-CH2 4.02Å; F39-W187 HydrophobicContact CZ-CE3 4.3Å; F39-W187 AromaticContact CZ-CH2 3.22Å; F39-W187 HydrophobicContact CZ-CH2 3.22Å; F39-W187 AromaticContact CZ-CZ3 3.08Å; F39-W187 HydrophobicContact CZ-CZ3 3.08Å | ||
| 40 | H | 31.9 | Very low | 40.4 | Very low | 145 Ų | 145 | 102 Ų | 102 | 67% | 0.671 | 59% | 0.589 | S | S | * | * | trans | -66 | 124.6 | 165.7 | -79.7 | -85.3 | 0 | 0 | 0 | 108.5 | L42 | H40-L42 HydrophobicContact CB-CD2 4.19Å; H40-L42 HydrophobicContact CB-CG 4.5Å; H40-L42 PolarHBondContact O-N 3.31Å | ||
| 41 | V | 38.1 | Very low | 43.1 | Very low | 70 Ų | 70 | 99.8 Ų | 99.8 | 42% | 0.424 | 57% | 0.568 | S | S | . | * | trans | -58.4 | 110.1 | 153.4 | -179.5 | 0 | 0 | 0 | 0 | 104.4 | F39 P43 | F39-V41 PolarHBondContact O-N 3.09Å; V41-P43 WeakPolarHBondContact O-CD 3.36Å | ||
| 42 | L | 36 | Very low | 46 | Very low | 99 Ų | 99 | 98.3 Ų | 98.3 | 52% | 0.518 | 55% | 0.551 | S | S | . | * | trans | -89 | 101.6 | 172.6 | -69.6 | 176.3 | 0 | 0 | 0 | 106.4 | H40 H44 | H40-L42 HydrophobicContact CB-CD2 4.19Å; H40-L42 HydrophobicContact CB-CG 4.5Å; H40-L42 PolarHBondContact O-N 3.31Å; L42-H44 HydrophobicContact CB-CB 4.35Å; L42-H44 PolarHBondContact O-N 3.02Å | ||
| 43 | P | 37.8 | Very low | 48.9 | Very low | 86 Ų | 86 | 95.4 Ų | 95.4 | 56% | 0.558 | 53% | 0.525 | S | S | * | . | trans | -72.5 | 67.8 | 156.8 | 32.7 | -33.3 | 0 | 0 | 0 | 106.7 | V41 | V41-P43 WeakPolarHBondContact O-CD 3.36Š| ||
| 44 | H | 35.4 | Very low | 51.9 | Low | 139 Ų | 139 | 90.6 Ų | 90.6 | 64% | 0.644 | 50% | 0.496 | S | S | * | . | trans | -89.9 | 105.9 | 170.3 | -85.5 | 48.8 | 0 | 0 | 0 | 107.1 | L42 V46 | L42-H44 HydrophobicContact CB-CB 4.35Å; L42-H44 PolarHBondContact O-N 3.02Å; H44-V46 PolarHBondContact O-N 3.45Å; H44-V46 VanDerWaalsContact O-N 3.16Å | ||
| 45 | G | 37.8 | Very low | 54.9 | Low | 76 Ų | 76 | 85.7 Ų | 85.7 | 78% | 0.784 | 47% | 0.47 | S | S | * | . | trans | -59.3 | 110 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 46 | V | 41.6 | Very low | 57.8 | Low | 116 Ų | 116 | 81.3 Ų | 81.3 | 70% | 0.703 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -117.9 | -16.1 | 157.2 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | H44 L50 | H44-V46 PolarHBondContact O-N 3.45Å; H44-V46 VanDerWaalsContact O-N 3.16Å; V46-L50 HydrophobicContact CB-CD2 4.05Å |
| 47 | N | 49.4 | Very low | 60.7 | Low | 66 Ų | 66 | 70.4 Ų | 70.4 | 35% | 0.353 | 40% | 0.397 | S | S | . | . | trans | -170.1 | 150.1 | 162 | -102.3 | -23.8 | 0 | 0 | 0 | 106.4 | E49 L50 | N47-E49 PolarHBondContact O-N 2.94Å; N47-L50 PolarHBondContact O-N 3.13Å; N47-L50 VanDerWaalsContact O-N 3.1Å | ||
| 48 | D | 59.6 | Low | 63.2 | Low | 100 Ų | 100 | 68.4 Ų | 68.4 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -9.2 | 177.9 | -74.1 | -3.9 | 0 | 0 | 0 | 113.8 | G26 S27 | G26-D48 VanDerWaalsContact C-OD2 3.29Å; G26-D48 WeakPolarHBondContact CA-OD2 3.3Å; S27-D48 PolarHBondContact N-OD2 2.86Å |
| 49 | E | 75.1 | Confident | 66.2 | Low | 117 Ų | 117 | 66.6 Ų | 66.6 | 55% | 0.547 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -8.7 | -178.4 | -61.1 | -176.2 | 178.9 | 0 | 0 | 114.2 | N47 V70 G71 | N47-E49 PolarHBondContact O-N 2.94Å; E49-V70 HydrophobicContact CB-CG1 3.9Å; E49-V70 VanDerWaalsContact O-CA 3.3Å; E49-V70 WeakPolarHBondContact O-CA 3.44Å; E49-G71 PolarHBondContact O-N 2.94Å |
| 50 | L | 84.5 | Confident | 68.9 | Low | 52 Ų | 52 | 65.8 Ų | 65.8 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 120.6 | -176.7 | 175.7 | 67.4 | 0 | 0 | 0 | 111.9 | V46 N47 I52 I68 K69 V70 | V46-L50 HydrophobicContact CB-CD2 4.05Å; N47-L50 PolarHBondContact O-N 3.13Å; N47-L50 VanDerWaalsContact O-N 3.1Å; L50-I52 HydrophobicContact CD1-CG1 4.25Å; L50-I52 HydrophobicContact CD2-CD1 4.47Å; L50-I52 HydrophobicContact CG-CG1 4.38Å; L50-I68 HydrophobicContact CD1-CG2 3.69Å; L50-K69 CarbonylContact C-O 3.51Å; L50-K69 WeakPolarHBondContact CA-O 3.41Å; L50-V70 HydrophobicContact CB-CG2 4.37Å; L50-V70 HydrophobicContact CD1-CG2 3.49Å; L50-V70 VanDerWaalsContact CD1-CG2 3.49Å |
| 51 | E | 86.9 | Confident | 71.7 | Confident | 86 Ų | 86 | 60 Ų | 60 | 40% | 0.402 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.1 | 172.4 | -176.6 | -175.4 | 174.8 | 0 | 0 | 110.3 | K69 | E51-K69 HydrophobicContact CB-CB 4.27Å; E51-K69 PolarHBondContact N-O 3.38Å; E51-K69 PolarHBondContact O-N 3.48Å |
| 52 | I | 90.8 | Very high | 74.2 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.1 | 176.1 | -57.4 | 175.5 | 0 | 0 | 0 | 109.1 | L50 F66 Q67 | L50-I52 HydrophobicContact CD1-CG1 4.25Å; L50-I52 HydrophobicContact CD2-CD1 4.47Å; L50-I52 HydrophobicContact CG-CG1 4.38Å; I52-F66 HydrophobicContact CG2-CD1 3.84Å; I52-Q67 WeakPolarHBondContact CA-O 3.47Å |
| 53 | K | 92.1 | Very high | 76.9 | Confident | 49 Ų | 49 | 55 Ų | 55 | 21% | 0.213 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.6 | 176.8 | -179 | 173.4 | 170.8 | -161.8 | 0 | 110.4 | Y55 F66 Q67 D95 | K53-Y55 HydrophobicContact CB-CE2 4.41Å; K53-Y55 HydrophobicContact CD-CE1 4.33Å; K53-Y55 HydrophobicContact CD-CE2 4.19Å; K53-Y55 VanDerWaalsContact CD-OH 3.22Å; K53-Y55 WeakPolarHBondContact CD-OH 3.35Å; K53-Y55 VanDerWaalsContact CE-CZ 3.45Å; K53-Y55 WeakPolarHBondContact CE-OH 3.28Å; K53-Y55 HydrophobicContact CG-CE2 3.98Å; K53-Y55 PolarHBondContact NZ-OH 3.47Å; K53-F66 WeakPolarHBondContact O-CA 3.42Å; K53-Q67 HydrophobicContact CB-CB 4.4Å; K53-Q67 PolarHBondContact N-O 3.23Å; K53-Q67 PolarHBondContact O-N 3.22Å; K53-D95 IonicContact NZ-OD2 3.87Å; K53-D95 PolarHBondContact NZ-OD2 3.23Å |
| 54 | A | 93.7 | Very high | 79.6 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F39 A64 M65 F66 | F39-A54 HydrophobicContact CB-CB 4.2Å; F39-A54 HydrophobicContact CD1-CB 3.69Å; F39-A54 HydrophobicContact CD2-CB 3.89Å; F39-A54 HydrophobicContact CE1-CB 3.87Å; F39-A54 HydrophobicContact CE2-CB 4.07Å; F39-A54 HydrophobicContact CG-CB 3.69Å; F39-A54 HydrophobicContact CZ-CB 4.05Å; A54-A64 HydrophobicContact CB-CB 4.45Å; A54-M65 CarbonylContact C-O 3.59Å; A54-M65 WeakPolarHBondContact CA-O 3.47Å; A54-F66 HydrophobicContact CB-CD1 3.98Å; A54-F66 HydrophobicContact CB-CE1 3.73Å; A54-F66 HydrophobicContact CB-CZ 4.44Å |
| 55 | Y | 94.2 | Very high | 82.5 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 149.8 | 176.9 | -65 | -86.8 | 0 | 0 | 0 | 110.2 | K53 A64 M65 Q67 W93 I94 D95 | K53-Y55 HydrophobicContact CB-CE2 4.41Å; K53-Y55 HydrophobicContact CD-CE1 4.33Å; K53-Y55 HydrophobicContact CD-CE2 4.19Å; K53-Y55 VanDerWaalsContact CD-OH 3.22Å; K53-Y55 WeakPolarHBondContact CD-OH 3.35Å; K53-Y55 VanDerWaalsContact CE-CZ 3.45Å; K53-Y55 WeakPolarHBondContact CE-OH 3.28Å; K53-Y55 HydrophobicContact CG-CE2 3.98Å; K53-Y55 PolarHBondContact NZ-OH 3.47Å; Y55-A64 CarbonylContact O-C 3.53Å; Y55-A64 WeakPolarHBondContact O-CA 3.39Å; Y55-A64 WeakPolarHBondContact O-CB 3.41Å; Y55-M65 PolarHBondContact N-O 2.87Å; Y55-M65 PolarHBondContact O-N 3.27Å; Y55-Q67 HydrophobicContact CD2-CB 4.48Å; Y55-Q67 HydrophobicContact CE2-CB 3.65Å; Y55-Q67 PolarHBondContact OH-OE1 3.23Å; Y55-W93 WeakPolarHBondContact CB-O 3.43Å; Y55-W93 AromaticContact CD1-CE3 3.95Å; Y55-W93 HydrophobicContact CD1-CE3 3.95Å; Y55-W93 AromaticContact CD1-CZ3 3.82Å; Y55-W93 HydrophobicContact CD1-CZ3 3.82Å; Y55-W93 AromaticContact CE1-CZ3 4Å; Y55-W93 HydrophobicContact CE1-CZ3 4Å; Y55-I94 HydrophobicContact CD1-CB 4.39Å; Y55-I94 HydrophobicContact CD1-CG1 4.06Å; Y55-I94 HydrophobicContact CD2-CG1 4.35Å; Y55-I94 HydrophobicContact CE1-CG1 4.05Å; Y55-I94 HydrophobicContact CE2-CG1 4.35Å; Y55-I94 HydrophobicContact CG-CG1 4.21Å; Y55-D95 WeakPolarHBondContact CE1-OD1 3.29Å; Y55-D95 PolarHBondContact OH-OD1 2.88Å; Y55-D95 PolarHBondContact OH-OD2 3.31Å |
| 56 | Y | 93.6 | Very high | 85.3 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.1 | 178.9 | -174.5 | -98.1 | 0 | 0 | 0 | 111.4 | G58 L89 G90 A91 A92 W93 W187 | Y56-G58 VanDerWaalsContact CE1-CA 3.47Å; Y56-L89 WeakPolarHBondContact OH-CD2 3.29Å; Y56-G90 PolarHBondContact OH-N 2.85Å; Y56-A91 WeakPolarHBondContact CD1-O 3.19Å; Y56-A92 CarbonylContact O-C 3.56Å; Y56-A92 VanDerWaalsContact O-CA 3.22Å; Y56-A92 WeakPolarHBondContact O-CA 3.44Å; Y56-W93 PolarHBondContact O-N 2.86Å; Y56-W187 WeakPolarHBondContact CE2-O 3.42Å; Y56-W187 PolarHBondContact OH-O 2.89Å; Y56-W187 VanDerWaalsContact OH-O 3.13Å |
| 57 | A | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -104.5 | -13.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | H59 A63 M65 Y81 N82 A92 | A57-H59 PolarHBondContact O-N 2.79Å; A57-A63 HydrophobicContact CB-CB 3.92Å; A57-A63 WeakPolarHBondContact CB-O 3.32Å; A57-A63 PolarHBondContact N-O 2.8Å; A57-A63 VanDerWaalsContact N-O 3.1Å; A57-M65 HydrophobicContact CB-CG 3.94Å; A57-Y81 CarbonylContact O-C 3.55Å; A57-Y81 WeakPolarHBondContact O-CA 3.27Å; A57-N82 PolarHBondContact O-N 2.88Å; A57-A92 WeakPolarHBondContact O-CB 3.26Å | ||
| 58 | G | 89.7 | Confident | 90 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | 69.2 | -27.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y56 V60 L89 G90 | Y56-G58 VanDerWaalsContact CE1-CA 3.47Å; G58-V60 PolarHBondContact O-N 2.76Å; G58-L89 VanDerWaalsContact O-CB 3.28Å; G58-L89 WeakPolarHBondContact O-CB 3.29Å; G58-L89 WeakPolarHBondContact O-CD1 3.25Å; G58-G90 WeakPolarHBondContact CA-O 3.35Å | ||
| 59 | H | 92.1 | Very high | 91.4 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 11% | 0.111 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -47.3 | -60.2 | -175.5 | 174.3 | 72.5 | 0 | 0 | 0 | 114.7 | A57 A63 D80 R146 A293 H294 | A57-H59 PolarHBondContact O-N 2.79Å; H59-A63 HydrophobicContact CB-CB 4.14Å; H59-D80 VanDerWaalsContact CB-O 3.28Å; H59-D80 WeakPolarHBondContact CB-O 3.49Å; H59-D80 IonicContact NE2-OD2 3.56Å; H59-R146 PolarHBondContact O-NH2 2.91Å; H59-A293 VanDerWaalsContact ND1-C 3.3Å; H59-A293 WeakPolarHBondContact ND1-CB 3.47Å; H59-A293 PolarHBondContact ND1-O 2.91Å; H59-A293 WeakPolarHBondContact O-CB 3.45Å; H59-H294 AromaticContact CE1-CD2 3.74Å; H59-H294 AromaticContact CE1-CE1 3.65Å; H59-H294 AromaticContact CE1-ND1 3.93Å; H59-H294 AromaticContact CE1-NE2 3.53Å |
| 60 | V | 91.8 | Very high | 91.9 | Very high | 34 Ų | 34 | 33.8 Ų | 33.8 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -132.2 | 167.2 | 171.2 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | G58 G62 A63 L89 L144 | G58-V60 PolarHBondContact O-N 2.76Å; V60-G62 PolarHBondContact O-N 2.84Å; V60-A63 HydrophobicContact CG2-CB 3.9Å; V60-A63 VanDerWaalsContact O-CB 3.27Å; V60-A63 WeakPolarHBondContact O-CB 3.4Å; V60-A63 PolarHBondContact O-N 2.83Å; V60-L89 VanDerWaalsContact C-CD1 3.46Å; V60-L144 HydrophobicContact CB-CD2 3.64Å; V60-L144 HydrophobicContact CG1-CD2 4.08Å; V60-L144 HydrophobicContact CG2-CD2 4.01Å |
| 61 | L | 90.6 | Very high | 91.7 | Very high | 23 Ų | 23 | 33 Ų | 33 | 12% | 0.12 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 124.2 | 176.9 | -168.8 | 71.4 | 0 | 0 | 0 | 110.4 | A63 L89 Y181 F184 W187 T188 | L61-A63 VanDerWaalsContact C-N 3.31Å; L61-L89 HydrophobicContact CB-CD2 4.49Å; L61-L89 HydrophobicContact CD1-CD2 3.9Å; L61-Y181 HydrophobicContact CB-CD1 4.31Å; L61-Y181 HydrophobicContact CB-CE1 3.61Å; L61-Y181 HydrophobicContact CB-CE2 4.34Å; L61-Y181 HydrophobicContact CD1-CD1 4.07Å; L61-Y181 HydrophobicContact CD1-CE1 3.91Å; L61-Y181 HydrophobicContact CD2-CD1 3.66Å; L61-Y181 HydrophobicContact CD2-CD2 4.22Å; L61-Y181 HydrophobicContact CD2-CE1 3.83Å; L61-Y181 HydrophobicContact CD2-CE2 4.39Å; L61-Y181 HydrophobicContact CD2-CG 3.87Å; L61-Y181 HydrophobicContact CG-CD1 4.25Å; L61-Y181 HydrophobicContact CG-CE1 4Å; L61-F184 HydrophobicContact CD2-CB 3.98Å; L61-W187 HydrophobicContact CD1-CB 3.71Å; L61-W187 HydrophobicContact CG-CB 4.47Å; L61-T188 HydrophobicContact CD1-CG2 4.03Å |
| 62 | G | 90.4 | Very high | 91.4 | Very high | 47 Ų | 47 | 31.5 Ų | 31.5 | 49% | 0.485 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 0.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V60 A64 | V60-G62 PolarHBondContact O-N 2.84Å; G62-A64 PolarHBondContact O-N 2.82Å |
| 63 | A | 92.4 | Very high | 91.3 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 13% | 0.132 | 17% | 0.172 | C | C | . | . | trans | -63.2 | 132.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A57 H59 V60 L61 | A57-A63 HydrophobicContact CB-CB 3.92Å; A57-A63 WeakPolarHBondContact CB-O 3.32Å; A57-A63 PolarHBondContact N-O 2.8Å; A57-A63 VanDerWaalsContact N-O 3.1Å; H59-A63 HydrophobicContact CB-CB 4.14Å; V60-A63 HydrophobicContact CG2-CB 3.9Å; V60-A63 VanDerWaalsContact O-CB 3.27Å; V60-A63 WeakPolarHBondContact O-CB 3.4Å; V60-A63 PolarHBondContact O-N 2.83Å; L61-A63 VanDerWaalsContact C-N 3.31Å | ||
| 64 | A | 95.1 | Very high | 91.2 | Very high | 19 Ų | 19 | 27.4 Ų | 27.4 | 16% | 0.157 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F39 A54 Y55 G62 F66 | F39-A64 HydrophobicContact CE1-CB 4.48Å; F39-A64 HydrophobicContact CZ-CB 3.92Å; A54-A64 HydrophobicContact CB-CB 4.45Å; Y55-A64 CarbonylContact O-C 3.53Å; Y55-A64 WeakPolarHBondContact O-CA 3.39Å; Y55-A64 WeakPolarHBondContact O-CB 3.41Å; G62-A64 PolarHBondContact O-N 2.82Å; A64-F66 HydrophobicContact CB-CE2 4.04Å; A64-F66 HydrophobicContact CB-CZ 4.14Å |
| 65 | M | 96.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 141.5 | 166.6 | -46.8 | 178.6 | -77.4 | 0 | 0 | 107.9 | A54 Y55 A57 Y77 T78 A92 W93 I94 L303 | A54-M65 CarbonylContact C-O 3.59Å; A54-M65 WeakPolarHBondContact CA-O 3.47Å; Y55-M65 PolarHBondContact N-O 2.87Å; Y55-M65 PolarHBondContact O-N 3.27Å; A57-M65 HydrophobicContact CB-CG 3.94Å; M65-Y77 CarbonylContact C-O 3.46Å; M65-Y77 WeakPolarHBondContact CA-O 3.32Å; M65-T78 HydrophobicContact CG-CG2 4.46Å; M65-T78 WeakPolarHBondContact CG-O 3.46Å; M65-T78 HydrophobicContact SD-CG2 4Å; M65-A92 HydrophobicContact CE-CB 4.35Å; M65-W93 WeakPolarHBondContact CE-O 3.3Å; M65-I94 HydrophobicContact CE-CB 4.02Å; M65-L303 HydrophobicContact CE-CD1 4.25Å; M65-L303 HydrophobicContact SD-CD1 4.13Å; M65-L303 HydrophobicContact SD-CD2 4.02Å |
| 66 | F | 96.5 | Very high | 91.5 | Very high | 86 Ų | 86 | 28 Ų | 28 | 38% | 0.377 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123.4 | -179.2 | -69.6 | -85.7 | 0 | 0 | 0 | 110.5 | I52 K53 A54 A64 V76 Y77 | I52-F66 HydrophobicContact CG2-CD1 3.84Å; K53-F66 WeakPolarHBondContact O-CA 3.42Å; A54-F66 HydrophobicContact CB-CD1 3.98Å; A54-F66 HydrophobicContact CB-CE1 3.73Å; A54-F66 HydrophobicContact CB-CZ 4.44Å; A64-F66 HydrophobicContact CB-CE2 4.04Å; A64-F66 HydrophobicContact CB-CZ 4.14Å; F66-V76 CarbonylContact O-C 3.54Å; F66-V76 WeakPolarHBondContact O-CA 3.39Å; F66-Y77 PolarHBondContact N-O 2.86Å; F66-Y77 PolarHBondContact O-N 3.09Å |
| 67 | Q | 95.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 11% | 0.112 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.6 | 161.2 | -179.1 | -179.4 | 17.5 | 0 | 0 | 108.3 | I52 K53 Y55 V75 V76 | I52-Q67 WeakPolarHBondContact CA-O 3.47Å; K53-Q67 HydrophobicContact CB-CB 4.4Å; K53-Q67 PolarHBondContact N-O 3.23Å; K53-Q67 PolarHBondContact O-N 3.22Å; Y55-Q67 HydrophobicContact CD2-CB 4.48Å; Y55-Q67 HydrophobicContact CE2-CB 3.65Å; Y55-Q67 PolarHBondContact OH-OE1 3.23Å; Q67-V75 CarbonylContact C-O 3.47Å; Q67-V75 WeakPolarHBondContact CA-O 3.24Å; Q67-V76 HydrophobicContact CB-CG2 3.91Å; Q67-V76 HydrophobicContact CG-CG2 4.01Å |
| 68 | I | 93.3 | Very high | 91.8 | Very high | 36 Ų | 36 | 27.8 Ų | 27.8 | 19% | 0.185 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.7 | 176.6 | -57.7 | 170.7 | 0 | 0 | 0 | 105.8 | W17 L50 S74 V75 | W17-I68 HydrophobicContact CZ2-CD1 3.88Å; L50-I68 HydrophobicContact CD1-CG2 3.69Å; I68-S74 CarbonylContact O-C 3.6Å; I68-S74 WeakPolarHBondContact O-CA 3.4Å; I68-V75 PolarHBondContact N-O 2.93Å; I68-V75 PolarHBondContact O-N 3.14Å |
| 69 | K | 89.1 | Confident | 92.1 | Very high | 81 Ų | 81 | 28.4 Ų | 28.4 | 35% | 0.352 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.3 | 178.8 | -179.6 | -179.2 | 179.6 | -174.6 | 0 | 109.1 | L50 E51 G71 E73 | L50-K69 CarbonylContact C-O 3.51Å; L50-K69 WeakPolarHBondContact CA-O 3.41Å; E51-K69 HydrophobicContact CB-CB 4.27Å; E51-K69 PolarHBondContact N-O 3.38Å; E51-K69 PolarHBondContact O-N 3.48Å; K69-G71 WeakPolarHBondContact CE-O 3.46Å; K69-E73 CarbonylContact C-O 3.57Å; K69-E73 VanDerWaalsContact CA-O 3.26Å; K69-E73 WeakPolarHBondContact CA-O 3.43Å; K69-E73 WeakPolarHBondContact CG-O 3.34Å |
| 70 | V | 85.4 | Confident | 92.2 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 119.3 | 168.7 | -163.4 | 0 | 0 | 0 | 0 | 111.3 | L19 L21 E49 L50 S72 E73 | L19-V70 HydrophobicContact CD2-CB 3.67Å; L19-V70 HydrophobicContact CD2-CG1 4.41Å; L19-V70 HydrophobicContact CD2-CG2 3.3Å; L21-V70 HydrophobicContact CD1-CB 3.87Å; L21-V70 HydrophobicContact CD1-CG1 3.13Å; L21-V70 HydrophobicContact CD1-CG2 4.31Å; L21-V70 HydrophobicContact CG-CG1 4.45Å; E49-V70 HydrophobicContact CB-CG1 3.9Å; E49-V70 VanDerWaalsContact O-CA 3.3Å; E49-V70 WeakPolarHBondContact O-CA 3.44Å; L50-V70 HydrophobicContact CB-CG2 4.37Å; L50-V70 HydrophobicContact CD1-CG2 3.49Å; L50-V70 VanDerWaalsContact CD1-CG2 3.49Å; V70-S72 PolarHBondContact O-N 2.84Å; V70-E73 PolarHBondContact N-O 2.88Å; V70-E73 PolarHBondContact O-N 3.05Å |
| 71 | G | 81.4 | Confident | 92.3 | Very high | 35 Ų | 35 | 27.1 Ų | 27.1 | 36% | 0.361 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -123.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111 | E49 K69 | E49-G71 PolarHBondContact O-N 2.94Å; K69-G71 WeakPolarHBondContact CE-O 3.46Å |
| 72 | S | 80.5 | Confident | 92.4 | Very high | 55 Ų | 55 | 26.2 Ų | 26.2 | 39% | 0.385 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -12.8 | 173.9 | 55.2 | 0 | 0 | 0 | 0 | 114 | V70 | V70-S72 PolarHBondContact O-N 2.84Š|
| 73 | E | 86.9 | Confident | 92.5 | Very high | 24 Ų | 24 | 24.7 Ų | 24.7 | 11% | 0.112 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 144.4 | -171.3 | -52.1 | -56.3 | 160.4 | 0 | 0 | 111.3 | K69 V70 N100 T350 | K69-E73 CarbonylContact C-O 3.57Å; K69-E73 VanDerWaalsContact CA-O 3.26Å; K69-E73 WeakPolarHBondContact CA-O 3.43Å; K69-E73 WeakPolarHBondContact CG-O 3.34Å; V70-E73 PolarHBondContact N-O 2.88Å; V70-E73 PolarHBondContact O-N 3.05Å; E73-N100 WeakPolarHBondContact CA-OD1 3.49Å; E73-N100 PolarHBondContact OE2-ND2 2.78Å; E73-N100 VanDerWaalsContact OE2-ND2 3.11Å; E73-N100 PolarHBondContact OE2-OD1 3.15Å; E73-T350 VanDerWaalsContact OE1-CB 3.29Å; E73-T350 WeakPolarHBondContact OE1-CB 3.29Å; E73-T350 PolarHBondContact OE1-OG1 2.91Å; E73-T350 WeakPolarHBondContact OE2-CB 3.38Å; E73-T350 VanDerWaalsContact OE2-CG2 3.3Å; E73-T350 WeakPolarHBondContact OE2-CG2 3.29Å; E73-T350 PolarHBondContact OE2-OG1 3.49Å |
| 74 | S | 91.5 | Very high | 92.4 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.063 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 143.1 | 174.2 | 65.4 | 0 | 0 | 0 | 0 | 114 | I68 P99 N100 L101 | I68-S74 CarbonylContact O-C 3.6Å; I68-S74 WeakPolarHBondContact O-CA 3.4Å; S74-P99 WeakPolarHBondContact OG-CA 3.27Å; S74-N100 PolarHBondContact N-OD1 3.29Å; S74-N100 PolarHBondContact O-N 3.28Å; S74-N100 PolarHBondContact O-OD1 3.02Å; S74-L101 PolarHBondContact O-N 3.3Å |
| 75 | V | 95.9 | Very high | 92.2 | Very high | 25 Ų | 25 | 29.1 Ų | 29.1 | 15% | 0.152 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.7 | 176.5 | -178 | 0 | 0 | 0 | 0 | 108.7 | I4 Q67 I68 L101 I103 | I4-V75 HydrophobicContact CD1-CG2 3.9Å; I4-V75 HydrophobicContact CG2-CG2 4.09Å; Q67-V75 CarbonylContact C-O 3.47Å; Q67-V75 WeakPolarHBondContact CA-O 3.24Å; I68-V75 PolarHBondContact N-O 2.93Å; I68-V75 PolarHBondContact O-N 3.14Å; V75-L101 CarbonylContact C-O 3.3Å; V75-L101 VanDerWaalsContact CA-O 3.29Å; V75-L101 WeakPolarHBondContact CA-O 3.41Å; V75-L101 HydrophobicContact CG1-CB 4.23Å; V75-L101 HydrophobicContact CG1-CD2 4.16Å; V75-L101 HydrophobicContact CG1-CG 4.29Å; V75-L101 HydrophobicContact CG2-CB 4.18Å; V75-I103 HydrophobicContact CG1-CD1 3.87Å; V75-I103 HydrophobicContact CG1-CG1 4.2Å |
| 76 | V | 97.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.1 | 169.1 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | F66 Q67 T78 I94 P99 L101 L102 I103 | F66-V76 CarbonylContact O-C 3.54Å; F66-V76 WeakPolarHBondContact O-CA 3.39Å; Q67-V76 HydrophobicContact CB-CG2 3.91Å; Q67-V76 HydrophobicContact CG-CG2 4.01Å; V76-T78 HydrophobicContact CG1-CG2 4.37Å; V76-I94 HydrophobicContact CG1-CD1 3.91Å; V76-I94 HydrophobicContact CG2-CD1 4.31Å; V76-P99 HydrophobicContact CB-CG 4.3Å; V76-P99 HydrophobicContact CG2-CB 3.83Å; V76-P99 HydrophobicContact CG2-CG 3.76Å; V76-L101 PolarHBondContact N-O 3.03Å; V76-L102 HydrophobicContact CB-CD1 3.64Å; V76-L102 HydrophobicContact CG1-CD1 3.53Å; V76-I103 PolarHBondContact O-N 3.12Å |
| 77 | Y | 97.6 | Very high | 91.6 | Very high | 34 Ų | 34 | 29.4 Ų | 29.4 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.7 | 168.5 | 179.8 | -114.3 | 0 | 0 | 0 | 109.9 | P13 L15 W17 M65 F66 I103 | P13-Y77 PolarHBondContact O-OH 3.44Å; P13-Y77 VanDerWaalsContact O-OH 3.1Å; L15-Y77 HydrophobicContact CD1-CD2 4.07Å; L15-Y77 HydrophobicContact CD1-CE2 3.47Å; L15-Y77 VanDerWaalsContact CD1-CE2 3.47Å; W17-Y77 AromaticContact CH2-CD1 3.71Å; W17-Y77 HydrophobicContact CH2-CD1 3.71Å; W17-Y77 HydrophobicContact CH2-CD2 4.14Å; W17-Y77 HydrophobicContact CH2-CE1 4.3Å; W17-Y77 AromaticContact CH2-CG 3.6Å; W17-Y77 HydrophobicContact CH2-CG 3.6Å; W17-Y77 HydrophobicContact CZ3-CD1 4.24Å; W17-Y77 AromaticContact CZ3-CD2 3.94Å; W17-Y77 HydrophobicContact CZ3-CD2 3.94Å; W17-Y77 HydrophobicContact CZ3-CE2 4.34Å; W17-Y77 AromaticContact CZ3-CG 3.9Å; W17-Y77 HydrophobicContact CZ3-CG 3.9Å; M65-Y77 CarbonylContact C-O 3.46Å; M65-Y77 WeakPolarHBondContact CA-O 3.32Å; F66-Y77 PolarHBondContact N-O 2.86Å; F66-Y77 PolarHBondContact O-N 3.09Å; Y77-I103 HydrophobicContact CD2-CB 3.88Å; Y77-I103 HydrophobicContact CD2-CG2 3.61Å; Y77-I103 HydrophobicContact CE2-CG2 3.92Å |
| 78 | T | 97.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | trans | -82.9 | -26.9 | -173.5 | 67.6 | 0 | 0 | 0 | 0 | 114 | M65 V76 Y81 L102 I103 T104 L303 | M65-T78 HydrophobicContact CG-CG2 4.46Å; M65-T78 WeakPolarHBondContact CG-O 3.46Å; M65-T78 HydrophobicContact SD-CG2 4Å; V76-T78 HydrophobicContact CG1-CG2 4.37Å; T78-Y81 HydrophobicContact CG2-CD1 4.4Å; T78-Y81 HydrophobicContact CG2-CE1 4.3Å; T78-L102 HydrophobicContact CG2-CD1 3.75Å; T78-I103 PolarHBondContact N-O 2.89Å; T78-I103 PolarHBondContact OG1-O 3.31Å; T78-T104 WeakPolarHBondContact OG1-CA 3.48Å; T78-T104 PolarHBondContact OG1-OG1 2.93Å; T78-L303 HydrophobicContact CG2-CD2 3.64Å | ||
| 79 | G | 95.5 | Very high | 91.3 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 13% | 0.134 | 15% | 0.153 | C | C | . | . | trans | 53 | -149.1 | -156.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 80 | D | 94.1 | Very high | 91.5 | Very high | 31 Ų | 31 | 23.4 Ų | 23.4 | 17% | 0.166 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -85.7 | 134.6 | 170.6 | -62 | -31.2 | 0 | 0 | 0 | 110.8 | H59 E105 H294 H316 | H59-D80 VanDerWaalsContact CB-O 3.28Å; H59-D80 WeakPolarHBondContact CB-O 3.49Å; H59-D80 IonicContact NE2-OD2 3.56Å; D80-E105 WeakPolarHBondContact CA-OE1 3.49Å; D80-H294 IonicContact OD1-CE1 3.11Å; D80-H294 IonicContact OD1-ND1 3.86Å; D80-H294 IonicContact OD2-CE1 3.83Å; D80-H294 PolarHBondContact OD2-CE1 2.93Å; D80-H294 IonicContact OD2-ND1 3.23Å; D80-H316 IonicContact OD1-ND1 3.87Å |
| 81 | Y | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -140.6 | 165.6 | -176 | 66.2 | -79.4 | 0 | 0 | 0 | 111.5 | A57 T78 M83 A92 T104 E105 H294 A295 I300 L303 | A57-Y81 CarbonylContact O-C 3.55Å; A57-Y81 WeakPolarHBondContact O-CA 3.27Å; T78-Y81 HydrophobicContact CG2-CD1 4.4Å; T78-Y81 HydrophobicContact CG2-CE1 4.3Å; Y81-M83 HydrophobicContact CD2-CG 4.13Å; Y81-M83 HydrophobicContact CD2-SD 4.27Å; Y81-M83 HydrophobicContact CE2-CG 3.98Å; Y81-M83 HydrophobicContact CE2-SD 4.36Å; Y81-A92 HydrophobicContact CD2-CB 4.15Å; Y81-T104 WeakPolarHBondContact CE1-OG1 3.3Å; Y81-T104 PolarHBondContact OH-OG1 3.09Å; Y81-E105 HydrophobicContact CD1-CG 3.83Å; Y81-E105 HydrophobicContact CE1-CG 3.62Å; Y81-E105 PolarHBondContact N-OE1 3.43Å; Y81-H294 CarbonylContact O-C 3.24Å; Y81-H294 VanDerWaalsContact O-C 3.3Å; Y81-A295 HydrophobicContact CD2-CB 3.86Å; Y81-A295 HydrophobicContact CE1-CB 4.2Å; Y81-A295 HydrophobicContact CE2-CB 3.48Å; Y81-A295 VanDerWaalsContact CE2-CB 3.48Å; Y81-A295 HydrophobicContact CG-CB 4.38Å; Y81-A295 PolarHBondContact O-N 3.08Å; Y81-I300 VanDerWaalsContact OH-CA 3.3Å; Y81-I300 WeakPolarHBondContact OH-CA 3.27Å; Y81-I300 WeakPolarHBondContact OH-CG1 3.44Å; Y81-L303 HydrophobicContact CD1-CD2 4.44Å; Y81-L303 HydrophobicContact CD2-CD2 4Å; Y81-L303 HydrophobicContact CE1-CD2 4Å; Y81-L303 HydrophobicContact CE2-CB 3.79Å; Y81-L303 HydrophobicContact CE2-CD1 4.42Å; Y81-L303 HydrophobicContact CE2-CD2 3.5Å; Y81-L303 HydrophobicContact CE2-CG 4.08Å; Y81-L303 HydrophobicContact CG-CD2 4.43Å; Y81-L303 VanDerWaalsContact CZ-CD2 3.47Å | ||
| 82 | N | 92.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | trans | -138 | 115.7 | 176.2 | -165.7 | -1 | 0 | 0 | 0 | 111.3 | A57 T84 D86 A91 A92 A293 | A57-N82 PolarHBondContact O-N 2.88Å; N82-T84 VanDerWaalsContact C-N 3.26Å; N82-T84 VanDerWaalsContact CG-O 3.27Å; N82-T84 PolarHBondContact ND2-O 3.47Å; N82-T84 VanDerWaalsContact ND2-O 3.08Å; N82-T84 PolarHBondContact O-N 3.24Å; N82-T84 PolarHBondContact OD1-N 3.01Å; N82-T84 PolarHBondContact OD1-O 3.23Å; N82-D86 PolarHBondContact ND2-OD2 2.92Å; N82-A91 CarbonylContact O-C 3.6Å; N82-A92 WeakPolarHBondContact O-CB 3.43Å; N82-A92 PolarHBondContact O-N 3.31Å; N82-A293 VanDerWaalsContact CB-O 3.3Å; N82-A293 WeakPolarHBondContact CB-O 3.41Å | ||
| 83 | M | 92.8 | Very high | 93.1 | Very high | 16 Ų | 16 | 26.9 Ų | 26.9 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -76.5 | -12.2 | 175.7 | -64.6 | -61.7 | -77.8 | 0 | 0 | 113.3 | Y81 A91 A92 G299 Q302 L303 | Y81-M83 HydrophobicContact CD2-CG 4.13Å; Y81-M83 HydrophobicContact CD2-SD 4.27Å; Y81-M83 HydrophobicContact CE2-CG 3.98Å; Y81-M83 HydrophobicContact CE2-SD 4.36Å; M83-A91 VanDerWaalsContact O-CB 3.26Å; M83-A91 WeakPolarHBondContact O-CB 3.44Å; M83-A92 HydrophobicContact SD-CB 3.75Å; M83-G299 VanDerWaalsContact CG-O 3.31Å; M83-G299 WeakPolarHBondContact CG-O 3.36Å; M83-Q302 HydrophobicContact CE-CB 4.24Å; M83-Q302 HydrophobicContact CE-CG 3.77Å; M83-L303 HydrophobicContact CE-CB 4.37Å; M83-L303 HydrophobicContact CE-CD1 4.22Å; M83-L303 HydrophobicContact SD-CB 4.11Å; M83-L303 HydrophobicContact SD-CD1 3.67Å; M83-L303 HydrophobicContact SD-CG 4.49Å |
| 84 | T | 90.6 | Very high | 93.5 | Very high | 55 Ų | 55 | 25.8 Ų | 25.8 | 34% | 0.337 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -99 | 124.7 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | N82 | N82-T84 VanDerWaalsContact C-N 3.26Å; N82-T84 VanDerWaalsContact CG-O 3.27Å; N82-T84 PolarHBondContact ND2-O 3.47Å; N82-T84 VanDerWaalsContact ND2-O 3.08Å; N82-T84 PolarHBondContact O-N 3.24Å; N82-T84 PolarHBondContact OD1-N 3.01Å; N82-T84 PolarHBondContact OD1-O 3.23Å |
| 85 | P | 90.6 | Very high | 93.5 | Very high | 73 Ų | 73 | 27.6 Ų | 27.6 | 47% | 0.474 | 15% | 0.149 | S | C | . | . | P | Polyproline II helix | trans | -69.3 | 143.1 | -178.7 | 28.5 | -33.5 | 0 | 0 | 0 | 112.3 | A91 K116 | P85-A91 HydrophobicContact CB-CB 4.34Å; P85-K116 PolarHBondContact O-NZ 3.13Å |
| 86 | D | 89.8 | Confident | 93.4 | Very high | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.102 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -95 | 172.2 | 176.5 | -75.3 | -49.2 | 0 | 0 | 0 | 112.4 | N82 H88 L89 K116 R146 E149 N189 | N82-D86 PolarHBondContact ND2-OD2 2.92Å; D86-H88 PolarHBondContact O-N 2.89Å; D86-L89 CarbonylContact C-O 3.59Å; D86-L89 HydrophobicContact CB-CB 4.28Å; D86-L89 PolarHBondContact N-O 3.48Å; D86-K116 VanDerWaalsContact CA-NZ 3.32Å; D86-K116 IonicContact OD1-NZ 2.88Å; D86-R146 IonicContact OD1-CZ 3.99Å; D86-R146 IonicContact OD1-NH1 2.8Å; D86-R146 PolarHBondContact OD1-NH1 3.49Å; D86-R146 IonicContact OD2-CZ 3.53Å; D86-R146 IonicContact OD2-NH1 2.84Å; D86-R146 PolarHBondContact OD2-NH1 3.4Å; D86-R146 IonicContact OD2-NH2 3.38Å; D86-R146 PolarHBondContact OD2-NH2 3.42Å; D86-E149 WeakPolarHBondContact CB-OE2 3.4Å; D86-N189 PolarHBondContact O-ND2 2.9Å |
| 87 | R | 90.7 | Very high | 93.1 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 27% | 0.272 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -65.6 | -31.2 | 173.9 | -70 | 171.5 | 172.4 | -88.6 | -5.2 | 110.9 | E120 E149 I152 N189 I192 | R87-E120 IonicContact CZ-OE1 3.03Å; R87-E120 IonicContact CZ-OE2 2.83Å; R87-E120 IonicContact NE-OE1 2.73Å; R87-E120 PolarHBondContact NE-OE1 3.37Å; R87-E120 IonicContact NE-OE2 2.87Å; R87-E120 IonicContact NH2-OE1 3.38Å; R87-E120 PolarHBondContact NH2-OE1 2.94Å; R87-E120 IonicContact NH2-OE2 2.81Å; R87-E120 PolarHBondContact NH2-OE2 3.34Å; R87-E149 WeakPolarHBondContact CA-OE2 3.33Å; R87-E149 VanDerWaalsContact CB-OE2 3.3Å; R87-E149 WeakPolarHBondContact CB-OE2 3.35Å; R87-E149 WeakPolarHBondContact CG-OE1 3.3Å; R87-E149 VanDerWaalsContact N-CD 3.3Å; R87-E149 PolarHBondContact N-OE1 2.82Å; R87-E149 PolarHBondContact N-OE2 3.48Å; R87-I152 HydrophobicContact CB-CG2 4.24Å; R87-N189 PolarHBondContact O-ND2 3.33Å; R87-I192 WeakPolarHBondContact O-CG1 3.43Å |
| 88 | H | 90.2 | Very high | 93 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -105.6 | -28.2 | -177.9 | 69.8 | -63.8 | 0 | 0 | 0 | 114.4 | D86 G145 R146 E149 I152 Y181 T188 N189 F202 | D86-H88 PolarHBondContact O-N 2.89Å; H88-G145 PolarHBondContact NE2-O 2.88Å; H88-R146 PolarHBondContact CE1-NH2 3.04Å; H88-E149 IonicContact CE1-OE2 3.38Å; H88-E149 IonicContact CG-OE2 3.33Å; H88-E149 PolarHBondContact N-OE2 3.41Å; H88-E149 IonicContact ND1-OE2 2.64Å; H88-E149 PolarHBondContact ND1-OE2 3.17Å; H88-I152 HydrophobicContact CB-CD1 3.84Å; H88-Y181 AromaticContact CD2-CE1 3.47Å; H88-Y181 VanDerWaalsContact CD2-CE1 3.47Å; H88-Y181 WeakPolarHBondContact CD2-CE1 3.36Å; H88-Y181 AromaticContact CD2-CZ 3.88Å; H88-Y181 PolarHBondContact NE2-OH 2.81Å; H88-T188 WeakPolarHBondContact O-CA 3.34Å; H88-T188 WeakPolarHBondContact O-CB 3.39Å; H88-N189 PolarHBondContact O-N 3.38Å; H88-N189 VanDerWaalsContact O-N 3.07Å; H88-F202 HydrophobicContact CB-CE1 4.14Å; H88-F202 HydrophobicContact CB-CZ 3.97Å |
| 89 | L | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -117.4 | 155.7 | -178.3 | -63.2 | 169.3 | 0 | 0 | 0 | 111.9 | Y56 G58 V60 L61 D86 N189 | Y56-L89 WeakPolarHBondContact OH-CD2 3.29Å; G58-L89 VanDerWaalsContact O-CB 3.28Å; G58-L89 WeakPolarHBondContact O-CB 3.29Å; G58-L89 WeakPolarHBondContact O-CD1 3.25Å; V60-L89 VanDerWaalsContact C-CD1 3.46Å; L61-L89 HydrophobicContact CB-CD2 4.49Å; L61-L89 HydrophobicContact CD1-CD2 3.9Å; D86-L89 CarbonylContact C-O 3.59Å; D86-L89 HydrophobicContact CB-CB 4.28Å; D86-L89 PolarHBondContact N-O 3.48Å; L89-N189 PolarHBondContact O-ND2 3.1Å |
| 90 | G | 92.2 | Very high | 92.9 | Very high | 15 Ų | 15 | 38.8 Ų | 38.8 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | trans | -78.4 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y56 G58 | Y56-G90 PolarHBondContact OH-N 2.85Å; G58-G90 WeakPolarHBondContact CA-O 3.35Å | ||
| 91 | A | 93.5 | Very high | 93 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 30% | 0.298 | 19% | 0.185 | S | C | . | . | trans | -76.4 | 152.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y56 N82 M83 P85 | Y56-A91 WeakPolarHBondContact CD1-O 3.19Å; N82-A91 CarbonylContact O-C 3.6Å; M83-A91 VanDerWaalsContact O-CB 3.26Å; M83-A91 WeakPolarHBondContact O-CB 3.44Å; P85-A91 HydrophobicContact CB-CB 4.34Å | ||
| 92 | A | 95.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | trans | -55.8 | 143.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y56 A57 M65 Y81 N82 M83 | Y56-A92 CarbonylContact O-C 3.56Å; Y56-A92 VanDerWaalsContact O-CA 3.22Å; Y56-A92 WeakPolarHBondContact O-CA 3.44Å; A57-A92 WeakPolarHBondContact O-CB 3.26Å; M65-A92 HydrophobicContact CE-CB 4.35Å; Y81-A92 HydrophobicContact CD2-CB 4.15Å; N82-A92 WeakPolarHBondContact O-CB 3.43Å; N82-A92 PolarHBondContact O-N 3.31Å; M83-A92 HydrophobicContact SD-CB 3.75Å | ||
| 93 | W | 92.5 | Very high | 93.3 | Very high | 131 Ų | 131 | 37.1 Ų | 37.1 | 50% | 0.496 | 18% | 0.184 | S | C | . | . | trans | -140.8 | 130.9 | -178.2 | 180 | 86 | 0 | 0 | 0 | 110.1 | Y55 Y56 M65 D95 | Y55-W93 WeakPolarHBondContact CB-O 3.43Å; Y55-W93 AromaticContact CD1-CE3 3.95Å; Y55-W93 HydrophobicContact CD1-CE3 3.95Å; Y55-W93 AromaticContact CD1-CZ3 3.82Å; Y55-W93 HydrophobicContact CD1-CZ3 3.82Å; Y55-W93 AromaticContact CE1-CZ3 4Å; Y55-W93 HydrophobicContact CE1-CZ3 4Å; Y56-W93 PolarHBondContact O-N 2.86Å; M65-W93 WeakPolarHBondContact CE-O 3.3Å; W93-D95 HydrophobicContact CH2-CB 4.1Å; W93-D95 HydrophobicContact CZ2-CB 4.4Å | ||
| 94 | I | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -135.3 | 147.8 | 173.9 | -164.1 | 169.5 | 0 | 0 | 0 | 108.6 | Y55 M65 V76 L303 Q306 A307 | Y55-I94 HydrophobicContact CD1-CB 4.39Å; Y55-I94 HydrophobicContact CD1-CG1 4.06Å; Y55-I94 HydrophobicContact CD2-CG1 4.35Å; Y55-I94 HydrophobicContact CE1-CG1 4.05Å; Y55-I94 HydrophobicContact CE2-CG1 4.35Å; Y55-I94 HydrophobicContact CG-CG1 4.21Å; M65-I94 HydrophobicContact CE-CB 4.02Å; V76-I94 HydrophobicContact CG1-CD1 3.91Å; V76-I94 HydrophobicContact CG2-CD1 4.31Å; I94-L303 HydrophobicContact CB-CD1 4.29Å; I94-L303 HydrophobicContact CG2-CD1 3.63Å; I94-L303 HydrophobicContact CG2-CG 4.39Å; I94-Q306 HydrophobicContact CG2-CB 4.41Å; I94-Q306 HydrophobicContact CG2-CG 3.98Å; I94-Q306 PolarHBondContact O-NE2 3.43Å; I94-A307 HydrophobicContact CD1-CB 4.19Å; I94-A307 HydrophobicContact CG2-CB 4.41Å | ||
| 95 | D | 92.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 33.9 Ų | 33.9 | 25% | 0.251 | 17% | 0.165 | S | C | . | . | trans | -81.2 | 174.9 | 169.1 | 59.3 | 2.3 | 0 | 0 | 0 | 110.8 | K53 Y55 W93 C97 | K53-D95 IonicContact NZ-OD2 3.87Å; K53-D95 PolarHBondContact NZ-OD2 3.23Å; Y55-D95 WeakPolarHBondContact CE1-OD1 3.29Å; Y55-D95 PolarHBondContact OH-OD1 2.88Å; Y55-D95 PolarHBondContact OH-OD2 3.31Å; W93-D95 HydrophobicContact CH2-CB 4.1Å; W93-D95 HydrophobicContact CZ2-CB 4.4Å; D95-C97 PolarHBondContact O-N 2.82Å; D95-C97 VanDerWaalsContact OD1-CB 3.29Å; D95-C97 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 96 | K | 94.1 | Very high | 94 | Very high | 118 Ų | 118 | 30.4 Ų | 30.4 | 51% | 0.513 | 14% | 0.142 | S | C | . | . | trans | -78.9 | 64.8 | 176.6 | -168.9 | 173.1 | 178.9 | 155.5 | 0 | 110.1 | E308 | K96-E308 WeakPolarHBondContact CE-OE1 3.5Å; K96-E308 WeakPolarHBondContact CE-OE2 3.46Å; K96-E308 IonicContact NZ-OE1 3.72Å; K96-E308 PolarHBondContact NZ-OE1 3.36Å; K96-E308 IonicContact NZ-OE2 2.74Å; K96-E308 PolarHBondContact NZ-OE2 3.07Å | ||
| 97 | C | 92 | Very high | 94 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | trans | -79.2 | -13.6 | -171.5 | 48.8 | 0 | 0 | 0 | 0 | 114.9 | D95 | D95-C97 PolarHBondContact O-N 2.82Å; D95-C97 VanDerWaalsContact OD1-CB 3.29Å; D95-C97 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 98 | R | 95.1 | Very high | 94 | Very high | 145 Ų | 145 | 27 Ų | 27 | 55% | 0.547 | 13% | 0.129 | S | C | . | . | trans | 47.2 | 57.1 | 177.9 | -65.3 | 179 | 168.7 | -179.3 | -4.7 | 113.6 | A307 E308 | R98-A307 VanDerWaalsContact CA-O 3.23Å; R98-A307 WeakPolarHBondContact CA-O 3.36Å; R98-A307 PolarHBondContact N-O 2.93Å; R98-E308 WeakPolarHBondContact CA-O 3.41Å; R98-E308 HydrophobicContact CG-CB 3.96Å; R98-E308 IonicContact CZ-OE2 3.69Å; R98-E308 IonicContact NE-OE2 3.17Å; R98-E308 PolarHBondContact NE-OE2 3.39Å; R98-E308 IonicContact NH2-OE2 3.62Å; R98-E308 PolarHBondContact NH2-OE2 3.14Å | ||
| 99 | P | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -71.6 | 152.2 | -177.3 | 32.9 | -35.1 | 0 | 0 | 0 | 111.1 | S74 V76 L101 L102 P309 E310 | S74-P99 WeakPolarHBondContact OG-CA 3.27Å; V76-P99 HydrophobicContact CB-CG 4.3Å; V76-P99 HydrophobicContact CG2-CB 3.83Å; V76-P99 HydrophobicContact CG2-CG 3.76Å; P99-L101 PolarHBondContact O-N 3.49Å; P99-L102 HydrophobicContact CG-CB 4.47Å; P99-P309 HydrophobicContact CG-CB 3.96Å; P99-P309 CarbonylContact O-C 3.59Å; P99-P309 WeakPolarHBondContact O-CA 3.44Å; P99-E310 PolarHBondContact O-N 2.85Å | ||
| 100 | N | 94.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 10% | 0.096 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -63 | -36.4 | 173.6 | -54.7 | 90.1 | 0 | 0 | 0 | 110.6 | I4 E73 S74 E310 S311 T350 | I4-N100 HydrophobicContact CD1-CB 4.04Å; E73-N100 WeakPolarHBondContact CA-OD1 3.49Å; E73-N100 PolarHBondContact OE2-ND2 2.78Å; E73-N100 VanDerWaalsContact OE2-ND2 3.11Å; E73-N100 PolarHBondContact OE2-OD1 3.15Å; S74-N100 PolarHBondContact N-OD1 3.29Å; S74-N100 PolarHBondContact O-N 3.28Å; S74-N100 PolarHBondContact O-OD1 3.02Å; N100-E310 PolarHBondContact ND2-OE2 3.14Å; N100-S311 PolarHBondContact O-N 3.14Å; N100-T350 HydrophobicContact CB-CG2 4.48Å |
| 101 | L | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 127.5 | 177.5 | -178.5 | 61.1 | 0 | 0 | 0 | 112 | I4 V6 S74 V75 V76 P99 I103 S311 L313 L348 | I4-L101 HydrophobicContact CD1-CB 4.39Å; I4-L101 HydrophobicContact CG2-CD2 4.05Å; V6-L101 HydrophobicContact CG2-CD2 3.73Å; S74-L101 PolarHBondContact O-N 3.3Å; V75-L101 CarbonylContact C-O 3.3Å; V75-L101 VanDerWaalsContact CA-O 3.29Å; V75-L101 WeakPolarHBondContact CA-O 3.41Å; V75-L101 HydrophobicContact CG1-CB 4.23Å; V75-L101 HydrophobicContact CG1-CD2 4.16Å; V75-L101 HydrophobicContact CG1-CG 4.29Å; V75-L101 HydrophobicContact CG2-CB 4.18Å; V76-L101 PolarHBondContact N-O 3.03Å; P99-L101 PolarHBondContact O-N 3.49Å; L101-I103 HydrophobicContact CD2-CD1 4.01Å; L101-I103 HydrophobicContact CD2-CG1 3.78Å; L101-I103 HydrophobicContact CG-CG1 3.91Å; L101-S311 WeakPolarHBondContact CA-O 3.36Å; L101-L313 HydrophobicContact CD1-CB 3.87Å; L101-L348 HydrophobicContact CB-CD1 4.06Å; L101-L348 HydrophobicContact CD1-CD1 3.49Å; L101-L348 VanDerWaalsContact CD1-CD1 3.49Å; L101-L348 HydrophobicContact CD2-CD1 3.78Å; L101-L348 HydrophobicContact CG-CD1 3.96Å |
| 102 | L | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 112.8 | 165.7 | 177.3 | 64.9 | 0 | 0 | 0 | 109.8 | V76 T78 P99 V304 A307 P309 S311 V312 L313 | V76-L102 HydrophobicContact CB-CD1 3.64Å; V76-L102 HydrophobicContact CG1-CD1 3.53Å; T78-L102 HydrophobicContact CG2-CD1 3.75Å; P99-L102 HydrophobicContact CG-CB 4.47Å; L102-V304 HydrophobicContact CD2-CB 4.32Å; L102-V304 HydrophobicContact CD2-CG1 4.49Å; L102-V304 HydrophobicContact CD2-CG2 3.89Å; L102-A307 HydrophobicContact CD2-CB 4.31Å; L102-P309 HydrophobicContact CB-CB 3.66Å; L102-P309 HydrophobicContact CB-CG 3.83Å; L102-P309 HydrophobicContact CD2-CG 4Å; L102-S311 PolarHBondContact N-O 3.47Å; L102-V312 CarbonylContact O-C 3.51Å; L102-V312 WeakPolarHBondContact O-CA 3.28Å; L102-L313 PolarHBondContact O-N 3Å |
| 103 | I | 97.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 113 | 173.1 | -54.6 | 172.4 | 0 | 0 | 0 | 108 | V6 L15 V75 V76 Y77 T78 L101 L313 V315 | V6-I103 HydrophobicContact CG1-CD1 4.16Å; V6-I103 HydrophobicContact CG2-CD1 4.25Å; L15-I103 HydrophobicContact CD1-CG2 4.19Å; V75-I103 HydrophobicContact CG1-CD1 3.87Å; V75-I103 HydrophobicContact CG1-CG1 4.2Å; V76-I103 PolarHBondContact O-N 3.12Å; Y77-I103 HydrophobicContact CD2-CB 3.88Å; Y77-I103 HydrophobicContact CD2-CG2 3.61Å; Y77-I103 HydrophobicContact CE2-CG2 3.92Å; T78-I103 PolarHBondContact N-O 2.89Å; T78-I103 PolarHBondContact OG1-O 3.31Å; L101-I103 HydrophobicContact CD2-CD1 4.01Å; L101-I103 HydrophobicContact CD2-CG1 3.78Å; L101-I103 HydrophobicContact CG-CG1 3.91Å; I103-L313 WeakPolarHBondContact CA-O 3.42Å; I103-L313 HydrophobicContact CG1-CB 4.33Å; I103-L313 HydrophobicContact CG2-CD2 4.23Å; I103-V315 HydrophobicContact CG2-CG1 3.88Å; I103-V315 HydrophobicContact CG2-CG2 3.88Å |
| 104 | T | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 145 | -171.8 | -162 | 0 | 0 | 0 | 0 | 113.6 | T78 Y81 I300 V312 L313 L314 V315 | T78-T104 WeakPolarHBondContact OG1-CA 3.48Å; T78-T104 PolarHBondContact OG1-OG1 2.93Å; Y81-T104 WeakPolarHBondContact CE1-OG1 3.3Å; Y81-T104 PolarHBondContact OH-OG1 3.09Å; T104-I300 HydrophobicContact CG2-CG2 4.26Å; T104-V312 HydrophobicContact CG2-CG1 3.97Å; T104-L313 PolarHBondContact N-O 3.44Å; T104-L314 HydrophobicContact CG2-CD2 3.77Å; T104-V315 PolarHBondContact O-N 3.49Å |
| 105 | E | 95 | Very high | 92.5 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 156.8 | 173.5 | 68.5 | 151.4 | 155.2 | 0 | 0 | 112.2 | D80 Y81 T107 H294 A295 V315 H316 | D80-E105 WeakPolarHBondContact CA-OE1 3.49Å; Y81-E105 HydrophobicContact CD1-CG 3.83Å; Y81-E105 HydrophobicContact CE1-CG 3.62Å; Y81-E105 PolarHBondContact N-OE1 3.43Å; E105-T107 WeakPolarHBondContact OE2-CB 3.44Å; E105-T107 PolarHBondContact OE2-OG1 2.83Å; E105-H294 IonicContact OE1-ND1 2.8Å; E105-H294 IonicContact OE2-CE1 2.74Å; E105-H294 IonicContact OE2-CG 3.42Å; E105-H294 IonicContact OE2-ND1 2.64Å; E105-H294 PolarHBondContact OE2-ND1 2.8Å; E105-A295 PolarHBondContact OE1-N 2.86Å; E105-V315 CarbonylContact C-O 3.52Å; E105-V315 WeakPolarHBondContact CA-O 3.42Å; E105-H316 HydrophobicContact CB-CB 4.36Å |
| 106 | S | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -137.8 | 22.8 | -176.7 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | Y108 A109 V315 H316 G317 M322 | S106-Y108 VanDerWaalsContact C-N 3.28Å; S106-Y108 PolarHBondContact O-N 2.94Å; S106-Y108 VanDerWaalsContact O-N 3.15Å; S106-A109 VanDerWaalsContact O-CB 3.25Å; S106-A109 WeakPolarHBondContact O-CB 3.43Å; S106-A109 PolarHBondContact O-N 3.46Å; S106-A109 VanDerWaalsContact O-N 3.11Å; S106-V315 PolarHBondContact N-O 2.9Å; S106-V315 PolarHBondContact OG-O 3.33Å; S106-H316 CarbonylContact C-O 3.5Å; S106-H316 PolarHBondContact N-O 3.01Å; S106-G317 WeakPolarHBondContact OG-CA 3.48Å; S106-G317 PolarHBondContact OG-N 3.09Å; S106-M322 VanDerWaalsContact OG-CG 3.22Å; S106-M322 WeakPolarHBondContact OG-CG 3.4Å; S106-M322 PolarHBondContact OG-SD 3.5Å | ||
| 107 | T | 90.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -42.7 | -174.4 | -52.4 | 0 | 0 | 0 | 0 | 113.3 | E105 H294 H316 | E105-T107 WeakPolarHBondContact OE2-CB 3.44Å; E105-T107 PolarHBondContact OE2-OG1 2.83Å; T107-H294 HydrophobicContact CG2-CB 4.42Å; T107-H294 PolarHBondContact OG1-ND1 3.44Å; T107-H316 PolarHBondContact N-O 2.94Å; T107-H316 VanDerWaalsContact N-O 3.14Å; T107-H316 PolarHBondContact OG1-ND1 3.46Å; T107-H316 PolarHBondContact OG1-O 3.22Å |
| 108 | Y | 90.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 45 Ų | 45 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -116.6 | 36.9 | -179.8 | -72.6 | -85.5 | 0 | 0 | 0 | 113 | S106 T110 T111 R113 Y255 S292 H294 A295 A297 | S106-Y108 VanDerWaalsContact C-N 3.28Å; S106-Y108 PolarHBondContact O-N 2.94Å; S106-Y108 VanDerWaalsContact O-N 3.15Å; Y108-T110 PolarHBondContact O-N 3.38Å; Y108-T111 HydrophobicContact CD1-CG2 4.13Å; Y108-T111 PolarHBondContact O-N 3.14Å; Y108-R113 VanDerWaalsContact CD2-NH2 3.32Å; Y108-Y255 WeakPolarHBondContact OH-CB 3.39Å; Y108-Y255 PolarHBondContact OH-N 2.74Å; Y108-Y255 VanDerWaalsContact OH-N 3.13Å; Y108-S292 WeakPolarHBondContact CE2-OG 3.31Å; Y108-S292 WeakPolarHBondContact OH-CB 3.24Å; Y108-S292 PolarHBondContact OH-OG 2.66Å; Y108-H294 HydrophobicContact CD2-CB 3.71Å; Y108-H294 HydrophobicContact CE2-CB 3.92Å; Y108-A295 WeakPolarHBondContact CB-O 3.21Å; Y108-A297 PolarHBondContact O-N 3Å |
| 109 | A | 90.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -33.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | S106 A297 K321 L325 | S106-A109 VanDerWaalsContact O-CB 3.25Å; S106-A109 WeakPolarHBondContact O-CB 3.43Å; S106-A109 PolarHBondContact O-N 3.46Å; S106-A109 VanDerWaalsContact O-N 3.11Å; A109-A297 VanDerWaalsContact O-CB 3.25Å; A109-A297 WeakPolarHBondContact O-CB 3.47Å; A109-K321 HydrophobicContact CB-CB 4.06Å; A109-K321 WeakPolarHBondContact CB-O 3.38Å; A109-L325 HydrophobicContact CB-CB 3.71Å; A109-L325 HydrophobicContact CB-CD2 3.77Å; A109-L325 HydrophobicContact CB-CG 4.32Å |
| 110 | T | 91.3 | Very high | 91.8 | Very high | 61 Ų | 61 | 41 Ų | 41 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -3.3 | -179.5 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | Y108 K321 F324 | Y108-T110 PolarHBondContact O-N 3.38Å; T110-K321 HydrophobicContact CG2-CB 3.85Å; T110-K321 HydrophobicContact CG2-CG 3.89Å; T110-F324 HydrophobicContact CG2-CB 3.94Å; T110-F324 HydrophobicContact CG2-CD1 3.63Å; T110-F324 HydrophobicContact CG2-CE1 4.36Å; T110-F324 HydrophobicContact CG2-CG 3.89Å |
| 111 | T | 89.2 | Confident | 91.8 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | trans | -98 | 129.9 | -173.6 | -54.9 | 0 | 0 | 0 | 0 | 110.1 | Y108 R113 D296 A297 | Y108-T111 HydrophobicContact CD1-CG2 4.13Å; Y108-T111 PolarHBondContact O-N 3.14Å; T111-R113 HydrophobicContact CG2-CG 4.44Å; T111-D296 WeakPolarHBondContact O-CB 3.35Å; T111-A297 WeakPolarHBondContact O-CB 3.36Å; T111-A297 PolarHBondContact O-N 3.08Å | ||
| 112 | I | 88.7 | Confident | 91.8 | Very high | 123 Ų | 123 | 51.1 Ų | 51.1 | 63% | 0.631 | 25% | 0.248 | S | C | * | . | trans | -107.9 | 124.6 | 167.3 | -60.8 | 175.7 | 0 | 0 | 0 | 106.7 | A297 | I112-A297 HydrophobicContact CG1-CB 4.39Š| ||
| 113 | R | 87.6 | Confident | 91.7 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 13% | 0.125 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -87.2 | 142 | -177.8 | -66.7 | -174.5 | -173.2 | 138.4 | 9.6 | 111.5 | Y108 T111 S290 S292 H294 D296 | Y108-R113 VanDerWaalsContact CD2-NH2 3.32Å; T111-R113 HydrophobicContact CG2-CG 4.44Å; R113-S290 PolarHBondContact NE-OG 2.96Å; R113-S292 PolarHBondContact NH1-O 3.44Å; R113-S292 VanDerWaalsContact NH1-O 3.08Å; R113-S292 PolarHBondContact NH2-OG 3.27Å; R113-H294 PolarHBondContact NH1-O 2.96Å; R113-H294 PolarHBondContact NH2-O 2.92Å; R113-D296 HydrophobicContact CG-CB 4Å; R113-D296 PolarHBondContact N-OD2 3.43Å; R113-D296 VanDerWaalsContact N-OD2 3.14Å |
| 114 | D | 85.3 | Confident | 91.6 | Very high | 119 Ų | 119 | 52.2 Ų | 52.2 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 161.3 | 166.1 | -67.6 | -41.3 | 0 | 0 | 0 | 111.7 | K116 R119 | D114-K116 PolarHBondContact O-N 3.14Å; D114-R119 HydrophobicContact CB-CG 4.19Å; D114-R119 PolarHBondContact O-NE 3.47Å; D114-R119 VanDerWaalsContact O-NE 3.11Å |
| 115 | S | 88.3 | Confident | 91.6 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 136.7 | 175.3 | 83.7 | 0 | 0 | 0 | 0 | 111 | R117 C118 R119 | S115-R117 PolarHBondContact O-N 3.31Å; S115-C118 PolarHBondContact O-N 2.94Å; S115-C118 VanDerWaalsContact O-N 3.09Å; S115-C118 WeakPolarHBondContact OG-CB 3.44Å; S115-C118 PolarHBondContact OG-N 3.48Å; S115-C118 PolarHBondContact OG-SG 2.53Å; S115-R119 PolarHBondContact O-N 3.48Å |
| 116 | K | 87.5 | Confident | 91.7 | Very high | 48 Ų | 48 | 59.6 Ų | 59.6 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -50.8 | -42.4 | 177.9 | 179 | 175.1 | 177.9 | 160.7 | 0 | 111.8 | P85 D86 D114 C118 R119 E120 E149 | P85-K116 PolarHBondContact O-NZ 3.13Å; D86-K116 VanDerWaalsContact CA-NZ 3.32Å; D86-K116 IonicContact OD1-NZ 2.88Å; D114-K116 PolarHBondContact O-N 3.14Å; K116-C118 PolarHBondContact O-N 3.48Å; K116-R119 PolarHBondContact O-N 3.04Å; K116-E120 WeakPolarHBondContact CE-OE1 3.34Å; K116-E120 HydrophobicContact CG-CG 4.22Å; K116-E120 IonicContact NZ-OE1 3.92Å; K116-E120 WeakPolarHBondContact O-CG 3.23Å; K116-E120 PolarHBondContact O-N 2.89Å; K116-E149 IonicContact NZ-OE1 2.74Å; K116-E149 PolarHBondContact NZ-OE1 2.84Å |
| 117 | R | 89.7 | Confident | 91.9 | Very high | 212 Ų | 212 | 59.6 Ų | 59.6 | 80% | 0.8 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | -179.3 | -172.2 | 176.6 | -179.5 | 172.9 | -0.6 | 112.8 | S115 R121 | S115-R117 PolarHBondContact O-N 3.31Å; R117-R121 WeakPolarHBondContact O-CB 3.28Å; R117-R121 PolarHBondContact O-N 3.14Å |
| 118 | C | 91.1 | Very high | 92.2 | Very high | 50 Ų | 50 | 60.8 Ų | 60.8 | 34% | 0.338 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 176.9 | -72.6 | 0 | 0 | 0 | 0 | 111.3 | S115 K116 R121 D122 | S115-C118 PolarHBondContact O-N 2.94Å; S115-C118 VanDerWaalsContact O-N 3.09Å; S115-C118 WeakPolarHBondContact OG-CB 3.44Å; S115-C118 PolarHBondContact OG-N 3.48Å; S115-C118 PolarHBondContact OG-SG 2.53Å; K116-C118 PolarHBondContact O-N 3.48Å; C118-R121 PolarHBondContact O-N 3.1Å; C118-D122 PolarHBondContact O-N 2.82Å |
| 119 | R | 91.4 | Very high | 92.5 | Very high | 41 Ų | 41 | 64.5 Ų | 64.5 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 178.5 | -67.7 | -174.4 | -70.1 | 112.3 | 1.1 | 112.4 | D114 S115 K116 R121 D122 F123 S290 F291 | D114-R119 HydrophobicContact CB-CG 4.19Å; D114-R119 PolarHBondContact O-NE 3.47Å; D114-R119 VanDerWaalsContact O-NE 3.11Å; S115-R119 PolarHBondContact O-N 3.48Å; K116-R119 PolarHBondContact O-N 3.04Å; R119-R121 VanDerWaalsContact C-N 3.34Å; R119-R121 PolarHBondContact O-N 3.45Å; R119-D122 PolarHBondContact O-N 3.47Å; R119-F123 WeakPolarHBondContact O-CB 3.44Å; R119-F123 PolarHBondContact O-N 3.32Å; R119-S290 WeakPolarHBondContact CD-O 3.46Å; R119-S290 PolarHBondContact NH1-O 2.76Å; R119-F291 HydrophobicContact CB-CE1 4.48Å; R119-F291 HydrophobicContact CB-CZ 4.27Å |
| 120 | E | 93.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 64.6 Ų | 64.6 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 176.2 | -72.3 | -175.3 | 163.3 | 0 | 0 | 111.8 | R87 K116 F123 L124 L153 F291 | R87-E120 IonicContact CZ-OE1 3.03Å; R87-E120 IonicContact CZ-OE2 2.83Å; R87-E120 IonicContact NE-OE1 2.73Å; R87-E120 PolarHBondContact NE-OE1 3.37Å; R87-E120 IonicContact NE-OE2 2.87Å; R87-E120 IonicContact NH2-OE1 3.38Å; R87-E120 PolarHBondContact NH2-OE1 2.94Å; R87-E120 IonicContact NH2-OE2 2.81Å; R87-E120 PolarHBondContact NH2-OE2 3.34Å; K116-E120 WeakPolarHBondContact CE-OE1 3.34Å; K116-E120 HydrophobicContact CG-CG 4.22Å; K116-E120 IonicContact NZ-OE1 3.92Å; K116-E120 WeakPolarHBondContact O-CG 3.23Å; K116-E120 PolarHBondContact O-N 2.89Å; E120-F123 PolarHBondContact O-N 3.41Å; E120-L124 WeakPolarHBondContact O-CB 3.3Å; E120-L124 VanDerWaalsContact O-CG 3.26Å; E120-L124 WeakPolarHBondContact O-CG 3.37Å; E120-L124 PolarHBondContact O-N 2.78Å; E120-L153 HydrophobicContact CB-CD1 4.19Å; E120-L153 HydrophobicContact CB-CD2 4.11Å; E120-L153 HydrophobicContact CG-CD1 4.14Å; E120-L153 HydrophobicContact CG-CD2 3.89Å; E120-F291 HydrophobicContact CG-CE1 4.29Å |
| 121 | R | 94.3 | Very high | 93.1 | Very high | 169 Ų | 169 | 62 Ų | 62 | 64% | 0.638 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.1 | -47.1 | 176.8 | 179.5 | -172.8 | 63.9 | -165.3 | -2.8 | 111.6 | R117 C118 R119 L124 K125 | R117-R121 WeakPolarHBondContact O-CB 3.28Å; R117-R121 PolarHBondContact O-N 3.14Å; C118-R121 PolarHBondContact O-N 3.1Å; R119-R121 VanDerWaalsContact C-N 3.34Å; R119-R121 PolarHBondContact O-N 3.45Å; R121-L124 PolarHBondContact O-N 3.06Å; R121-K125 WeakPolarHBondContact O-CB 3.48Å; R121-K125 PolarHBondContact O-N 3.28Å |
| 122 | D | 95.5 | Very high | 93.5 | Very high | 62 Ų | 62 | 66.4 Ų | 66.4 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | -179.7 | -171.6 | 50.7 | 0 | 0 | 0 | 111.5 | C118 R119 K125 K126 | C118-D122 PolarHBondContact O-N 2.82Å; R119-D122 PolarHBondContact O-N 3.47Å; D122-K125 PolarHBondContact O-N 2.91Å; D122-K126 WeakPolarHBondContact O-CG 3.25Å; D122-K126 PolarHBondContact O-N 2.94Å; D122-K126 WeakPolarHBondContact OD1-CE 3.45Å; D122-K126 WeakPolarHBondContact OD2-CE 3.48Å; D122-K126 IonicContact OD2-NZ 2.66Å; D122-K126 PolarHBondContact OD2-NZ 3.27Å |
| 123 | F | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.4 | -53.2 | 173.3 | 174.4 | -101.8 | 0 | 0 | 0 | 112.6 | R119 E120 K125 K126 V127 I139 L150 L153 L154 I251 M289 F291 | R119-F123 WeakPolarHBondContact O-CB 3.44Å; R119-F123 PolarHBondContact O-N 3.32Å; E120-F123 PolarHBondContact O-N 3.41Å; F123-K125 VanDerWaalsContact C-N 3.28Å; F123-K125 PolarHBondContact O-N 3.25Å; F123-K126 PolarHBondContact O-N 3.45Å; F123-V127 HydrophobicContact CD2-CG2 4.22Å; F123-V127 HydrophobicContact CE1-CG2 4.29Å; F123-V127 HydrophobicContact CE2-CG2 3.92Å; F123-V127 HydrophobicContact CZ-CG2 3.96Å; F123-V127 WeakPolarHBondContact O-CB 3.41Å; F123-V127 VanDerWaalsContact O-CG2 3.24Å; F123-V127 WeakPolarHBondContact O-CG2 3.48Å; F123-V127 PolarHBondContact O-N 3.13Å; F123-I139 HydrophobicContact CE2-CD1 3.93Å; F123-I139 HydrophobicContact CZ-CD1 3.76Å; F123-L150 HydrophobicContact CE1-CD2 4.16Å; F123-L150 HydrophobicContact CE2-CD2 4.32Å; F123-L150 HydrophobicContact CZ-CD2 4.05Å; F123-L153 HydrophobicContact CD1-CD2 3.59Å; F123-L153 HydrophobicContact CD1-CG 4.45Å; F123-L153 HydrophobicContact CE1-CD2 3.97Å; F123-L154 HydrophobicContact CD1-CD2 4.43Å; F123-L154 HydrophobicContact CE1-CD1 4.42Å; F123-L154 HydrophobicContact CE1-CD2 3.53Å; F123-L154 HydrophobicContact CE1-CG 3.83Å; F123-L154 HydrophobicContact CZ-CD1 4.29Å; F123-L154 HydrophobicContact CZ-CD2 4.09Å; F123-L154 HydrophobicContact CZ-CG 4.19Å; F123-I251 HydrophobicContact CD2-CD1 3.86Å; F123-I251 HydrophobicContact CD2-CG2 4.3Å; F123-I251 HydrophobicContact CE2-CD1 3.77Å; F123-I251 HydrophobicContact CE2-CG2 4.33Å; F123-M289 VanDerWaalsContact CA-SD 3.56Å; F123-M289 HydrophobicContact CB-SD 3.66Å; F123-M289 HydrophobicContact CD2-SD 3.65Å; F123-M289 HydrophobicContact CG-SD 4.15Å; F123-F291 HydrophobicContact CB-CE2 3.62Å; F123-F291 HydrophobicContact CB-CZ 3.49Å; F123-F291 VanDerWaalsContact CB-CZ 3.49Å; F123-F291 HydrophobicContact CD1-CZ 4.47Å; F123-F291 AromaticContact CD2-CE2 3.82Å; F123-F291 HydrophobicContact CD2-CE2 3.82Å; F123-F291 HydrophobicContact CD2-CZ 4.31Å; F123-F291 AromaticContact CG-CE2 3.83Å; F123-F291 HydrophobicContact CG-CE2 3.83Å; F123-F291 AromaticContact CG-CZ 3.86Å; F123-F291 HydrophobicContact CG-CZ 3.86Å |
| 124 | L | 96.8 | Very high | 94.2 | Very high | 25 Ų | 25 | 64.6 Ų | 64.6 | 13% | 0.131 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -40 | 179.7 | -69.5 | 175.4 | 0 | 0 | 0 | 111.8 | E120 R121 H128 L153 L154 F157 | E120-L124 WeakPolarHBondContact O-CB 3.3Å; E120-L124 VanDerWaalsContact O-CG 3.26Å; E120-L124 WeakPolarHBondContact O-CG 3.37Å; E120-L124 PolarHBondContact O-N 2.78Å; R121-L124 PolarHBondContact O-N 3.06Å; L124-H128 WeakPolarHBondContact O-CB 3.35Å; L124-H128 PolarHBondContact O-N 3.24Å; L124-L153 HydrophobicContact CD1-CD1 4.02Å; L124-L153 HydrophobicContact CD1-CG 4.43Å; L124-L153 HydrophobicContact CD2-CG 4.08Å; L124-L153 HydrophobicContact CG-CD1 4.42Å; L124-L153 HydrophobicContact CG-CG 4.32Å; L124-L154 HydrophobicContact CD2-CD2 3.79Å; L124-F157 HydrophobicContact CB-CD2 4.31Å; L124-F157 HydrophobicContact CB-CE2 4.26Å; L124-F157 HydrophobicContact CB-CZ 4.43Å; L124-F157 HydrophobicContact CD1-CB 4.17Å; L124-F157 HydrophobicContact CD1-CD2 3.72Å; L124-F157 HydrophobicContact CD1-CE2 4.34Å; L124-F157 HydrophobicContact CD1-CG 4.06Å; L124-F157 HydrophobicContact CD2-CB 3.6Å; L124-F157 HydrophobicContact CD2-CD1 3.91Å; L124-F157 HydrophobicContact CD2-CD2 4.11Å; L124-F157 HydrophobicContact CD2-CG 3.61Å; L124-F157 HydrophobicContact CG-CB 4.49Å; L124-F157 HydrophobicContact CG-CD2 4.26Å; L124-F157 HydrophobicContact CG-CG 4.27Å |
| 125 | K | 96.8 | Very high | 94.7 | Very high | 115 Ų | 115 | 59 Ų | 59 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -54.9 | 176.5 | -178.4 | -177.4 | 173 | -174.2 | 0 | 111.3 | R121 D122 F123 V127 H128 E129 | R121-K125 WeakPolarHBondContact O-CB 3.48Å; R121-K125 PolarHBondContact O-N 3.28Å; D122-K125 PolarHBondContact O-N 2.91Å; F123-K125 VanDerWaalsContact C-N 3.28Å; F123-K125 PolarHBondContact O-N 3.25Å; K125-V127 VanDerWaalsContact C-N 3.33Å; K125-V127 PolarHBondContact O-N 3.14Å; K125-H128 PolarHBondContact O-N 3.15Å; K125-E129 WeakPolarHBondContact CE-OE1 3.13Å; K125-E129 HydrophobicContact CG-CG 4.39Å; K125-E129 WeakPolarHBondContact CG-OE1 3.3Å; K125-E129 IonicContact NZ-OE1 3.41Å; K125-E129 WeakPolarHBondContact O-CB 3.41Å; K125-E129 WeakPolarHBondContact O-CG 3.44Å; K125-E129 PolarHBondContact O-N 3.27Å |
| 126 | K | 97.2 | Very high | 95.2 | Very high | 41 Ų | 41 | 57 Ų | 57 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | -178.1 | -63.4 | -164 | -157.4 | 160.4 | 0 | 112.3 | D122 F123 T130 M249 E287 M289 | D122-K126 WeakPolarHBondContact O-CG 3.25Å; D122-K126 PolarHBondContact O-N 2.94Å; D122-K126 WeakPolarHBondContact OD1-CE 3.45Å; D122-K126 WeakPolarHBondContact OD2-CE 3.48Å; D122-K126 IonicContact OD2-NZ 2.66Å; D122-K126 PolarHBondContact OD2-NZ 3.27Å; F123-K126 PolarHBondContact O-N 3.45Å; K126-T130 VanDerWaalsContact O-CB 3.31Å; K126-T130 WeakPolarHBondContact O-CB 3.43Å; K126-T130 PolarHBondContact O-N 2.84Å; K126-T130 VanDerWaalsContact O-N 3.1Å; K126-T130 PolarHBondContact O-OG1 2.82Å; K126-M249 HydrophobicContact CB-CE 4.08Å; K126-M249 HydrophobicContact CB-SD 4.1Å; K126-M249 WeakPolarHBondContact O-CE 3.35Å; K126-E287 HydrophobicContact CD-CG 4.03Å; K126-E287 IonicContact NZ-OE2 3.81Å; K126-E287 PolarHBondContact NZ-OE2 2.83Å; K126-M289 HydrophobicContact CB-CE 4.01Å; K126-M289 HydrophobicContact CD-CE 3.32Å; K126-M289 HydrophobicContact CG-CE 3.82Å |
| 127 | V | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -49.2 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | F123 K125 T130 V131 V137 L154 W158 V222 I251 | F123-V127 HydrophobicContact CD2-CG2 4.22Å; F123-V127 HydrophobicContact CE1-CG2 4.29Å; F123-V127 HydrophobicContact CE2-CG2 3.92Å; F123-V127 HydrophobicContact CZ-CG2 3.96Å; F123-V127 WeakPolarHBondContact O-CB 3.41Å; F123-V127 VanDerWaalsContact O-CG2 3.24Å; F123-V127 WeakPolarHBondContact O-CG2 3.48Å; F123-V127 PolarHBondContact O-N 3.13Å; K125-V127 VanDerWaalsContact C-N 3.33Å; K125-V127 PolarHBondContact O-N 3.14Å; V127-T130 PolarHBondContact O-N 3.15Å; V127-V131 WeakPolarHBondContact O-CG2 3.21Å; V127-V131 PolarHBondContact O-N 3.39Å; V127-V137 HydrophobicContact CG2-CG1 4.39Å; V127-L154 HydrophobicContact CG1-CD2 4.13Å; V127-W158 HydrophobicContact CG1-CH2 3.75Å; V127-W158 HydrophobicContact CG1-CZ3 4.17Å; V127-V222 HydrophobicContact CG1-CG2 3.95Å; V127-I251 HydrophobicContact CG2-CD1 3.58Å |
| 128 | H | 97.1 | Very high | 96.1 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 18% | 0.181 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -52.7 | -179.9 | -175.9 | -95 | 0 | 0 | 0 | 112.3 | L124 K125 T130 V131 E132 F157 | L124-H128 WeakPolarHBondContact O-CB 3.35Å; L124-H128 PolarHBondContact O-N 3.24Å; K125-H128 PolarHBondContact O-N 3.15Å; H128-T130 PolarHBondContact O-N 3.34Å; H128-V131 WeakPolarHBondContact O-CG2 3.46Å; H128-V131 PolarHBondContact O-N 2.78Å; H128-V131 VanDerWaalsContact O-N 3.17Å; H128-E132 IonicContact CE1-OE2 3.62Å; H128-E132 PolarHBondContact CE1-OE2 2.64Å; H128-E132 IonicContact ND1-OE2 3.16Å; H128-E132 VanDerWaalsContact O-CB 3.29Å; H128-E132 WeakPolarHBondContact O-CB 2.95Å; H128-E132 PolarHBondContact O-N 3.42Å; H128-F157 HydrophobicContact CB-CE1 4.15Å; H128-F157 HydrophobicContact CB-CZ 4.27Å |
| 129 | E | 97.1 | Very high | 96.3 | Very high | 84 Ų | 84 | 42.2 Ų | 42.2 | 39% | 0.393 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.9 | -31.5 | 178.8 | -71.1 | 173 | 167.9 | 0 | 0 | 112.1 | K125 R133 | K125-E129 WeakPolarHBondContact CE-OE1 3.13Å; K125-E129 HydrophobicContact CG-CG 4.39Å; K125-E129 WeakPolarHBondContact CG-OE1 3.3Å; K125-E129 IonicContact NZ-OE1 3.41Å; K125-E129 WeakPolarHBondContact O-CB 3.41Å; K125-E129 WeakPolarHBondContact O-CG 3.44Å; K125-E129 PolarHBondContact O-N 3.27Å; E129-R133 WeakPolarHBondContact O-CG 3.31Å; E129-R133 PolarHBondContact O-N 3.03Å |
| 130 | T | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.7 | -41 | 178 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | K126 V127 H128 R133 G135 V137 M249 | K126-T130 VanDerWaalsContact O-CB 3.31Å; K126-T130 WeakPolarHBondContact O-CB 3.43Å; K126-T130 PolarHBondContact O-N 2.84Å; K126-T130 VanDerWaalsContact O-N 3.1Å; K126-T130 PolarHBondContact O-OG1 2.82Å; V127-T130 PolarHBondContact O-N 3.15Å; H128-T130 PolarHBondContact O-N 3.34Å; T130-R133 WeakPolarHBondContact O-CG 3.48Å; T130-R133 VanDerWaalsContact OG1-CZ 3.23Å; T130-R133 PolarHBondContact OG1-NH1 3.33Å; T130-R133 PolarHBondContact OG1-NH2 3.42Å; T130-G135 VanDerWaalsContact O-CA 3.3Å; T130-G135 WeakPolarHBondContact O-CA 3.15Å; T130-G135 PolarHBondContact O-N 3.17Å; T130-V137 HydrophobicContact CG2-CG2 3.45Å; T130-V137 VanDerWaalsContact CG2-CG2 3.45Å; T130-M249 HydrophobicContact CG2-CB 3.93Å; T130-M249 HydrophobicContact CG2-CE 4.39Å; T130-M249 VanDerWaalsContact OG1-CE 3.23Å; T130-M249 WeakPolarHBondContact OG1-CE 3.24Å |
| 131 | V | 96.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74.5 | -31.8 | 177.7 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | V127 H128 G134 V137 V165 P220 V222 | V127-V131 WeakPolarHBondContact O-CG2 3.21Å; V127-V131 PolarHBondContact O-N 3.39Å; H128-V131 WeakPolarHBondContact O-CG2 3.46Å; H128-V131 PolarHBondContact O-N 2.78Å; H128-V131 VanDerWaalsContact O-N 3.17Å; V131-G134 WeakPolarHBondContact O-CA 3.36Å; V131-G134 PolarHBondContact O-N 3.03Å; V131-V137 HydrophobicContact CG1-CG2 4.2Å; V131-V165 HydrophobicContact CB-CG1 4.07Å; V131-V165 HydrophobicContact CB-CG2 4.2Å; V131-V165 HydrophobicContact CG1-CG1 3.98Å; V131-V165 HydrophobicContact CG2-CG2 4.29Å; V131-P220 HydrophobicContact CB-CB 4.06Å; V131-P220 HydrophobicContact CG1-CB 4.45Å; V131-P220 WeakPolarHBondContact O-CB 3.28Å; V131-V222 HydrophobicContact CG1-CG2 3.78Å |
| 132 | E | 95.9 | Very high | 96.1 | Very high | 141 Ų | 141 | 36.8 Ų | 36.8 | 66% | 0.659 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -64.2 | -39.1 | 177.4 | -173.7 | 170.7 | -156.4 | 0 | 0 | 112.1 | H128 G134 | H128-E132 IonicContact CE1-OE2 3.62Å; H128-E132 PolarHBondContact CE1-OE2 2.64Å; H128-E132 IonicContact ND1-OE2 3.16Å; H128-E132 VanDerWaalsContact O-CB 3.29Å; H128-E132 WeakPolarHBondContact O-CB 2.95Å; H128-E132 PolarHBondContact O-N 3.42Å; E132-G134 PolarHBondContact O-N 3.45Å |
| 133 | R | 95.7 | Very high | 95.3 | Very high | 82 Ų | 82 | 34.6 Ų | 34.6 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 5.1 | 171.8 | 69.1 | -175.7 | -178.2 | -125.6 | 10.5 | 114.6 | E129 T130 K247 Q285 | E129-R133 WeakPolarHBondContact O-CG 3.31Å; E129-R133 PolarHBondContact O-N 3.03Å; T130-R133 WeakPolarHBondContact O-CG 3.48Å; T130-R133 VanDerWaalsContact OG1-CZ 3.23Å; T130-R133 PolarHBondContact OG1-NH1 3.33Å; T130-R133 PolarHBondContact OG1-NH2 3.42Å; R133-K247 PolarHBondContact NE-O 3.03Å; R133-K247 PolarHBondContact NH2-O 2.78Å; R133-K247 VanDerWaalsContact NH2-O 3.1Å; R133-Q285 VanDerWaalsContact NH2-CD 3.34Å |
| 134 | G | 95.8 | Very high | 94.7 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 37% | 0.371 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 17.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V131 E132 | V131-G134 WeakPolarHBondContact O-CA 3.36Å; V131-G134 PolarHBondContact O-N 3.03Å; E132-G134 PolarHBondContact O-N 3.45Å |
| 135 | G | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -84.4 | 161.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T130 P220 K247 | T130-G135 VanDerWaalsContact O-CA 3.3Å; T130-G135 WeakPolarHBondContact O-CA 3.15Å; T130-G135 PolarHBondContact O-N 3.17Å; G135-P220 WeakPolarHBondContact O-CA 3.27Å; G135-P220 WeakPolarHBondContact O-CB 3.37Å; G135-K247 WeakPolarHBondContact CA-O 3.39Å | ||
| 136 | K | 97.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 32.4 Ų | 32.4 | 11% | 0.109 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.1 | 173.7 | -53.3 | -173.5 | 178.5 | -173.9 | 0 | 110.7 | A215 N217 G219 M221 W242 N248 M249 | K136-A215 PolarHBondContact NZ-O 2.94Å; K136-N217 WeakPolarHBondContact CE-O 3.26Å; K136-N217 PolarHBondContact NZ-O 3Å; K136-G219 WeakPolarHBondContact CE-O 3.18Å; K136-M221 CarbonylContact C-O 3.56Å; K136-M221 WeakPolarHBondContact CA-O 3.38Å; K136-M221 HydrophobicContact CB-CG 4.22Å; K136-M221 HydrophobicContact CD-CE 4.24Å; K136-M221 HydrophobicContact CD-CG 4.01Å; K136-M221 HydrophobicContact CD-SD 4.12Å; K136-M221 HydrophobicContact CG-CG 3.99Å; K136-W242 HydrophobicContact CB-CD2 4.07Å; K136-W242 HydrophobicContact CB-CE3 3.71Å; K136-W242 HydrophobicContact CB-CH2 3.97Å; K136-W242 HydrophobicContact CB-CZ2 4.34Å; K136-W242 HydrophobicContact CB-CZ3 3.66Å; K136-W242 HydrophobicContact CD-CD2 3.9Å; K136-W242 VanDerWaalsContact CD-CE2 3.45Å; K136-W242 HydrophobicContact CD-CE3 4.35Å; K136-W242 HydrophobicContact CD-CG 4.44Å; K136-W242 HydrophobicContact CD-CH2 4.01Å; K136-W242 HydrophobicContact CD-CZ2 3.54Å; K136-W242 HydrophobicContact CD-CZ3 4.4Å; K136-N248 WeakPolarHBondContact CB-OD1 3.38Å; K136-N248 PolarHBondContact N-OD1 2.84Å; K136-N248 CarbonylContact O-C 3.52Å; K136-N248 VanDerWaalsContact O-CA 3.25Å; K136-N248 WeakPolarHBondContact O-CA 3.35Å; K136-N248 WeakPolarHBondContact O-CB 3.3Å; K136-M249 PolarHBondContact O-N 3.24Å |
| 137 | V | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119.9 | 177.1 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | V127 T130 V131 I139 M221 V222 V223 M249 I251 | V127-V137 HydrophobicContact CG2-CG1 4.39Å; T130-V137 HydrophobicContact CG2-CG2 3.45Å; T130-V137 VanDerWaalsContact CG2-CG2 3.45Å; V131-V137 HydrophobicContact CG1-CG2 4.2Å; V137-I139 HydrophobicContact CG1-CD1 4.3Å; V137-I139 HydrophobicContact CG1-CG1 3.9Å; V137-M221 PolarHBondContact N-O 3.25Å; V137-V222 HydrophobicContact CB-CG1 4.26Å; V137-V222 HydrophobicContact CB-CG2 4.2Å; V137-V222 HydrophobicContact CG1-CG1 4.46Å; V137-V222 HydrophobicContact CG2-CG2 4.44Å; V137-V222 CarbonylContact O-C 3.57Å; V137-V222 WeakPolarHBondContact O-CA 3.34Å; V137-V223 PolarHBondContact O-N 3.13Å; V137-M249 CarbonylContact C-O 3.13Å; V137-M249 WeakPolarHBondContact CA-O 3.19Å; V137-M249 HydrophobicContact CG1-CE 3.93Å; V137-M249 HydrophobicContact CG2-CE 3.97Å; V137-I251 HydrophobicContact CG1-CD1 4.12Å; V137-I251 HydrophobicContact CG1-CG1 4.3Å |
| 138 | L | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.8 | 171 | 178.3 | 61.6 | 0 | 0 | 0 | 109.8 | P140 A225 L230 I238 F239 W242 M249 V250 I251 | L138-P140 HydrophobicContact CD2-CG 4.41Å; L138-P140 HydrophobicContact CG-CG 4.12Å; L138-A225 HydrophobicContact CD1-CB 3.8Å; L138-L230 HydrophobicContact CD2-CD2 4.35Å; L138-I238 HydrophobicContact CD1-CB 4.2Å; L138-I238 HydrophobicContact CD1-CD1 4.48Å; L138-I238 HydrophobicContact CD1-CG2 3.86Å; L138-I238 HydrophobicContact CD2-CG2 4.27Å; L138-F239 HydrophobicContact CD2-CB 3.7Å; L138-F239 HydrophobicContact CD2-CD2 4.24Å; L138-F239 HydrophobicContact CD2-CG 4.48Å; L138-W242 HydrophobicContact CB-CE3 4.02Å; L138-W242 HydrophobicContact CB-CZ3 4.09Å; L138-M249 PolarHBondContact N-O 2.85Å; L138-V250 HydrophobicContact CB-CB 4.44Å; L138-V250 HydrophobicContact CB-CG2 4.31Å; L138-V250 HydrophobicContact CD2-CG2 4.24Å; L138-V250 HydrophobicContact CG-CG2 4.27Å; L138-V250 WeakPolarHBondContact O-CA 3.22Å; L138-I251 PolarHBondContact O-N 3.34Å |
| 139 | I | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 93.8 | 176.8 | -48.3 | 177 | 0 | 0 | 0 | 108.8 | F123 V137 V141 L150 L154 V222 V223 F224 A225 P253 | F123-I139 HydrophobicContact CE2-CD1 3.93Å; F123-I139 HydrophobicContact CZ-CD1 3.76Å; V137-I139 HydrophobicContact CG1-CD1 4.3Å; V137-I139 HydrophobicContact CG1-CG1 3.9Å; I139-V141 HydrophobicContact CG2-CG1 4.03Å; I139-V141 PolarHBondContact O-N 2.92Å; I139-L150 HydrophobicContact CG2-CD1 4.04Å; I139-L154 HydrophobicContact CD1-CD1 4.31Å; I139-V222 HydrophobicContact CD1-CG1 3.8Å; I139-V222 HydrophobicContact CG1-CG1 4.41Å; I139-V223 PolarHBondContact N-O 3.07Å; I139-F224 HydrophobicContact CB-CD1 3.72Å; I139-F224 HydrophobicContact CB-CE1 3.95Å; I139-F224 HydrophobicContact CB-CG 4.46Å; I139-F224 HydrophobicContact CD1-CD1 4.17Å; I139-F224 HydrophobicContact CD1-CE1 3.61Å; I139-F224 HydrophobicContact CD1-CE2 4.49Å; I139-F224 HydrophobicContact CD1-CZ 3.82Å; I139-F224 HydrophobicContact CG1-CD1 4.49Å; I139-F224 HydrophobicContact CG1-CE1 4.36Å; I139-F224 HydrophobicContact CG2-CD1 3.83Å; I139-F224 HydrophobicContact CG2-CE1 3.81Å; I139-F224 WeakPolarHBondContact O-CA 3.43Å; I139-A225 PolarHBondContact O-N 2.96Å; I139-A225 VanDerWaalsContact O-N 3.08Å; I139-P253 HydrophobicContact CG2-CG 4.29Å |
| 140 | P | 94.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 121.4 | 177.1 | -21 | 36.9 | 0 | 0 | 0 | 110.3 | L138 A225 G228 L230 V250 I251 M252 P253 | L138-P140 HydrophobicContact CD2-CG 4.41Å; L138-P140 HydrophobicContact CG-CG 4.12Å; P140-A225 CarbonylContact C-O 3.57Å; P140-A225 VanDerWaalsContact CA-O 3.3Å; P140-A225 WeakPolarHBondContact CA-O 3.27Å; P140-G228 WeakPolarHBondContact CB-O 3.11Å; P140-L230 HydrophobicContact CB-CD2 3.97Å; P140-L230 HydrophobicContact CB-CG 4.14Å; P140-L230 HydrophobicContact CG-CD1 4.22Å; P140-L230 HydrophobicContact CG-CD2 3.53Å; P140-L230 HydrophobicContact CG-CG 3.83Å; P140-V250 HydrophobicContact CG-CG2 3.9Å; P140-I251 WeakPolarHBondContact CD-O 3.26Å; P140-M252 HydrophobicContact CB-CE 4.47Å; P140-M252 HydrophobicContact CB-SD 4.3Å; P140-M252 HydrophobicContact CG-CE 4.5Å; P140-M252 HydrophobicContact CG-SD 3.75Å; P140-P253 WeakPolarHBondContact O-CD 3.32Å; P140-P253 WeakPolarHBondContact O-CG 3.35Å |
| 141 | V | 91.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | trans | -136.6 | 157.2 | -178.9 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | I139 A147 L150 F169 F224 A225 T226 P227 G228 P253 | I139-V141 HydrophobicContact CG2-CG1 4.03Å; I139-V141 PolarHBondContact O-N 2.92Å; V141-A147 HydrophobicContact CB-CB 4.27Å; V141-A147 HydrophobicContact CG2-CB 3.92Å; V141-L150 HydrophobicContact CG1-CD1 4.22Å; V141-F169 HydrophobicContact CG2-CE2 4.46Å; V141-F169 HydrophobicContact CG2-CZ 3.83Å; V141-F224 HydrophobicContact CG1-CD1 4.26Å; V141-F224 HydrophobicContact CG2-CB 4.08Å; V141-F224 HydrophobicContact CG2-CD1 4.1Å; V141-A225 PolarHBondContact N-O 2.93Å; V141-T226 WeakPolarHBondContact O-CA 3.02Å; V141-T226 WeakPolarHBondContact O-CG2 3.28Å; V141-P227 CarbonylContact O-C 3.57Å; V141-G228 PolarHBondContact O-N 3.06Å; V141-P253 HydrophobicContact CG1-CG 3.71Å | ||
| 142 | F | 87.7 | Confident | 92.2 | Very high | 111 Ų | 111 | 24.7 Ų | 24.7 | 49% | 0.487 | 12% | 0.124 | S | C | . | . | trans | -74.4 | 153.2 | 162 | -63.4 | -77 | 0 | 0 | 0 | 110.1 | L144 A147 M229 | F142-L144 PolarHBondContact O-N 2.87Å; F142-A147 WeakPolarHBondContact O-CB 3.29Å; F142-M229 HydrophobicContact CE1-CE 4.48Å; F142-M229 HydrophobicContact CZ-CE 4.03Å; F142-M229 HydrophobicContact CZ-CG 4.04Å; F142-M229 HydrophobicContact CZ-SD 4.43Å | ||
| 143 | A | 79.8 | Confident | 92.1 | Very high | 17 Ų | 17 | 18.1 Ų | 18.1 | 14% | 0.14 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -21.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q148 L173 T174 A177 T226 | A143-Q148 PolarHBondContact O-NE2 2.93Å; A143-L173 HydrophobicContact CB-CB 3.66Å; A143-T174 WeakPolarHBondContact CA-OG1 3.07Å; A143-T174 WeakPolarHBondContact CB-OG1 3.37Å; A143-T174 WeakPolarHBondContact O-CG2 2.79Å; A143-A177 WeakPolarHBondContact O-CB 3.47Å; A143-T226 HydrophobicContact CB-CG2 4.18Å |
| 144 | L | 83.4 | Confident | 92 | Very high | 66 Ų | 66 | 14.2 Ų | 14.2 | 35% | 0.346 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 140.5 | -174.8 | -171.5 | 125.6 | 0 | 0 | 0 | 110.3 | V60 F142 A177 Y181 | V60-L144 HydrophobicContact CB-CD2 3.64Å; V60-L144 HydrophobicContact CG1-CD2 4.08Å; V60-L144 HydrophobicContact CG2-CD2 4.01Å; F142-L144 PolarHBondContact O-N 2.87Å; L144-A177 HydrophobicContact CB-CB 4.42Å; L144-A177 HydrophobicContact CD1-CB 4.07Å; L144-Y181 HydrophobicContact CD1-CE2 4.07Å; L144-Y181 HydrophobicContact CG-CE2 4.01Å |
| 145 | G | 85.7 | Confident | 91.9 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -97.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H88 A147 Q148 E149 Y181 | H88-G145 PolarHBondContact NE2-O 2.88Å; G145-A147 VanDerWaalsContact C-N 3.32Å; G145-A147 PolarHBondContact O-N 3.18Å; G145-Q148 PolarHBondContact O-N 2.98Å; G145-Q148 PolarHBondContact O-OE1 2.96Å; G145-E149 PolarHBondContact O-N 3.32Å; G145-Y181 WeakPolarHBondContact CA-OH 3.47Å; G145-Y181 PolarHBondContact N-OH 2.76Å |
| 146 | R | 87.1 | Confident | 91.7 | Very high | 27 Ų | 27 | 15.2 Ų | 15.2 | 10% | 0.102 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.8 | -28 | -170.2 | -66 | -49.6 | 83.9 | 174 | 20.2 | 114.7 | H59 D86 H88 Q148 E149 L150 F291 A293 | H59-R146 PolarHBondContact O-NH2 2.91Å; D86-R146 IonicContact OD1-CZ 3.99Å; D86-R146 IonicContact OD1-NH1 2.8Å; D86-R146 PolarHBondContact OD1-NH1 3.49Å; D86-R146 IonicContact OD2-CZ 3.53Å; D86-R146 IonicContact OD2-NH1 2.84Å; D86-R146 PolarHBondContact OD2-NH1 3.4Å; D86-R146 IonicContact OD2-NH2 3.38Å; D86-R146 PolarHBondContact OD2-NH2 3.42Å; H88-R146 PolarHBondContact CE1-NH2 3.04Å; R146-Q148 VanDerWaalsContact C-N 3.31Å; R146-Q148 PolarHBondContact O-N 3.41Å; R146-E149 PolarHBondContact O-N 3.5Å; R146-L150 WeakPolarHBondContact O-CG 3.3Å; R146-L150 PolarHBondContact O-N 3.09Å; R146-L150 VanDerWaalsContact O-N 3.08Å; R146-F291 WeakPolarHBondContact CD-O 3.35Å; R146-F291 WeakPolarHBondContact CG-O 3.19Å; R146-A293 HydrophobicContact CG-CB 4.16Å |
| 147 | A | 89.6 | Confident | 91.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -52 | -51.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V141 F142 G145 L150 C151 F169 T174 | V141-A147 HydrophobicContact CB-CB 4.27Å; V141-A147 HydrophobicContact CG2-CB 3.92Å; F142-A147 WeakPolarHBondContact O-CB 3.29Å; G145-A147 VanDerWaalsContact C-N 3.32Å; G145-A147 PolarHBondContact O-N 3.18Å; A147-L150 PolarHBondContact O-N 3.19Å; A147-C151 WeakPolarHBondContact O-CB 3.48Å; A147-C151 PolarHBondContact O-N 3.3Å; A147-C151 PolarHBondContact O-SG 3.38Å; A147-F169 HydrophobicContact CB-CE2 3.87Å; A147-F169 HydrophobicContact CB-CZ 3.47Å; A147-F169 VanDerWaalsContact CB-CZ 3.47Å; A147-T174 HydrophobicContact CB-CG2 4.38Å |
| 148 | Q | 90.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.2 | -40.7 | -177.3 | -71 | 74.7 | 19.4 | 0 | 0 | 112.1 | A143 G145 R146 L150 C151 I152 N178 Y181 F202 | A143-Q148 PolarHBondContact O-NE2 2.93Å; G145-Q148 PolarHBondContact O-N 2.98Å; G145-Q148 PolarHBondContact O-OE1 2.96Å; R146-Q148 VanDerWaalsContact C-N 3.31Å; R146-Q148 PolarHBondContact O-N 3.41Å; Q148-L150 PolarHBondContact O-N 3.34Å; Q148-C151 PolarHBondContact O-N 3.13Å; Q148-I152 VanDerWaalsContact O-CG1 3.31Å; Q148-I152 WeakPolarHBondContact O-CG1 3.48Å; Q148-I152 PolarHBondContact O-N 3.46Å; Q148-N178 PolarHBondContact NE2-OD1 3.26Å; Q148-N178 VanDerWaalsContact NE2-OD1 3.14Å; Q148-Y181 HydrophobicContact CB-CE2 4.39Å; Q148-Y181 VanDerWaalsContact CD-CE2 3.44Å; Q148-Y181 HydrophobicContact CG-CD2 3.74Å; Q148-Y181 HydrophobicContact CG-CE2 3.6Å; Q148-Y181 HydrophobicContact CG-CG 4.33Å; Q148-F202 HydrophobicContact CB-CE1 4.21Å; Q148-F202 HydrophobicContact CG-CD1 4.35Å; Q148-F202 HydrophobicContact CG-CE1 4.36Å |
| 149 | E | 91.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 3% | 0.028 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.8 | -49.5 | 175.7 | -175.8 | 68.9 | 179.8 | 0 | 0 | 111.8 | D86 R87 H88 K116 G145 R146 I152 L153 | D86-E149 WeakPolarHBondContact CB-OE2 3.4Å; R87-E149 WeakPolarHBondContact CA-OE2 3.33Å; R87-E149 VanDerWaalsContact CB-OE2 3.3Å; R87-E149 WeakPolarHBondContact CB-OE2 3.35Å; R87-E149 WeakPolarHBondContact CG-OE1 3.3Å; R87-E149 VanDerWaalsContact N-CD 3.3Å; R87-E149 PolarHBondContact N-OE1 2.82Å; R87-E149 PolarHBondContact N-OE2 3.48Å; H88-E149 IonicContact CE1-OE2 3.38Å; H88-E149 IonicContact CG-OE2 3.33Å; H88-E149 PolarHBondContact N-OE2 3.41Å; H88-E149 IonicContact ND1-OE2 2.64Å; H88-E149 PolarHBondContact ND1-OE2 3.17Å; K116-E149 IonicContact NZ-OE1 2.74Å; K116-E149 PolarHBondContact NZ-OE1 2.84Å; G145-E149 PolarHBondContact O-N 3.32Å; R146-E149 PolarHBondContact O-N 3.5Å; E149-I152 PolarHBondContact O-N 3.15Å; E149-L153 PolarHBondContact O-N 3.43Å |
| 150 | L | 93.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.5 | -33.7 | -178.2 | -65.6 | 178.5 | 0 | 0 | 0 | 112.3 | F123 I139 V141 R146 A147 Q148 L153 L154 F224 P253 F291 | F123-L150 HydrophobicContact CE1-CD2 4.16Å; F123-L150 HydrophobicContact CE2-CD2 4.32Å; F123-L150 HydrophobicContact CZ-CD2 4.05Å; I139-L150 HydrophobicContact CG2-CD1 4.04Å; V141-L150 HydrophobicContact CG1-CD1 4.22Å; R146-L150 WeakPolarHBondContact O-CG 3.3Å; R146-L150 PolarHBondContact O-N 3.09Å; R146-L150 VanDerWaalsContact O-N 3.08Å; A147-L150 PolarHBondContact O-N 3.19Å; Q148-L150 PolarHBondContact O-N 3.34Å; L150-L153 HydrophobicContact CD2-CD2 4.47Å; L150-L153 PolarHBondContact O-N 2.68Å; L150-L154 PolarHBondContact O-N 3.22Å; L150-F224 HydrophobicContact CB-CE1 3.57Å; L150-F224 HydrophobicContact CB-CZ 3.88Å; L150-F224 HydrophobicContact CD1-CE1 4.13Å; L150-P253 HydrophobicContact CD1-CB 3.87Å; L150-P253 HydrophobicContact CD1-CG 4.36Å; L150-F291 HydrophobicContact CD2-CB 4.42Å; L150-F291 HydrophobicContact CD2-CD1 3.79Å; L150-F291 HydrophobicContact CD2-CD2 4.16Å; L150-F291 HydrophobicContact CD2-CE1 4.02Å; L150-F291 HydrophobicContact CD2-CE2 4.37Å; L150-F291 HydrophobicContact CD2-CG 3.86Å; L150-F291 HydrophobicContact CD2-CZ 4.31Å |
| 151 | C | 92.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.5 | -48 | 173.3 | -73 | 0 | 0 | 0 | 0 | 111.7 | A147 Q148 L153 L154 E155 F169 F204 I207 | A147-C151 WeakPolarHBondContact O-CB 3.48Å; A147-C151 PolarHBondContact O-N 3.3Å; A147-C151 PolarHBondContact O-SG 3.38Å; Q148-C151 PolarHBondContact O-N 3.13Å; C151-L153 VanDerWaalsContact C-N 3.26Å; C151-L153 PolarHBondContact O-N 3.09Å; C151-L154 PolarHBondContact O-N 2.88Å; C151-E155 VanDerWaalsContact O-CB 3.24Å; C151-E155 WeakPolarHBondContact O-CB 3.08Å; C151-E155 PolarHBondContact O-N 2.78Å; C151-F169 WeakPolarHBondContact SG-CD2 3.29Å; C151-F169 WeakPolarHBondContact SG-CE2 3.5Å; C151-F204 HydrophobicContact CB-CD1 4.39Å; C151-F204 HydrophobicContact CB-CE1 3.73Å; C151-F204 HydrophobicContact CB-CE2 3.96Å; C151-F204 HydrophobicContact CB-CZ 3.48Å; C151-F204 VanDerWaalsContact CB-CZ 3.48Å; C151-I207 HydrophobicContact CB-CD1 3.6Å |
| 152 | I | 92.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 176.8 | -70 | 165.2 | 0 | 0 | 0 | 110.3 | R87 H88 Q148 E149 T156 M201 F202 F204 | R87-I152 HydrophobicContact CB-CG2 4.24Å; H88-I152 HydrophobicContact CB-CD1 3.84Å; Q148-I152 VanDerWaalsContact O-CG1 3.31Å; Q148-I152 WeakPolarHBondContact O-CG1 3.48Å; Q148-I152 PolarHBondContact O-N 3.46Å; E149-I152 PolarHBondContact O-N 3.15Å; I152-T156 VanDerWaalsContact O-CG2 3.31Å; I152-T156 WeakPolarHBondContact O-CG2 3.37Å; I152-T156 PolarHBondContact O-N 3.46Å; I152-T156 VanDerWaalsContact O-N 3.14Å; I152-T156 PolarHBondContact O-OG1 3.06Å; I152-T156 VanDerWaalsContact O-OG1 3.14Å; I152-M201 HydrophobicContact CG2-CE 3.61Å; I152-F202 HydrophobicContact CD1-CD1 4.36Å; I152-F202 HydrophobicContact CD1-CE1 3.92Å; I152-F204 HydrophobicContact CG1-CE1 3.91Å; I152-F204 HydrophobicContact CG1-CZ 4.32Å |
| 153 | L | 94.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -51 | 177.8 | -178.9 | 62.4 | 0 | 0 | 0 | 111.8 | E120 F123 L124 E149 L150 C151 T156 F157 | E120-L153 HydrophobicContact CB-CD1 4.19Å; E120-L153 HydrophobicContact CB-CD2 4.11Å; E120-L153 HydrophobicContact CG-CD1 4.14Å; E120-L153 HydrophobicContact CG-CD2 3.89Å; F123-L153 HydrophobicContact CD1-CD2 3.59Å; F123-L153 HydrophobicContact CD1-CG 4.45Å; F123-L153 HydrophobicContact CE1-CD2 3.97Å; L124-L153 HydrophobicContact CD1-CD1 4.02Å; L124-L153 HydrophobicContact CD1-CG 4.43Å; L124-L153 HydrophobicContact CD2-CG 4.08Å; L124-L153 HydrophobicContact CG-CD1 4.42Å; L124-L153 HydrophobicContact CG-CG 4.32Å; E149-L153 PolarHBondContact O-N 3.43Å; L150-L153 HydrophobicContact CD2-CD2 4.47Å; L150-L153 PolarHBondContact O-N 2.68Å; C151-L153 VanDerWaalsContact C-N 3.26Å; C151-L153 PolarHBondContact O-N 3.09Å; L153-T156 PolarHBondContact O-OG1 3.33Å; L153-F157 PolarHBondContact O-N 2.85Å; L153-F157 VanDerWaalsContact O-N 3.17Å |
| 154 | L | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.9 | -42.4 | 179.6 | -71.3 | -175.5 | 0 | 0 | 0 | 112.6 | F123 L124 V127 I139 L150 C151 T156 F157 W158 I167 V222 F224 | F123-L154 HydrophobicContact CD1-CD2 4.43Å; F123-L154 HydrophobicContact CE1-CD1 4.42Å; F123-L154 HydrophobicContact CE1-CD2 3.53Å; F123-L154 HydrophobicContact CE1-CG 3.83Å; F123-L154 HydrophobicContact CZ-CD1 4.29Å; F123-L154 HydrophobicContact CZ-CD2 4.09Å; F123-L154 HydrophobicContact CZ-CG 4.19Å; L124-L154 HydrophobicContact CD2-CD2 3.79Å; V127-L154 HydrophobicContact CG1-CD2 4.13Å; I139-L154 HydrophobicContact CD1-CD1 4.31Å; L150-L154 PolarHBondContact O-N 3.22Å; C151-L154 PolarHBondContact O-N 2.88Å; L154-T156 VanDerWaalsContact C-N 3.31Å; L154-T156 PolarHBondContact O-N 3.03Å; L154-F157 PolarHBondContact O-N 2.94Å; L154-F157 VanDerWaalsContact O-N 3.09Å; L154-W158 HydrophobicContact CB-CE3 4.3Å; L154-W158 HydrophobicContact CB-CZ3 4.44Å; L154-W158 HydrophobicContact CD2-CE3 4.24Å; L154-W158 HydrophobicContact CD2-CH2 4.37Å; L154-W158 HydrophobicContact CD2-CZ3 3.62Å; L154-W158 HydrophobicContact CG-CZ3 4.49Å; L154-W158 WeakPolarHBondContact O-CB 3.43Å; L154-W158 PolarHBondContact O-N 2.87Å; L154-I167 HydrophobicContact CB-CD1 4.05Å; L154-I167 HydrophobicContact CD1-CD1 4.48Å; L154-V222 HydrophobicContact CD1-CG1 3.95Å; L154-F224 HydrophobicContact CD1-CE2 3.61Å; L154-F224 HydrophobicContact CD1-CZ 3.43Å; L154-F224 VanDerWaalsContact CD1-CZ 3.43Å; L154-F224 HydrophobicContact CG-CZ 4.29Å |
| 155 | E | 92.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.028 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.1 | -46.6 | 177.9 | 179.3 | 69.7 | -162.9 | 0 | 0 | 111 | C151 F157 W158 E159 R199 F204 K205 H206 I207 | C151-E155 VanDerWaalsContact O-CB 3.24Å; C151-E155 WeakPolarHBondContact O-CB 3.08Å; C151-E155 PolarHBondContact O-N 2.78Å; E155-F157 VanDerWaalsContact C-N 3.32Å; E155-F157 PolarHBondContact O-N 2.81Å; E155-W158 PolarHBondContact O-N 2.9Å; E155-E159 PolarHBondContact O-N 3.24Å; E155-R199 IonicContact OE1-NH2 3.18Å; E155-F204 HydrophobicContact CB-CD1 4.05Å; E155-F204 HydrophobicContact CG-CD1 4.08Å; E155-K205 WeakPolarHBondContact OE1-CB 3.49Å; E155-K205 PolarHBondContact OE1-N 3.08Å; E155-K205 PolarHBondContact OE2-N 3.36Å; E155-H206 VanDerWaalsContact CD-ND1 3.34Å; E155-H206 IonicContact OE1-CE1 3.91Å; E155-H206 IonicContact OE1-CG 3.51Å; E155-H206 PolarHBondContact OE1-N 2.79Å; E155-H206 IonicContact OE1-ND1 3.99Å; E155-H206 PolarHBondContact OE1-ND1 2.82Å; E155-H206 WeakPolarHBondContact OE2-CB 3Å; E155-H206 IonicContact OE2-CG 3.71Å; E155-H206 PolarHBondContact OE2-N 3.35Å; E155-H206 IonicContact OE2-ND1 3.6Å; E155-H206 PolarHBondContact OE2-ND1 3.3Å; E155-I207 HydrophobicContact CB-CD1 4.49Å |
| 156 | T | 92.1 | Very high | 93.1 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 31% | 0.307 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.7 | -32.8 | 178.1 | 59 | 0 | 0 | 0 | 0 | 113.1 | I152 L153 L154 R160 M201 | I152-T156 VanDerWaalsContact O-CG2 3.31Å; I152-T156 WeakPolarHBondContact O-CG2 3.37Å; I152-T156 PolarHBondContact O-N 3.46Å; I152-T156 VanDerWaalsContact O-N 3.14Å; I152-T156 PolarHBondContact O-OG1 3.06Å; I152-T156 VanDerWaalsContact O-OG1 3.14Å; L153-T156 PolarHBondContact O-OG1 3.33Å; L154-T156 VanDerWaalsContact C-N 3.31Å; L154-T156 PolarHBondContact O-N 3.03Å; T156-R160 WeakPolarHBondContact O-CB 3.35Å; T156-R160 PolarHBondContact O-N 3.48Å; T156-M201 HydrophobicContact CG2-CE 4.43Å |
| 157 | F | 95.2 | Very high | 93.5 | Very high | 35 Ų | 35 | 43.6 Ų | 43.6 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.4 | -41.2 | 176.4 | -177 | -105.7 | 0 | 0 | 0 | 111.9 | L124 H128 L153 L154 E155 R160 M161 L163 | L124-F157 HydrophobicContact CB-CD2 4.31Å; L124-F157 HydrophobicContact CB-CE2 4.26Å; L124-F157 HydrophobicContact CB-CZ 4.43Å; L124-F157 HydrophobicContact CD1-CB 4.17Å; L124-F157 HydrophobicContact CD1-CD2 3.72Å; L124-F157 HydrophobicContact CD1-CE2 4.34Å; L124-F157 HydrophobicContact CD1-CG 4.06Å; L124-F157 HydrophobicContact CD2-CB 3.6Å; L124-F157 HydrophobicContact CD2-CD1 3.91Å; L124-F157 HydrophobicContact CD2-CD2 4.11Å; L124-F157 HydrophobicContact CD2-CG 3.61Å; L124-F157 HydrophobicContact CG-CB 4.49Å; L124-F157 HydrophobicContact CG-CD2 4.26Å; L124-F157 HydrophobicContact CG-CG 4.27Å; H128-F157 HydrophobicContact CB-CE1 4.15Å; H128-F157 HydrophobicContact CB-CZ 4.27Å; L153-F157 PolarHBondContact O-N 2.85Å; L153-F157 VanDerWaalsContact O-N 3.17Å; L154-F157 PolarHBondContact O-N 2.94Å; L154-F157 VanDerWaalsContact O-N 3.09Å; E155-F157 VanDerWaalsContact C-N 3.32Å; E155-F157 PolarHBondContact O-N 2.81Å; F157-R160 PolarHBondContact O-N 2.8Å; F157-M161 HydrophobicContact CD1-CG 4.41Å; F157-M161 HydrophobicContact CD2-CG 3.99Å; F157-M161 HydrophobicContact CE1-CG 4.08Å; F157-M161 HydrophobicContact CE2-CG 3.63Å; F157-M161 HydrophobicContact CE2-SD 4.36Å; F157-M161 HydrophobicContact CG-CG 4.38Å; F157-M161 HydrophobicContact CZ-CG 3.69Å; F157-M161 WeakPolarHBondContact O-CB 3.36Å; F157-M161 WeakPolarHBondContact O-CG 3.46Å; F157-M161 PolarHBondContact O-N 3.1Å; F157-L163 HydrophobicContact CD1-CD1 4.09Å; F157-L163 HydrophobicContact CE1-CD1 3.82Å |
| 158 | W | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 177.1 | -104.4 | -117.1 | 0 | 0 | 0 | 111.9 | V127 L154 E155 R160 M161 N162 L163 V165 I167 H206 V222 | V127-W158 HydrophobicContact CG1-CH2 3.75Å; V127-W158 HydrophobicContact CG1-CZ3 4.17Å; L154-W158 HydrophobicContact CB-CE3 4.3Å; L154-W158 HydrophobicContact CB-CZ3 4.44Å; L154-W158 HydrophobicContact CD2-CE3 4.24Å; L154-W158 HydrophobicContact CD2-CH2 4.37Å; L154-W158 HydrophobicContact CD2-CZ3 3.62Å; L154-W158 HydrophobicContact CG-CZ3 4.49Å; L154-W158 WeakPolarHBondContact O-CB 3.43Å; L154-W158 PolarHBondContact O-N 2.87Å; E155-W158 PolarHBondContact O-N 2.9Å; W158-R160 VanDerWaalsContact C-N 3.33Å; W158-R160 PolarHBondContact O-N 3.27Å; W158-M161 PolarHBondContact O-N 3.38Å; W158-N162 WeakPolarHBondContact O-CA 3.37Å; W158-N162 PolarHBondContact O-N 3.16Å; W158-L163 HydrophobicContact CD2-CB 4.13Å; W158-L163 HydrophobicContact CD2-CD1 3.93Å; W158-L163 HydrophobicContact CE3-CD1 3.97Å; W158-L163 HydrophobicContact CG-CB 3.99Å; W158-L163 HydrophobicContact CG-CD1 4.49Å; W158-L163 HydrophobicContact CH2-CD1 4.29Å; W158-L163 HydrophobicContact CZ2-CD1 4.28Å; W158-L163 HydrophobicContact CZ3-CD1 4.12Å; W158-L163 PolarHBondContact O-N 3.11Å; W158-V165 HydrophobicContact CZ2-CB 4.29Å; W158-V165 PolarHBondContact NE1-O 3.04Å; W158-I167 HydrophobicContact CD2-CD1 3.39Å; W158-I167 HydrophobicContact CD2-CG1 4.2Å; W158-I167 HydrophobicContact CE3-CD1 3.86Å; W158-I167 HydrophobicContact CG-CD1 3.7Å; W158-I167 HydrophobicContact CH2-CD1 4.31Å; W158-I167 HydrophobicContact CH2-CG1 4.48Å; W158-I167 HydrophobicContact CZ2-CD1 3.86Å; W158-I167 HydrophobicContact CZ2-CG1 3.79Å; W158-I167 HydrophobicContact CZ3-CD1 4.32Å; W158-H206 HydrophobicContact CB-CB 4.38Å; W158-V222 HydrophobicContact CH2-CG2 4.01Å; W158-V222 HydrophobicContact CZ2-CG2 4.09Å |
| 159 | E | 92.9 | Very high | 93.6 | Very high | 75 Ų | 75 | 45.6 Ų | 45.6 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 177.6 | -169.2 | 167.4 | -145.5 | 0 | 0 | 111.4 | E155 R199 K205 | E155-E159 PolarHBondContact O-N 3.24Å; E159-R199 IonicContact OE1-CZ 2.92Å; E159-R199 IonicContact OE1-NH1 3.19Å; E159-R199 PolarHBondContact OE1-NH1 3.4Å; E159-R199 IonicContact OE1-NH2 3.11Å; E159-R199 IonicContact OE2-CZ 2.86Å; E159-R199 VanDerWaalsContact OE2-CZ 3.23Å; E159-R199 IonicContact OE2-NH1 2.67Å; E159-R199 PolarHBondContact OE2-NH1 3.45Å; E159-R199 IonicContact OE2-NH2 2.63Å; E159-R199 PolarHBondContact OE2-NH2 3.18Å; E159-K205 IonicContact OE1-NZ 2.75Å; E159-K205 PolarHBondContact OE1-NZ 3.43Å |
| 160 | R | 94.6 | Very high | 93.2 | Very high | 217 Ų | 217 | 45.5 Ų | 45.5 | 82% | 0.819 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -71 | -39.8 | 179.4 | -176 | 178.4 | 179.1 | -173.8 | -0.1 | 113.4 | T156 F157 W158 | T156-R160 WeakPolarHBondContact O-CB 3.35Å; T156-R160 PolarHBondContact O-N 3.48Å; F157-R160 PolarHBondContact O-N 2.8Å; W158-R160 VanDerWaalsContact C-N 3.33Å; W158-R160 PolarHBondContact O-N 3.27Å |
| 161 | M | 94.6 | Very high | 92.4 | Very high | 92 Ų | 92 | 48.6 Ų | 48.6 | 45% | 0.453 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -91.7 | -3.3 | -177.3 | -65.9 | -64 | -69 | 0 | 0 | 112.7 | F157 W158 L163 | F157-M161 HydrophobicContact CD1-CG 4.41Å; F157-M161 HydrophobicContact CD2-CG 3.99Å; F157-M161 HydrophobicContact CE1-CG 4.08Å; F157-M161 HydrophobicContact CE2-CG 3.63Å; F157-M161 HydrophobicContact CE2-SD 4.36Å; F157-M161 HydrophobicContact CG-CG 4.38Å; F157-M161 HydrophobicContact CZ-CG 3.69Å; F157-M161 WeakPolarHBondContact O-CB 3.36Å; F157-M161 WeakPolarHBondContact O-CG 3.46Å; F157-M161 PolarHBondContact O-N 3.1Å; W158-M161 PolarHBondContact O-N 3.38Å; M161-L163 VanDerWaalsContact C-N 3.28Å; M161-L163 HydrophobicContact CB-CD1 4.06Å; M161-L163 HydrophobicContact CB-CD2 4.25Å; M161-L163 HydrophobicContact CB-CG 3.73Å; M161-L163 PolarHBondContact O-N 3.16Å |
| 162 | N | 93.8 | Very high | 91.7 | Very high | 127 Ų | 127 | 50.3 Ų | 50.3 | 68% | 0.679 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 42.9 | -176.6 | -165.3 | 34.9 | 0 | 0 | 0 | 113.1 | W158 | W158-N162 WeakPolarHBondContact O-CA 3.37Å; W158-N162 PolarHBondContact O-N 3.16Å |
| 163 | L | 94.1 | Very high | 90.9 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | trans | -79.2 | 136.4 | -178.1 | -62.5 | 174.1 | 0 | 0 | 0 | 111 | F157 W158 M161 | F157-L163 HydrophobicContact CD1-CD1 4.09Å; F157-L163 HydrophobicContact CE1-CD1 3.82Å; W158-L163 HydrophobicContact CD2-CB 4.13Å; W158-L163 HydrophobicContact CD2-CD1 3.93Å; W158-L163 HydrophobicContact CE3-CD1 3.97Å; W158-L163 HydrophobicContact CG-CB 3.99Å; W158-L163 HydrophobicContact CG-CD1 4.49Å; W158-L163 HydrophobicContact CH2-CD1 4.29Å; W158-L163 HydrophobicContact CZ2-CD1 4.28Å; W158-L163 HydrophobicContact CZ3-CD1 4.12Å; W158-L163 PolarHBondContact O-N 3.11Å; M161-L163 VanDerWaalsContact C-N 3.28Å; M161-L163 HydrophobicContact CB-CD1 4.06Å; M161-L163 HydrophobicContact CB-CD2 4.25Å; M161-L163 HydrophobicContact CB-CG 3.73Å; M161-L163 PolarHBondContact O-N 3.16Å | ||
| 164 | K | 93.4 | Very high | 89.8 | Confident | 193 Ų | 193 | 56.3 Ų | 56.3 | 84% | 0.839 | 28% | 0.283 | S | S | * | . | trans | -100.1 | -4.8 | 179.4 | -61 | -174.3 | -178.9 | -179.6 | 0 | 114.1 | ||||
| 165 | V | 95.5 | Very high | 89.1 | Confident | 29 Ų | 29 | 62.7 Ų | 62.7 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -62 | 129.2 | 179.9 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | V131 W158 I167 P220 | V131-V165 HydrophobicContact CB-CG1 4.07Å; V131-V165 HydrophobicContact CB-CG2 4.2Å; V131-V165 HydrophobicContact CG1-CG1 3.98Å; V131-V165 HydrophobicContact CG2-CG2 4.29Å; W158-V165 HydrophobicContact CZ2-CB 4.29Å; W158-V165 PolarHBondContact NE1-O 3.04Å; V165-I167 PolarHBondContact O-N 2.85Å; V165-P220 HydrophobicContact CG1-CB 4.06Å; V165-P220 HydrophobicContact CG1-CG 4.25Å; V165-P220 HydrophobicContact CG2-CG 4.2Å |
| 166 | P | 94.3 | Very high | 88.6 | Confident | 45 Ų | 45 | 69 Ų | 69 | 29% | 0.292 | 34% | 0.34 | S | S | . | . | trans | -69.8 | 134.8 | -176.8 | 28.6 | -35.2 | 0 | 0 | 0 | 111.2 | Y168 M221 V222 | P166-Y168 HydrophobicContact CB-CD2 4.4Å; P166-Y168 HydrophobicContact CB-CE1 4.39Å; P166-Y168 HydrophobicContact CB-CE2 3.63Å; P166-Y168 HydrophobicContact CG-CE2 3.84Å; P166-M221 HydrophobicContact CG-CB 4.11Å; P166-M221 WeakPolarHBondContact O-CA 3.48Å; P166-V222 PolarHBondContact O-N 2.83Å; P166-V222 VanDerWaalsContact O-N 3.09Å | ||
| 167 | I | 95.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.4 | 167.1 | -54.9 | 166.7 | 0 | 0 | 0 | 107.4 | L154 W158 V165 I207 K208 V222 F224 | L154-I167 HydrophobicContact CB-CD1 4.05Å; L154-I167 HydrophobicContact CD1-CD1 4.48Å; W158-I167 HydrophobicContact CD2-CD1 3.39Å; W158-I167 HydrophobicContact CD2-CG1 4.2Å; W158-I167 HydrophobicContact CE3-CD1 3.86Å; W158-I167 HydrophobicContact CG-CD1 3.7Å; W158-I167 HydrophobicContact CH2-CD1 4.31Å; W158-I167 HydrophobicContact CH2-CG1 4.48Å; W158-I167 HydrophobicContact CZ2-CD1 3.86Å; W158-I167 HydrophobicContact CZ2-CG1 3.79Å; W158-I167 HydrophobicContact CZ3-CD1 4.32Å; V165-I167 PolarHBondContact O-N 2.85Å; I167-I207 HydrophobicContact CB-CG1 4.03Å; I167-I207 HydrophobicContact CD1-CG1 4.28Å; I167-I207 HydrophobicContact CG2-CB 4.38Å; I167-I207 HydrophobicContact CG2-CD1 4.33Å; I167-I207 HydrophobicContact CG2-CG1 3.84Å; I167-I207 HydrophobicContact CG2-CG2 4.1Å; I167-I207 WeakPolarHBondContact O-CA 3.38Å; I167-K208 PolarHBondContact O-N 2.9Å; I167-V222 CarbonylContact C-O 3.58Å; I167-V222 WeakPolarHBondContact CA-O 3.36Å; I167-V222 HydrophobicContact CG1-CB 4.23Å; I167-V222 HydrophobicContact CG2-CB 4.25Å; I167-V222 HydrophobicContact CG2-CG1 4.4Å; I167-F224 HydrophobicContact CG2-CD2 4.18Å; I167-F224 HydrophobicContact CG2-CE2 3.95Å |
| 168 | Y | 93.4 | Very high | 87.9 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 11% | 0.114 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.9 | 175 | -53.9 | -79.7 | 0 | 0 | 0 | 112.1 | P166 K208 F210 F214 M221 V222 V223 F224 | P166-Y168 HydrophobicContact CB-CD2 4.4Å; P166-Y168 HydrophobicContact CB-CE1 4.39Å; P166-Y168 HydrophobicContact CB-CE2 3.63Å; P166-Y168 HydrophobicContact CG-CE2 3.84Å; Y168-K208 CarbonylContact C-O 3.52Å; Y168-K208 VanDerWaalsContact CA-O 3.24Å; Y168-K208 WeakPolarHBondContact CA-O 3.35Å; Y168-K208 HydrophobicContact CD1-CB 4.12Å; Y168-K208 HydrophobicContact CE1-CB 4.38Å; Y168-F210 HydrophobicContact CD2-CD2 4.11Å; Y168-F210 AromaticContact CG-CD2 3.87Å; Y168-F210 HydrophobicContact CG-CD2 3.87Å; Y168-F214 HydrophobicContact CD1-CD2 4.03Å; Y168-F214 HydrophobicContact CD1-CE2 4.4Å; Y168-F214 AromaticContact CE1-CD2 3.63Å; Y168-F214 HydrophobicContact CE1-CD2 3.63Å; Y168-F214 AromaticContact CE1-CE2 3.89Å; Y168-F214 HydrophobicContact CE1-CE2 3.89Å; Y168-F214 AromaticContact CZ-CD2 3.93Å; Y168-M221 HydrophobicContact CD2-CB 4.32Å; Y168-M221 HydrophobicContact CE2-CB 4.15Å; Y168-M221 HydrophobicContact CE2-SD 4.38Å; Y168-V222 PolarHBondContact N-O 3.24Å; Y168-V223 HydrophobicContact CD2-CG2 4.06Å; Y168-V223 WeakPolarHBondContact O-CA 3.37Å; Y168-F224 PolarHBondContact O-N 3.33Å |
| 169 | F | 88.4 | Confident | 87.5 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.9 | 174.5 | -150.8 | -68.2 | 0 | 0 | 0 | 110 | V141 A147 C151 T171 T174 I207 K208 F210 F224 | V141-F169 HydrophobicContact CG2-CE2 4.46Å; V141-F169 HydrophobicContact CG2-CZ 3.83Å; A147-F169 HydrophobicContact CB-CE2 3.87Å; A147-F169 HydrophobicContact CB-CZ 3.47Å; A147-F169 VanDerWaalsContact CB-CZ 3.47Å; C151-F169 WeakPolarHBondContact SG-CD2 3.29Å; C151-F169 WeakPolarHBondContact SG-CE2 3.5Å; F169-T171 PolarHBondContact O-N 3.02Å; F169-T174 HydrophobicContact CD1-CG2 3.5Å; F169-T174 VanDerWaalsContact CD1-CG2 3.5Å; F169-T174 HydrophobicContact CE1-CG2 3.01Å; F169-T174 WeakPolarHBondContact CE1-OG1 3.38Å; F169-T174 HydrophobicContact CE2-CG2 4.19Å; F169-T174 HydrophobicContact CG-CG2 4.35Å; F169-T174 HydrophobicContact CZ-CG2 3.39Å; F169-I207 HydrophobicContact CB-CG2 3.84Å; F169-I207 HydrophobicContact CD2-CG2 4.48Å; F169-K208 PolarHBondContact N-O 3.1Å; F169-F210 WeakPolarHBondContact O-CB 3.17Å; F169-F210 PolarHBondContact O-N 3.03Å; F169-F224 HydrophobicContact CD1-CB 4.39Å; F169-F224 HydrophobicContact CD2-CB 3.37Å; F169-F224 AromaticContact CD2-CD2 3.65Å; F169-F224 HydrophobicContact CD2-CD2 3.65Å; F169-F224 AromaticContact CD2-CG 3.67Å; F169-F224 HydrophobicContact CD2-CG 3.67Å; F169-F224 HydrophobicContact CE1-CB 4.12Å; F169-F224 HydrophobicContact CE2-CB 3.17Å; F169-F224 HydrophobicContact CE2-CD1 4.03Å; F169-F224 AromaticContact CE2-CD2 3.86Å; F169-F224 HydrophobicContact CE2-CD2 3.86Å; F169-F224 AromaticContact CE2-CG 3.44Å; F169-F224 HydrophobicContact CE2-CG 3.44Å; F169-F224 VanDerWaalsContact CE2-CG 3.44Å; F169-F224 HydrophobicContact CG-CB 3.99Å; F169-F224 HydrophobicContact CZ-CB 3.56Å; F169-F224 HydrophobicContact CZ-CG 4.24Å |
| 170 | S | 83.3 | Confident | 87.3 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 3% | 0.028 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50 | 123.8 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | F224 T226 Q234 | S170-F224 WeakPolarHBondContact CB-O 3.31Å; S170-F224 PolarHBondContact N-O 2.99Å; S170-T226 PolarHBondContact OG-OG1 3.11Å; S170-Q234 PolarHBondContact OG-OE1 2.75Å |
| 171 | T | 76.1 | Confident | 87 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -69.1 | 156.5 | 179.3 | 52 | 0 | 0 | 0 | 0 | 112.3 | F169 A209 | F169-T171 PolarHBondContact O-N 3.02Å; T171-A209 HydrophobicContact CG2-CB 3.63Å |
| 172 | G | 78.1 | Confident | 86.7 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 112.5 | -114.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T174 E175 K176 | G172-T174 PolarHBondContact O-N 3.33Å; G172-E175 PolarHBondContact O-N 2.88Å; G172-K176 PolarHBondContact O-N 2.8Å |
| 173 | L | 75.4 | Confident | 86.5 | Confident | 129 Ų | 129 | 61.2 Ų | 61.2 | 68% | 0.675 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.4 | -33.2 | -174.3 | -75.6 | 172.3 | 0 | 0 | 0 | 113.4 | A143 K176 A177 | A143-L173 HydrophobicContact CB-CB 3.66Å; L173-K176 PolarHBondContact O-N 2.83Å; L173-A177 WeakPolarHBondContact O-CB 3.44Å; L173-A177 PolarHBondContact O-N 3.18Å |
| 174 | T | 72.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -78.9 | -30.4 | -175.6 | -46.4 | 0 | 0 | 0 | 0 | 113.4 | A143 A147 F169 G172 K176 A177 N178 | A143-T174 WeakPolarHBondContact CA-OG1 3.07Å; A143-T174 WeakPolarHBondContact CB-OG1 3.37Å; A143-T174 WeakPolarHBondContact O-CG2 2.79Å; A147-T174 HydrophobicContact CB-CG2 4.38Å; F169-T174 HydrophobicContact CD1-CG2 3.5Å; F169-T174 VanDerWaalsContact CD1-CG2 3.5Å; F169-T174 HydrophobicContact CE1-CG2 3.01Å; F169-T174 WeakPolarHBondContact CE1-OG1 3.38Å; F169-T174 HydrophobicContact CE2-CG2 4.19Å; F169-T174 HydrophobicContact CG-CG2 4.35Å; F169-T174 HydrophobicContact CZ-CG2 3.39Å; G172-T174 PolarHBondContact O-N 3.33Å; T174-K176 VanDerWaalsContact C-N 3.33Å; T174-A177 WeakPolarHBondContact O-CB 3.33Å; T174-A177 PolarHBondContact O-N 3.41Å; T174-N178 PolarHBondContact O-N 2.64Å |
| 175 | E | 78.3 | Confident | 86.1 | Confident | 135 Ų | 135 | 55.9 Ų | 55.9 | 63% | 0.631 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 171.4 | -174.7 | 177.8 | -169.3 | 0 | 0 | 110.4 | G172 A177 N178 H179 | G172-E175 PolarHBondContact O-N 2.88Å; E175-A177 VanDerWaalsContact C-N 3.35Å; E175-A177 PolarHBondContact O-N 3.04Å; E175-N178 PolarHBondContact O-N 2.88Å; E175-H179 PolarHBondContact O-N 2.8Å |
| 176 | K | 84.4 | Confident | 85.7 | Confident | 139 Ų | 139 | 58.4 Ų | 58.4 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61 | -42.6 | 171.2 | -66.1 | -174 | 179.3 | -175.9 | 0 | 111.8 | G172 L173 T174 N178 H179 Y180 | G172-K176 PolarHBondContact O-N 2.8Å; L173-K176 PolarHBondContact O-N 2.83Å; T174-K176 VanDerWaalsContact C-N 3.33Å; K176-N178 VanDerWaalsContact C-N 3.35Å; K176-N178 PolarHBondContact O-N 2.85Å; K176-H179 WeakPolarHBondContact O-CB 3.35Å; K176-H179 PolarHBondContact O-N 3.11Å; K176-Y180 WeakPolarHBondContact O-CD2 3.14Å; K176-Y180 PolarHBondContact O-N 3.39Å |
| 177 | A | 85.7 | Confident | 85.4 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58 | -47.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A143 L144 L173 T174 E175 H179 Y180 Y181 | A143-A177 WeakPolarHBondContact O-CB 3.47Å; L144-A177 HydrophobicContact CB-CB 4.42Å; L144-A177 HydrophobicContact CD1-CB 4.07Å; L173-A177 WeakPolarHBondContact O-CB 3.44Å; L173-A177 PolarHBondContact O-N 3.18Å; T174-A177 WeakPolarHBondContact O-CB 3.33Å; T174-A177 PolarHBondContact O-N 3.41Å; E175-A177 VanDerWaalsContact C-N 3.35Å; E175-A177 PolarHBondContact O-N 3.04Å; A177-H179 VanDerWaalsContact C-N 3.28Å; A177-H179 PolarHBondContact O-N 3.06Å; A177-Y180 PolarHBondContact O-N 2.87Å; A177-Y180 VanDerWaalsContact O-N 3.08Å; A177-Y181 VanDerWaalsContact O-CD2 3.26Å; A177-Y181 WeakPolarHBondContact O-CD2 3.32Å; A177-Y181 PolarHBondContact O-N 2.96Å |
| 178 | N | 85.2 | Confident | 85.2 | Confident | 26 Ų | 26 | 59.4 Ų | 59.4 | 14% | 0.139 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 177 | -71.5 | -9.8 | 0 | 0 | 0 | 111.9 | Q148 T174 E175 K176 Y181 K182 | Q148-N178 PolarHBondContact NE2-OD1 3.26Å; Q148-N178 VanDerWaalsContact NE2-OD1 3.14Å; T174-N178 PolarHBondContact O-N 2.64Å; E175-N178 PolarHBondContact O-N 2.88Å; K176-N178 VanDerWaalsContact C-N 3.35Å; K176-N178 PolarHBondContact O-N 2.85Å; N178-Y181 PolarHBondContact O-N 2.8Å; N178-K182 WeakPolarHBondContact O-CG 3.45Å; N178-K182 PolarHBondContact O-N 2.7Å; N178-K182 VanDerWaalsContact O-N 3.08Å |
| 179 | H | 86.9 | Confident | 85 | Confident | 106 Ų | 106 | 59.1 Ų | 59.1 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 172.9 | -175 | 75.5 | 0 | 0 | 0 | 111.8 | E175 K176 A177 Y181 K182 L183 | E175-H179 PolarHBondContact O-N 2.8Å; K176-H179 WeakPolarHBondContact O-CB 3.35Å; K176-H179 PolarHBondContact O-N 3.11Å; A177-H179 VanDerWaalsContact C-N 3.28Å; A177-H179 PolarHBondContact O-N 3.06Å; H179-Y181 PolarHBondContact O-N 3.18Å; H179-K182 WeakPolarHBondContact O-CB 3.42Å; H179-K182 PolarHBondContact O-N 3.48Å; H179-K182 VanDerWaalsContact O-N 3.11Å; H179-L183 PolarHBondContact O-N 2.6Å |
| 180 | Y | 88.6 | Confident | 85 | Confident | 125 Ų | 125 | 64.5 Ų | 64.5 | 49% | 0.49 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 175.4 | -71.6 | -60.6 | 0 | 0 | 0 | 113.3 | K176 A177 K182 L183 F184 | K176-Y180 WeakPolarHBondContact O-CD2 3.14Å; K176-Y180 PolarHBondContact O-N 3.39Å; A177-Y180 PolarHBondContact O-N 2.87Å; A177-Y180 VanDerWaalsContact O-N 3.08Å; Y180-K182 VanDerWaalsContact C-N 3.26Å; Y180-K182 PolarHBondContact O-N 2.99Å; Y180-L183 HydrophobicContact CD1-CD1 4.32Å; Y180-L183 PolarHBondContact O-N 2.77Å; Y180-F184 HydrophobicContact CD1-CD2 4.32Å; Y180-F184 AromaticContact CD1-CE2 3.88Å; Y180-F184 HydrophobicContact CD1-CE2 3.88Å; Y180-F184 WeakPolarHBondContact O-CB 3.12Å; Y180-F184 WeakPolarHBondContact O-CD2 3.35Å; Y180-F184 PolarHBondContact O-N 3Å |
| 181 | Y | 88.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 172.9 | -89 | -81.3 | 0 | 0 | 0 | 112.5 | L61 H88 L144 G145 Q148 A177 N178 H179 I185 F202 | L61-Y181 HydrophobicContact CB-CD1 4.31Å; L61-Y181 HydrophobicContact CB-CE1 3.61Å; L61-Y181 HydrophobicContact CB-CE2 4.34Å; L61-Y181 HydrophobicContact CD1-CD1 4.07Å; L61-Y181 HydrophobicContact CD1-CE1 3.91Å; L61-Y181 HydrophobicContact CD2-CD1 3.66Å; L61-Y181 HydrophobicContact CD2-CD2 4.22Å; L61-Y181 HydrophobicContact CD2-CE1 3.83Å; L61-Y181 HydrophobicContact CD2-CE2 4.39Å; L61-Y181 HydrophobicContact CD2-CG 3.87Å; L61-Y181 HydrophobicContact CG-CD1 4.25Å; L61-Y181 HydrophobicContact CG-CE1 4Å; H88-Y181 AromaticContact CD2-CE1 3.47Å; H88-Y181 VanDerWaalsContact CD2-CE1 3.47Å; H88-Y181 WeakPolarHBondContact CD2-CE1 3.36Å; H88-Y181 AromaticContact CD2-CZ 3.88Å; H88-Y181 PolarHBondContact NE2-OH 2.81Å; L144-Y181 HydrophobicContact CD1-CE2 4.07Å; L144-Y181 HydrophobicContact CG-CE2 4.01Å; G145-Y181 WeakPolarHBondContact CA-OH 3.47Å; G145-Y181 PolarHBondContact N-OH 2.76Å; Q148-Y181 HydrophobicContact CB-CE2 4.39Å; Q148-Y181 VanDerWaalsContact CD-CE2 3.44Å; Q148-Y181 HydrophobicContact CG-CD2 3.74Å; Q148-Y181 HydrophobicContact CG-CE2 3.6Å; Q148-Y181 HydrophobicContact CG-CG 4.33Å; A177-Y181 VanDerWaalsContact O-CD2 3.26Å; A177-Y181 WeakPolarHBondContact O-CD2 3.32Å; A177-Y181 PolarHBondContact O-N 2.96Å; N178-Y181 PolarHBondContact O-N 2.8Å; H179-Y181 PolarHBondContact O-N 3.18Å; Y181-I185 VanDerWaalsContact O-CD1 3.26Å; Y181-I185 WeakPolarHBondContact O-CD1 3.29Å; Y181-I185 WeakPolarHBondContact O-CG1 3.33Å; Y181-I185 PolarHBondContact O-N 2.94Å; Y181-F202 HydrophobicContact CD1-CD1 4.31Å; Y181-F202 AromaticContact CD1-CE1 3.55Å; Y181-F202 HydrophobicContact CD1-CE1 3.55Å; Y181-F202 HydrophobicContact CD1-CE2 4.22Å; Y181-F202 AromaticContact CD1-CZ 3.5Å; Y181-F202 HydrophobicContact CD1-CZ 3.5Å; Y181-F202 VanDerWaalsContact CD1-CZ 3.5Å; Y181-F202 HydrophobicContact CE1-CE1 4.23Å; Y181-F202 HydrophobicContact CE1-CZ 4.29Å; Y181-F202 HydrophobicContact CG-CD1 4.15Å; Y181-F202 AromaticContact CG-CE1 3.85Å; Y181-F202 HydrophobicContact CG-CE1 3.85Å; Y181-F202 HydrophobicContact CG-CZ 4.1Å |
| 182 | K | 88.3 | Confident | 85.8 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.8 | -35.9 | 175.2 | -65.1 | 179.7 | -179 | -172.9 | 0 | 112.5 | N178 H179 Y180 I185 N200 F202 | N178-K182 WeakPolarHBondContact O-CG 3.45Å; N178-K182 PolarHBondContact O-N 2.7Å; N178-K182 VanDerWaalsContact O-N 3.08Å; H179-K182 WeakPolarHBondContact O-CB 3.42Å; H179-K182 PolarHBondContact O-N 3.48Å; H179-K182 VanDerWaalsContact O-N 3.11Å; Y180-K182 VanDerWaalsContact C-N 3.26Å; Y180-K182 PolarHBondContact O-N 2.99Å; K182-I185 WeakPolarHBondContact O-CG1 3.26Å; K182-N200 WeakPolarHBondContact CG-ND2 3.45Å; K182-F202 WeakPolarHBondContact CE-O 3.44Å; K182-F202 HydrophobicContact CG-CB 4.16Å |
| 183 | L | 89.3 | Confident | 86.3 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -73.2 | -39.9 | 177.3 | -66.8 | 177.4 | 0 | 0 | 0 | 112.2 | H179 Y180 | H179-L183 PolarHBondContact O-N 2.6Å; Y180-L183 HydrophobicContact CD1-CD1 4.32Å; Y180-L183 PolarHBondContact O-N 2.77Å |
| 184 | F | 89.9 | Confident | 86.9 | Confident | 98 Ų | 98 | 72.7 Ų | 72.7 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 35.8 | -173.7 | -64.2 | -66.6 | 0 | 0 | 0 | 113.2 | L61 Y180 W187 | L61-F184 HydrophobicContact CD2-CB 3.98Å; Y180-F184 HydrophobicContact CD1-CD2 4.32Å; Y180-F184 AromaticContact CD1-CE2 3.88Å; Y180-F184 HydrophobicContact CD1-CE2 3.88Å; Y180-F184 WeakPolarHBondContact O-CB 3.12Å; Y180-F184 WeakPolarHBondContact O-CD2 3.35Å; Y180-F184 PolarHBondContact O-N 3Å; F184-W187 AromaticContact CD1-CD1 3.99Å; F184-W187 WeakPolarHBondContact O-CB 3.19Å; F184-W187 PolarHBondContact O-N 2.82Å |
| 185 | I | 89.3 | Confident | 87.5 | Confident | 13 Ų | 13 | 74.7 Ų | 74.7 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -50.5 | -36.3 | 172.2 | -65.8 | -70.4 | 0 | 0 | 0 | 113.4 | Y181 K182 W187 T188 I192 R193 F196 F202 | Y181-I185 VanDerWaalsContact O-CD1 3.26Å; Y181-I185 WeakPolarHBondContact O-CD1 3.29Å; Y181-I185 WeakPolarHBondContact O-CG1 3.33Å; Y181-I185 PolarHBondContact O-N 2.94Å; K182-I185 WeakPolarHBondContact O-CG1 3.26Å; I185-W187 PolarHBondContact O-N 3.14Å; I185-T188 HydrophobicContact CD1-CG2 4.48Å; I185-T188 WeakPolarHBondContact O-CB 3.42Å; I185-T188 PolarHBondContact O-N 3.37Å; I185-T188 PolarHBondContact O-OG1 2.93Å; I185-I192 HydrophobicContact CD1-CG2 3.99Å; I185-R193 HydrophobicContact CG2-CG 4.13Å; I185-R193 WeakPolarHBondContact O-CG 3.15Å; I185-F196 HydrophobicContact CD1-CD2 3.6Å; I185-F196 HydrophobicContact CD1-CE2 3.82Å; I185-F196 HydrophobicContact CD1-CG 4.33Å; I185-F196 HydrophobicContact CG1-CD2 3.68Å; I185-F196 HydrophobicContact CG1-CE1 4.48Å; I185-F196 HydrophobicContact CG1-CE2 3.6Å; I185-F196 HydrophobicContact CG1-CG 4.16Å; I185-F196 HydrophobicContact CG1-CZ 4.03Å; I185-F196 HydrophobicContact CG2-CB 4.19Å; I185-F196 HydrophobicContact CG2-CD1 4.43Å; I185-F196 HydrophobicContact CG2-CD2 4.38Å; I185-F196 HydrophobicContact CG2-CG 4.08Å; I185-F202 HydrophobicContact CD1-CD2 3.81Å; I185-F202 HydrophobicContact CD1-CE2 3.59Å |
| 186 | P | 87.5 | Confident | 87.8 | Confident | 83 Ų | 83 | 71.9 Ų | 71.9 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -56.7 | -21.7 | 175.7 | -28.2 | 37.2 | 0 | 0 | 0 | 114.7 | R193 | P186-R193 PolarHBondContact O-NE 3.02Å; P186-R193 VanDerWaalsContact O-NE 3.14Å; P186-R193 PolarHBondContact O-NH1 3.29Å; P186-R193 PolarHBondContact O-NH2 3.34Å |
| 187 | W | 87.4 | Confident | 87.6 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 25% | 0.25 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -89 | -2.5 | 178.5 | -65.8 | 91.5 | 0 | 0 | 0 | 113.9 | F39 Y56 L61 F184 I185 | F39-W187 AromaticContact CD1-CH2 3.65Å; F39-W187 HydrophobicContact CD1-CH2 3.65Å; F39-W187 HydrophobicContact CD1-CZ3 4.37Å; F39-W187 AromaticContact CD2-CH2 3.98Å; F39-W187 HydrophobicContact CD2-CH2 3.98Å; F39-W187 HydrophobicContact CD2-CZ3 4.12Å; F39-W187 AromaticContact CE1-CH2 3.24Å; F39-W187 HydrophobicContact CE1-CH2 3.24Å; F39-W187 HydrophobicContact CE1-CZ2 4.28Å; F39-W187 AromaticContact CE1-CZ3 3.65Å; F39-W187 HydrophobicContact CE1-CZ3 3.65Å; F39-W187 AromaticContact CE2-CH2 3.6Å; F39-W187 HydrophobicContact CE2-CH2 3.6Å; F39-W187 AromaticContact CE2-CZ3 3.35Å; F39-W187 HydrophobicContact CE2-CZ3 3.35Å; F39-W187 HydrophobicContact CG-CH2 4.02Å; F39-W187 HydrophobicContact CZ-CE3 4.3Å; F39-W187 AromaticContact CZ-CH2 3.22Å; F39-W187 HydrophobicContact CZ-CH2 3.22Å; F39-W187 AromaticContact CZ-CZ3 3.08Å; F39-W187 HydrophobicContact CZ-CZ3 3.08Å; Y56-W187 WeakPolarHBondContact CE2-O 3.42Å; Y56-W187 PolarHBondContact OH-O 2.89Å; Y56-W187 VanDerWaalsContact OH-O 3.13Å; L61-W187 HydrophobicContact CD1-CB 3.71Å; L61-W187 HydrophobicContact CG-CB 4.47Å; F184-W187 AromaticContact CD1-CD1 3.99Å; F184-W187 WeakPolarHBondContact O-CB 3.19Å; F184-W187 PolarHBondContact O-N 2.82Å; I185-W187 PolarHBondContact O-N 3.14Å |
| 188 | T | 90.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -86.2 | 175.9 | 175.7 | 68 | 0 | 0 | 0 | 0 | 111.5 | L61 H88 I185 I192 R193 F202 | L61-T188 HydrophobicContact CD1-CG2 4.03Å; H88-T188 WeakPolarHBondContact O-CA 3.34Å; H88-T188 WeakPolarHBondContact O-CB 3.39Å; I185-T188 HydrophobicContact CD1-CG2 4.48Å; I185-T188 WeakPolarHBondContact O-CB 3.42Å; I185-T188 PolarHBondContact O-N 3.37Å; I185-T188 PolarHBondContact O-OG1 2.93Å; T188-I192 HydrophobicContact CG2-CG2 4.26Å; T188-I192 WeakPolarHBondContact OG1-CG2 3.32Å; T188-R193 PolarHBondContact O-NE 2.81Å; T188-R193 PolarHBondContact O-NH2 3.09Å; T188-F202 HydrophobicContact CG2-CE2 4.28Å; T188-F202 HydrophobicContact CG2-CZ 4.25Å |
| 189 | N | 89.9 | Confident | 87.2 | Confident | 23 Ų | 23 | 82.1 Ų | 82.1 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | trans | -68.9 | 164.4 | 175.4 | 68.2 | 38.3 | 0 | 0 | 0 | 112.9 | D86 R87 H88 L89 K191 I192 R193 | D86-N189 PolarHBondContact O-ND2 2.9Å; R87-N189 PolarHBondContact O-ND2 3.33Å; H88-N189 PolarHBondContact O-N 3.38Å; H88-N189 VanDerWaalsContact O-N 3.07Å; L89-N189 PolarHBondContact O-ND2 3.1Å; N189-K191 PolarHBondContact O-N 2.85Å; N189-K191 WeakPolarHBondContact OD1-CB 3.22Å; N189-K191 PolarHBondContact OD1-N 2.87Å; N189-K191 VanDerWaalsContact OD1-N 3.11Å; N189-I192 PolarHBondContact O-N 3.35Å; N189-I192 WeakPolarHBondContact OD1-CG1 3.38Å; N189-I192 PolarHBondContact OD1-N 3.25Å; N189-R193 WeakPolarHBondContact O-CG 3.23Å; N189-R193 PolarHBondContact O-N 3.03Å | ||
| 190 | Q | 88.3 | Confident | 87 | Confident | 127 Ų | 127 | 78.3 Ų | 78.3 | 59% | 0.593 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.9 | -28.3 | -178.1 | -161.9 | -174.6 | 19.4 | 0 | 0 | 113.3 | K194 | Q190-K194 HydrophobicContact CG-CD 4.36Å; Q190-K194 WeakPolarHBondContact O-CG 3.34Å; Q190-K194 PolarHBondContact O-N 3.18Å; Q190-K194 VanDerWaalsContact O-N 3.09Å |
| 191 | K | 88.4 | Confident | 86.8 | Confident | 146 Ų | 146 | 74.2 Ų | 74.2 | 64% | 0.635 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66 | -49.9 | 178.9 | -175.4 | -179.5 | -179.8 | 178.3 | 0 | 110.8 | N189 K194 T195 | N189-K191 PolarHBondContact O-N 2.85Å; N189-K191 WeakPolarHBondContact OD1-CB 3.22Å; N189-K191 PolarHBondContact OD1-N 2.87Å; N189-K191 VanDerWaalsContact OD1-N 3.11Å; K191-K194 PolarHBondContact O-N 3.18Å; K191-T195 PolarHBondContact O-N 2.68Å; K191-T195 PolarHBondContact O-OG1 2.92Å; K191-T195 VanDerWaalsContact O-OG1 3.13Å |
| 192 | I | 88.6 | Confident | 86.7 | Confident | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 176.9 | -63.7 | -58.9 | 0 | 0 | 0 | 110.6 | R87 I185 T188 N189 K194 T195 F196 M201 F202 | R87-I192 WeakPolarHBondContact O-CG1 3.43Å; I185-I192 HydrophobicContact CD1-CG2 3.99Å; T188-I192 HydrophobicContact CG2-CG2 4.26Å; T188-I192 WeakPolarHBondContact OG1-CG2 3.32Å; N189-I192 PolarHBondContact O-N 3.35Å; N189-I192 WeakPolarHBondContact OD1-CG1 3.38Å; N189-I192 PolarHBondContact OD1-N 3.25Å; I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 3.29Å; I192-T195 PolarHBondContact O-N 2.86Å; I192-F196 VanDerWaalsContact O-CB 3.31Å; I192-F196 WeakPolarHBondContact O-CB 3.46Å; I192-F196 PolarHBondContact O-N 3.13Å; I192-M201 HydrophobicContact CD1-CB 3.76Å; I192-M201 HydrophobicContact CD1-CG 3.66Å; I192-F202 HydrophobicContact CG2-CE2 3.89Å; I192-F202 HydrophobicContact CG2-CZ 4.48Å |
| 193 | R | 87.9 | Confident | 86.6 | Confident | 121 Ų | 121 | 76.8 Ų | 76.8 | 46% | 0.457 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.8 | -42.3 | 178.2 | -65.1 | -177.9 | -142.3 | -175.6 | 2.2 | 112.7 | I185 P186 T188 N189 | I185-R193 HydrophobicContact CG2-CG 4.13Å; I185-R193 WeakPolarHBondContact O-CG 3.15Å; P186-R193 PolarHBondContact O-NE 3.02Å; P186-R193 VanDerWaalsContact O-NE 3.14Å; P186-R193 PolarHBondContact O-NH1 3.29Å; P186-R193 PolarHBondContact O-NH2 3.34Å; T188-R193 PolarHBondContact O-NE 2.81Å; T188-R193 PolarHBondContact O-NH2 3.09Å; N189-R193 WeakPolarHBondContact O-CG 3.23Å; N189-R193 PolarHBondContact O-N 3.03Å |
| 194 | K | 88.3 | Confident | 86.5 | Confident | 136 Ų | 136 | 73.5 Ų | 73.5 | 59% | 0.591 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70.5 | -44.3 | 178.8 | -74.3 | 177.2 | 176.9 | 179.2 | 0 | 112.4 | Q190 K191 I192 F196 | Q190-K194 HydrophobicContact CG-CD 4.36Å; Q190-K194 WeakPolarHBondContact O-CG 3.34Å; Q190-K194 PolarHBondContact O-N 3.18Å; Q190-K194 VanDerWaalsContact O-N 3.09Å; K191-K194 PolarHBondContact O-N 3.18Å; I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 3.29Å; K194-F196 VanDerWaalsContact C-N 3.33Å |
| 195 | T | 86.3 | Confident | 86.4 | Confident | 43 Ų | 43 | 75.1 Ų | 75.1 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -73.4 | -25.9 | -177.8 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | K191 I192 V197 Q198 R199 M201 | K191-T195 PolarHBondContact O-N 2.68Å; K191-T195 PolarHBondContact O-OG1 2.92Å; K191-T195 VanDerWaalsContact O-OG1 3.13Å; I192-T195 PolarHBondContact O-N 2.86Å; T195-V197 PolarHBondContact O-N 3.08Å; T195-V197 VanDerWaalsContact O-N 3.1Å; T195-Q198 PolarHBondContact O-N 3.45Å; T195-R199 CarbonylContact C-O 3.6Å; T195-R199 HydrophobicContact CG2-CB 4.41Å; T195-R199 PolarHBondContact O-N 3.01Å; T195-R199 VanDerWaalsContact O-O 3.08Å; T195-M201 HydrophobicContact CG2-CG 4.44Å; T195-M201 HydrophobicContact CG2-SD 4.46Å |
| 196 | F | 83.7 | Confident | 86.4 | Confident | 76 Ų | 76 | 77 Ų | 77 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -36 | -175.9 | -177.6 | -102.7 | 0 | 0 | 0 | 114 | I185 I192 K194 Q198 R199 N200 | I185-F196 HydrophobicContact CD1-CD2 3.6Å; I185-F196 HydrophobicContact CD1-CE2 3.82Å; I185-F196 HydrophobicContact CD1-CG 4.33Å; I185-F196 HydrophobicContact CG1-CD2 3.68Å; I185-F196 HydrophobicContact CG1-CE1 4.48Å; I185-F196 HydrophobicContact CG1-CE2 3.6Å; I185-F196 HydrophobicContact CG1-CG 4.16Å; I185-F196 HydrophobicContact CG1-CZ 4.03Å; I185-F196 HydrophobicContact CG2-CB 4.19Å; I185-F196 HydrophobicContact CG2-CD1 4.43Å; I185-F196 HydrophobicContact CG2-CD2 4.38Å; I185-F196 HydrophobicContact CG2-CG 4.08Å; I192-F196 VanDerWaalsContact O-CB 3.31Å; I192-F196 WeakPolarHBondContact O-CB 3.46Å; I192-F196 PolarHBondContact O-N 3.13Å; K194-F196 VanDerWaalsContact C-N 3.33Å; F196-Q198 VanDerWaalsContact C-N 3.25Å; F196-Q198 PolarHBondContact O-N 3.32Å; F196-R199 WeakPolarHBondContact CA-O 3.36Å; F196-N200 HydrophobicContact CD2-CB 4.38Å; F196-N200 HydrophobicContact CE2-CB 4.27Å; F196-N200 WeakPolarHBondContact CE2-ND2 3.45Å |
| 197 | V | 79.9 | Confident | 86.6 | Confident | 131 Ų | 131 | 74 Ų | 74 | 79% | 0.794 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.4 | 178.1 | -177 | 0 | 0 | 0 | 0 | 112.2 | T195 | T195-V197 PolarHBondContact O-N 3.08Å; T195-V197 VanDerWaalsContact O-N 3.1Å |
| 198 | Q | 80 | Confident | 86.8 | Confident | 175 Ų | 175 | 77.5 Ų | 77.5 | 82% | 0.818 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -40.1 | -178.4 | -63.6 | 176.5 | -9.7 | 0 | 0 | 112.3 | T195 F196 | T195-Q198 PolarHBondContact O-N 3.45Å; F196-Q198 VanDerWaalsContact C-N 3.25Å; F196-Q198 PolarHBondContact O-N 3.32Å |
| 199 | R | 82.7 | Confident | 86.7 | Confident | 80 Ų | 80 | 80.5 Ų | 80.5 | 30% | 0.302 | 38% | 0.383 | S | S | . | . | trans | -152.2 | 127.4 | -177.5 | -178.6 | 177.2 | 178.4 | 176.8 | -2.5 | 110.3 | E155 E159 T195 F196 M201 | E155-R199 IonicContact OE1-NH2 3.18Å; E159-R199 IonicContact OE1-CZ 2.92Å; E159-R199 IonicContact OE1-NH1 3.19Å; E159-R199 PolarHBondContact OE1-NH1 3.4Å; E159-R199 IonicContact OE1-NH2 3.11Å; E159-R199 IonicContact OE2-CZ 2.86Å; E159-R199 VanDerWaalsContact OE2-CZ 3.23Å; E159-R199 IonicContact OE2-NH1 2.67Å; E159-R199 PolarHBondContact OE2-NH1 3.45Å; E159-R199 IonicContact OE2-NH2 2.63Å; E159-R199 PolarHBondContact OE2-NH2 3.18Å; T195-R199 CarbonylContact C-O 3.6Å; T195-R199 HydrophobicContact CG2-CB 4.41Å; T195-R199 PolarHBondContact O-N 3.01Å; T195-R199 VanDerWaalsContact O-O 3.08Å; F196-R199 WeakPolarHBondContact CA-O 3.36Å; R199-M201 PolarHBondContact O-N 3.08Å | ||
| 200 | N | 83.8 | Confident | 86.6 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 14% | 0.139 | 38% | 0.377 | C | S | . | . | trans | -77.4 | 112.5 | 172.2 | -168.4 | -20.5 | 0 | 0 | 0 | 110.6 | K182 F196 F202 E203 | K182-N200 WeakPolarHBondContact CG-ND2 3.45Å; F196-N200 HydrophobicContact CD2-CB 4.38Å; F196-N200 HydrophobicContact CE2-CB 4.27Å; F196-N200 WeakPolarHBondContact CE2-ND2 3.45Å; N200-F202 PolarHBondContact O-N 2.86Å; N200-F202 PolarHBondContact OD1-N 3.46Å; N200-E203 HydrophobicContact CB-CB 3.97Å; N200-E203 PolarHBondContact O-N 3.11Å; N200-E203 VanDerWaalsContact O-N 3.14Å | ||
| 201 | M | 83.5 | Confident | 86.5 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 19% | 0.192 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -10.6 | -179.3 | -67.8 | -66.8 | -60.5 | 0 | 0 | 113.8 | I152 T156 I192 T195 R199 F204 | I152-M201 HydrophobicContact CG2-CE 3.61Å; T156-M201 HydrophobicContact CG2-CE 4.43Å; I192-M201 HydrophobicContact CD1-CB 3.76Å; I192-M201 HydrophobicContact CD1-CG 3.66Å; T195-M201 HydrophobicContact CG2-CG 4.44Å; T195-M201 HydrophobicContact CG2-SD 4.46Å; R199-M201 PolarHBondContact O-N 3.08Å; M201-F204 VanDerWaalsContact O-CE1 3.27Å; M201-F204 WeakPolarHBondContact O-CE1 3.3Å |
| 202 | F | 86.4 | Confident | 86.3 | Confident | 3 Ų | 3 | 78.5 Ų | 78.5 | 1% | 0.013 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 10.8 | 174.4 | -54.4 | -76.1 | 0 | 0 | 0 | 112.4 | H88 Q148 I152 Y181 K182 I185 T188 I192 N200 | H88-F202 HydrophobicContact CB-CE1 4.14Å; H88-F202 HydrophobicContact CB-CZ 3.97Å; Q148-F202 HydrophobicContact CB-CE1 4.21Å; Q148-F202 HydrophobicContact CG-CD1 4.35Å; Q148-F202 HydrophobicContact CG-CE1 4.36Å; I152-F202 HydrophobicContact CD1-CD1 4.36Å; I152-F202 HydrophobicContact CD1-CE1 3.92Å; Y181-F202 HydrophobicContact CD1-CD1 4.31Å; Y181-F202 AromaticContact CD1-CE1 3.55Å; Y181-F202 HydrophobicContact CD1-CE1 3.55Å; Y181-F202 HydrophobicContact CD1-CE2 4.22Å; Y181-F202 AromaticContact CD1-CZ 3.5Å; Y181-F202 HydrophobicContact CD1-CZ 3.5Å; Y181-F202 VanDerWaalsContact CD1-CZ 3.5Å; Y181-F202 HydrophobicContact CE1-CE1 4.23Å; Y181-F202 HydrophobicContact CE1-CZ 4.29Å; Y181-F202 HydrophobicContact CG-CD1 4.15Å; Y181-F202 AromaticContact CG-CE1 3.85Å; Y181-F202 HydrophobicContact CG-CE1 3.85Å; Y181-F202 HydrophobicContact CG-CZ 4.1Å; K182-F202 WeakPolarHBondContact CE-O 3.44Å; K182-F202 HydrophobicContact CG-CB 4.16Å; I185-F202 HydrophobicContact CD1-CD2 3.81Å; I185-F202 HydrophobicContact CD1-CE2 3.59Å; T188-F202 HydrophobicContact CG2-CE2 4.28Å; T188-F202 HydrophobicContact CG2-CZ 4.25Å; I192-F202 HydrophobicContact CG2-CE2 3.89Å; I192-F202 HydrophobicContact CG2-CZ 4.48Å; N200-F202 PolarHBondContact O-N 2.86Å; N200-F202 PolarHBondContact OD1-N 3.46Å |
| 203 | E | 86.8 | Confident | 86.2 | Confident | 122 Ų | 122 | 81 Ų | 81 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -108.6 | 97.9 | 168.9 | -170.7 | 164.8 | -158.3 | 0 | 0 | 108.6 | N200 | N200-E203 HydrophobicContact CB-CB 3.97Å; N200-E203 PolarHBondContact O-N 3.11Å; N200-E203 VanDerWaalsContact O-N 3.14Å |
| 204 | F | 87.8 | Confident | 86.3 | Confident | 30 Ų | 30 | 78.2 Ų | 78.2 | 13% | 0.132 | 38% | 0.383 | C | S | . | . | trans | -88.1 | 129.2 | -173.6 | -53.6 | -64.6 | 0 | 0 | 0 | 110 | C151 I152 E155 M201 I207 | C151-F204 HydrophobicContact CB-CD1 4.39Å; C151-F204 HydrophobicContact CB-CE1 3.73Å; C151-F204 HydrophobicContact CB-CE2 3.96Å; C151-F204 HydrophobicContact CB-CZ 3.48Å; C151-F204 VanDerWaalsContact CB-CZ 3.48Å; I152-F204 HydrophobicContact CG1-CE1 3.91Å; I152-F204 HydrophobicContact CG1-CZ 4.32Å; E155-F204 HydrophobicContact CB-CD1 4.05Å; E155-F204 HydrophobicContact CG-CD1 4.08Å; M201-F204 VanDerWaalsContact O-CE1 3.27Å; M201-F204 WeakPolarHBondContact O-CE1 3.3Å; F204-I207 HydrophobicContact CB-CB 3.62Å; F204-I207 HydrophobicContact CB-CD1 4.11Å; F204-I207 HydrophobicContact CB-CG1 3.92Å; F204-I207 HydrophobicContact CD1-CD1 3.98Å; F204-I207 HydrophobicContact CD2-CB 4.42Å; F204-I207 HydrophobicContact CD2-CD1 4.32Å; F204-I207 HydrophobicContact CG-CB 4.14Å; F204-I207 HydrophobicContact CG-CD1 3.87Å; F204-I207 HydrophobicContact CG-CG1 4.25Å | ||
| 205 | K | 87.4 | Confident | 86.3 | Confident | 132 Ų | 132 | 71.9 Ų | 71.9 | 57% | 0.574 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -82.1 | -35.1 | 177.7 | -59.7 | 175.9 | -176.9 | 170.1 | 0 | 111.3 | E155 E159 | E155-K205 WeakPolarHBondContact OE1-CB 3.49Å; E155-K205 PolarHBondContact OE1-N 3.08Å; E155-K205 PolarHBondContact OE2-N 3.36Å; E159-K205 IonicContact OE1-NZ 2.75Å; E159-K205 PolarHBondContact OE1-NZ 3.43Å |
| 206 | H | 89.9 | Confident | 86.5 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 25% | 0.25 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -98.9 | -15.3 | -172.5 | -54.6 | 85 | 0 | 0 | 0 | 112.9 | E155 W158 | E155-H206 VanDerWaalsContact CD-ND1 3.34Å; E155-H206 IonicContact OE1-CE1 3.91Å; E155-H206 IonicContact OE1-CG 3.51Å; E155-H206 PolarHBondContact OE1-N 2.79Å; E155-H206 IonicContact OE1-ND1 3.99Å; E155-H206 PolarHBondContact OE1-ND1 2.82Å; E155-H206 WeakPolarHBondContact OE2-CB 3Å; E155-H206 IonicContact OE2-CG 3.71Å; E155-H206 PolarHBondContact OE2-N 3.35Å; E155-H206 IonicContact OE2-ND1 3.6Å; E155-H206 PolarHBondContact OE2-ND1 3.3Å; W158-H206 HydrophobicContact CB-CB 4.38Å |
| 207 | I | 90.6 | Very high | 86.8 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 9% | 0.092 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.1 | -178.3 | -50.9 | -179.4 | 0 | 0 | 0 | 109.8 | C151 E155 I167 F169 F204 | C151-I207 HydrophobicContact CB-CD1 3.6Å; E155-I207 HydrophobicContact CB-CD1 4.49Å; I167-I207 HydrophobicContact CB-CG1 4.03Å; I167-I207 HydrophobicContact CD1-CG1 4.28Å; I167-I207 HydrophobicContact CG2-CB 4.38Å; I167-I207 HydrophobicContact CG2-CD1 4.33Å; I167-I207 HydrophobicContact CG2-CG1 3.84Å; I167-I207 HydrophobicContact CG2-CG2 4.1Å; I167-I207 WeakPolarHBondContact O-CA 3.38Å; F169-I207 HydrophobicContact CB-CG2 3.84Å; F169-I207 HydrophobicContact CD2-CG2 4.48Å; F204-I207 HydrophobicContact CB-CB 3.62Å; F204-I207 HydrophobicContact CB-CD1 4.11Å; F204-I207 HydrophobicContact CB-CG1 3.92Å; F204-I207 HydrophobicContact CD1-CD1 3.98Å; F204-I207 HydrophobicContact CD2-CB 4.42Å; F204-I207 HydrophobicContact CD2-CD1 4.32Å; F204-I207 HydrophobicContact CG-CB 4.14Å; F204-I207 HydrophobicContact CG-CD1 3.87Å; F204-I207 HydrophobicContact CG-CG1 4.25Å |
| 208 | K | 90.8 | Very high | 87.3 | Confident | 140 Ų | 140 | 74.1 Ų | 74.1 | 61% | 0.609 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 162.2 | -178.1 | -61.6 | -177.1 | -177.5 | -179.9 | 0 | 112 | I167 Y168 F169 | I167-K208 PolarHBondContact O-N 2.9Å; Y168-K208 CarbonylContact C-O 3.52Å; Y168-K208 VanDerWaalsContact CA-O 3.24Å; Y168-K208 WeakPolarHBondContact CA-O 3.35Å; Y168-K208 HydrophobicContact CD1-CB 4.12Å; Y168-K208 HydrophobicContact CE1-CB 4.38Å; F169-K208 PolarHBondContact N-O 3.1Å |
| 209 | A | 89.3 | Confident | 87.9 | Confident | 64 Ų | 64 | 67.5 Ų | 67.5 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 135.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | T171 | T171-A209 HydrophobicContact CG2-CB 3.63Å |
| 210 | F | 88.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.4 | 176.4 | -174.6 | -105.5 | 0 | 0 | 0 | 111.5 | Y168 F169 F214 A215 V223 Q234 I238 | Y168-F210 HydrophobicContact CD2-CD2 4.11Å; Y168-F210 AromaticContact CG-CD2 3.87Å; Y168-F210 HydrophobicContact CG-CD2 3.87Å; F169-F210 WeakPolarHBondContact O-CB 3.17Å; F169-F210 PolarHBondContact O-N 3.03Å; F210-F214 HydrophobicContact CD2-CB 4.26Å; F210-F214 HydrophobicContact CE2-CB 3.87Å; F210-A215 HydrophobicContact CZ-CB 3.94Å; F210-V223 HydrophobicContact CD2-CG1 3.91Å; F210-V223 HydrophobicContact CD2-CG2 3.93Å; F210-V223 HydrophobicContact CE2-CG1 4.1Å; F210-V223 HydrophobicContact CE2-CG2 3.78Å; F210-V223 HydrophobicContact CG-CG1 4.13Å; F210-V223 HydrophobicContact CZ-CG1 4.5Å; F210-Q234 HydrophobicContact CE1-CG 4.41Å; F210-I238 HydrophobicContact CD1-CD1 4.26Å; F210-I238 HydrophobicContact CE1-CD1 3.6Å; F210-I238 HydrophobicContact CE1-CG1 4.14Å; F210-I238 HydrophobicContact CZ-CD1 3.78Å; F210-I238 HydrophobicContact CZ-CG1 4.19Å |
| 211 | D | 86.9 | Confident | 89.2 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 47% | 0.465 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 139.6 | 163 | -165.7 | -41 | 0 | 0 | 0 | 109.7 | A213 F214 | D211-A213 PolarHBondContact O-N 3.21Å; D211-A213 PolarHBondContact OD1-N 3.44Å; D211-F214 HydrophobicContact CB-CD1 4.09Å; D211-F214 HydrophobicContact CB-CD2 3.67Å; D211-F214 HydrophobicContact CB-CE1 3.94Å; D211-F214 HydrophobicContact CB-CE2 3.5Å; D211-F214 VanDerWaalsContact CB-CE2 3.5Å; D211-F214 HydrophobicContact CB-CG 3.96Å; D211-F214 HydrophobicContact CB-CZ 3.63Å; D211-F214 WeakPolarHBondContact O-CB 3.43Å; D211-F214 PolarHBondContact O-N 2.88Å |
| 212 | R | 83.7 | Confident | 89.8 | Confident | 163 Ų | 163 | 62.6 Ų | 62.6 | 62% | 0.615 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -56.6 | -31.2 | 176.1 | -66.8 | -175.9 | -176 | -172.9 | 1.9 | 112.5 | F214 A215 | R212-F214 PolarHBondContact O-N 2.85Å; R212-A215 WeakPolarHBondContact O-CB 3.44Å; R212-A215 PolarHBondContact O-N 3.32Å |
| 213 | A | 85.7 | Confident | 90.3 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -62.2 | -29.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D211 A215 D216 | D211-A213 PolarHBondContact O-N 3.21Å; D211-A213 PolarHBondContact OD1-N 3.44Å; A213-A215 PolarHBondContact O-N 2.94Å; A213-D216 PolarHBondContact O-N 2.88Å |
| 214 | F | 89.8 | Confident | 90.6 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 27% | 0.272 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -69.6 | -16.3 | -178.4 | -56.4 | -22.3 | 0 | 0 | 0 | 113.3 | Y168 F210 D211 R212 D216 N217 M221 | Y168-F214 HydrophobicContact CD1-CD2 4.03Å; Y168-F214 HydrophobicContact CD1-CE2 4.4Å; Y168-F214 AromaticContact CE1-CD2 3.63Å; Y168-F214 HydrophobicContact CE1-CD2 3.63Å; Y168-F214 AromaticContact CE1-CE2 3.89Å; Y168-F214 HydrophobicContact CE1-CE2 3.89Å; Y168-F214 AromaticContact CZ-CD2 3.93Å; F210-F214 HydrophobicContact CD2-CB 4.26Å; F210-F214 HydrophobicContact CE2-CB 3.87Å; D211-F214 HydrophobicContact CB-CD1 4.09Å; D211-F214 HydrophobicContact CB-CD2 3.67Å; D211-F214 HydrophobicContact CB-CE1 3.94Å; D211-F214 HydrophobicContact CB-CE2 3.5Å; D211-F214 VanDerWaalsContact CB-CE2 3.5Å; D211-F214 HydrophobicContact CB-CG 3.96Å; D211-F214 HydrophobicContact CB-CZ 3.63Å; D211-F214 WeakPolarHBondContact O-CB 3.43Å; D211-F214 PolarHBondContact O-N 2.88Å; R212-F214 PolarHBondContact O-N 2.85Å; F214-D216 PolarHBondContact O-N 3.14Å; F214-D216 VanDerWaalsContact O-N 3.16Å; F214-N217 WeakPolarHBondContact CD1-ND2 3.47Å; F214-N217 WeakPolarHBondContact O-CB 3.36Å; F214-N217 PolarHBondContact O-N 3.38Å; F214-N217 VanDerWaalsContact O-N 3.15Å; F214-M221 WeakPolarHBondContact O-CE 3.42Å |
| 215 | A | 89.1 | Confident | 90.8 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -55.6 | -33.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K136 F210 R212 A213 K241 W242 | K136-A215 PolarHBondContact NZ-O 2.94Å; F210-A215 HydrophobicContact CZ-CB 3.94Å; R212-A215 WeakPolarHBondContact O-CB 3.44Å; R212-A215 PolarHBondContact O-N 3.32Å; A213-A215 PolarHBondContact O-N 2.94Å; A215-K241 HydrophobicContact CB-CD 3.98Å; A215-W242 PolarHBondContact O-NE1 2.87Å |
| 216 | D | 89.6 | Confident | 91 | Very high | 102 Ų | 102 | 50.3 Ų | 50.3 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -94.7 | -8.7 | -174.4 | -55.7 | -40.4 | 0 | 0 | 0 | 112.4 | A213 F214 K241 | A213-D216 PolarHBondContact O-N 2.88Å; F214-D216 PolarHBondContact O-N 3.14Å; F214-D216 VanDerWaalsContact O-N 3.16Å; D216-K241 WeakPolarHBondContact OD1-CD 3.47Å; D216-K241 IonicContact OD1-NZ 3.58Å; D216-K241 PolarHBondContact OD1-NZ 3.14Å; D216-K241 IonicContact OD2-NZ 2.76Å; D216-K241 PolarHBondContact OD2-NZ 3.32Å |
| 217 | N | 91.6 | Very high | 91 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 35% | 0.348 | 28% | 0.277 | S | S | . | . | trans | -59.4 | 137.5 | 179.7 | -74.5 | -2.5 | 0 | 0 | 0 | 111.2 | K136 F214 M221 | K136-N217 WeakPolarHBondContact CE-O 3.26Å; K136-N217 PolarHBondContact NZ-O 3Å; F214-N217 WeakPolarHBondContact CD1-ND2 3.47Å; F214-N217 WeakPolarHBondContact O-CB 3.36Å; F214-N217 PolarHBondContact O-N 3.38Å; F214-N217 VanDerWaalsContact O-N 3.15Å; N217-M221 HydrophobicContact CB-CE 3.97Å | ||
| 218 | P | 88.9 | Confident | 91 | Very high | 129 Ų | 129 | 48.3 Ų | 48.3 | 84% | 0.838 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -69.3 | 153.2 | 175.5 | 29.8 | -34.3 | 0 | 0 | 0 | 111 | ||
| 219 | G | 92.9 | Very high | 91 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 37% | 0.371 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 97.1 | 174.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K136 | K136-G219 WeakPolarHBondContact CE-O 3.18Š|
| 220 | P | 96.5 | Very high | 91 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 25% | 0.253 | 23% | 0.229 | S | C | . | . | trans | -73.3 | 145.3 | -177.9 | 30 | -34.1 | 0 | 0 | 0 | 111.3 | V131 G135 V165 | V131-P220 HydrophobicContact CB-CB 4.06Å; V131-P220 HydrophobicContact CG1-CB 4.45Å; V131-P220 WeakPolarHBondContact O-CB 3.28Å; G135-P220 WeakPolarHBondContact O-CA 3.27Å; G135-P220 WeakPolarHBondContact O-CB 3.37Å; V165-P220 HydrophobicContact CG1-CB 4.06Å; V165-P220 HydrophobicContact CG1-CG 4.25Å; V165-P220 HydrophobicContact CG2-CG 4.2Å | ||
| 221 | M | 96.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 155.3 | 172.5 | 62.9 | -172.3 | 69.2 | 0 | 0 | 110 | K136 V137 P166 Y168 F214 N217 V223 W242 | K136-M221 CarbonylContact C-O 3.56Å; K136-M221 WeakPolarHBondContact CA-O 3.38Å; K136-M221 HydrophobicContact CB-CG 4.22Å; K136-M221 HydrophobicContact CD-CE 4.24Å; K136-M221 HydrophobicContact CD-CG 4.01Å; K136-M221 HydrophobicContact CD-SD 4.12Å; K136-M221 HydrophobicContact CG-CG 3.99Å; V137-M221 PolarHBondContact N-O 3.25Å; P166-M221 HydrophobicContact CG-CB 4.11Å; P166-M221 WeakPolarHBondContact O-CA 3.48Å; Y168-M221 HydrophobicContact CD2-CB 4.32Å; Y168-M221 HydrophobicContact CE2-CB 4.15Å; Y168-M221 HydrophobicContact CE2-SD 4.38Å; F214-M221 WeakPolarHBondContact O-CE 3.42Å; N217-M221 HydrophobicContact CB-CE 3.97Å; M221-V223 HydrophobicContact CG-CG2 4.18Å; M221-V223 HydrophobicContact SD-CG2 4.19Å; M221-W242 HydrophobicContact CG-CH2 3.76Å; M221-W242 HydrophobicContact CG-CZ2 4.15Å; M221-W242 HydrophobicContact SD-CH2 3.76Å; M221-W242 HydrophobicContact SD-CZ2 3.62Å |
| 222 | V | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.1 | 170.8 | -176.5 | 0 | 0 | 0 | 0 | 108 | V127 V131 V137 I139 L154 W158 P166 I167 Y168 | V127-V222 HydrophobicContact CG1-CG2 3.95Å; V131-V222 HydrophobicContact CG1-CG2 3.78Å; V137-V222 HydrophobicContact CB-CG1 4.26Å; V137-V222 HydrophobicContact CB-CG2 4.2Å; V137-V222 HydrophobicContact CG1-CG1 4.46Å; V137-V222 HydrophobicContact CG2-CG2 4.44Å; V137-V222 CarbonylContact O-C 3.57Å; V137-V222 WeakPolarHBondContact O-CA 3.34Å; I139-V222 HydrophobicContact CD1-CG1 3.8Å; I139-V222 HydrophobicContact CG1-CG1 4.41Å; L154-V222 HydrophobicContact CD1-CG1 3.95Å; W158-V222 HydrophobicContact CH2-CG2 4.01Å; W158-V222 HydrophobicContact CZ2-CG2 4.09Å; P166-V222 PolarHBondContact O-N 2.83Å; P166-V222 VanDerWaalsContact O-N 3.09Å; I167-V222 CarbonylContact C-O 3.58Å; I167-V222 WeakPolarHBondContact CA-O 3.36Å; I167-V222 HydrophobicContact CG1-CB 4.23Å; I167-V222 HydrophobicContact CG2-CB 4.25Å; I167-V222 HydrophobicContact CG2-CG1 4.4Å; Y168-V222 PolarHBondContact N-O 3.24Å |
| 223 | V | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 120.3 | -179.8 | -177 | 0 | 0 | 0 | 0 | 110.8 | V137 I139 Y168 F210 M221 A225 I238 W242 | V137-V223 PolarHBondContact O-N 3.13Å; I139-V223 PolarHBondContact N-O 3.07Å; Y168-V223 HydrophobicContact CD2-CG2 4.06Å; Y168-V223 WeakPolarHBondContact O-CA 3.37Å; F210-V223 HydrophobicContact CD2-CG1 3.91Å; F210-V223 HydrophobicContact CD2-CG2 3.93Å; F210-V223 HydrophobicContact CE2-CG1 4.1Å; F210-V223 HydrophobicContact CE2-CG2 3.78Å; F210-V223 HydrophobicContact CG-CG1 4.13Å; F210-V223 HydrophobicContact CZ-CG1 4.5Å; M221-V223 HydrophobicContact CG-CG2 4.18Å; M221-V223 HydrophobicContact SD-CG2 4.19Å; V223-A225 HydrophobicContact CG1-CB 4.44Å; V223-I238 HydrophobicContact CG1-CD1 3.77Å; V223-W242 HydrophobicContact CB-CH2 3.97Å; V223-W242 HydrophobicContact CB-CZ3 4.33Å; V223-W242 HydrophobicContact CG2-CH2 3.49Å; V223-W242 VanDerWaalsContact CG2-CH2 3.49Å; V223-W242 HydrophobicContact CG2-CZ2 4.35Å; V223-W242 HydrophobicContact CG2-CZ3 4.27Å |
| 224 | F | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 122.1 | 165.2 | -66.7 | -85.2 | 0 | 0 | 0 | 109.8 | I139 V141 L150 L154 I167 Y168 F169 S170 | I139-F224 HydrophobicContact CB-CD1 3.72Å; I139-F224 HydrophobicContact CB-CE1 3.95Å; I139-F224 HydrophobicContact CB-CG 4.46Å; I139-F224 HydrophobicContact CD1-CD1 4.17Å; I139-F224 HydrophobicContact CD1-CE1 3.61Å; I139-F224 HydrophobicContact CD1-CE2 4.49Å; I139-F224 HydrophobicContact CD1-CZ 3.82Å; I139-F224 HydrophobicContact CG1-CD1 4.49Å; I139-F224 HydrophobicContact CG1-CE1 4.36Å; I139-F224 HydrophobicContact CG2-CD1 3.83Å; I139-F224 HydrophobicContact CG2-CE1 3.81Å; I139-F224 WeakPolarHBondContact O-CA 3.43Å; V141-F224 HydrophobicContact CG1-CD1 4.26Å; V141-F224 HydrophobicContact CG2-CB 4.08Å; V141-F224 HydrophobicContact CG2-CD1 4.1Å; L150-F224 HydrophobicContact CB-CE1 3.57Å; L150-F224 HydrophobicContact CB-CZ 3.88Å; L150-F224 HydrophobicContact CD1-CE1 4.13Å; L154-F224 HydrophobicContact CD1-CE2 3.61Å; L154-F224 HydrophobicContact CD1-CZ 3.43Å; L154-F224 VanDerWaalsContact CD1-CZ 3.43Å; L154-F224 HydrophobicContact CG-CZ 4.29Å; I167-F224 HydrophobicContact CG2-CD2 4.18Å; I167-F224 HydrophobicContact CG2-CE2 3.95Å; Y168-F224 PolarHBondContact O-N 3.33Å; F169-F224 HydrophobicContact CD1-CB 4.39Å; F169-F224 HydrophobicContact CD2-CB 3.37Å; F169-F224 AromaticContact CD2-CD2 3.65Å; F169-F224 HydrophobicContact CD2-CD2 3.65Å; F169-F224 AromaticContact CD2-CG 3.67Å; F169-F224 HydrophobicContact CD2-CG 3.67Å; F169-F224 HydrophobicContact CE1-CB 4.12Å; F169-F224 HydrophobicContact CE2-CB 3.17Å; F169-F224 HydrophobicContact CE2-CD1 4.03Å; F169-F224 AromaticContact CE2-CD2 3.86Å; F169-F224 HydrophobicContact CE2-CD2 3.86Å; F169-F224 AromaticContact CE2-CG 3.44Å; F169-F224 HydrophobicContact CE2-CG 3.44Å; F169-F224 VanDerWaalsContact CE2-CG 3.44Å; F169-F224 HydrophobicContact CG-CB 3.99Å; F169-F224 HydrophobicContact CZ-CB 3.56Å; F169-F224 HydrophobicContact CZ-CG 4.24Å; S170-F224 WeakPolarHBondContact CB-O 3.31Å; S170-F224 PolarHBondContact N-O 2.99Å |
| 225 | A | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L138 I139 P140 V141 V223 S235 I238 | L138-A225 HydrophobicContact CD1-CB 3.8Å; I139-A225 PolarHBondContact O-N 2.96Å; I139-A225 VanDerWaalsContact O-N 3.08Å; P140-A225 CarbonylContact C-O 3.57Å; P140-A225 VanDerWaalsContact CA-O 3.3Å; P140-A225 WeakPolarHBondContact CA-O 3.27Å; V141-A225 PolarHBondContact N-O 2.93Å; V223-A225 HydrophobicContact CG1-CB 4.44Å; A225-S235 VanDerWaalsContact CB-CA 3.48Å; A225-I238 HydrophobicContact CB-CD1 3.95Å |
| 226 | T | 90.6 | Very high | 91.8 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 18% | 0.178 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -105.2 | 147.9 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 110.6 | V141 A143 S170 Q234 S235 | V141-T226 WeakPolarHBondContact O-CA 3.02Å; V141-T226 WeakPolarHBondContact O-CG2 3.28Å; A143-T226 HydrophobicContact CB-CG2 4.18Å; S170-T226 PolarHBondContact OG-OG1 3.11Å; T226-Q234 PolarHBondContact O-N 3.39Å; T226-Q234 VanDerWaalsContact O-N 3.14Å; T226-S235 PolarHBondContact O-N 2.67Å; T226-S235 PolarHBondContact O-OG 3.1Å |
| 227 | P | 90.5 | Very high | 91.9 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | cis | -83.9 | 167.1 | -5.1 | 35.3 | -34.3 | 0 | 0 | 0 | 113.6 | V141 M229 H231 A232 S235 | V141-P227 CarbonylContact O-C 3.57Å; P227-M229 VanDerWaalsContact C-N 3.33Å; P227-M229 PolarHBondContact O-N 3.48Å; P227-H231 VanDerWaalsContact CB-CE1 3.48Å; P227-H231 WeakPolarHBondContact CB-CE1 3.49Å; P227-H231 WeakPolarHBondContact CG-CE1 3.3Å; P227-A232 WeakPolarHBondContact CD-O 3.32Å; P227-S235 WeakPolarHBondContact CD-OG 3.33Å; P227-S235 WeakPolarHBondContact O-CB 3.36Å; P227-S235 PolarHBondContact O-OG 3.03Å | ||
| 228 | G | 89.2 | Confident | 92.1 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | P140 V141 M252 | P140-G228 WeakPolarHBondContact CB-O 3.11Å; V141-G228 PolarHBondContact O-N 3.06Å; G228-M252 WeakPolarHBondContact O-CE 3.42Å |
| 229 | M | 91.1 | Very high | 92.4 | Very high | 32 Ų | 32 | 22.6 Ų | 22.6 | 16% | 0.158 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 10.4 | -175.2 | -59 | -174.4 | -77.1 | 0 | 0 | 114.3 | F142 P227 H231 V257 T260 G262 | F142-M229 HydrophobicContact CE1-CE 4.48Å; F142-M229 HydrophobicContact CZ-CE 4.03Å; F142-M229 HydrophobicContact CZ-CG 4.04Å; F142-M229 HydrophobicContact CZ-SD 4.43Å; P227-M229 VanDerWaalsContact C-N 3.33Å; P227-M229 PolarHBondContact O-N 3.48Å; M229-H231 PolarHBondContact O-N 2.82Å; M229-H231 VanDerWaalsContact O-N 3.11Å; M229-V257 HydrophobicContact CE-CG2 4.47Å; M229-V257 HydrophobicContact SD-CB 4.13Å; M229-V257 HydrophobicContact SD-CG2 3.84Å; M229-T260 HydrophobicContact CB-CG2 4.07Å; M229-T260 HydrophobicContact SD-CG2 4.19Å; M229-G262 PolarHBondContact O-N 2.86Å; M229-G262 VanDerWaalsContact O-N 3.11Å |
| 230 | L | 90.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 56.9 | 23 | -179.5 | -62.9 | 173.6 | 0 | 0 | 0 | 115.1 | L138 P140 L236 F239 V250 M252 V261 I265 | L138-L230 HydrophobicContact CD2-CD2 4.35Å; P140-L230 HydrophobicContact CB-CD2 3.97Å; P140-L230 HydrophobicContact CB-CG 4.14Å; P140-L230 HydrophobicContact CG-CD1 4.22Å; P140-L230 HydrophobicContact CG-CD2 3.53Å; P140-L230 HydrophobicContact CG-CG 3.83Å; L230-L236 WeakPolarHBondContact O-CD1 3.49Å; L230-F239 HydrophobicContact CD1-CD2 4.16Å; L230-F239 HydrophobicContact CD1-CE2 4.48Å; L230-F239 HydrophobicContact CD1-CG 4.29Å; L230-F239 HydrophobicContact CD2-CB 4Å; L230-F239 HydrophobicContact CD2-CG 4.4Å; L230-V250 HydrophobicContact CD1-CG2 4.41Å; L230-M252 HydrophobicContact CD1-CE 4.15Å; L230-M252 HydrophobicContact CD1-SD 3.79Å; L230-M252 HydrophobicContact CG-CE 4.25Å; L230-M252 HydrophobicContact CG-SD 4.31Å; L230-V261 HydrophobicContact CB-CB 4.06Å; L230-V261 HydrophobicContact CB-CG1 4.22Å; L230-V261 WeakPolarHBondContact O-CB 3.37Å; L230-V261 WeakPolarHBondContact O-CG2 3.43Å; L230-I265 HydrophobicContact CD1-CD1 3.6Å |
| 231 | H | 84.3 | Confident | 92.3 | Very high | 97 Ų | 97 | 29 Ų | 29 | 45% | 0.449 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -80.7 | -26.5 | -177.4 | 61.3 | -93.3 | 0 | 0 | 0 | 113.4 | P227 M229 T260 | P227-H231 VanDerWaalsContact CB-CE1 3.48Å; P227-H231 WeakPolarHBondContact CB-CE1 3.49Å; P227-H231 WeakPolarHBondContact CG-CE1 3.3Å; M229-H231 PolarHBondContact O-N 2.82Å; M229-H231 VanDerWaalsContact O-N 3.11Å; H231-T260 HydrophobicContact CB-CG2 4.48Å |
| 232 | A | 88.4 | Confident | 92.2 | Very high | 43 Ų | 43 | 29.1 Ų | 29.1 | 36% | 0.355 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -158.5 | -168.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P227 L236 | P227-A232 WeakPolarHBondContact CD-O 3.32Å; A232-L236 WeakPolarHBondContact O-CB 3.21Å |
| 233 | G | 89.4 | Confident | 92.2 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 41% | 0.412 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | 66.6 | -160.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L236 Q237 | G233-L236 PolarHBondContact O-N 2.77Å; G233-Q237 WeakPolarHBondContact O-CG 3.45Å; G233-Q237 PolarHBondContact O-N 2.93Å; G233-Q237 VanDerWaalsContact O-N 3.16Å |
| 234 | Q | 90.7 | Very high | 92.1 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.9 | -33.9 | -171.1 | -166.3 | 176.5 | 73.1 | 0 | 0 | 112.1 | S170 F210 T226 L236 Q237 I238 | S170-Q234 PolarHBondContact OG-OE1 2.75Å; F210-Q234 HydrophobicContact CE1-CG 4.41Å; T226-Q234 PolarHBondContact O-N 3.39Å; T226-Q234 VanDerWaalsContact O-N 3.14Å; Q234-L236 VanDerWaalsContact C-N 3.33Å; Q234-L236 PolarHBondContact O-N 3.18Å; Q234-Q237 PolarHBondContact O-N 2.63Å; Q234-I238 HydrophobicContact CG-CD1 3.86Å; Q234-I238 HydrophobicContact CG-CG1 4.26Å; Q234-I238 VanDerWaalsContact O-CG1 3.29Å; Q234-I238 WeakPolarHBondContact O-CG1 3.26Å; Q234-I238 PolarHBondContact O-N 2.99Å |
| 235 | S | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 177.1 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | A225 T226 P227 F239 | A225-S235 VanDerWaalsContact CB-CA 3.48Å; T226-S235 PolarHBondContact O-N 2.67Å; T226-S235 PolarHBondContact O-OG 3.1Å; P227-S235 WeakPolarHBondContact CD-OG 3.33Å; P227-S235 WeakPolarHBondContact O-CB 3.36Å; P227-S235 PolarHBondContact O-OG 3.03Å; S235-F239 VanDerWaalsContact O-CB 3.24Å; S235-F239 WeakPolarHBondContact O-CB 3.35Å; S235-F239 PolarHBondContact O-N 3.41Å |
| 236 | L | 93.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.4 | -39.5 | 175.7 | -175 | 55.3 | 0 | 0 | 0 | 112.3 | L230 A232 G233 Q234 F239 R240 V261 M274 | L230-L236 WeakPolarHBondContact O-CD1 3.49Å; A232-L236 WeakPolarHBondContact O-CB 3.21Å; G233-L236 PolarHBondContact O-N 2.77Å; Q234-L236 VanDerWaalsContact C-N 3.33Å; Q234-L236 PolarHBondContact O-N 3.18Å; L236-F239 HydrophobicContact CD1-CD1 4.2Å; L236-F239 PolarHBondContact O-N 3.3Å; L236-R240 HydrophobicContact CD1-CG 4.44Å; L236-R240 WeakPolarHBondContact O-CG 3.3Å; L236-R240 PolarHBondContact O-N 2.98Å; L236-V261 HydrophobicContact CD1-CG1 4.35Å; L236-V261 HydrophobicContact CD1-CG2 4.38Å; L236-M274 HydrophobicContact CD1-CE 3.83Å; L236-M274 HydrophobicContact CD2-CE 4.35Å; L236-M274 HydrophobicContact CG-CE 4.37Å |
| 237 | Q | 92.6 | Very high | 92.6 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.3 | -72.3 | 173.7 | -5.2 | 0 | 0 | 111.9 | G233 Q234 K241 | G233-Q237 WeakPolarHBondContact O-CG 3.45Å; G233-Q237 PolarHBondContact O-N 2.93Å; G233-Q237 VanDerWaalsContact O-N 3.16Å; Q234-Q237 PolarHBondContact O-N 2.63Å; Q237-K241 PolarHBondContact O-N 3.49Å |
| 238 | I | 94.4 | Very high | 93 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.5 | -44.1 | 176.2 | -64.1 | 167.6 | 0 | 0 | 0 | 110.1 | L138 F210 V223 A225 Q234 R240 K241 W242 | L138-I238 HydrophobicContact CD1-CB 4.2Å; L138-I238 HydrophobicContact CD1-CD1 4.48Å; L138-I238 HydrophobicContact CD1-CG2 3.86Å; L138-I238 HydrophobicContact CD2-CG2 4.27Å; F210-I238 HydrophobicContact CD1-CD1 4.26Å; F210-I238 HydrophobicContact CE1-CD1 3.6Å; F210-I238 HydrophobicContact CE1-CG1 4.14Å; F210-I238 HydrophobicContact CZ-CD1 3.78Å; F210-I238 HydrophobicContact CZ-CG1 4.19Å; V223-I238 HydrophobicContact CG1-CD1 3.77Å; A225-I238 HydrophobicContact CB-CD1 3.95Å; Q234-I238 HydrophobicContact CG-CD1 3.86Å; Q234-I238 HydrophobicContact CG-CG1 4.26Å; Q234-I238 VanDerWaalsContact O-CG1 3.29Å; Q234-I238 WeakPolarHBondContact O-CG1 3.26Å; Q234-I238 PolarHBondContact O-N 2.99Å; I238-R240 VanDerWaalsContact C-N 3.34Å; I238-R240 PolarHBondContact O-N 3.24Å; I238-K241 PolarHBondContact O-N 2.87Å; I238-K241 VanDerWaalsContact O-N 3.12Å; I238-W242 HydrophobicContact CG2-CD2 3.42Å; I238-W242 VanDerWaalsContact CG2-CD2 3.42Å; I238-W242 HydrophobicContact CG2-CE3 3.5Å; I238-W242 HydrophobicContact CG2-CG 4.09Å; I238-W242 HydrophobicContact CG2-CH2 3.79Å; I238-W242 HydrophobicContact CG2-CZ2 3.7Å; I238-W242 HydrophobicContact CG2-CZ3 3.69Å; I238-W242 WeakPolarHBondContact O-CB 3.48Å; I238-W242 PolarHBondContact O-N 3.5Å |
| 239 | F | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.1 | -46.7 | 177.5 | 178.5 | -102.1 | 0 | 0 | 0 | 111.9 | L138 L230 S235 L236 K241 W242 A243 V250 V261 I265 L272 L280 V282 M284 | L138-F239 HydrophobicContact CD2-CB 3.7Å; L138-F239 HydrophobicContact CD2-CD2 4.24Å; L138-F239 HydrophobicContact CD2-CG 4.48Å; L230-F239 HydrophobicContact CD1-CD2 4.16Å; L230-F239 HydrophobicContact CD1-CE2 4.48Å; L230-F239 HydrophobicContact CD1-CG 4.29Å; L230-F239 HydrophobicContact CD2-CB 4Å; L230-F239 HydrophobicContact CD2-CG 4.4Å; S235-F239 VanDerWaalsContact O-CB 3.24Å; S235-F239 WeakPolarHBondContact O-CB 3.35Å; S235-F239 PolarHBondContact O-N 3.41Å; L236-F239 HydrophobicContact CD1-CD1 4.2Å; L236-F239 PolarHBondContact O-N 3.3Å; F239-K241 VanDerWaalsContact C-N 3.27Å; F239-K241 PolarHBondContact O-N 2.87Å; F239-W242 PolarHBondContact O-N 3.06Å; F239-W242 VanDerWaalsContact O-N 3.13Å; F239-A243 HydrophobicContact CE1-CB 4.25Å; F239-A243 HydrophobicContact CE2-CB 4.22Å; F239-A243 HydrophobicContact CZ-CB 4.05Å; F239-A243 WeakPolarHBondContact O-CB 3.31Å; F239-A243 PolarHBondContact O-N 3.35Å; F239-V250 HydrophobicContact CE2-CG1 4.17Å; F239-V261 HydrophobicContact CE1-CG1 4.23Å; F239-I265 HydrophobicContact CE2-CD1 4.03Å; F239-I265 HydrophobicContact CZ-CD1 4.17Å; F239-I265 HydrophobicContact CZ-CG2 3.97Å; F239-L272 HydrophobicContact CE1-CD1 3.76Å; F239-L272 HydrophobicContact CZ-CD1 4.19Å; F239-L280 HydrophobicContact CD1-CD2 4.03Å; F239-L280 HydrophobicContact CE1-CD2 3.73Å; F239-V282 HydrophobicContact CE1-CG2 4.35Å; F239-V282 HydrophobicContact CE2-CG1 4.45Å; F239-V282 HydrophobicContact CZ-CG1 4.09Å; F239-V282 HydrophobicContact CZ-CG2 3.82Å; F239-M284 HydrophobicContact CD2-SD 3.77Å; F239-M284 HydrophobicContact CE2-SD 3.55Å; F239-M284 VanDerWaalsContact CE2-SD 3.55Å |
| 240 | R | 93.6 | Very high | 93.7 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 36% | 0.362 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56 | -40.6 | 176.9 | -73.6 | 175.1 | -171.5 | -167.1 | 0.9 | 112.4 | L236 I238 M274 L280 | L236-R240 HydrophobicContact CD1-CG 4.44Å; L236-R240 WeakPolarHBondContact O-CG 3.3Å; L236-R240 PolarHBondContact O-N 2.98Å; I238-R240 VanDerWaalsContact C-N 3.34Å; I238-R240 PolarHBondContact O-N 3.24Å; R240-M274 HydrophobicContact CG-CE 3.95Å; R240-L280 HydrophobicContact CG-CD2 4.22Å |
| 241 | K | 93.7 | Very high | 94 | Very high | 112 Ų | 112 | 43.1 Ų | 43.1 | 49% | 0.487 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.9 | -34.7 | 178.8 | -70.2 | -176.3 | 167.1 | -160.2 | 0 | 112.9 | A215 D216 Q237 I238 F239 | A215-K241 HydrophobicContact CB-CD 3.98Å; D216-K241 WeakPolarHBondContact OD1-CD 3.47Å; D216-K241 IonicContact OD1-NZ 3.58Å; D216-K241 PolarHBondContact OD1-NZ 3.14Å; D216-K241 IonicContact OD2-NZ 2.76Å; D216-K241 PolarHBondContact OD2-NZ 3.32Å; Q237-K241 PolarHBondContact O-N 3.49Å; I238-K241 PolarHBondContact O-N 2.87Å; I238-K241 VanDerWaalsContact O-N 3.12Å; F239-K241 VanDerWaalsContact C-N 3.27Å; F239-K241 PolarHBondContact O-N 2.87Å |
| 242 | W | 95.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -100.2 | -16.9 | -168.8 | -67.2 | 3.2 | 0 | 0 | 0 | 114.4 | K136 L138 A215 M221 V223 I238 F239 G244 N245 N248 | K136-W242 HydrophobicContact CB-CD2 4.07Å; K136-W242 HydrophobicContact CB-CE3 3.71Å; K136-W242 HydrophobicContact CB-CH2 3.97Å; K136-W242 HydrophobicContact CB-CZ2 4.34Å; K136-W242 HydrophobicContact CB-CZ3 3.66Å; K136-W242 HydrophobicContact CD-CD2 3.9Å; K136-W242 VanDerWaalsContact CD-CE2 3.45Å; K136-W242 HydrophobicContact CD-CE3 4.35Å; K136-W242 HydrophobicContact CD-CG 4.44Å; K136-W242 HydrophobicContact CD-CH2 4.01Å; K136-W242 HydrophobicContact CD-CZ2 3.54Å; K136-W242 HydrophobicContact CD-CZ3 4.4Å; L138-W242 HydrophobicContact CB-CE3 4.02Å; L138-W242 HydrophobicContact CB-CZ3 4.09Å; A215-W242 PolarHBondContact O-NE1 2.87Å; M221-W242 HydrophobicContact CG-CH2 3.76Å; M221-W242 HydrophobicContact CG-CZ2 4.15Å; M221-W242 HydrophobicContact SD-CH2 3.76Å; M221-W242 HydrophobicContact SD-CZ2 3.62Å; V223-W242 HydrophobicContact CB-CH2 3.97Å; V223-W242 HydrophobicContact CB-CZ3 4.33Å; V223-W242 HydrophobicContact CG2-CH2 3.49Å; V223-W242 VanDerWaalsContact CG2-CH2 3.49Å; V223-W242 HydrophobicContact CG2-CZ2 4.35Å; V223-W242 HydrophobicContact CG2-CZ3 4.27Å; I238-W242 HydrophobicContact CG2-CD2 3.42Å; I238-W242 VanDerWaalsContact CG2-CD2 3.42Å; I238-W242 HydrophobicContact CG2-CE3 3.5Å; I238-W242 HydrophobicContact CG2-CG 4.09Å; I238-W242 HydrophobicContact CG2-CH2 3.79Å; I238-W242 HydrophobicContact CG2-CZ2 3.7Å; I238-W242 HydrophobicContact CG2-CZ3 3.69Å; I238-W242 WeakPolarHBondContact O-CB 3.48Å; I238-W242 PolarHBondContact O-N 3.5Å; F239-W242 PolarHBondContact O-N 3.06Å; F239-W242 VanDerWaalsContact O-N 3.13Å; W242-G244 VanDerWaalsContact C-N 3.26Å; W242-G244 PolarHBondContact O-N 3.06Å; W242-N245 PolarHBondContact O-N 3.3Å; W242-N248 PolarHBondContact O-ND2 3.38Å |
| 243 | A | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -31 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | F239 N245 L280 V282 K283 M284 | F239-A243 HydrophobicContact CE1-CB 4.25Å; F239-A243 HydrophobicContact CE2-CB 4.22Å; F239-A243 HydrophobicContact CZ-CB 4.05Å; F239-A243 WeakPolarHBondContact O-CB 3.31Å; F239-A243 PolarHBondContact O-N 3.35Å; A243-N245 VanDerWaalsContact C-N 3.29Å; A243-N245 PolarHBondContact O-N 3.02Å; A243-L280 HydrophobicContact CB-CD1 4.19Å; A243-L280 HydrophobicContact CB-CD2 3.97Å; A243-L280 HydrophobicContact CB-CG 4.15Å; A243-V282 HydrophobicContact CB-CG2 4.48Å; A243-K283 PolarHBondContact O-N 2.92Å; A243-M284 HydrophobicContact CB-SD 4.21Å; A243-M284 PolarHBondContact O-N 3.43Å |
| 244 | G | 94.8 | Very high | 94.4 | Very high | 46 Ų | 46 | 36 Ų | 36 | 47% | 0.474 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | W242 | W242-G244 VanDerWaalsContact C-N 3.26Å; W242-G244 PolarHBondContact O-N 3.06Å |
| 245 | N | 95.5 | Very high | 94.1 | Very high | 77 Ų | 77 | 38.3 Ų | 38.3 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | trans | -109.6 | 120.5 | -177.1 | -176.7 | -16.9 | 0 | 0 | 0 | 111.5 | W242 A243 K247 N248 M284 | W242-N245 PolarHBondContact O-N 3.3Å; A243-N245 VanDerWaalsContact C-N 3.29Å; A243-N245 PolarHBondContact O-N 3.02Å; N245-K247 VanDerWaalsContact C-N 3.25Å; N245-K247 PolarHBondContact O-N 3.49Å; N245-K247 WeakPolarHBondContact OD1-CB 2.98Å; N245-K247 PolarHBondContact OD1-N 3.44Å; N245-N248 WeakPolarHBondContact O-CB 3.48Å; N245-N248 PolarHBondContact O-N 2.85Å; N245-N248 VanDerWaalsContact O-N 3.11Å; N245-M284 WeakPolarHBondContact O-CA 3.32Å; N245-M284 WeakPolarHBondContact O-CB 3.38Å | ||
| 246 | E | 96.4 | Very high | 93.7 | Very high | 134 Ų | 134 | 38.6 Ų | 38.6 | 63% | 0.626 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -23.8 | -177.5 | -66.5 | 174.6 | -172.4 | 0 | 0 | 114 | N248 K283 | E246-N248 PolarHBondContact O-N 2.89Å; E246-K283 HydrophobicContact CG-CB 3.69Å; E246-K283 HydrophobicContact CG-CD 4.46Å |
| 247 | K | 96.4 | Very high | 93.3 | Very high | 119 Ų | 119 | 41.6 Ų | 41.6 | 52% | 0.517 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -25.9 | 175.8 | -63.3 | -173.8 | 178.4 | -174.2 | 0 | 111.9 | R133 G135 N245 | R133-K247 PolarHBondContact NE-O 3.03Å; R133-K247 PolarHBondContact NH2-O 2.78Å; R133-K247 VanDerWaalsContact NH2-O 3.1Å; G135-K247 WeakPolarHBondContact CA-O 3.39Å; N245-K247 VanDerWaalsContact C-N 3.25Å; N245-K247 PolarHBondContact O-N 3.49Å; N245-K247 WeakPolarHBondContact OD1-CB 2.98Å; N245-K247 PolarHBondContact OD1-N 3.44Å |
| 248 | N | 97.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | trans | -77.9 | 161.3 | -176.1 | -63.2 | -16.9 | 0 | 0 | 0 | 111.7 | K136 W242 N245 E246 M284 Q285 | K136-N248 WeakPolarHBondContact CB-OD1 3.38Å; K136-N248 PolarHBondContact N-OD1 2.84Å; K136-N248 CarbonylContact O-C 3.52Å; K136-N248 VanDerWaalsContact O-CA 3.25Å; K136-N248 WeakPolarHBondContact O-CA 3.35Å; K136-N248 WeakPolarHBondContact O-CB 3.3Å; W242-N248 PolarHBondContact O-ND2 3.38Å; N245-N248 WeakPolarHBondContact O-CB 3.48Å; N245-N248 PolarHBondContact O-N 2.85Å; N245-N248 VanDerWaalsContact O-N 3.11Å; E246-N248 PolarHBondContact O-N 2.89Å; N248-M284 HydrophobicContact CB-CB 3.99Å; N248-M284 HydrophobicContact CB-CE 3.81Å; N248-M284 WeakPolarHBondContact O-CB 3.49Å; N248-Q285 PolarHBondContact O-N 3.36Å | ||
| 249 | M | 97.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 141.3 | 176.8 | -176.7 | 178 | 57.9 | 0 | 0 | 110.8 | K126 T130 K136 V137 L138 I251 M284 Q285 E287 | K126-M249 HydrophobicContact CB-CE 4.08Å; K126-M249 HydrophobicContact CB-SD 4.1Å; K126-M249 WeakPolarHBondContact O-CE 3.35Å; T130-M249 HydrophobicContact CG2-CB 3.93Å; T130-M249 HydrophobicContact CG2-CE 4.39Å; T130-M249 VanDerWaalsContact OG1-CE 3.23Å; T130-M249 WeakPolarHBondContact OG1-CE 3.24Å; K136-M249 PolarHBondContact O-N 3.24Å; V137-M249 CarbonylContact C-O 3.13Å; V137-M249 WeakPolarHBondContact CA-O 3.19Å; V137-M249 HydrophobicContact CG1-CE 3.93Å; V137-M249 HydrophobicContact CG2-CE 3.97Å; L138-M249 PolarHBondContact N-O 2.85Å; M249-I251 HydrophobicContact CE-CD1 3.52Å; M249-I251 HydrophobicContact CE-CG1 3.65Å; M249-I251 HydrophobicContact CG-CG1 4.19Å; M249-I251 HydrophobicContact SD-CD1 4.37Å; M249-I251 HydrophobicContact SD-CG1 4.01Å; M249-M284 WeakPolarHBondContact O-CE 3.35Å; M249-Q285 CarbonylContact C-O 3.53Å; M249-Q285 VanDerWaalsContact CA-O 3.31Å; M249-Q285 WeakPolarHBondContact CA-O 3.39Å; M249-Q285 HydrophobicContact CB-CB 4.17Å; M249-Q285 HydrophobicContact CG-CB 3.99Å; M249-E287 HydrophobicContact CG-CG 4.35Å; M249-E287 HydrophobicContact SD-CB 4.46Å; M249-E287 HydrophobicContact SD-CG 3.93Å |
| 250 | V | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.4 | 166.8 | 61 | 0 | 0 | 0 | 0 | 108.3 | L138 P140 L230 F239 M252 I265 M284 Q285 V286 E287 | L138-V250 HydrophobicContact CB-CB 4.44Å; L138-V250 HydrophobicContact CB-CG2 4.31Å; L138-V250 HydrophobicContact CD2-CG2 4.24Å; L138-V250 HydrophobicContact CG-CG2 4.27Å; L138-V250 WeakPolarHBondContact O-CA 3.22Å; P140-V250 HydrophobicContact CG-CG2 3.9Å; L230-V250 HydrophobicContact CD1-CG2 4.41Å; F239-V250 HydrophobicContact CE2-CG1 4.17Å; V250-M252 HydrophobicContact CG2-SD 3.91Å; V250-I265 HydrophobicContact CG1-CD1 4.11Å; V250-M284 HydrophobicContact CB-CE 3.78Å; V250-M284 HydrophobicContact CB-SD 4.04Å; V250-M284 HydrophobicContact CG1-CE 4.21Å; V250-M284 HydrophobicContact CG1-CG 4.38Å; V250-M284 HydrophobicContact CG1-SD 3.96Å; V250-Q285 PolarHBondContact N-O 3.05Å; V250-V286 HydrophobicContact CG1-CB 4.11Å; V250-V286 HydrophobicContact CG1-CG1 4.07Å; V250-V286 HydrophobicContact CG1-CG2 3.77Å; V250-E287 PolarHBondContact O-N 3.21Å |
| 251 | I | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.6 | 174.3 | -57.8 | 178.8 | 0 | 0 | 0 | 107.8 | F123 V127 V137 L138 P140 M249 P253 E287 M289 | F123-I251 HydrophobicContact CD2-CD1 3.86Å; F123-I251 HydrophobicContact CD2-CG2 4.3Å; F123-I251 HydrophobicContact CE2-CD1 3.77Å; F123-I251 HydrophobicContact CE2-CG2 4.33Å; V127-I251 HydrophobicContact CG2-CD1 3.58Å; V137-I251 HydrophobicContact CG1-CD1 4.12Å; V137-I251 HydrophobicContact CG1-CG1 4.3Å; L138-I251 PolarHBondContact O-N 3.34Å; P140-I251 WeakPolarHBondContact CD-O 3.26Å; M249-I251 HydrophobicContact CE-CD1 3.52Å; M249-I251 HydrophobicContact CE-CG1 3.65Å; M249-I251 HydrophobicContact CG-CG1 4.19Å; M249-I251 HydrophobicContact SD-CD1 4.37Å; M249-I251 HydrophobicContact SD-CG1 4.01Å; I251-P253 VanDerWaalsContact O-CD 3.29Å; I251-P253 WeakPolarHBondContact O-CD 3.3Å; I251-E287 CarbonylContact C-O 3.57Å; I251-E287 WeakPolarHBondContact CA-O 3.36Å; I251-E287 HydrophobicContact CG1-CB 4.47Å; I251-M289 HydrophobicContact CD1-SD 4.47Å; I251-M289 HydrophobicContact CG2-CB 4.11Å; I251-M289 HydrophobicContact CG2-CG 3.98Å; I251-M289 HydrophobicContact CG2-SD 3.88Å |
| 252 | M | 94.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 107.6 | 173.7 | -59.3 | -57.3 | -67.6 | 0 | 0 | 109.1 | P140 G228 L230 V250 C256 I265 L266 E287 Y288 M289 | P140-M252 HydrophobicContact CB-CE 4.47Å; P140-M252 HydrophobicContact CB-SD 4.3Å; P140-M252 HydrophobicContact CG-CE 4.5Å; P140-M252 HydrophobicContact CG-SD 3.75Å; G228-M252 WeakPolarHBondContact O-CE 3.42Å; L230-M252 HydrophobicContact CD1-CE 4.15Å; L230-M252 HydrophobicContact CD1-SD 3.79Å; L230-M252 HydrophobicContact CG-CE 4.25Å; L230-M252 HydrophobicContact CG-SD 4.31Å; V250-M252 HydrophobicContact CG2-SD 3.91Å; M252-C256 WeakPolarHBondContact CE-SG 3.44Å; M252-I265 HydrophobicContact SD-CD1 4.43Å; M252-L266 HydrophobicContact CB-CD1 4.02Å; M252-L266 HydrophobicContact CB-CD2 4.05Å; M252-L266 HydrophobicContact CB-CG 4.38Å; M252-L266 HydrophobicContact CG-CD1 4.13Å; M252-L266 HydrophobicContact CG-CD2 3.85Å; M252-L266 HydrophobicContact CG-CG 4.06Å; M252-E287 PolarHBondContact N-O 3.45Å; M252-Y288 HydrophobicContact CB-CD2 4.44Å; M252-M289 PolarHBondContact O-N 2.91Å |
| 253 | P | 90.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | trans | -85.3 | -7.4 | -171.4 | 32.5 | -32.7 | 0 | 0 | 0 | 114 | I139 P140 V141 L150 I251 M289 F291 S292 | I139-P253 HydrophobicContact CG2-CG 4.29Å; P140-P253 WeakPolarHBondContact O-CD 3.32Å; P140-P253 WeakPolarHBondContact O-CG 3.35Å; V141-P253 HydrophobicContact CG1-CG 3.71Å; L150-P253 HydrophobicContact CD1-CB 3.87Å; L150-P253 HydrophobicContact CD1-CG 4.36Å; I251-P253 VanDerWaalsContact O-CD 3.29Å; I251-P253 WeakPolarHBondContact O-CD 3.3Å; P253-M289 CarbonylContact C-O 3.53Å; P253-M289 WeakPolarHBondContact CA-O 3.41Å; P253-F291 HydrophobicContact CB-CB 4.04Å; P253-F291 CarbonylContact O-C 3.6Å; P253-F291 VanDerWaalsContact O-C 3.24Å; P253-F291 VanDerWaalsContact O-CA 3.28Å; P253-F291 WeakPolarHBondContact O-CA 3.31Å; P253-F291 WeakPolarHBondContact O-CB 3.33Å; P253-F291 PolarHBondContact O-N 3.43Å; P253-S292 PolarHBondContact O-N 3.37Å | ||
| 254 | G | 85.8 | Confident | 91.8 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -150.2 | 176.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 255 | Y | 83.3 | Confident | 91.8 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 27% | 0.271 | 23% | 0.23 | S | C | . | . | trans | -60.3 | 140.6 | 179.1 | -177.4 | -101.3 | 0 | 0 | 0 | 111.6 | Y108 V257 E318 | Y108-Y255 WeakPolarHBondContact OH-CB 3.39Å; Y108-Y255 PolarHBondContact OH-N 2.74Å; Y108-Y255 VanDerWaalsContact OH-N 3.13Å; Y255-V257 HydrophobicContact CD1-CG2 4.29Å; Y255-V257 HydrophobicContact CE1-CB 4.41Å; Y255-V257 HydrophobicContact CE1-CG2 3.91Å; Y255-E318 WeakPolarHBondContact CE2-OE1 3.35Å; Y255-E318 PolarHBondContact OH-OE1 3.41Å | ||
| 256 | C | 85.6 | Confident | 91.6 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | trans | -118.7 | 119.7 | 172.8 | -68.8 | 0 | 0 | 0 | 0 | 109.3 | M252 H263 L266 | M252-C256 WeakPolarHBondContact CE-SG 3.44Å; C256-H263 HydrophobicContact CB-CB 3.96Å; C256-H263 PolarHBondContact O-ND1 2.92Å; C256-L266 HydrophobicContact CB-CD1 4.42Å | ||
| 257 | V | 84.3 | Confident | 91.4 | Very high | 74 Ų | 74 | 40.3 Ų | 40.3 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | trans | -60 | 141.6 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | M229 Y255 G259 T260 H263 | M229-V257 HydrophobicContact CE-CG2 4.47Å; M229-V257 HydrophobicContact SD-CB 4.13Å; M229-V257 HydrophobicContact SD-CG2 3.84Å; Y255-V257 HydrophobicContact CD1-CG2 4.29Å; Y255-V257 HydrophobicContact CE1-CB 4.41Å; Y255-V257 HydrophobicContact CE1-CG2 3.91Å; V257-G259 PolarHBondContact O-N 2.64Å; V257-T260 HydrophobicContact CB-CG2 4.34Å; V257-T260 WeakPolarHBondContact O-CB 3.16Å; V257-T260 WeakPolarHBondContact O-CG2 3.43Å; V257-T260 PolarHBondContact O-N 2.8Å; V257-T260 PolarHBondContact O-OG1 2.88Å; V257-H263 WeakPolarHBondContact O-CB 3.4Å | ||
| 258 | Q | 83.9 | Confident | 91.2 | Very high | 160 Ų | 160 | 36.5 Ų | 36.5 | 75% | 0.748 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 138.1 | 176.4 | -168.9 | 176.7 | 3.3 | 0 | 0 | 111.1 | ||
| 259 | G | 85.6 | Confident | 90.9 | Very high | 56 Ų | 56 | 40.1 Ų | 40.1 | 58% | 0.577 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.8 | -19.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V257 | V257-G259 PolarHBondContact O-N 2.64Š|
| 260 | T | 90.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 12% | 0.117 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -71.6 | 155.2 | 174.4 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | M229 H231 V257 G262 H263 K264 | M229-T260 HydrophobicContact CB-CG2 4.07Å; M229-T260 HydrophobicContact SD-CG2 4.19Å; H231-T260 HydrophobicContact CB-CG2 4.48Å; V257-T260 HydrophobicContact CB-CG2 4.34Å; V257-T260 WeakPolarHBondContact O-CB 3.16Å; V257-T260 WeakPolarHBondContact O-CG2 3.43Å; V257-T260 PolarHBondContact O-N 2.8Å; V257-T260 PolarHBondContact O-OG1 2.88Å; T260-G262 VanDerWaalsContact C-N 3.26Å; T260-G262 PolarHBondContact O-N 2.92Å; T260-H263 PolarHBondContact O-N 3.23Å; T260-H263 WeakPolarHBondContact OG1-CB 3.32Å; T260-H263 PolarHBondContact OG1-N 2.8Å; T260-K264 WeakPolarHBondContact O-CG 3.44Å; T260-K264 PolarHBondContact O-N 2.83Å; T260-K264 VanDerWaalsContact O-N 3.11Å |
| 261 | V | 92.1 | Very high | 90.5 | Very high | 22 Ų | 22 | 52.4 Ų | 52.4 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 174.2 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | L230 L236 F239 H263 K264 I265 L272 | L230-V261 HydrophobicContact CB-CB 4.06Å; L230-V261 HydrophobicContact CB-CG1 4.22Å; L230-V261 WeakPolarHBondContact O-CB 3.37Å; L230-V261 WeakPolarHBondContact O-CG2 3.43Å; L236-V261 HydrophobicContact CD1-CG1 4.35Å; L236-V261 HydrophobicContact CD1-CG2 4.38Å; F239-V261 HydrophobicContact CE1-CG1 4.23Å; V261-H263 VanDerWaalsContact C-N 3.32Å; V261-H263 PolarHBondContact O-N 2.88Å; V261-K264 PolarHBondContact O-N 3.47Å; V261-I265 PolarHBondContact O-N 3.44Å; V261-I265 VanDerWaalsContact O-N 3.09Å; V261-L272 HydrophobicContact CG1-CD1 3.87Å |
| 262 | G | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.9 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M229 T260 I265 L266 | M229-G262 PolarHBondContact O-N 2.86Å; M229-G262 VanDerWaalsContact O-N 3.11Å; T260-G262 VanDerWaalsContact C-N 3.26Å; T260-G262 PolarHBondContact O-N 2.92Å; G262-I265 WeakPolarHBondContact O-CG1 3.38Å; G262-L266 WeakPolarHBondContact O-CB 3.38Å; G262-L266 WeakPolarHBondContact O-CG 3.31Å; G262-L266 PolarHBondContact O-N 3.42Å |
| 263 | H | 92 | Very high | 89.8 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.6 | -175 | 89.5 | 0 | 0 | 0 | 112 | C256 V257 T260 V261 I265 L266 S267 | C256-H263 HydrophobicContact CB-CB 3.96Å; C256-H263 PolarHBondContact O-ND1 2.92Å; V257-H263 WeakPolarHBondContact O-CB 3.4Å; T260-H263 PolarHBondContact O-N 3.23Å; T260-H263 WeakPolarHBondContact OG1-CB 3.32Å; T260-H263 PolarHBondContact OG1-N 2.8Å; V261-H263 VanDerWaalsContact C-N 3.32Å; V261-H263 PolarHBondContact O-N 2.88Å; H263-I265 PolarHBondContact O-N 3.39Å; H263-L266 PolarHBondContact O-N 3.05Å; H263-S267 PolarHBondContact O-N 2.94Å; H263-S267 PolarHBondContact O-OG 3.39Å; H263-S267 VanDerWaalsContact O-OG 3.07Å |
| 264 | K | 92.8 | Very high | 89.3 | Confident | 80 Ų | 80 | 61 Ų | 61 | 35% | 0.348 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 179.7 | -70.6 | 177.6 | -175.9 | -177.5 | 0 | 112.7 | T260 V261 S267 Q269 L272 | T260-K264 WeakPolarHBondContact O-CG 3.44Å; T260-K264 PolarHBondContact O-N 2.83Å; T260-K264 VanDerWaalsContact O-N 3.11Å; V261-K264 PolarHBondContact O-N 3.47Å; K264-S267 PolarHBondContact O-N 3.24Å; K264-Q269 HydrophobicContact CB-CB 4.34Å; K264-Q269 WeakPolarHBondContact O-CB 3.43Å; K264-Q269 PolarHBondContact O-N 3.08Å; K264-Q269 VanDerWaalsContact O-N 3.08Å; K264-L272 HydrophobicContact CB-CD2 3.88Å; K264-L272 HydrophobicContact CD-CD2 4.25Å |
| 265 | I | 94.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.5 | -34.5 | -178.8 | 62.7 | 174.2 | 0 | 0 | 0 | 112.6 | L230 F239 V250 M252 V261 G262 H263 S267 G268 L272 V282 V286 | L230-I265 HydrophobicContact CD1-CD1 3.6Å; F239-I265 HydrophobicContact CE2-CD1 4.03Å; F239-I265 HydrophobicContact CZ-CD1 4.17Å; F239-I265 HydrophobicContact CZ-CG2 3.97Å; V250-I265 HydrophobicContact CG1-CD1 4.11Å; M252-I265 HydrophobicContact SD-CD1 4.43Å; V261-I265 PolarHBondContact O-N 3.44Å; V261-I265 VanDerWaalsContact O-N 3.09Å; G262-I265 WeakPolarHBondContact O-CG1 3.38Å; H263-I265 PolarHBondContact O-N 3.39Å; I265-S267 VanDerWaalsContact C-N 3.33Å; I265-G268 PolarHBondContact O-N 3.42Å; I265-G268 VanDerWaalsContact O-N 3.17Å; I265-L272 HydrophobicContact CG2-CD1 3.65Å; I265-L272 HydrophobicContact CG2-CD2 4.16Å; I265-L272 HydrophobicContact CG2-CG 4.32Å; I265-V282 HydrophobicContact CG2-CG2 4.34Å; I265-V286 HydrophobicContact CB-CG1 4.19Å; I265-V286 HydrophobicContact CB-CG2 4.41Å; I265-V286 HydrophobicContact CD1-CG1 3.98Å; I265-V286 HydrophobicContact CD1-CG2 4.49Å; I265-V286 HydrophobicContact CG1-CG1 3.96Å |
| 266 | L | 92.5 | Very high | 88.4 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 29% | 0.293 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 175.4 | -73.3 | -179.7 | 0 | 0 | 0 | 111.7 | M252 C256 G262 H263 G268 V286 Y288 | M252-L266 HydrophobicContact CB-CD1 4.02Å; M252-L266 HydrophobicContact CB-CD2 4.05Å; M252-L266 HydrophobicContact CB-CG 4.38Å; M252-L266 HydrophobicContact CG-CD1 4.13Å; M252-L266 HydrophobicContact CG-CD2 3.85Å; M252-L266 HydrophobicContact CG-CG 4.06Å; C256-L266 HydrophobicContact CB-CD1 4.42Å; G262-L266 WeakPolarHBondContact O-CB 3.38Å; G262-L266 WeakPolarHBondContact O-CG 3.31Å; G262-L266 PolarHBondContact O-N 3.42Å; H263-L266 PolarHBondContact O-N 3.05Å; L266-G268 PolarHBondContact O-N 3.2Å; L266-G268 VanDerWaalsContact O-N 3.15Å; L266-V286 HydrophobicContact CD2-CG1 3.96Å; L266-Y288 HydrophobicContact CD1-CD2 4.04Å |
| 267 | S | 91.9 | Very high | 87.8 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 61% | 0.608 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 5.3 | 173.3 | -59.7 | 0 | 0 | 0 | 0 | 113.8 | H263 K264 I265 | H263-S267 PolarHBondContact O-N 2.94Å; H263-S267 PolarHBondContact O-OG 3.39Å; H263-S267 VanDerWaalsContact O-OG 3.07Å; K264-S267 PolarHBondContact O-N 3.24Å; I265-S267 VanDerWaalsContact C-N 3.33Å |
| 268 | G | 91.8 | Very high | 87.7 | Confident | 40 Ų | 40 | 82.7 Ų | 82.7 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 2.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | I265 L266 R270 | I265-G268 PolarHBondContact O-N 3.42Å; I265-G268 VanDerWaalsContact O-N 3.17Å; L266-G268 PolarHBondContact O-N 3.2Å; L266-G268 VanDerWaalsContact O-N 3.15Å; G268-R270 PolarHBondContact O-N 3.46Å; G268-R270 PolarHBondContact O-NH1 3.47Å |
| 269 | Q | 92.9 | Very high | 87.9 | Confident | 83 Ų | 83 | 79.6 Ų | 79.6 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | trans | -67.8 | 116.6 | 179 | -169.1 | 171.3 | 1.2 | 0 | 0 | 110.7 | K264 K271 L272 | K264-Q269 HydrophobicContact CB-CB 4.34Å; K264-Q269 WeakPolarHBondContact O-CB 3.43Å; K264-Q269 PolarHBondContact O-N 3.08Å; K264-Q269 VanDerWaalsContact O-N 3.08Å; Q269-K271 VanDerWaalsContact CG-O 3.3Å; Q269-K271 WeakPolarHBondContact CG-O 2.86Å; Q269-K271 PolarHBondContact NE2-O 2.94Å; Q269-L272 HydrophobicContact CB-CD2 4.34Å; Q269-L272 HydrophobicContact CG-CD2 3.97Å | ||
| 270 | R | 92.6 | Very high | 88.2 | Confident | 122 Ų | 122 | 78.2 Ų | 78.2 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | trans | -98.2 | -17.9 | -179.3 | -63.9 | -68.2 | 178.1 | -93.8 | 2 | 114.2 | G268 V282 | G268-R270 PolarHBondContact O-N 3.46Å; G268-R270 PolarHBondContact O-NH1 3.47Å; R270-V282 VanDerWaalsContact CD-O 3.26Å; R270-V282 WeakPolarHBondContact CD-O 3.38Å; R270-V282 PolarHBondContact O-N 2.76Å | ||
| 271 | K | 93.1 | Very high | 88.4 | Confident | 137 Ų | 137 | 81.8 Ų | 81.8 | 60% | 0.596 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 116 | 173.8 | -66.2 | -176.1 | -178.7 | -178.7 | 0 | 109 | Q269 V279 | Q269-K271 VanDerWaalsContact CG-O 3.3Å; Q269-K271 WeakPolarHBondContact CG-O 2.86Å; Q269-K271 PolarHBondContact NE2-O 2.94Å; K271-V279 HydrophobicContact CB-CG1 4.11Å |
| 272 | L | 90.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 80.9 Ų | 80.9 | 2% | 0.021 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.3 | -178.2 | -61.3 | 170.5 | 0 | 0 | 0 | 109.6 | F239 V261 K264 I265 Q269 M274 V279 L280 V282 | F239-L272 HydrophobicContact CE1-CD1 3.76Å; F239-L272 HydrophobicContact CZ-CD1 4.19Å; V261-L272 HydrophobicContact CG1-CD1 3.87Å; K264-L272 HydrophobicContact CB-CD2 3.88Å; K264-L272 HydrophobicContact CD-CD2 4.25Å; I265-L272 HydrophobicContact CG2-CD1 3.65Å; I265-L272 HydrophobicContact CG2-CD2 4.16Å; I265-L272 HydrophobicContact CG2-CG 4.32Å; Q269-L272 HydrophobicContact CB-CD2 4.34Å; Q269-L272 HydrophobicContact CG-CD2 3.97Å; L272-M274 HydrophobicContact CB-SD 4.03Å; L272-M274 PolarHBondContact O-N 3.04Å; L272-V279 WeakPolarHBondContact O-CA 3.49Å; L272-L280 HydrophobicContact CB-CB 4.45Å; L272-L280 PolarHBondContact N-O 2.95Å; L272-L280 PolarHBondContact O-N 2.73Å; L272-V282 HydrophobicContact CD1-CG2 3.7Å; L272-V282 HydrophobicContact CG-CG2 4.09Å |
| 273 | E | 87.1 | Confident | 88.7 | Confident | 162 Ų | 162 | 85.4 Ų | 85.4 | 76% | 0.757 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 120.6 | 166.4 | -69.6 | -176.5 | 177.5 | 0 | 0 | 109.2 | ||
| 274 | M | 81.1 | Confident | 89 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 11% | 0.113 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 165 | 177.4 | -53.4 | -57.4 | -74.9 | 0 | 0 | 109.8 | L236 R240 L272 G276 R277 Q278 L280 | L236-M274 HydrophobicContact CD1-CE 3.83Å; L236-M274 HydrophobicContact CD2-CE 4.35Å; L236-M274 HydrophobicContact CG-CE 4.37Å; R240-M274 HydrophobicContact CG-CE 3.95Å; L272-M274 HydrophobicContact CB-SD 4.03Å; L272-M274 PolarHBondContact O-N 3.04Å; M274-G276 PolarHBondContact O-N 3.18Å; M274-R277 PolarHBondContact O-N 3.03Å; M274-Q278 WeakPolarHBondContact CB-O 3.39Å; M274-Q278 PolarHBondContact N-O 3.38Å; M274-L280 HydrophobicContact CG-CB 3.92Å |
| 275 | E | 75.3 | Confident | 89.2 | Confident | 168 Ų | 168 | 82.9 Ų | 82.9 | 79% | 0.785 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 132.7 | 172.8 | -69.4 | 174.7 | 157.2 | 0 | 0 | 110.8 | ||
| 276 | G | 74.1 | Confident | 89.3 | Confident | 74 Ų | 74 | 84 Ų | 84 | 76% | 0.763 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 19.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | M274 Q278 | M274-G276 PolarHBondContact O-N 3.18Å; G276-Q278 PolarHBondContact O-N 2.97Å; G276-Q278 VanDerWaalsContact O-N 3.17Å |
| 277 | R | 73.9 | Confident | 89.4 | Confident | 242 Ų | 242 | 84 Ų | 84 | 91% | 0.913 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 19 | 179.7 | -60.9 | -176.9 | 175.9 | 173.4 | -0.9 | 114.4 | M274 | M274-R277 PolarHBondContact O-N 3.03Š|
| 278 | Q | 81.3 | Confident | 89.5 | Confident | 139 Ų | 139 | 84.6 Ų | 84.6 | 65% | 0.65 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 128.4 | 172.3 | -71.1 | -173.5 | -10.6 | 0 | 0 | 109.8 | M274 G276 | M274-Q278 WeakPolarHBondContact CB-O 3.39Å; M274-Q278 PolarHBondContact N-O 3.38Å; G276-Q278 PolarHBondContact O-N 2.97Å; G276-Q278 VanDerWaalsContact O-N 3.17Å |
| 279 | V | 88.1 | Confident | 89.4 | Confident | 95 Ų | 95 | 83.2 Ų | 83.2 | 58% | 0.576 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 116.9 | 174.8 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | K271 L272 | K271-V279 HydrophobicContact CB-CG1 4.11Å; L272-V279 WeakPolarHBondContact O-CA 3.49Å |
| 280 | L | 91.8 | Very high | 89.2 | Confident | 28 Ų | 28 | 80.1 Ų | 80.1 | 15% | 0.147 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 119.6 | 173.2 | -177.7 | 68.7 | 0 | 0 | 0 | 109.6 | F239 R240 A243 L272 M274 | F239-L280 HydrophobicContact CD1-CD2 4.03Å; F239-L280 HydrophobicContact CE1-CD2 3.73Å; R240-L280 HydrophobicContact CG-CD2 4.22Å; A243-L280 HydrophobicContact CB-CD1 4.19Å; A243-L280 HydrophobicContact CB-CD2 3.97Å; A243-L280 HydrophobicContact CB-CG 4.15Å; L272-L280 HydrophobicContact CB-CB 4.45Å; L272-L280 PolarHBondContact N-O 2.95Å; L272-L280 PolarHBondContact O-N 2.73Å; M274-L280 HydrophobicContact CG-CB 3.92Å |
| 281 | E | 94.6 | Very high | 88.9 | Confident | 93 Ų | 93 | 74.8 Ų | 74.8 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.3 | 172.6 | -168.9 | 173.8 | -148.1 | 0 | 0 | 110.5 | K283 | E281-K283 HydrophobicContact CG-CG 4.09Å; E281-K283 PolarHBondContact O-N 3.23Å; E281-K283 WeakPolarHBondContact OE2-CE 3.3Å; E281-K283 IonicContact OE2-NZ 3.54Å; E281-K283 PolarHBondContact OE2-NZ 2.84Å |
| 282 | V | 96 | Very high | 88.5 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.024 | 34% | 0.338 | C | S | . | . | trans | -93.3 | 97.9 | -179.9 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | F239 A243 I265 R270 L272 M284 V286 | F239-V282 HydrophobicContact CE1-CG2 4.35Å; F239-V282 HydrophobicContact CE2-CG1 4.45Å; F239-V282 HydrophobicContact CZ-CG1 4.09Å; F239-V282 HydrophobicContact CZ-CG2 3.82Å; A243-V282 HydrophobicContact CB-CG2 4.48Å; I265-V282 HydrophobicContact CG2-CG2 4.34Å; R270-V282 VanDerWaalsContact CD-O 3.26Å; R270-V282 WeakPolarHBondContact CD-O 3.38Å; R270-V282 PolarHBondContact O-N 2.76Å; L272-V282 HydrophobicContact CD1-CG2 3.7Å; L272-V282 HydrophobicContact CG-CG2 4.09Å; V282-M284 HydrophobicContact CG1-CG 4.02Å; V282-V286 HydrophobicContact CG1-CG2 3.93Å | ||
| 283 | K | 96.3 | Very high | 88.2 | Confident | 94 Ų | 94 | 68.8 Ų | 68.8 | 41% | 0.409 | 34% | 0.339 | S | S | . | . | trans | -98.2 | -22.3 | 175 | -56.6 | -169.2 | -178.5 | 178.4 | 0 | 112.9 | A243 E246 E281 | A243-K283 PolarHBondContact O-N 2.92Å; E246-K283 HydrophobicContact CG-CB 3.69Å; E246-K283 HydrophobicContact CG-CD 4.46Å; E281-K283 HydrophobicContact CG-CG 4.09Å; E281-K283 PolarHBondContact O-N 3.23Å; E281-K283 WeakPolarHBondContact OE2-CE 3.3Å; E281-K283 IonicContact OE2-NZ 3.54Å; E281-K283 PolarHBondContact OE2-NZ 2.84Å | ||
| 284 | M | 96.7 | Very high | 88.4 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -61.5 | 154.5 | 176.4 | 76 | -178.5 | -47.2 | 0 | 0 | 111.9 | F239 A243 N245 N248 M249 V250 V282 | F239-M284 HydrophobicContact CD2-SD 3.77Å; F239-M284 HydrophobicContact CE2-SD 3.55Å; F239-M284 VanDerWaalsContact CE2-SD 3.55Å; A243-M284 HydrophobicContact CB-SD 4.21Å; A243-M284 PolarHBondContact O-N 3.43Å; N245-M284 WeakPolarHBondContact O-CA 3.32Å; N245-M284 WeakPolarHBondContact O-CB 3.38Å; N248-M284 HydrophobicContact CB-CB 3.99Å; N248-M284 HydrophobicContact CB-CE 3.81Å; N248-M284 WeakPolarHBondContact O-CB 3.49Å; M249-M284 WeakPolarHBondContact O-CE 3.35Å; V250-M284 HydrophobicContact CB-CE 3.78Å; V250-M284 HydrophobicContact CB-SD 4.04Å; V250-M284 HydrophobicContact CG1-CE 4.21Å; V250-M284 HydrophobicContact CG1-CG 4.38Å; V250-M284 HydrophobicContact CG1-SD 3.96Å; V282-M284 HydrophobicContact CG1-CG 4.02Å |
| 285 | Q | 97 | Very high | 88.9 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 135.2 | 174.3 | -66.1 | 176.8 | -5.3 | 0 | 0 | 110.4 | R133 N248 M249 V250 | R133-Q285 VanDerWaalsContact NH2-CD 3.34Å; N248-Q285 PolarHBondContact O-N 3.36Å; M249-Q285 CarbonylContact C-O 3.53Å; M249-Q285 VanDerWaalsContact CA-O 3.31Å; M249-Q285 WeakPolarHBondContact CA-O 3.39Å; M249-Q285 HydrophobicContact CB-CB 4.17Å; M249-Q285 HydrophobicContact CG-CB 3.99Å; V250-Q285 PolarHBondContact N-O 3.05Å |
| 286 | V | 96.6 | Very high | 89.8 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 113.6 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | V250 I265 L266 V282 | V250-V286 HydrophobicContact CG1-CB 4.11Å; V250-V286 HydrophobicContact CG1-CG1 4.07Å; V250-V286 HydrophobicContact CG1-CG2 3.77Å; I265-V286 HydrophobicContact CB-CG1 4.19Å; I265-V286 HydrophobicContact CB-CG2 4.41Å; I265-V286 HydrophobicContact CD1-CG1 3.98Å; I265-V286 HydrophobicContact CD1-CG2 4.49Å; I265-V286 HydrophobicContact CG1-CG1 3.96Å; L266-V286 HydrophobicContact CD2-CG1 3.96Å; V282-V286 HydrophobicContact CG1-CG2 3.93Å |
| 287 | E | 95.4 | Very high | 90.7 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 27% | 0.271 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.3 | -175.4 | -73.9 | -67.2 | 157.3 | 0 | 0 | 110.6 | K126 M249 V250 I251 M252 | K126-E287 HydrophobicContact CD-CG 4.03Å; K126-E287 IonicContact NZ-OE2 3.81Å; K126-E287 PolarHBondContact NZ-OE2 2.83Å; M249-E287 HydrophobicContact CG-CG 4.35Å; M249-E287 HydrophobicContact SD-CB 4.46Å; M249-E287 HydrophobicContact SD-CG 3.93Å; V250-E287 PolarHBondContact O-N 3.21Å; I251-E287 CarbonylContact C-O 3.57Å; I251-E287 WeakPolarHBondContact CA-O 3.36Å; I251-E287 HydrophobicContact CG1-CB 4.47Å; M252-E287 PolarHBondContact N-O 3.45Å |
| 288 | Y | 92.9 | Very high | 91.7 | Very high | 99 Ų | 99 | 46.1 Ų | 46.1 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.4 | 168.1 | 177.2 | -110.4 | 0 | 0 | 0 | 109.7 | M252 L266 | M252-Y288 HydrophobicContact CB-CD2 4.44Å; L266-Y288 HydrophobicContact CD1-CD2 4.04Å |
| 289 | M | 91 | Very high | 92.4 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | trans | -129.5 | 119.5 | 172.5 | -66.7 | -172.6 | 177 | 0 | 0 | 109.5 | F123 K126 I251 M252 P253 F291 | F123-M289 VanDerWaalsContact CA-SD 3.56Å; F123-M289 HydrophobicContact CB-SD 3.66Å; F123-M289 HydrophobicContact CD2-SD 3.65Å; F123-M289 HydrophobicContact CG-SD 4.15Å; K126-M289 HydrophobicContact CB-CE 4.01Å; K126-M289 HydrophobicContact CD-CE 3.32Å; K126-M289 HydrophobicContact CG-CE 3.82Å; I251-M289 HydrophobicContact CD1-SD 4.47Å; I251-M289 HydrophobicContact CG2-CB 4.11Å; I251-M289 HydrophobicContact CG2-CG 3.98Å; I251-M289 HydrophobicContact CG2-SD 3.88Å; M252-M289 PolarHBondContact O-N 2.91Å; P253-M289 CarbonylContact C-O 3.53Å; P253-M289 WeakPolarHBondContact CA-O 3.41Å; M289-F291 VanDerWaalsContact C-N 3.27Å; M289-F291 HydrophobicContact CB-CD2 3.66Å; M289-F291 HydrophobicContact CB-CE2 3.69Å; M289-F291 HydrophobicContact CG-CE2 4.45Å; M289-F291 PolarHBondContact O-N 3.16Å; M289-F291 HydrophobicContact SD-CE2 3.96Å | ||
| 290 | S | 87.3 | Confident | 92.8 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 13% | 0.133 | 17% | 0.165 | C | C | . | . | trans | -73.4 | 79.1 | -177.1 | -166.7 | 0 | 0 | 0 | 0 | 111.2 | R113 R119 | R113-S290 PolarHBondContact NE-OG 2.96Å; R119-S290 WeakPolarHBondContact CD-O 3.46Å; R119-S290 PolarHBondContact NH1-O 2.76Å | ||
| 291 | F | 88.1 | Confident | 93 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 4% | 0.044 | 16% | 0.162 | C | C | . | . | trans | -99.2 | 16.5 | 170 | -77.1 | -79.4 | 0 | 0 | 0 | 112.2 | R119 E120 F123 R146 L150 P253 M289 | R119-F291 HydrophobicContact CB-CE1 4.48Å; R119-F291 HydrophobicContact CB-CZ 4.27Å; E120-F291 HydrophobicContact CG-CE1 4.29Å; F123-F291 HydrophobicContact CB-CE2 3.62Å; F123-F291 HydrophobicContact CB-CZ 3.49Å; F123-F291 VanDerWaalsContact CB-CZ 3.49Å; F123-F291 HydrophobicContact CD1-CZ 4.47Å; F123-F291 AromaticContact CD2-CE2 3.82Å; F123-F291 HydrophobicContact CD2-CE2 3.82Å; F123-F291 HydrophobicContact CD2-CZ 4.31Å; F123-F291 AromaticContact CG-CE2 3.83Å; F123-F291 HydrophobicContact CG-CE2 3.83Å; F123-F291 AromaticContact CG-CZ 3.86Å; F123-F291 HydrophobicContact CG-CZ 3.86Å; R146-F291 WeakPolarHBondContact CD-O 3.35Å; R146-F291 WeakPolarHBondContact CG-O 3.19Å; L150-F291 HydrophobicContact CD2-CB 4.42Å; L150-F291 HydrophobicContact CD2-CD1 3.79Å; L150-F291 HydrophobicContact CD2-CD2 4.16Å; L150-F291 HydrophobicContact CD2-CE1 4.02Å; L150-F291 HydrophobicContact CD2-CE2 4.37Å; L150-F291 HydrophobicContact CD2-CG 3.86Å; L150-F291 HydrophobicContact CD2-CZ 4.31Å; P253-F291 HydrophobicContact CB-CB 4.04Å; P253-F291 CarbonylContact O-C 3.6Å; P253-F291 VanDerWaalsContact O-C 3.24Å; P253-F291 VanDerWaalsContact O-CA 3.28Å; P253-F291 WeakPolarHBondContact O-CA 3.31Å; P253-F291 WeakPolarHBondContact O-CB 3.33Å; P253-F291 PolarHBondContact O-N 3.43Å; M289-F291 VanDerWaalsContact C-N 3.27Å; M289-F291 HydrophobicContact CB-CD2 3.66Å; M289-F291 HydrophobicContact CB-CE2 3.69Å; M289-F291 HydrophobicContact CG-CE2 4.45Å; M289-F291 PolarHBondContact O-N 3.16Å; M289-F291 HydrophobicContact SD-CE2 3.96Å | ||
| 292 | S | 83.9 | Confident | 93.1 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | trans | -55.9 | 144.2 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 112.8 | Y108 R113 P253 H294 | Y108-S292 WeakPolarHBondContact CE2-OG 3.31Å; Y108-S292 WeakPolarHBondContact OH-CB 3.24Å; Y108-S292 PolarHBondContact OH-OG 2.66Å; R113-S292 PolarHBondContact NH1-O 3.44Å; R113-S292 VanDerWaalsContact NH1-O 3.08Å; R113-S292 PolarHBondContact NH2-OG 3.27Å; P253-S292 PolarHBondContact O-N 3.37Å; S292-H294 VanDerWaalsContact C-N 3.33Å; S292-H294 PolarHBondContact OG-CD2 2.82Å; S292-H294 VanDerWaalsContact OG-CD2 3.26Å; S292-H294 PolarHBondContact OG-N 3Å | ||
| 293 | A | 84.7 | Confident | 93.1 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | trans | -88.5 | 2.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H59 N82 R146 | H59-A293 VanDerWaalsContact ND1-C 3.3Å; H59-A293 WeakPolarHBondContact ND1-CB 3.47Å; H59-A293 PolarHBondContact ND1-O 2.91Å; H59-A293 WeakPolarHBondContact O-CB 3.45Å; N82-A293 VanDerWaalsContact CB-O 3.3Å; N82-A293 WeakPolarHBondContact CB-O 3.41Å; R146-A293 HydrophobicContact CG-CB 4.16Å | ||
| 294 | H | 91.1 | Very high | 93.2 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 15% | 0.148 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -85.5 | 159.7 | -179.6 | -66.7 | -97.7 | 0 | 0 | 0 | 111 | H59 D80 Y81 E105 T107 Y108 R113 S292 | H59-H294 AromaticContact CE1-CD2 3.74Å; H59-H294 AromaticContact CE1-CE1 3.65Å; H59-H294 AromaticContact CE1-ND1 3.93Å; H59-H294 AromaticContact CE1-NE2 3.53Å; D80-H294 IonicContact OD1-CE1 3.11Å; D80-H294 IonicContact OD1-ND1 3.86Å; D80-H294 IonicContact OD2-CE1 3.83Å; D80-H294 PolarHBondContact OD2-CE1 2.93Å; D80-H294 IonicContact OD2-ND1 3.23Å; Y81-H294 CarbonylContact O-C 3.24Å; Y81-H294 VanDerWaalsContact O-C 3.3Å; E105-H294 IonicContact OE1-ND1 2.8Å; E105-H294 IonicContact OE2-CE1 2.74Å; E105-H294 IonicContact OE2-CG 3.42Å; E105-H294 IonicContact OE2-ND1 2.64Å; E105-H294 PolarHBondContact OE2-ND1 2.8Å; T107-H294 HydrophobicContact CG2-CB 4.42Å; T107-H294 PolarHBondContact OG1-ND1 3.44Å; Y108-H294 HydrophobicContact CD2-CB 3.71Å; Y108-H294 HydrophobicContact CE2-CB 3.92Å; R113-H294 PolarHBondContact NH1-O 2.96Å; R113-H294 PolarHBondContact NH2-O 2.92Å; S292-H294 VanDerWaalsContact C-N 3.33Å; S292-H294 PolarHBondContact OG-CD2 2.82Å; S292-H294 VanDerWaalsContact OG-CD2 3.26Å; S292-H294 PolarHBondContact OG-N 3Å |
| 295 | A | 91.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | trans | -66.6 | 136.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y81 E105 Y108 I300 | Y81-A295 HydrophobicContact CD2-CB 3.86Å; Y81-A295 HydrophobicContact CE1-CB 4.2Å; Y81-A295 HydrophobicContact CE2-CB 3.48Å; Y81-A295 VanDerWaalsContact CE2-CB 3.48Å; Y81-A295 HydrophobicContact CG-CB 4.38Å; Y81-A295 PolarHBondContact O-N 3.08Å; E105-A295 PolarHBondContact OE1-N 2.86Å; Y108-A295 WeakPolarHBondContact CB-O 3.21Å; A295-I300 HydrophobicContact CB-CG1 3.72Å | ||
| 296 | D | 93.1 | Very high | 93.1 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -86.4 | 174.7 | 170.3 | 74.3 | -14.1 | 0 | 0 | 0 | 110.4 | T111 R113 K298 G299 I300 | T111-D296 WeakPolarHBondContact O-CB 3.35Å; R113-D296 HydrophobicContact CG-CB 4Å; R113-D296 PolarHBondContact N-OD2 3.43Å; R113-D296 VanDerWaalsContact N-OD2 3.14Å; D296-K298 PolarHBondContact O-N 3.4Å; D296-K298 VanDerWaalsContact O-N 3.09Å; D296-K298 PolarHBondContact OD1-N 2.93Å; D296-G299 PolarHBondContact O-N 3Å; D296-G299 PolarHBondContact OD1-N 3.48Å; D296-I300 WeakPolarHBondContact O-CG1 3.37Å; D296-I300 PolarHBondContact O-N 3.19Å |
| 297 | A | 93.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.1 | -34.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y108 A109 T111 I112 M301 | Y108-A297 PolarHBondContact O-N 3Å; A109-A297 VanDerWaalsContact O-CB 3.25Å; A109-A297 WeakPolarHBondContact O-CB 3.47Å; T111-A297 WeakPolarHBondContact O-CB 3.36Å; T111-A297 PolarHBondContact O-N 3.08Å; I112-A297 HydrophobicContact CG1-CB 4.39Å; A297-M301 WeakPolarHBondContact O-CG 3.46Å; A297-M301 PolarHBondContact O-N 3.22Å |
| 298 | K | 94.5 | Very high | 93.1 | Very high | 144 Ų | 144 | 30.4 Ų | 30.4 | 63% | 0.626 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -70.6 | -45.5 | 176.5 | -175.7 | 179.3 | 178.1 | 179.1 | 0 | 111.6 | D296 I300 M301 Q302 | D296-K298 PolarHBondContact O-N 3.4Å; D296-K298 VanDerWaalsContact O-N 3.09Å; D296-K298 PolarHBondContact OD1-N 2.93Å; K298-I300 VanDerWaalsContact C-N 3.33Å; K298-I300 PolarHBondContact O-N 2.86Å; K298-M301 PolarHBondContact O-N 3.4Å; K298-Q302 WeakPolarHBondContact O-CB 3.36Å; K298-Q302 PolarHBondContact O-N 3.35Å |
| 299 | G | 95.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 26 Ų | 26 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | M83 D296 Q302 L303 | M83-G299 VanDerWaalsContact CG-O 3.31Å; M83-G299 WeakPolarHBondContact CG-O 3.36Å; D296-G299 PolarHBondContact O-N 3Å; D296-G299 PolarHBondContact OD1-N 3.48Å; G299-Q302 PolarHBondContact O-N 3.44Å; G299-L303 PolarHBondContact O-N 2.82Å |
| 300 | I | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -51.3 | 178.1 | -59.9 | 161.7 | 0 | 0 | 0 | 110.7 | Y81 T104 A295 D296 K298 Q302 L303 V304 L325 | Y81-I300 VanDerWaalsContact OH-CA 3.3Å; Y81-I300 WeakPolarHBondContact OH-CA 3.27Å; Y81-I300 WeakPolarHBondContact OH-CG1 3.44Å; T104-I300 HydrophobicContact CG2-CG2 4.26Å; A295-I300 HydrophobicContact CB-CG1 3.72Å; D296-I300 WeakPolarHBondContact O-CG1 3.37Å; D296-I300 PolarHBondContact O-N 3.19Å; K298-I300 VanDerWaalsContact C-N 3.33Å; K298-I300 PolarHBondContact O-N 2.86Å; I300-Q302 VanDerWaalsContact C-N 3.26Å; I300-Q302 PolarHBondContact O-N 2.78Å; I300-L303 PolarHBondContact O-N 2.73Å; I300-V304 HydrophobicContact CG2-CG2 4.4Å; I300-V304 WeakPolarHBondContact O-CG2 2.91Å; I300-V304 PolarHBondContact O-N 3.33Å; I300-L325 HydrophobicContact CD1-CD2 3.98Å; I300-L325 HydrophobicContact CG2-CD1 4.43Å; I300-L325 HydrophobicContact CG2-CD2 3.97Å |
| 301 | M | 96.7 | Very high | 93.9 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -38.2 | 177 | -66.5 | -62.9 | -67.3 | 0 | 0 | 112.4 | A297 K298 G305 L325 K328 I329 E332 L333 | A297-M301 WeakPolarHBondContact O-CG 3.46Å; A297-M301 PolarHBondContact O-N 3.22Å; K298-M301 PolarHBondContact O-N 3.4Å; M301-G305 PolarHBondContact O-N 3.44Å; M301-L325 HydrophobicContact SD-CD1 4.12Å; M301-K328 HydrophobicContact CE-CD 4.45Å; M301-K328 HydrophobicContact CE-CG 4.03Å; M301-K328 HydrophobicContact CG-CD 4.26Å; M301-K328 HydrophobicContact SD-CD 4.2Å; M301-K328 HydrophobicContact SD-CG 4.15Å; M301-I329 HydrophobicContact CE-CG1 4.4Å; M301-I329 HydrophobicContact SD-CG1 3.51Å; M301-I329 VanDerWaalsContact SD-CG1 3.51Å; M301-E332 HydrophobicContact CE-CB 3.84Å; M301-E332 HydrophobicContact CE-CG 4.39Å; M301-E332 WeakPolarHBondContact CE-OE2 3.38Å; M301-L333 HydrophobicContact CE-CD1 3.87Å; M301-L333 HydrophobicContact CE-CG 3.86Å; M301-L333 HydrophobicContact SD-CD1 4.49Å |
| 302 | Q | 96.2 | Very high | 94.4 | Very high | 99 Ų | 99 | 30.3 Ų | 30.3 | 46% | 0.463 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.5 | -44.6 | 177.2 | -175.1 | -175.8 | -21.9 | 0 | 0 | 112 | M83 K298 G299 I300 G305 Q306 | M83-Q302 HydrophobicContact CE-CB 4.24Å; M83-Q302 HydrophobicContact CE-CG 3.77Å; K298-Q302 WeakPolarHBondContact O-CB 3.36Å; K298-Q302 PolarHBondContact O-N 3.35Å; G299-Q302 PolarHBondContact O-N 3.44Å; I300-Q302 VanDerWaalsContact C-N 3.26Å; I300-Q302 PolarHBondContact O-N 2.78Å; Q302-G305 PolarHBondContact O-N 3.06Å; Q302-Q306 VanDerWaalsContact O-CB 3.3Å; Q302-Q306 WeakPolarHBondContact O-CB 3.49Å; Q302-Q306 PolarHBondContact O-N 3.09Å |
| 303 | L | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | 179 | -170.8 | 83 | 0 | 0 | 0 | 111 | M65 T78 Y81 M83 I94 G299 I300 G305 Q306 A307 | M65-L303 HydrophobicContact CE-CD1 4.25Å; M65-L303 HydrophobicContact SD-CD1 4.13Å; M65-L303 HydrophobicContact SD-CD2 4.02Å; T78-L303 HydrophobicContact CG2-CD2 3.64Å; Y81-L303 HydrophobicContact CD1-CD2 4.44Å; Y81-L303 HydrophobicContact CD2-CD2 4Å; Y81-L303 HydrophobicContact CE1-CD2 4Å; Y81-L303 HydrophobicContact CE2-CB 3.79Å; Y81-L303 HydrophobicContact CE2-CD1 4.42Å; Y81-L303 HydrophobicContact CE2-CD2 3.5Å; Y81-L303 HydrophobicContact CE2-CG 4.08Å; Y81-L303 HydrophobicContact CG-CD2 4.43Å; Y81-L303 VanDerWaalsContact CZ-CD2 3.47Å; M83-L303 HydrophobicContact CE-CB 4.37Å; M83-L303 HydrophobicContact CE-CD1 4.22Å; M83-L303 HydrophobicContact SD-CB 4.11Å; M83-L303 HydrophobicContact SD-CD1 3.67Å; M83-L303 HydrophobicContact SD-CG 4.49Å; I94-L303 HydrophobicContact CB-CD1 4.29Å; I94-L303 HydrophobicContact CG2-CD1 3.63Å; I94-L303 HydrophobicContact CG2-CG 4.39Å; G299-L303 PolarHBondContact O-N 2.82Å; I300-L303 PolarHBondContact O-N 2.73Å; L303-G305 VanDerWaalsContact C-N 3.35Å; L303-G305 PolarHBondContact O-N 2.8Å; L303-Q306 PolarHBondContact O-N 3.36Å; L303-A307 WeakPolarHBondContact O-CB 3.24Å; L303-A307 PolarHBondContact O-N 3.33Å |
| 304 | V | 97.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 177.3 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | L102 I300 Q306 A307 E308 P309 V312 L333 | L102-V304 HydrophobicContact CD2-CB 4.32Å; L102-V304 HydrophobicContact CD2-CG1 4.49Å; L102-V304 HydrophobicContact CD2-CG2 3.89Å; I300-V304 HydrophobicContact CG2-CG2 4.4Å; I300-V304 WeakPolarHBondContact O-CG2 2.91Å; I300-V304 PolarHBondContact O-N 3.33Å; V304-Q306 VanDerWaalsContact C-N 3.3Å; V304-Q306 PolarHBondContact O-N 2.84Å; V304-A307 PolarHBondContact O-N 2.93Å; V304-E308 PolarHBondContact O-N 3.37Å; V304-P309 HydrophobicContact CG1-CG 3.96Å; V304-P309 WeakPolarHBondContact O-CD 3.4Å; V304-V312 HydrophobicContact CG1-CG2 3.67Å; V304-V312 HydrophobicContact CG2-CG2 4.42Å; V304-L333 HydrophobicContact CB-CD1 3.76Å; V304-L333 HydrophobicContact CG1-CD1 3.43Å; V304-L333 VanDerWaalsContact CG1-CD1 3.43Å |
| 305 | G | 96.5 | Very high | 95.8 | Very high | 34 Ų | 34 | 29 Ų | 29 | 35% | 0.351 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.7 | -30.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | M301 Q302 L303 E308 | M301-G305 PolarHBondContact O-N 3.44Å; Q302-G305 PolarHBondContact O-N 3.06Å; L303-G305 VanDerWaalsContact C-N 3.35Å; L303-G305 PolarHBondContact O-N 2.8Å; G305-E308 WeakPolarHBondContact O-CG 3.49Å |
| 306 | Q | 95.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 32.8 Ų | 32.8 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -76.1 | -39.3 | 176.9 | -178.5 | 170 | -8.5 | 0 | 0 | 112.5 | I94 Q302 L303 V304 | I94-Q306 HydrophobicContact CG2-CB 4.41Å; I94-Q306 HydrophobicContact CG2-CG 3.98Å; I94-Q306 PolarHBondContact O-NE2 3.43Å; Q302-Q306 VanDerWaalsContact O-CB 3.3Å; Q302-Q306 WeakPolarHBondContact O-CB 3.49Å; Q302-Q306 PolarHBondContact O-N 3.09Å; L303-Q306 PolarHBondContact O-N 3.36Å; V304-Q306 VanDerWaalsContact C-N 3.3Å; V304-Q306 PolarHBondContact O-N 2.84Å |
| 307 | A | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -75.7 | -29.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I94 R98 L102 L303 V304 | I94-A307 HydrophobicContact CD1-CB 4.19Å; I94-A307 HydrophobicContact CG2-CB 4.41Å; R98-A307 VanDerWaalsContact CA-O 3.23Å; R98-A307 WeakPolarHBondContact CA-O 3.36Å; R98-A307 PolarHBondContact N-O 2.93Å; L102-A307 HydrophobicContact CD2-CB 4.31Å; L303-A307 WeakPolarHBondContact O-CB 3.24Å; L303-A307 PolarHBondContact O-N 3.33Å; V304-A307 PolarHBondContact O-N 2.93Å |
| 308 | E | 96.6 | Very high | 95.3 | Very high | 76 Ų | 76 | 37.1 Ų | 37.1 | 36% | 0.355 | 19% | 0.193 | S | C | . | . | trans | 50.2 | 57.7 | -174.4 | -69.3 | -173.2 | -176.1 | 0 | 0 | 113.6 | K96 R98 V304 G305 | K96-E308 WeakPolarHBondContact CE-OE1 3.5Å; K96-E308 WeakPolarHBondContact CE-OE2 3.46Å; K96-E308 IonicContact NZ-OE1 3.72Å; K96-E308 PolarHBondContact NZ-OE1 3.36Å; K96-E308 IonicContact NZ-OE2 2.74Å; K96-E308 PolarHBondContact NZ-OE2 3.07Å; R98-E308 WeakPolarHBondContact CA-O 3.41Å; R98-E308 HydrophobicContact CG-CB 3.96Å; R98-E308 IonicContact CZ-OE2 3.69Å; R98-E308 IonicContact NE-OE2 3.17Å; R98-E308 PolarHBondContact NE-OE2 3.39Å; R98-E308 IonicContact NH2-OE2 3.62Å; R98-E308 PolarHBondContact NH2-OE2 3.14Å; V304-E308 PolarHBondContact O-N 3.37Å; G305-E308 WeakPolarHBondContact O-CG 3.49Å | ||
| 309 | P | 96.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.039 | 19% | 0.19 | C | C | . | . | trans | -73.2 | 155.9 | -179.2 | 33.7 | -36.8 | 0 | 0 | 0 | 112.6 | P99 L102 V304 V312 V335 | P99-P309 HydrophobicContact CG-CB 3.96Å; P99-P309 CarbonylContact O-C 3.59Å; P99-P309 WeakPolarHBondContact O-CA 3.44Å; L102-P309 HydrophobicContact CB-CB 3.66Å; L102-P309 HydrophobicContact CB-CG 3.83Å; L102-P309 HydrophobicContact CD2-CG 4Å; V304-P309 HydrophobicContact CG1-CG 3.96Å; V304-P309 WeakPolarHBondContact O-CD 3.4Å; P309-V312 HydrophobicContact CG-CG2 3.64Å; P309-V335 HydrophobicContact CG-CG1 4.47Å; P309-V335 WeakPolarHBondContact O-CG1 3.16Å | ||
| 310 | E | 95.3 | Very high | 95 | Very high | 117 Ų | 117 | 42.4 Ų | 42.4 | 55% | 0.547 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -73.4 | -30.5 | 171.2 | -59.6 | -178.1 | 165 | 0 | 0 | 112.1 | P99 N100 | P99-E310 PolarHBondContact O-N 2.85Å; N100-E310 PolarHBondContact ND2-OE2 3.14Å |
| 311 | S | 96.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 148.2 | 177.3 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | N100 L101 L102 N336 | N100-S311 PolarHBondContact O-N 3.14Å; L101-S311 WeakPolarHBondContact CA-O 3.36Å; L102-S311 PolarHBondContact N-O 3.47Å; S311-N336 WeakPolarHBondContact CA-O 3.43Å |
| 312 | V | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | L102 T104 V304 P309 L314 I329 V335 N336 C337 Y338 | L102-V312 CarbonylContact O-C 3.51Å; L102-V312 WeakPolarHBondContact O-CA 3.28Å; T104-V312 HydrophobicContact CG2-CG1 3.97Å; V304-V312 HydrophobicContact CG1-CG2 3.67Å; V304-V312 HydrophobicContact CG2-CG2 4.42Å; P309-V312 HydrophobicContact CG-CG2 3.64Å; V312-L314 HydrophobicContact CG1-CD2 4.07Å; V312-I329 HydrophobicContact CG1-CD1 4.2Å; V312-I329 HydrophobicContact CG2-CG2 4.34Å; V312-V335 HydrophobicContact CG2-CG1 3.94Å; V312-N336 PolarHBondContact N-O 2.8Å; V312-C337 HydrophobicContact CB-CB 4.49Å; V312-C337 CarbonylContact O-C 3.54Å; V312-C337 WeakPolarHBondContact O-CA 3.3Å; V312-Y338 WeakPolarHBondContact O-CD2 3.34Å; V312-Y338 PolarHBondContact O-N 3.43Å |
| 313 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 116.6 | 173 | -168.4 | 160.1 | 0 | 0 | 0 | 109.2 | V6 L101 L102 I103 T104 V315 Y338 P340 V346 | V6-L313 HydrophobicContact CB-CD1 4.1Å; V6-L313 HydrophobicContact CG1-CD1 4.07Å; L101-L313 HydrophobicContact CD1-CB 3.87Å; L102-L313 PolarHBondContact O-N 3Å; I103-L313 WeakPolarHBondContact CA-O 3.42Å; I103-L313 HydrophobicContact CG1-CB 4.33Å; I103-L313 HydrophobicContact CG2-CD2 4.23Å; T104-L313 PolarHBondContact N-O 3.44Å; L313-V315 HydrophobicContact CD2-CG1 3.31Å; L313-Y338 CarbonylContact C-O 3.57Å; L313-Y338 WeakPolarHBondContact CA-O 3.25Å; L313-P340 HydrophobicContact CD1-CG 4.09Å; L313-P340 HydrophobicContact CD2-CG 3.83Å; L313-P340 HydrophobicContact CG-CG 4.01Å; L313-V346 HydrophobicContact CD1-CB 4.25Å; L313-V346 HydrophobicContact CD1-CG2 4.14Å |
| 314 | L | 96.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 126.5 | 178.4 | -59.1 | -177.8 | 0 | 0 | 0 | 109.9 | T104 V312 M322 L325 K326 I329 Y338 M339 | T104-L314 HydrophobicContact CG2-CD2 3.77Å; V312-L314 HydrophobicContact CG1-CD2 4.07Å; L314-M322 HydrophobicContact CB-SD 4.25Å; L314-M322 HydrophobicContact CD1-CB 4.29Å; L314-M322 WeakPolarHBondContact CD1-O 3.22Å; L314-L325 HydrophobicContact CD1-CB 4.23Å; L314-L325 HydrophobicContact CD1-CD2 4.09Å; L314-L325 HydrophobicContact CD1-CG 4.17Å; L314-L325 HydrophobicContact CD2-CD2 3.86Å; L314-L325 HydrophobicContact CD2-CG 4.45Å; L314-K326 HydrophobicContact CD1-CB 4.13Å; L314-I329 HydrophobicContact CD2-CD1 4.03Å; L314-Y338 PolarHBondContact N-O 2.84Å; L314-M339 HydrophobicContact CB-CB 4.4Å |
| 315 | V | 94.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 171.8 | 172.5 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | L15 I103 T104 E105 S106 L313 G317 | L15-V315 HydrophobicContact CD1-CG1 4.4Å; I103-V315 HydrophobicContact CG2-CG1 3.88Å; I103-V315 HydrophobicContact CG2-CG2 3.88Å; T104-V315 PolarHBondContact O-N 3.49Å; E105-V315 CarbonylContact C-O 3.52Å; E105-V315 WeakPolarHBondContact CA-O 3.42Å; S106-V315 PolarHBondContact N-O 2.9Å; S106-V315 PolarHBondContact OG-O 3.33Å; L313-V315 HydrophobicContact CD2-CG1 3.31Å; V315-G317 PolarHBondContact O-N 3.29Å |
| 316 | H | 90.4 | Very high | 94.6 | Very high | 79 Ų | 79 | 49.3 Ų | 49.3 | 37% | 0.366 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 54.2 | 58.2 | 170.1 | -161.2 | -82.2 | 0 | 0 | 0 | 113.3 | D80 E105 S106 T107 | D80-H316 IonicContact OD1-ND1 3.87Å; E105-H316 HydrophobicContact CB-CB 4.36Å; S106-H316 CarbonylContact C-O 3.5Å; S106-H316 PolarHBondContact N-O 3.01Å; T107-H316 PolarHBondContact N-O 2.94Å; T107-H316 VanDerWaalsContact N-O 3.14Å; T107-H316 PolarHBondContact OG1-ND1 3.46Å; T107-H316 PolarHBondContact OG1-O 3.22Å |
| 317 | G | 88.7 | Confident | 94.7 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 33% | 0.33 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -160.9 | 170.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S106 V315 M322 | S106-G317 WeakPolarHBondContact OG-CA 3.48Å; S106-G317 PolarHBondContact OG-N 3.09Å; V315-G317 PolarHBondContact O-N 3.29Å; G317-M322 WeakPolarHBondContact O-CE 3.49Å |
| 318 | E | 88.6 | Confident | 94.7 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | trans | -82.1 | 132.1 | 176.4 | -67.9 | 170.1 | -150 | 0 | 0 | 110.5 | Y255 K320 K321 M322 | Y255-E318 WeakPolarHBondContact CE2-OE1 3.35Å; Y255-E318 PolarHBondContact OH-OE1 3.41Å; E318-K320 VanDerWaalsContact C-N 3.35Å; E318-K320 PolarHBondContact O-N 3.21Å; E318-K320 VanDerWaalsContact O-N 3.16Å; E318-K321 HydrophobicContact CB-CB 4.36Å; E318-K321 HydrophobicContact CB-CD 4.19Å; E318-K321 HydrophobicContact CB-CG 4.29Å; E318-K321 WeakPolarHBondContact O-CA 3.13Å; E318-K321 PolarHBondContact O-N 3.4Å; E318-K321 IonicContact OE1-NZ 3.51Å; E318-K321 PolarHBondContact OE1-NZ 3.47Å; E318-K321 WeakPolarHBondContact OE2-CD 3.01Å; E318-K321 WeakPolarHBondContact OE2-CE 3.49Å; E318-K321 IonicContact OE2-NZ 3.78Å; E318-K321 PolarHBondContact OE2-NZ 3.3Å; E318-M322 WeakPolarHBondContact O-CG 3.41Å; E318-M322 PolarHBondContact O-N 3.25Å | ||
| 319 | A | 90.2 | Very high | 94.7 | Very high | 69 Ų | 69 | 48.7 Ų | 48.7 | 57% | 0.57 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -48.2 | -49.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K321 M322 E323 | A319-K321 VanDerWaalsContact C-N 3.31Å; A319-K321 PolarHBondContact O-N 2.94Å; A319-M322 PolarHBondContact O-N 3.06Å; A319-E323 PolarHBondContact O-N 3.23Å |
| 320 | K | 92.7 | Very high | 94.7 | Very high | 189 Ų | 189 | 51.9 Ų | 51.9 | 82% | 0.822 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63 | -35 | 179.2 | -67.5 | -174.9 | 177.9 | -177.8 | 0 | 113.3 | E318 | E318-K320 VanDerWaalsContact C-N 3.35Å; E318-K320 PolarHBondContact O-N 3.21Å; E318-K320 VanDerWaalsContact O-N 3.16Å |
| 321 | K | 93.4 | Very high | 94.8 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -78.3 | -36.1 | 178.9 | -64 | 179.9 | -179.6 | 153.7 | 0 | 111 | A109 T110 E318 A319 F324 L325 | A109-K321 HydrophobicContact CB-CB 4.06Å; A109-K321 WeakPolarHBondContact CB-O 3.38Å; T110-K321 HydrophobicContact CG2-CB 3.85Å; T110-K321 HydrophobicContact CG2-CG 3.89Å; E318-K321 HydrophobicContact CB-CB 4.36Å; E318-K321 HydrophobicContact CB-CD 4.19Å; E318-K321 HydrophobicContact CB-CG 4.29Å; E318-K321 WeakPolarHBondContact O-CA 3.13Å; E318-K321 PolarHBondContact O-N 3.4Å; E318-K321 IonicContact OE1-NZ 3.51Å; E318-K321 PolarHBondContact OE1-NZ 3.47Å; E318-K321 WeakPolarHBondContact OE2-CD 3.01Å; E318-K321 WeakPolarHBondContact OE2-CE 3.49Å; E318-K321 IonicContact OE2-NZ 3.78Å; E318-K321 PolarHBondContact OE2-NZ 3.3Å; A319-K321 VanDerWaalsContact C-N 3.31Å; A319-K321 PolarHBondContact O-N 2.94Å; K321-F324 PolarHBondContact O-N 3.47Å; K321-L325 PolarHBondContact O-N 2.91Å |
| 322 | M | 94.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 173.7 | -69.6 | -167.2 | -65.2 | 0 | 0 | 111.5 | S106 L314 G317 E318 A319 F324 L325 K326 M339 | S106-M322 VanDerWaalsContact OG-CG 3.22Å; S106-M322 WeakPolarHBondContact OG-CG 3.4Å; S106-M322 PolarHBondContact OG-SD 3.5Å; L314-M322 HydrophobicContact CB-SD 4.25Å; L314-M322 HydrophobicContact CD1-CB 4.29Å; L314-M322 WeakPolarHBondContact CD1-O 3.22Å; G317-M322 WeakPolarHBondContact O-CE 3.49Å; E318-M322 WeakPolarHBondContact O-CG 3.41Å; E318-M322 PolarHBondContact O-N 3.25Å; A319-M322 PolarHBondContact O-N 3.06Å; M322-F324 VanDerWaalsContact C-N 3.31Å; M322-F324 PolarHBondContact O-N 2.9Å; M322-L325 PolarHBondContact O-N 3.43Å; M322-L325 VanDerWaalsContact O-N 3.13Å; M322-K326 WeakPolarHBondContact O-CB 3.12Å; M322-K326 PolarHBondContact O-N 3.38Å; M322-M339 HydrophobicContact CB-CB 4.47Å; M322-M339 HydrophobicContact CB-SD 4.22Å |
| 323 | E | 96.3 | Very high | 94.7 | Very high | 65 Ų | 65 | 61 Ų | 61 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 175.9 | -177.6 | 60.9 | -145 | 0 | 0 | 111.8 | A319 L325 K326 Q327 M339 | A319-E323 PolarHBondContact O-N 3.23Å; E323-L325 PolarHBondContact O-N 3.17Å; E323-K326 WeakPolarHBondContact O-CB 3.47Å; E323-K326 PolarHBondContact O-N 2.84Å; E323-Q327 WeakPolarHBondContact O-CG 3.28Å; E323-Q327 PolarHBondContact O-N 2.88Å; E323-Q327 VanDerWaalsContact O-N 3.09Å; E323-Q327 PolarHBondContact OE1-NE2 3.18Å; E323-M339 HydrophobicContact CB-SD 4.29Å; E323-M339 WeakPolarHBondContact OE2-CE 3.26Å |
| 324 | F | 95.9 | Very high | 94.6 | Very high | 107 Ų | 107 | 71.9 Ų | 71.9 | 47% | 0.469 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 175.6 | 175 | -91.9 | 0 | 0 | 0 | 112.5 | T110 K321 M322 K328 | T110-F324 HydrophobicContact CG2-CB 3.94Å; T110-F324 HydrophobicContact CG2-CD1 3.63Å; T110-F324 HydrophobicContact CG2-CE1 4.36Å; T110-F324 HydrophobicContact CG2-CG 3.89Å; K321-F324 PolarHBondContact O-N 3.47Å; M322-F324 VanDerWaalsContact C-N 3.31Å; M322-F324 PolarHBondContact O-N 2.9Å; F324-K328 PolarHBondContact O-N 3.4Å; F324-K328 VanDerWaalsContact O-N 3.13Å |
| 325 | L | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 179.7 | 177.8 | 65.9 | 0 | 0 | 0 | 112 | A109 I300 M301 L314 K321 M322 E323 K328 I329 | A109-L325 HydrophobicContact CB-CB 3.71Å; A109-L325 HydrophobicContact CB-CD2 3.77Å; A109-L325 HydrophobicContact CB-CG 4.32Å; I300-L325 HydrophobicContact CD1-CD2 3.98Å; I300-L325 HydrophobicContact CG2-CD1 4.43Å; I300-L325 HydrophobicContact CG2-CD2 3.97Å; M301-L325 HydrophobicContact SD-CD1 4.12Å; L314-L325 HydrophobicContact CD1-CB 4.23Å; L314-L325 HydrophobicContact CD1-CD2 4.09Å; L314-L325 HydrophobicContact CD1-CG 4.17Å; L314-L325 HydrophobicContact CD2-CD2 3.86Å; L314-L325 HydrophobicContact CD2-CG 4.45Å; K321-L325 PolarHBondContact O-N 2.91Å; M322-L325 PolarHBondContact O-N 3.43Å; M322-L325 VanDerWaalsContact O-N 3.13Å; E323-L325 PolarHBondContact O-N 3.17Å; L325-K328 WeakPolarHBondContact O-CB 2.98Å; L325-K328 PolarHBondContact O-N 2.88Å; L325-I329 HydrophobicContact CD1-CD1 4.25Å; L325-I329 HydrophobicContact CD1-CG1 4.36Å; L325-I329 HydrophobicContact CG-CD1 3.95Å; L325-I329 HydrophobicContact CG-CG1 4.48Å; L325-I329 WeakPolarHBondContact O-CG1 3.47Å; L325-I329 PolarHBondContact O-N 2.74Å |
| 326 | K | 96.9 | Very high | 94.5 | Very high | 51 Ų | 51 | 76.4 Ų | 76.4 | 22% | 0.222 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -55.2 | -54.7 | 173.7 | 175.5 | -172.9 | 167.5 | 176.2 | 0 | 110.5 | L314 M322 E323 K328 I329 E330 C337 M339 | L314-K326 HydrophobicContact CD1-CB 4.13Å; M322-K326 WeakPolarHBondContact O-CB 3.12Å; M322-K326 PolarHBondContact O-N 3.38Å; E323-K326 WeakPolarHBondContact O-CB 3.47Å; E323-K326 PolarHBondContact O-N 2.84Å; K326-K328 PolarHBondContact O-N 2.79Å; K326-I329 PolarHBondContact O-N 3.33Å; K326-I329 VanDerWaalsContact O-N 3.14Å; K326-E330 WeakPolarHBondContact CE-OE1 3.36Å; K326-E330 WeakPolarHBondContact O-CG 3.25Å; K326-E330 PolarHBondContact O-N 3.44Å; K326-C337 WeakPolarHBondContact CE-O 3.32Å; K326-C337 HydrophobicContact CG-CB 3.82Å; K326-M339 HydrophobicContact CD-CG 4.23Å |
| 327 | Q | 96.9 | Very high | 94.8 | Very high | 82 Ų | 82 | 72.8 Ų | 72.8 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.2 | -40.1 | 179 | -69.6 | 173.5 | 11.2 | 0 | 0 | 111.4 | E323 E330 Q331 | E323-Q327 WeakPolarHBondContact O-CG 3.28Å; E323-Q327 PolarHBondContact O-N 2.88Å; E323-Q327 VanDerWaalsContact O-N 3.09Å; E323-Q327 PolarHBondContact OE1-NE2 3.18Å; Q327-E330 PolarHBondContact O-N 2.95Å; Q327-Q331 WeakPolarHBondContact O-CB 3.47Å; Q327-Q331 WeakPolarHBondContact O-CG 3.47Å; Q327-Q331 PolarHBondContact O-N 2.86Å |
| 328 | K | 96.2 | Very high | 95.1 | Very high | 44 Ų | 44 | 74.8 Ų | 74.8 | 19% | 0.191 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 177.5 | -166.9 | 179.8 | -177.1 | -179.6 | 0 | 113 | M301 F324 L325 K326 Q331 E332 | M301-K328 HydrophobicContact CE-CD 4.45Å; M301-K328 HydrophobicContact CE-CG 4.03Å; M301-K328 HydrophobicContact CG-CD 4.26Å; M301-K328 HydrophobicContact SD-CD 4.2Å; M301-K328 HydrophobicContact SD-CG 4.15Å; F324-K328 PolarHBondContact O-N 3.4Å; F324-K328 VanDerWaalsContact O-N 3.13Å; L325-K328 WeakPolarHBondContact O-CB 2.98Å; L325-K328 PolarHBondContact O-N 2.88Å; K326-K328 PolarHBondContact O-N 2.79Å; K328-Q331 PolarHBondContact O-N 3.5Å; K328-E332 WeakPolarHBondContact CE-OE1 3.39Å; K328-E332 HydrophobicContact CG-CG 4.35Å; K328-E332 WeakPolarHBondContact CG-OE1 3.5Å; K328-E332 IonicContact NZ-OE1 3.84Å; K328-E332 WeakPolarHBondContact O-CB 3.46Å; K328-E332 PolarHBondContact O-N 2.88Å |
| 329 | I | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 176.8 | -71.2 | 167.1 | 0 | 0 | 0 | 110.3 | M301 V312 L314 L325 K326 Q331 L333 R334 V335 C337 | M301-I329 HydrophobicContact CE-CG1 4.4Å; M301-I329 HydrophobicContact SD-CG1 3.51Å; M301-I329 VanDerWaalsContact SD-CG1 3.51Å; V312-I329 HydrophobicContact CG1-CD1 4.2Å; V312-I329 HydrophobicContact CG2-CG2 4.34Å; L314-I329 HydrophobicContact CD2-CD1 4.03Å; L325-I329 HydrophobicContact CD1-CD1 4.25Å; L325-I329 HydrophobicContact CD1-CG1 4.36Å; L325-I329 HydrophobicContact CG-CD1 3.95Å; L325-I329 HydrophobicContact CG-CG1 4.48Å; L325-I329 WeakPolarHBondContact O-CG1 3.47Å; L325-I329 PolarHBondContact O-N 2.74Å; K326-I329 PolarHBondContact O-N 3.33Å; K326-I329 VanDerWaalsContact O-N 3.14Å; I329-Q331 PolarHBondContact O-N 3.06Å; I329-L333 WeakPolarHBondContact O-CA 3.4Å; I329-L333 WeakPolarHBondContact O-CB 2.88Å; I329-L333 PolarHBondContact O-N 3.26Å; I329-R334 PolarHBondContact O-N 3.3Å; I329-V335 HydrophobicContact CG2-CB 4.42Å; I329-C337 HydrophobicContact CB-CB 4.39Å; I329-C337 HydrophobicContact CG2-CB 4.08Å |
| 330 | E | 97.1 | Very high | 95.5 | Very high | 73 Ų | 73 | 71.7 Ų | 71.7 | 34% | 0.341 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | -179.9 | -70.7 | 173.3 | 164.4 | 0 | 0 | 111.9 | K326 Q327 R334 V335 C337 | K326-E330 WeakPolarHBondContact CE-OE1 3.36Å; K326-E330 WeakPolarHBondContact O-CG 3.25Å; K326-E330 PolarHBondContact O-N 3.44Å; Q327-E330 PolarHBondContact O-N 2.95Å; E330-R334 VanDerWaalsContact O-CA 3.27Å; E330-R334 WeakPolarHBondContact O-CA 3.42Å; E330-R334 PolarHBondContact O-N 3.25Å; E330-V335 WeakPolarHBondContact CG-O 3.38Å; E330-C337 HydrophobicContact CG-CB 3.96Å |
| 331 | Q | 96.6 | Very high | 95.4 | Very high | 145 Ų | 145 | 65.4 Ų | 65.4 | 68% | 0.678 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -73.7 | -47.3 | -179.4 | -72 | 170.7 | 14 | 0 | 0 | 113.3 | Q327 K328 I329 | Q327-Q331 WeakPolarHBondContact O-CB 3.47Å; Q327-Q331 WeakPolarHBondContact O-CG 3.47Å; Q327-Q331 PolarHBondContact O-N 2.86Å; K328-Q331 PolarHBondContact O-N 3.5Å; I329-Q331 PolarHBondContact O-N 3.06Å |
| 332 | E | 96.4 | Very high | 95 | Very high | 120 Ų | 120 | 68.5 Ų | 68.5 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -85.8 | -38.4 | -172.6 | -66.9 | -177.5 | -162.5 | 0 | 0 | 112.6 | M301 K328 | M301-E332 HydrophobicContact CE-CB 3.84Å; M301-E332 HydrophobicContact CE-CG 4.39Å; M301-E332 WeakPolarHBondContact CE-OE2 3.38Å; K328-E332 WeakPolarHBondContact CE-OE1 3.39Å; K328-E332 HydrophobicContact CG-CG 4.35Å; K328-E332 WeakPolarHBondContact CG-OE1 3.5Å; K328-E332 IonicContact NZ-OE1 3.84Å; K328-E332 WeakPolarHBondContact O-CB 3.46Å; K328-E332 PolarHBondContact O-N 2.88Å |
| 333 | L | 95.3 | Very high | 94.4 | Very high | 56 Ų | 56 | 70 Ų | 70 | 29% | 0.293 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -103.4 | -13.2 | -174.3 | -56.3 | 178.2 | 0 | 0 | 0 | 113.1 | M301 V304 I329 V335 | M301-L333 HydrophobicContact CE-CD1 3.87Å; M301-L333 HydrophobicContact CE-CG 3.86Å; M301-L333 HydrophobicContact SD-CD1 4.49Å; V304-L333 HydrophobicContact CB-CD1 3.76Å; V304-L333 HydrophobicContact CG1-CD1 3.43Å; V304-L333 VanDerWaalsContact CG1-CD1 3.43Å; I329-L333 WeakPolarHBondContact O-CA 3.4Å; I329-L333 WeakPolarHBondContact O-CB 2.88Å; I329-L333 PolarHBondContact O-N 3.26Å; L333-V335 HydrophobicContact CB-CG2 4.17Å; L333-V335 PolarHBondContact O-N 3.06Å |
| 334 | R | 95 | Very high | 93.9 | Very high | 229 Ų | 229 | 71.6 Ų | 71.6 | 86% | 0.864 | 36% | 0.355 | S | S | * | . | trans | 56.1 | 36.8 | -177.9 | -54.9 | -177.9 | 179.5 | -175.8 | -0.9 | 113 | I329 E330 | I329-R334 PolarHBondContact O-N 3.3Å; E330-R334 VanDerWaalsContact O-CA 3.27Å; E330-R334 WeakPolarHBondContact O-CA 3.42Å; E330-R334 PolarHBondContact O-N 3.25Å | ||
| 335 | V | 95.1 | Very high | 93.4 | Very high | 21 Ų | 21 | 69.8 Ų | 69.8 | 13% | 0.127 | 35% | 0.353 | C | S | . | . | trans | -111.8 | 138.2 | 178.2 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | P309 V312 I329 E330 L333 C337 | P309-V335 HydrophobicContact CG-CG1 4.47Å; P309-V335 WeakPolarHBondContact O-CG1 3.16Å; V312-V335 HydrophobicContact CG2-CG1 3.94Å; I329-V335 HydrophobicContact CG2-CB 4.42Å; E330-V335 WeakPolarHBondContact CG-O 3.38Å; L333-V335 HydrophobicContact CB-CG2 4.17Å; L333-V335 PolarHBondContact O-N 3.06Å; V335-C337 PolarHBondContact O-N 3.46Å | ||
| 336 | N | 95.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 70.4 Ų | 70.4 | 51% | 0.508 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 131.3 | 176.1 | -69.3 | -24.1 | 0 | 0 | 0 | 110.4 | S311 V312 Y338 | S311-N336 WeakPolarHBondContact CA-O 3.43Å; V312-N336 PolarHBondContact N-O 2.8Å; N336-Y338 HydrophobicContact CB-CE2 4.01Å |
| 337 | C | 96.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.02 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.5 | -175.5 | -170.8 | 0 | 0 | 0 | 0 | 112 | V312 K326 I329 E330 V335 | V312-C337 HydrophobicContact CB-CB 4.49Å; V312-C337 CarbonylContact O-C 3.54Å; V312-C337 WeakPolarHBondContact O-CA 3.3Å; K326-C337 WeakPolarHBondContact CE-O 3.32Å; K326-C337 HydrophobicContact CG-CB 3.82Å; I329-C337 HydrophobicContact CB-CB 4.39Å; I329-C337 HydrophobicContact CG2-CB 4.08Å; E330-C337 HydrophobicContact CG-CB 3.96Å; V335-C337 PolarHBondContact O-N 3.46Å |
| 338 | Y | 95.5 | Very high | 92 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 29% | 0.29 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 146.1 | -175.4 | -56.6 | -88.4 | 0 | 0 | 0 | 110.3 | V312 L313 L314 N336 V346 L348 | V312-Y338 WeakPolarHBondContact O-CD2 3.34Å; V312-Y338 PolarHBondContact O-N 3.43Å; L313-Y338 CarbonylContact C-O 3.57Å; L313-Y338 WeakPolarHBondContact CA-O 3.25Å; L314-Y338 PolarHBondContact N-O 2.84Å; N336-Y338 HydrophobicContact CB-CE2 4.01Å; Y338-V346 HydrophobicContact CD1-CG1 4.14Å; Y338-V346 HydrophobicContact CG-CG1 4.24Å; Y338-L348 HydrophobicContact CD2-CD2 4.1Å; Y338-L348 HydrophobicContact CE1-CD2 4.34Å; Y338-L348 HydrophobicContact CE2-CD2 3.4Å; Y338-L348 VanDerWaalsContact CE2-CD2 3.4Å |
| 339 | M | 94.3 | Very high | 91.4 | Very high | 63 Ų | 63 | 70.7 Ų | 70.7 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | trans | -137.9 | 64.1 | 175.8 | 56 | 158.7 | -157.6 | 0 | 0 | 110.8 | L314 M322 E323 K326 | L314-M339 HydrophobicContact CB-CB 4.4Å; M322-M339 HydrophobicContact CB-CB 4.47Å; M322-M339 HydrophobicContact CB-SD 4.22Å; E323-M339 HydrophobicContact CB-SD 4.29Å; E323-M339 WeakPolarHBondContact OE2-CE 3.26Å; K326-M339 HydrophobicContact CD-CG 4.23Å | ||
| 340 | P | 92.4 | Very high | 90.5 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 144.8 | -174 | 26.2 | -34.9 | 0 | 0 | 0 | 112.4 | P8 L313 E344 V346 | P8-P340 HydrophobicContact CG-CB 3.95Å; P8-P340 HydrophobicContact CG-CG 3.62Å; L313-P340 HydrophobicContact CD1-CG 4.09Å; L313-P340 HydrophobicContact CD2-CG 3.83Å; L313-P340 HydrophobicContact CG-CG 4.01Å; P340-E344 HydrophobicContact CB-CB 4.11Å; P340-E344 HydrophobicContact CB-CG 4.34Å; P340-V346 HydrophobicContact CB-CG2 3.53Å; P340-V346 HydrophobicContact CG-CG2 3.66Å |
| 341 | A | 90 | Very high | 89.3 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 48% | 0.479 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 163.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G343 E344 | A341-G343 PolarHBondContact O-N 3.08Å; A341-E344 HydrophobicContact CB-CB 4.4Å; A341-E344 PolarHBondContact N-OE2 2.87Å; A341-E344 VanDerWaalsContact O-CB 3.24Å; A341-E344 WeakPolarHBondContact O-CB 3.34Å; A341-E344 PolarHBondContact O-N 2.84Å |
| 342 | N | 86.4 | Confident | 87.8 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 132.4 | 173.3 | -66.6 | -25.8 | 0 | 0 | 0 | 110.4 | P8 G10 E344 | P8-N342 CarbonylContact O-C 3.58Å; P8-N342 WeakPolarHBondContact O-CA 3.49Å; G10-N342 PolarHBondContact N-OD1 2.86Å; N342-E344 PolarHBondContact O-N 2.87Å |
| 343 | G | 81.7 | Confident | 86.2 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 54% | 0.536 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | P8 A341 | P8-G343 PolarHBondContact O-N 2.95Å; A341-G343 PolarHBondContact O-N 3.08Å |
| 344 | E | 85.3 | Confident | 84.9 | Confident | 99 Ų | 99 | 69.4 Ų | 69.4 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 137.4 | 175.9 | -169.8 | -178.2 | 164.6 | 0 | 0 | 110.4 | T7 P8 P340 A341 N342 | T7-E344 WeakPolarHBondContact CA-O 3.37Å; P8-E344 WeakPolarHBondContact CD-O 3.45Å; P340-E344 HydrophobicContact CB-CB 4.11Å; P340-E344 HydrophobicContact CB-CG 4.34Å; A341-E344 HydrophobicContact CB-CB 4.4Å; A341-E344 PolarHBondContact N-OE2 2.87Å; A341-E344 VanDerWaalsContact O-CB 3.24Å; A341-E344 WeakPolarHBondContact O-CB 3.34Å; A341-E344 PolarHBondContact O-N 2.84Å; N342-E344 PolarHBondContact O-N 2.87Å |
| 345 | T | 85.9 | Confident | 83.5 | Confident | 70 Ų | 70 | 63.6 Ų | 63.6 | 43% | 0.429 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -103.6 | 123.4 | 177.8 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | R5 V6 T7 | R5-T345 HydrophobicContact CB-CG2 4.28Å; V6-T345 WeakPolarHBondContact O-CA 3.41Å; T7-T345 PolarHBondContact OG1-OG1 3.34Å |
| 346 | V | 85.6 | Confident | 82.6 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.1 | 173.1 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | R5 V6 L313 Y338 P340 L348 | R5-V346 WeakPolarHBondContact CA-O 3.2Å; V6-V346 PolarHBondContact N-O 3.1Å; V6-V346 PolarHBondContact O-N 3.26Å; L313-V346 HydrophobicContact CD1-CB 4.25Å; L313-V346 HydrophobicContact CD1-CG2 4.14Å; Y338-V346 HydrophobicContact CD1-CG1 4.14Å; Y338-V346 HydrophobicContact CG-CG1 4.24Å; P340-V346 HydrophobicContact CB-CG2 3.53Å; P340-V346 HydrophobicContact CG-CG2 3.66Å; V346-L348 HydrophobicContact CG1-CD2 4.23Å; V346-L348 HydrophobicContact CG1-CG 4.26Å |
| 347 | T | 88.3 | Confident | 81.8 | Confident | 68 Ų | 68 | 63.2 Ų | 63.2 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.5 | 173.8 | -57.9 | 0 | 0 | 0 | 0 | 109.4 | E3 I4 | E3-T347 HydrophobicContact CB-CG2 3.92Å; E3-T347 HydrophobicContact CG-CG2 4.35Å; E3-T347 WeakPolarHBondContact OE2-CG2 3.33Å; I4-T347 WeakPolarHBondContact O-CA 3.35Å |
| 348 | L | 86.1 | Confident | 81.1 | Confident | 9 Ų | 9 | 67 Ų | 67 | 5% | 0.047 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.6 | 176.4 | -61.6 | 167.4 | 0 | 0 | 0 | 109.3 | E3 I4 L101 Y338 V346 T350 | E3-L348 WeakPolarHBondContact CA-O 3.18Å; I4-L348 HydrophobicContact CB-CB 4.39Å; I4-L348 PolarHBondContact N-O 3.04Å; I4-L348 VanDerWaalsContact N-O 3.08Å; I4-L348 PolarHBondContact O-N 3.49Å; L101-L348 HydrophobicContact CB-CD1 4.06Å; L101-L348 HydrophobicContact CD1-CD1 3.49Å; L101-L348 VanDerWaalsContact CD1-CD1 3.49Å; L101-L348 HydrophobicContact CD2-CD1 3.78Å; L101-L348 HydrophobicContact CG-CD1 3.96Å; Y338-L348 HydrophobicContact CD2-CD2 4.1Å; Y338-L348 HydrophobicContact CE1-CD2 4.34Å; Y338-L348 HydrophobicContact CE2-CD2 3.4Å; Y338-L348 VanDerWaalsContact CE2-CD2 3.4Å; V346-L348 HydrophobicContact CG1-CD2 4.23Å; V346-L348 HydrophobicContact CG1-CG 4.26Å; L348-T350 PolarHBondContact O-N 3.26Å |
| 349 | P | 82.5 | Confident | 80.5 | Confident | 106 Ų | 106 | 63.9 Ų | 63.9 | 69% | 0.688 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 126.7 | 173 | 29.7 | -31.5 | 0 | 0 | 0 | 108.8 | ||
| 350 | T | 78.1 | Confident | 79.8 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 5% | 0.049 | 42% | 0.424 | C | S | . | . | trans | -105.6 | 148 | 173.4 | 69.7 | 0 | 0 | 0 | 0 | 110.1 | P2 I4 E73 N100 L348 P352 | P2-T350 WeakPolarHBondContact CG-OG1 3.4Å; P2-T350 PolarHBondContact O-N 3.35Å; P2-T350 PolarHBondContact O-OG1 2.64Å; I4-T350 HydrophobicContact CD1-CG2 3.88Å; I4-T350 HydrophobicContact CG1-CG2 4.04Å; E73-T350 VanDerWaalsContact OE1-CB 3.29Å; E73-T350 WeakPolarHBondContact OE1-CB 3.29Å; E73-T350 PolarHBondContact OE1-OG1 2.91Å; E73-T350 WeakPolarHBondContact OE2-CB 3.38Å; E73-T350 VanDerWaalsContact OE2-CG2 3.3Å; E73-T350 WeakPolarHBondContact OE2-CG2 3.29Å; E73-T350 PolarHBondContact OE2-OG1 3.49Å; N100-T350 HydrophobicContact CB-CG2 4.48Å; L348-T350 PolarHBondContact O-N 3.26Å; T350-P352 WeakPolarHBondContact O-CD 3.02Å | ||
| 351 | S | 72.4 | Confident | 79.3 | Confident | 107 Ų | 107 | 68.6 Ų | 68.6 | 75% | 0.748 | 44% | 0.44 | S | S | * | . | trans | -92.1 | 110.4 | 172.6 | -65.8 | 0 | 0 | 0 | 0 | 107.7 | S353 | S351-S353 PolarHBondContact O-N 3.14Š| ||
| 352 | P | 64.8 | Low | 78.9 | Confident | 74 Ų | 74 | 66 Ų | 66 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | trans | -60 | 116 | -179.6 | 21.2 | -29.2 | 0 | 0 | 0 | 109.1 | P2 T350 I354 | P2-P352 HydrophobicContact CG-CB 4.07Å; P2-P352 HydrophobicContact CG-CG 4.08Å; T350-P352 WeakPolarHBondContact O-CD 3.02Å; P352-I354 PolarHBondContact O-N 3.32Å | ||
| 353 | S | 64 | Low | 78.6 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 61% | 0.608 | 41% | 0.407 | S | S | * | . | trans | -77.9 | 106.7 | 169 | -172 | 0 | 0 | 0 | 0 | 107 | S351 P355 | S351-S353 PolarHBondContact O-N 3.14Å; S353-P355 WeakPolarHBondContact O-CD 3.28Å | ||
| 354 | I | 66.6 | Low | 78.5 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 46% | 0.462 | 41% | 0.412 | S | S | . | . | trans | -84.2 | 107.2 | 174.2 | -60.6 | 176.6 | 0 | 0 | 0 | 107.1 | P352 V356 F392 | P352-I354 PolarHBondContact O-N 3.32Å; I354-V356 PolarHBondContact O-N 3.4Å; I354-V356 VanDerWaalsContact O-N 3.16Å; I354-F392 HydrophobicContact CD1-CZ 4.3Å; I354-F392 HydrophobicContact CG2-CB 4.26Å; I354-F392 HydrophobicContact CG2-CD1 4.06Å; I354-F392 HydrophobicContact CG2-CD2 3.06Å; I354-F392 HydrophobicContact CG2-CE1 4.18Å; I354-F392 HydrophobicContact CG2-CE2 3.21Å; I354-F392 HydrophobicContact CG2-CG 3.53Å; I354-F392 HydrophobicContact CG2-CZ 3.79Å | ||
| 355 | P | 67.6 | Low | 78.1 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 70% | 0.701 | 41% | 0.41 | S | S | * | . | trans | -65.7 | 118.9 | 177.5 | 27.3 | -33.2 | 0 | 0 | 0 | 109.3 | S353 | S353-P355 WeakPolarHBondContact O-CD 3.28Š| ||
| 356 | V | 75.5 | Confident | 77.5 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 42% | 0.418 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 108.8 | 172.5 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | I354 L385 F392 L394 | I354-V356 PolarHBondContact O-N 3.4Å; I354-V356 VanDerWaalsContact O-N 3.16Å; V356-L385 HydrophobicContact CG1-CD1 3.65Å; V356-F392 WeakPolarHBondContact CA-O 3.21Å; V356-F392 HydrophobicContact CB-CB 4.38Å; V356-F392 HydrophobicContact CG1-CB 4.33Å; V356-F392 HydrophobicContact CG2-CB 3.96Å; V356-L394 HydrophobicContact CG1-CB 3.98Å |
| 357 | G | 77.6 | Confident | 76.9 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 40% | 0.402 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 129.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F392 R393 L394 | G357-F392 PolarHBondContact N-O 2.97Å; G357-R393 CarbonylContact O-C 3.5Å; G357-R393 WeakPolarHBondContact O-CA 3.43Å; G357-L394 PolarHBondContact O-N 3.05Å |
| 358 | I | 81.8 | Confident | 76 | Confident | 82 Ų | 82 | 74.7 Ų | 74.7 | 42% | 0.421 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134 | 177.3 | -54.1 | 177.8 | 0 | 0 | 0 | 109.3 | L362 L363 L394 | I358-L362 HydrophobicContact CG2-CD2 4.19Å; I358-L363 HydrophobicContact CB-CD1 3.9Å; I358-L363 HydrophobicContact CG2-CD1 3.63Å; I358-L363 HydrophobicContact CG2-CG 4.02Å; I358-L394 HydrophobicContact CG1-CB 4.33Å; I358-L394 HydrophobicContact CG1-CD2 4.42Å |
| 359 | S | 83.1 | Confident | 74.9 | Confident | 8 Ų | 8 | 80.5 Ų | 80.5 | 6% | 0.056 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 136 | 176.9 | 108.2 | 0 | 0 | 0 | 0 | 111.1 | G361 L362 L363 L394 Q399 | S359-G361 PolarHBondContact O-N 3.11Å; S359-G361 PolarHBondContact OG-N 3.15Å; S359-L362 PolarHBondContact O-N 3.48Å; S359-L362 VanDerWaalsContact O-N 3.14Å; S359-L362 PolarHBondContact OG-N 3.09Å; S359-L362 VanDerWaalsContact OG-N 3.13Å; S359-L363 PolarHBondContact O-N 2.73Å; S359-L363 VanDerWaalsContact O-N 3.15Å; S359-L394 PolarHBondContact N-O 3.46Å; S359-Q399 PolarHBondContact OG-OE1 3.21Å |
| 360 | L | 81.1 | Confident | 73.6 | Confident | 133 Ų | 133 | 76.8 Ų | 76.8 | 70% | 0.696 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -58.8 | -31 | 176.4 | -74.5 | 166.9 | 0 | 0 | 0 | 112.2 | K364 | L360-K364 WeakPolarHBondContact O-CB 3.33Å; L360-K364 VanDerWaalsContact O-CG 3.29Å; L360-K364 WeakPolarHBondContact O-CG 3.41Å; L360-K364 PolarHBondContact O-N 3.37Å |
| 361 | G | 80.4 | Confident | 72.4 | Confident | 43 Ų | 43 | 84.6 Ų | 84.6 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S359 K364 R365 | S359-G361 PolarHBondContact O-N 3.11Å; S359-G361 PolarHBondContact OG-N 3.15Å; G361-K364 PolarHBondContact O-N 3.27Å; G361-R365 PolarHBondContact O-N 2.97Å; G361-R365 VanDerWaalsContact O-N 3.14Å |
| 362 | L | 81.6 | Confident | 71.4 | Confident | 3 Ų | 3 | 87.3 Ų | 87.3 | 2% | 0.016 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 176.7 | -177 | 62.1 | 0 | 0 | 0 | 111.2 | I358 S359 K364 R365 E366 L381 H382 L394 | I358-L362 HydrophobicContact CG2-CD2 4.19Å; S359-L362 PolarHBondContact O-N 3.48Å; S359-L362 VanDerWaalsContact O-N 3.14Å; S359-L362 PolarHBondContact OG-N 3.09Å; S359-L362 VanDerWaalsContact OG-N 3.13Å; L362-K364 PolarHBondContact O-N 3.28Å; L362-R365 PolarHBondContact O-N 3.33Å; L362-E366 WeakPolarHBondContact O-CG 3.48Å; L362-E366 PolarHBondContact O-N 2.79Å; L362-E366 VanDerWaalsContact O-N 3.17Å; L362-L381 HydrophobicContact CD2-CD2 3.87Å; L362-L381 HydrophobicContact CG-CD2 4.41Å; L362-H382 WeakPolarHBondContact CD1-O 3.36Å; L362-L394 HydrophobicContact CD2-CD2 4.09Å; L362-L394 HydrophobicContact CD2-CG 3.91Å |
| 363 | L | 81.1 | Confident | 70.8 | Confident | 72 Ų | 72 | 88.3 Ų | 88.3 | 38% | 0.377 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 176.7 | -99.4 | 144.6 | 0 | 0 | 0 | 112.6 | I358 S359 R365 E366 M367 | I358-L363 HydrophobicContact CB-CD1 3.9Å; I358-L363 HydrophobicContact CG2-CD1 3.63Å; I358-L363 HydrophobicContact CG2-CG 4.02Å; S359-L363 PolarHBondContact O-N 2.73Å; S359-L363 VanDerWaalsContact O-N 3.15Å; L363-R365 PolarHBondContact O-N 3.09Å; L363-E366 PolarHBondContact O-N 2.89Å; L363-M367 WeakPolarHBondContact O-CB 3.33Å; L363-M367 VanDerWaalsContact O-CG 3.25Å; L363-M367 WeakPolarHBondContact O-CG 3.29Å; L363-M367 PolarHBondContact O-N 3.19Å |
| 364 | K | 80 | Confident | 70.2 | Confident | 149 Ų | 149 | 92.3 Ų | 92.3 | 65% | 0.648 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -39.5 | 179.7 | -76.2 | 178.1 | 178.9 | -175.4 | 0 | 112.8 | L360 G361 L362 M367 A368 | L360-K364 WeakPolarHBondContact O-CB 3.33Å; L360-K364 VanDerWaalsContact O-CG 3.29Å; L360-K364 WeakPolarHBondContact O-CG 3.41Å; L360-K364 PolarHBondContact O-N 3.37Å; G361-K364 PolarHBondContact O-N 3.27Å; L362-K364 PolarHBondContact O-N 3.28Å; K364-M367 PolarHBondContact O-N 3.08Å; K364-A368 WeakPolarHBondContact O-CB 3.4Å; K364-A368 PolarHBondContact O-N 3.03Å |
| 365 | R | 76.4 | Confident | 69.7 | Low | 113 Ų | 113 | 93.1 Ų | 93.1 | 43% | 0.426 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 177.2 | 178.4 | 177.4 | 172.6 | 160 | -3.3 | 111.4 | G361 L362 L363 M367 A368 Q369 E398 | G361-R365 PolarHBondContact O-N 2.97Å; G361-R365 VanDerWaalsContact O-N 3.14Å; L362-R365 PolarHBondContact O-N 3.33Å; L363-R365 PolarHBondContact O-N 3.09Å; R365-M367 VanDerWaalsContact C-N 3.33Å; R365-M367 PolarHBondContact O-N 3.14Å; R365-A368 PolarHBondContact O-N 3.27Å; R365-A368 VanDerWaalsContact O-N 3.15Å; R365-Q369 WeakPolarHBondContact O-CG 3.47Å; R365-Q369 PolarHBondContact O-N 3.4Å; R365-E398 IonicContact NH1-OE1 3.65Å; R365-E398 PolarHBondContact NH1-OE1 2.91Å |
| 366 | E | 73.4 | Confident | 69.3 | Low | 42 Ų | 42 | 97.5 Ų | 97.5 | 20% | 0.196 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -67.6 | -33.2 | -179.3 | -69.7 | -66.4 | 157.4 | 0 | 0 | 112.8 | L362 L363 L381 | L362-E366 WeakPolarHBondContact O-CG 3.48Å; L362-E366 PolarHBondContact O-N 2.79Å; L362-E366 VanDerWaalsContact O-N 3.17Å; L363-E366 PolarHBondContact O-N 2.89Å; E366-L381 HydrophobicContact CB-CD1 4.14Å; E366-L381 HydrophobicContact CG-CD1 3.69Å; E366-L381 HydrophobicContact CG-CG 4.18Å |
| 367 | M | 71.4 | Confident | 68.4 | Low | 141 Ų | 141 | 102.5 Ų | 102.5 | 70% | 0.695 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.9 | -32.9 | 172.4 | -71.2 | -176.9 | 76.3 | 0 | 0 | 112.6 | L363 K364 R365 | L363-M367 WeakPolarHBondContact O-CB 3.33Å; L363-M367 VanDerWaalsContact O-CG 3.25Å; L363-M367 WeakPolarHBondContact O-CG 3.29Å; L363-M367 PolarHBondContact O-N 3.19Å; K364-M367 PolarHBondContact O-N 3.08Å; R365-M367 VanDerWaalsContact C-N 3.33Å; R365-M367 PolarHBondContact O-N 3.14Å |
| 368 | A | 69.9 | Low | 67.4 | Low | 86 Ų | 86 | 106.6 Ų | 106.6 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.5 | -27.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K364 R365 G370 | K364-A368 WeakPolarHBondContact O-CB 3.4Å; K364-A368 PolarHBondContact O-N 3.03Å; R365-A368 PolarHBondContact O-N 3.27Å; R365-A368 VanDerWaalsContact O-N 3.15Å; A368-G370 VanDerWaalsContact C-N 3.33Å; A368-G370 PolarHBondContact O-N 2.99Å |
| 369 | Q | 63.2 | Low | 66.6 | Low | 130 Ų | 130 | 109.1 Ų | 109.1 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 3.6 | -175.6 | -76.4 | -174.1 | -28.3 | 0 | 0 | 115.3 | R365 | R365-Q369 WeakPolarHBondContact O-CG 3.47Å; R365-Q369 PolarHBondContact O-N 3.4Å |
| 370 | G | 54.4 | Low | 65.8 | Low | 29 Ų | 29 | 115.2 Ų | 115.2 | 30% | 0.299 | 61% | 0.611 | S | S | . | * | trans | -132.4 | 120.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A368 | A368-G370 VanDerWaalsContact C-N 3.33Å; A368-G370 PolarHBondContact O-N 2.99Å | ||
| 371 | L | 53.3 | Low | 65.4 | Low | 171 Ų | 171 | 112.4 Ų | 112.4 | 90% | 0.895 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -46.6 | 148.3 | 149.7 | -85.7 | 124.1 | 0 | 0 | 0 | 109.9 | R379 | L371-R379 PolarHBondContact O-NH2 2.81Š|
| 372 | L | 51.2 | Low | 65.1 | Low | 165 Ų | 165 | 117.1 Ų | 117.1 | 86% | 0.864 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -38.3 | 137.8 | -177.2 | -73.3 | 156.1 | 0 | 0 | 0 | 112.9 | E374 | L372-E374 PolarHBondContact O-N 2.8Š|
| 373 | P | 52.3 | Low | 65.2 | Low | 94 Ų | 94 | 118.4 Ų | 118.4 | 61% | 0.61 | 62% | 0.621 | S | S | * | * | trans | -66.4 | 124.9 | -168.9 | 26.3 | -33.9 | 0 | 0 | 0 | 112.6 | A375 | P373-A375 PolarHBondContact O-N 3.23Š| ||
| 374 | E | 52.6 | Low | 65.3 | Low | 171 Ų | 171 | 117.4 Ų | 117.4 | 80% | 0.799 | 62% | 0.617 | S | S | * | * | trans | -64.1 | 115.5 | 152.3 | -80.8 | -169.6 | 153.9 | 0 | 0 | 108.1 | L372 K376 | L372-E374 PolarHBondContact O-N 2.8Å; E374-K376 PolarHBondContact O-N 2.92Å | ||
| 375 | A | 55.5 | Low | 65.6 | Low | 108 Ų | 108 | 114.1 Ų | 114.1 | 89% | 0.893 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 9.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | P373 | P373-A375 PolarHBondContact O-N 3.23Š|
| 376 | K | 58.4 | Low | 66 | Low | 199 Ų | 199 | 109.7 Ų | 109.7 | 87% | 0.865 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | -6 | -170.4 | -71.4 | -172.8 | 178.7 | -180 | 0 | 116 | E374 | E374-K376 PolarHBondContact O-N 2.92Š|
| 377 | K | 56.7 | Low | 66.4 | Low | 175 Ų | 175 | 114.1 Ų | 114.1 | 76% | 0.761 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -123 | 125 | 175.9 | -72.7 | -176 | 179.6 | 177.5 | 0 | 111.3 | R379 | K377-R379 PolarHBondContact O-N 3.48Š|
| 378 | P | 58.4 | Low | 66.6 | Low | 124 Ų | 124 | 114.3 Ų | 114.3 | 81% | 0.805 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 132.8 | 171.5 | 25.8 | -31.7 | 0 | 0 | 0 | 109.2 | L380 | P378-L380 PolarHBondContact O-N 2.75Š|
| 379 | R | 63.6 | Low | 66.3 | Low | 135 Ų | 135 | 116.7 Ų | 116.7 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 123.1 | 172.9 | -72.8 | -169.9 | 176.2 | -173.8 | 1.3 | 108.8 | L371 K377 | L371-R379 PolarHBondContact O-NH2 2.81Å; K377-R379 PolarHBondContact O-N 3.48Å |
| 380 | L | 66 | Low | 66.2 | Low | 137 Ų | 137 | 115.7 Ų | 115.7 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 124.6 | 169.3 | -83.7 | 135.5 | 0 | 0 | 0 | 108.5 | P378 | P378-L380 PolarHBondContact O-N 2.75Š|
| 381 | L | 72.5 | Confident | 66.8 | Low | 73 Ų | 73 | 120 Ų | 120 | 38% | 0.382 | 64% | 0.635 | S | S | . | * | trans | -103.6 | 114.1 | 174.8 | -173.4 | 126.1 | 0 | 0 | 0 | 108.3 | L362 E366 L394 | L362-L381 HydrophobicContact CD2-CD2 3.87Å; L362-L381 HydrophobicContact CG-CD2 4.41Å; E366-L381 HydrophobicContact CB-CD1 4.14Å; E366-L381 HydrophobicContact CG-CD1 3.69Å; E366-L381 HydrophobicContact CG-CG 4.18Å; L381-L394 HydrophobicContact CD2-CD2 3.44Å; L381-L394 VanDerWaalsContact CD2-CD2 3.44Å | ||
| 382 | H | 75.6 | Confident | 68.2 | Low | 142 Ų | 142 | 114.1 Ų | 114.1 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | trans | -92.1 | 118.5 | 178.1 | -69 | -80.5 | 0 | 0 | 0 | 109.9 | L362 | L362-H382 WeakPolarHBondContact CD1-O 3.36Š| ||
| 383 | G | 82.3 | Confident | 69.7 | Low | 31 Ų | 31 | 111 Ų | 111 | 32% | 0.32 | 58% | 0.579 | S | S | . | * | trans | -148.7 | 157.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V395 | G383-V395 CarbonylContact C-O 3.57Å; G383-V395 WeakPolarHBondContact CA-O 3.32Å | ||
| 384 | T | 84.4 | Confident | 71.3 | Confident | 50 Ų | 50 | 108.1 Ų | 108.1 | 31% | 0.307 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.6 | 173.9 | -53.4 | 0 | 0 | 0 | 0 | 109 | V395 S397 A400 | T384-V395 PolarHBondContact N-O 3.14Å; T384-V395 PolarHBondContact O-N 3.01Å; T384-S397 WeakPolarHBondContact OG1-CA 3.37Å; T384-S397 PolarHBondContact OG1-OG 3.33Å; T384-A400 HydrophobicContact CG2-CB 3.71Å |
| 385 | L | 86.2 | Confident | 73 | Confident | 80 Ų | 80 | 100 Ų | 100 | 42% | 0.419 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 113.4 | 175.1 | -175.9 | 67.8 | 0 | 0 | 0 | 109.7 | V356 M387 F392 L394 | V356-L385 HydrophobicContact CG1-CD1 3.65Å; L385-M387 HydrophobicContact CD2-CG 4.07Å; L385-M387 HydrophobicContact CD2-SD 4.13Å; L385-M387 HydrophobicContact CG-CG 4.04Å; L385-F392 HydrophobicContact CD1-CB 4.28Å; L385-L394 HydrophobicContact CB-CD1 4.33Å |
| 386 | I | 83.8 | Confident | 74.4 | Confident | 21 Ų | 21 | 95.7 Ų | 95.7 | 11% | 0.108 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.4 | 168.4 | -59.4 | 176.9 | 0 | 0 | 0 | 108 | R393 V395 A400 E403 | I386-R393 PolarHBondContact N-O 3.34Å; I386-R393 PolarHBondContact O-N 2.98Å; I386-V395 HydrophobicContact CD1-CG1 4.29Å; I386-V395 HydrophobicContact CD1-CG2 3.57Å; I386-V395 HydrophobicContact CG1-CG2 3.92Å; I386-A400 HydrophobicContact CD1-CB 4.15Å; I386-A400 HydrophobicContact CG1-CB 4.31Å; I386-E403 HydrophobicContact CD1-CB 4.17Å |
| 387 | M | 83.4 | Confident | 75.5 | Confident | 134 Ų | 134 | 89.8 Ų | 89.8 | 66% | 0.66 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 111.2 | 174.1 | -59.4 | -175.6 | -74.8 | 0 | 0 | 108.3 | L385 F392 | L385-M387 HydrophobicContact CD2-CG 4.07Å; L385-M387 HydrophobicContact CD2-SD 4.13Å; L385-M387 HydrophobicContact CG-CG 4.04Å; M387-F392 HydrophobicContact CB-CD1 4.37Å; M387-F392 HydrophobicContact CB-CE1 4.33Å; M387-F392 HydrophobicContact CG-CD1 3.62Å; M387-F392 HydrophobicContact CG-CE1 3.76Å; M387-F392 HydrophobicContact SD-CD1 4.05Å; M387-F392 HydrophobicContact SD-CE1 3.7Å |
| 388 | K | 75.5 | Confident | 76.7 | Confident | 146 Ų | 146 | 87.1 Ų | 87.1 | 64% | 0.635 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 125 | 179.1 | -172.7 | 177.3 | -179.9 | -179.9 | 0 | 110.2 | S390 N391 | K388-S390 VanDerWaalsContact C-N 3.31Å; K388-S390 PolarHBondContact O-N 3.35Å; K388-N391 PolarHBondContact N-O 2.95Å; K388-N391 WeakPolarHBondContact O-CA 3.48Å; K388-N391 WeakPolarHBondContact O-CB 3.45Å; K388-N391 PolarHBondContact O-N 3.48Å |
| 389 | D | 63.7 | Low | 77.9 | Confident | 135 Ų | 135 | 83.8 Ų | 83.8 | 72% | 0.722 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 49 | 173.8 | -53.5 | -41.3 | 0 | 0 | 0 | 113.4 | N391 | D389-N391 PolarHBondContact O-N 2.97Å; D389-N391 VanDerWaalsContact O-N 3.09Å |
| 390 | S | 60.8 | Low | 78.9 | Confident | 110 Ų | 110 | 77.5 Ų | 77.5 | 77% | 0.769 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 4 | -177.3 | -52.3 | 0 | 0 | 0 | 0 | 116.2 | K388 F392 | K388-S390 VanDerWaalsContact C-N 3.31Å; K388-S390 PolarHBondContact O-N 3.35Å; S390-F392 WeakPolarHBondContact O-CD2 3.21Å; S390-F392 VanDerWaalsContact O-CE2 3.31Å; S390-F392 WeakPolarHBondContact O-CE2 3.11Å |
| 391 | N | 67.6 | Low | 79.8 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 63% | 0.631 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130 | 169.5 | -75.4 | -53.7 | 0 | 0 | 0 | 110.8 | K388 D389 | K388-N391 PolarHBondContact N-O 2.95Å; K388-N391 WeakPolarHBondContact O-CA 3.48Å; K388-N391 WeakPolarHBondContact O-CB 3.45Å; K388-N391 PolarHBondContact O-N 3.48Å; D389-N391 PolarHBondContact O-N 2.97Å; D389-N391 VanDerWaalsContact O-N 3.09Å |
| 392 | F | 81.1 | Confident | 80.4 | Confident | 49 Ų | 49 | 78 Ų | 78 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.9 | -179 | -60.9 | -99 | 0 | 0 | 0 | 108.4 | I354 V356 G357 L385 M387 S390 | I354-F392 HydrophobicContact CD1-CZ 4.3Å; I354-F392 HydrophobicContact CG2-CB 4.26Å; I354-F392 HydrophobicContact CG2-CD1 4.06Å; I354-F392 HydrophobicContact CG2-CD2 3.06Å; I354-F392 HydrophobicContact CG2-CE1 4.18Å; I354-F392 HydrophobicContact CG2-CE2 3.21Å; I354-F392 HydrophobicContact CG2-CG 3.53Å; I354-F392 HydrophobicContact CG2-CZ 3.79Å; V356-F392 WeakPolarHBondContact CA-O 3.21Å; V356-F392 HydrophobicContact CB-CB 4.38Å; V356-F392 HydrophobicContact CG1-CB 4.33Å; V356-F392 HydrophobicContact CG2-CB 3.96Å; G357-F392 PolarHBondContact N-O 2.97Å; L385-F392 HydrophobicContact CD1-CB 4.28Å; M387-F392 HydrophobicContact CB-CD1 4.37Å; M387-F392 HydrophobicContact CB-CE1 4.33Å; M387-F392 HydrophobicContact CG-CD1 3.62Å; M387-F392 HydrophobicContact CG-CE1 3.76Å; M387-F392 HydrophobicContact SD-CD1 4.05Å; M387-F392 HydrophobicContact SD-CE1 3.7Å; S390-F392 WeakPolarHBondContact O-CD2 3.21Å; S390-F392 VanDerWaalsContact O-CE2 3.31Å; S390-F392 WeakPolarHBondContact O-CE2 3.11Å |
| 393 | R | 83.3 | Confident | 80.9 | Confident | 99 Ų | 99 | 75.3 Ų | 75.3 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.5 | 178.1 | -75 | 179.9 | 59.1 | -143.5 | -14.2 | 111 | G357 I386 V395 E403 | G357-R393 CarbonylContact O-C 3.5Å; G357-R393 WeakPolarHBondContact O-CA 3.43Å; I386-R393 PolarHBondContact N-O 3.34Å; I386-R393 PolarHBondContact O-N 2.98Å; R393-V395 HydrophobicContact CB-CG1 4.34Å; R393-E403 IonicContact CZ-OE1 2.8Å; R393-E403 IonicContact CZ-OE2 2.86Å; R393-E403 IonicContact NH1-OE1 3.91Å; R393-E403 IonicContact NH1-OE2 3.83Å; R393-E403 PolarHBondContact NH1-OE2 3.34Å; R393-E403 VanDerWaalsContact NH1-OE2 3.17Å; R393-E403 IonicContact NH2-OE1 3.86Å; R393-E403 PolarHBondContact NH2-OE1 3.2Å; R393-E403 IonicContact NH2-OE2 3.44Å |
| 394 | L | 85.9 | Confident | 80.9 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 17% | 0.173 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 116.7 | 170.6 | -164.2 | 71.4 | 0 | 0 | 0 | 108.9 | V356 G357 I358 S359 L362 L381 L385 | V356-L394 HydrophobicContact CG1-CB 3.98Å; G357-L394 PolarHBondContact O-N 3.05Å; I358-L394 HydrophobicContact CG1-CB 4.33Å; I358-L394 HydrophobicContact CG1-CD2 4.42Å; S359-L394 PolarHBondContact N-O 3.46Å; L362-L394 HydrophobicContact CD2-CD2 4.09Å; L362-L394 HydrophobicContact CD2-CG 3.91Å; L381-L394 HydrophobicContact CD2-CD2 3.44Å; L381-L394 VanDerWaalsContact CD2-CD2 3.44Å; L385-L394 HydrophobicContact CB-CD1 4.33Å |
| 395 | V | 87.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 170.8 | -177.9 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | G383 T384 I386 R393 Q399 A400 | G383-V395 CarbonylContact C-O 3.57Å; G383-V395 WeakPolarHBondContact CA-O 3.32Å; T384-V395 PolarHBondContact N-O 3.14Å; T384-V395 PolarHBondContact O-N 3.01Å; I386-V395 HydrophobicContact CD1-CG1 4.29Å; I386-V395 HydrophobicContact CD1-CG2 3.57Å; I386-V395 HydrophobicContact CG1-CG2 3.92Å; R393-V395 HydrophobicContact CB-CG1 4.34Å; V395-Q399 HydrophobicContact CB-CB 4.19Å; V395-Q399 HydrophobicContact CB-CG 4.11Å; V395-Q399 HydrophobicContact CG1-CG 4.44Å; V395-Q399 HydrophobicContact CG2-CB 4.45Å; V395-A400 HydrophobicContact CG2-CB 3.67Å |
| 396 | S | 85.2 | Confident | 80.9 | Confident | 19 Ų | 19 | 80.8 Ų | 80.8 | 13% | 0.133 | 43% | 0.427 | C | S | . | . | trans | -71.8 | 154.5 | 169.6 | 64.6 | 0 | 0 | 0 | 0 | 111 | E398 Q399 A400 | S396-E398 VanDerWaalsContact C-N 3.27Å; S396-E398 PolarHBondContact O-N 3.5Å; S396-Q399 PolarHBondContact O-N 2.94Å; S396-Q399 VanDerWaalsContact OG-CB 3.27Å; S396-Q399 WeakPolarHBondContact OG-CB 3.33Å; S396-Q399 PolarHBondContact OG-N 3.35Å; S396-A400 PolarHBondContact O-N 3.17Å | ||
| 397 | S | 82.1 | Confident | 80.7 | Confident | 75 Ų | 75 | 84.2 Ų | 84.2 | 52% | 0.524 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -55.8 | -41 | 178.9 | -46.7 | 0 | 0 | 0 | 0 | 112.7 | T384 Q399 A400 L401 | T384-S397 WeakPolarHBondContact OG1-CA 3.37Å; T384-S397 PolarHBondContact OG1-OG 3.33Å; S397-Q399 PolarHBondContact O-N 3.3Å; S397-A400 PolarHBondContact O-N 3.45Å; S397-L401 WeakPolarHBondContact O-CG 3.47Å; S397-L401 PolarHBondContact O-N 3.35Å |
| 398 | E | 81.8 | Confident | 80.6 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 55% | 0.551 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.8 | -41.3 | 175.4 | -66.2 | 166.9 | -139.2 | 0 | 0 | 112.4 | R365 S396 K402 | R365-E398 IonicContact NH1-OE1 3.65Å; R365-E398 PolarHBondContact NH1-OE1 2.91Å; S396-E398 VanDerWaalsContact C-N 3.27Å; S396-E398 PolarHBondContact O-N 3.5Å; E398-K402 WeakPolarHBondContact O-CG 2.82Å; E398-K402 PolarHBondContact O-N 3.09Å; E398-K402 VanDerWaalsContact O-N 3.14Å |
| 399 | Q | 82.9 | Confident | 80.8 | Confident | 54 Ų | 54 | 83.8 Ų | 83.8 | 25% | 0.252 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 177.4 | -178 | 171 | 6.4 | 0 | 0 | 110.8 | S359 V395 S396 S397 K402 E403 | S359-Q399 PolarHBondContact OG-OE1 3.21Å; V395-Q399 HydrophobicContact CB-CB 4.19Å; V395-Q399 HydrophobicContact CB-CG 4.11Å; V395-Q399 HydrophobicContact CG1-CG 4.44Å; V395-Q399 HydrophobicContact CG2-CB 4.45Å; S396-Q399 PolarHBondContact O-N 2.94Å; S396-Q399 VanDerWaalsContact OG-CB 3.27Å; S396-Q399 WeakPolarHBondContact OG-CB 3.33Å; S396-Q399 PolarHBondContact OG-N 3.35Å; S397-Q399 PolarHBondContact O-N 3.3Å; Q399-K402 PolarHBondContact O-N 3.25Å; Q399-E403 HydrophobicContact CG-CG 4.26Å; Q399-E403 WeakPolarHBondContact CG-OE1 3.32Å; Q399-E403 PolarHBondContact NE2-OE1 3.3Å; Q399-E403 WeakPolarHBondContact O-CB 3.42Å; Q399-E403 WeakPolarHBondContact O-CG 3.39Å; Q399-E403 PolarHBondContact O-N 3.16Å |
| 400 | A | 84.9 | Confident | 81.5 | Confident | 4 Ų | 4 | 85.4 Ų | 85.4 | 3% | 0.033 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T384 I386 V395 S396 S397 K402 E403 L404 | T384-A400 HydrophobicContact CG2-CB 3.71Å; I386-A400 HydrophobicContact CD1-CB 4.15Å; I386-A400 HydrophobicContact CG1-CB 4.31Å; V395-A400 HydrophobicContact CG2-CB 3.67Å; S396-A400 PolarHBondContact O-N 3.17Å; S397-A400 PolarHBondContact O-N 3.45Å; A400-K402 VanDerWaalsContact C-N 3.33Å; A400-K402 PolarHBondContact O-N 3.11Å; A400-E403 PolarHBondContact O-N 3.43Å; A400-L404 VanDerWaalsContact O-CB 3.27Å; A400-L404 WeakPolarHBondContact O-CB 3.29Å; A400-L404 VanDerWaalsContact O-CG 3.24Å; A400-L404 WeakPolarHBondContact O-CG 3.4Å; A400-L404 PolarHBondContact O-N 2.94Å |
| 401 | L | 85.6 | Confident | 82.6 | Confident | 49 Ų | 49 | 83.8 Ų | 83.8 | 26% | 0.257 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 176.4 | -72.2 | 171.3 | 0 | 0 | 0 | 111.5 | S397 L404 G405 L406 E408 | S397-L401 WeakPolarHBondContact O-CG 3.47Å; S397-L401 PolarHBondContact O-N 3.35Å; L401-L404 PolarHBondContact O-N 3.35Å; L401-G405 PolarHBondContact O-N 2.91Å; L401-L406 CarbonylContact C-O 3.57Å; L401-L406 HydrophobicContact CD2-CB 3.84Å; L401-L406 PolarHBondContact O-N 2.93Å; L401-E408 HydrophobicContact CD1-CB 3.82Å; L401-E408 HydrophobicContact CD1-CG 4.14Å |
| 402 | K | 85.3 | Confident | 83.5 | Confident | 171 Ų | 171 | 85.4 Ų | 85.4 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.7 | -47.4 | 175 | -73.4 | 179.4 | -177.4 | 177.5 | 0 | 113.1 | E398 Q399 A400 L404 G405 | E398-K402 WeakPolarHBondContact O-CG 2.82Å; E398-K402 PolarHBondContact O-N 3.09Å; E398-K402 VanDerWaalsContact O-N 3.14Å; Q399-K402 PolarHBondContact O-N 3.25Å; A400-K402 VanDerWaalsContact C-N 3.33Å; A400-K402 PolarHBondContact O-N 3.11Å; K402-L404 VanDerWaalsContact C-N 3.31Å; K402-L404 PolarHBondContact O-N 3.23Å; K402-G405 PolarHBondContact O-N 3.14Å |
| 403 | E | 84.3 | Confident | 83.8 | Confident | 86 Ų | 86 | 86.9 Ų | 86.9 | 40% | 0.402 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.5 | -31.5 | -179 | -74.6 | -171.6 | -159.7 | 0 | 0 | 112.1 | I386 R393 Q399 A400 G405 | I386-E403 HydrophobicContact CD1-CB 4.17Å; R393-E403 IonicContact CZ-OE1 2.8Å; R393-E403 IonicContact CZ-OE2 2.86Å; R393-E403 IonicContact NH1-OE1 3.91Å; R393-E403 IonicContact NH1-OE2 3.83Å; R393-E403 PolarHBondContact NH1-OE2 3.34Å; R393-E403 VanDerWaalsContact NH1-OE2 3.17Å; R393-E403 IonicContact NH2-OE1 3.86Å; R393-E403 PolarHBondContact NH2-OE1 3.2Å; R393-E403 IonicContact NH2-OE2 3.44Å; Q399-E403 HydrophobicContact CG-CG 4.26Å; Q399-E403 WeakPolarHBondContact CG-OE1 3.32Å; Q399-E403 PolarHBondContact NE2-OE1 3.3Å; Q399-E403 WeakPolarHBondContact O-CB 3.42Å; Q399-E403 WeakPolarHBondContact O-CG 3.39Å; Q399-E403 PolarHBondContact O-N 3.16Å; A400-E403 PolarHBondContact O-N 3.43Å; E403-G405 VanDerWaalsContact C-N 3.35Å |
| 404 | L | 83.6 | Confident | 84.1 | Confident | 102 Ų | 102 | 86 Ų | 86 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -85.4 | -6 | 176.2 | -65.7 | 171.2 | 0 | 0 | 0 | 113.4 | A400 L401 K402 L406 | A400-L404 VanDerWaalsContact O-CB 3.27Å; A400-L404 WeakPolarHBondContact O-CB 3.29Å; A400-L404 VanDerWaalsContact O-CG 3.24Å; A400-L404 WeakPolarHBondContact O-CG 3.4Å; A400-L404 PolarHBondContact O-N 2.94Å; L401-L404 PolarHBondContact O-N 3.35Å; K402-L404 VanDerWaalsContact C-N 3.31Å; K402-L404 PolarHBondContact O-N 3.23Å; L404-L406 HydrophobicContact CB-CD1 3.85Å; L404-L406 HydrophobicContact CB-CG 3.88Å; L404-L406 HydrophobicContact CD1-CD1 4.12Å; L404-L406 PolarHBondContact O-N 3.18Å |
| 405 | G | 84.3 | Confident | 84.3 | Confident | 68 Ų | 68 | 86 Ų | 86 | 70% | 0.701 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 26.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L401 K402 E403 | L401-G405 PolarHBondContact O-N 2.91Å; K402-G405 PolarHBondContact O-N 3.14Å; E403-G405 VanDerWaalsContact C-N 3.35Å |
| 406 | L | 85.3 | Confident | 84.3 | Confident | 106 Ų | 106 | 94.5 Ų | 94.5 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -100.2 | 138.7 | -178.7 | -62.8 | 175.2 | 0 | 0 | 0 | 110.2 | L401 L404 | L401-L406 CarbonylContact C-O 3.57Å; L401-L406 HydrophobicContact CD2-CB 3.84Å; L401-L406 PolarHBondContact O-N 2.93Å; L404-L406 HydrophobicContact CB-CD1 3.85Å; L404-L406 HydrophobicContact CB-CG 3.88Å; L404-L406 HydrophobicContact CD1-CD1 4.12Å; L404-L406 PolarHBondContact O-N 3.18Å |
| 407 | A | 81.4 | Confident | 84.4 | Confident | 93 Ų | 93 | 93.7 Ų | 93.7 | 77% | 0.769 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 145.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | H409 | A407-H409 PolarHBondContact O-N 3.43Š|
| 408 | E | 79.7 | Confident | 84.6 | Confident | 119 Ų | 119 | 95.6 Ų | 95.6 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -63 | 125.7 | 172 | -169.2 | 175.8 | -171.7 | 0 | 0 | 109.6 | L401 Q410 | L401-E408 HydrophobicContact CD1-CB 3.82Å; L401-E408 HydrophobicContact CD1-CG 4.14Å; E408-Q410 PolarHBondContact O-N 3.27Å |
| 409 | H | 80.4 | Confident | 84.6 | Confident | 152 Ų | 152 | 90.4 Ų | 90.4 | 70% | 0.704 | 46% | 0.457 | S | S | * | . | trans | -79.1 | 106.1 | 175.8 | -161 | 129.1 | 0 | 0 | 0 | 108.9 | A407 L411 | A407-H409 PolarHBondContact O-N 3.43Å; H409-L411 HydrophobicContact CB-CD1 4.13Å; H409-L411 WeakPolarHBondContact CD2-CD1 3.16Å; H409-L411 PolarHBondContact O-N 2.68Å; H409-L411 VanDerWaalsContact O-N 3.12Å | ||
| 410 | Q | 78.8 | Confident | 84.5 | Confident | 169 Ų | 169 | 95.6 Ų | 95.6 | 79% | 0.79 | 48% | 0.481 | S | S | * | . | trans | -80.7 | 92.4 | 175.4 | -68 | -167.7 | -11.3 | 0 | 0 | 110.4 | E408 | E408-Q410 PolarHBondContact O-N 3.27Š| ||
| 411 | L | 83.6 | Confident | 84.1 | Confident | 76 Ų | 76 | 95.9 Ų | 95.9 | 40% | 0.398 | 48% | 0.482 | S | S | . | . | trans | -81.2 | 119.6 | 170.1 | -76.3 | 98.6 | 0 | 0 | 0 | 110 | H409 F413 Y480 | H409-L411 HydrophobicContact CB-CD1 4.13Å; H409-L411 WeakPolarHBondContact CD2-CD1 3.16Å; H409-L411 PolarHBondContact O-N 2.68Å; H409-L411 VanDerWaalsContact O-N 3.12Å; L411-F413 HydrophobicContact CB-CE2 4.13Å; L411-F413 HydrophobicContact CB-CZ 4.49Å; L411-F413 HydrophobicContact CD2-CZ 4.09Å; L411-Y480 PolarHBondContact O-N 3.43Å; L411-Y480 VanDerWaalsContact O-N 3.09Å | ||
| 412 | R | 86.4 | Confident | 83.6 | Confident | 151 Ų | 151 | 99.6 Ų | 99.6 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 119.5 | 169.4 | -167.6 | 174.1 | -170.7 | 174.8 | -0.4 | 109 | W478 | R412-W478 CarbonylContact C-O 3.58Å; R412-W478 WeakPolarHBondContact CA-O 3.35Å |
| 413 | F | 88.3 | Confident | 83.3 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 135.7 | 172.8 | -63.4 | -87.1 | 0 | 0 | 0 | 108.5 | L411 S477 W478 Y480 | L411-F413 HydrophobicContact CB-CE2 4.13Å; L411-F413 HydrophobicContact CB-CZ 4.49Å; L411-F413 HydrophobicContact CD2-CZ 4.09Å; F413-S477 CarbonylContact O-C 3.58Å; F413-S477 WeakPolarHBondContact O-CA 3.23Å; F413-W478 HydrophobicContact CB-CD2 4.04Å; F413-W478 HydrophobicContact CB-CG 4.43Å; F413-W478 HydrophobicContact CB-CZ2 3.9Å; F413-W478 AromaticContact CD2-NE1 3.93Å; F413-W478 PolarHBondContact N-O 3.26Å; F413-W478 PolarHBondContact O-N 2.91Å; F413-Y480 AromaticContact CE2-CD2 3.8Å; F413-Y480 HydrophobicContact CE2-CD2 3.8Å; F413-Y480 HydrophobicContact CE2-CG 4.4Å; F413-Y480 HydrophobicContact CZ-CD2 4.22Å |
| 414 | T | 89.3 | Confident | 83 | Confident | 81 Ų | 81 | 100 Ų | 100 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 118.8 | 175.3 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | L475 V476 S477 | T414-L475 HydrophobicContact CG2-CB 4.41Å; T414-L475 HydrophobicContact CG2-CD2 3.76Å; T414-V476 CarbonylContact C-O 3.55Å; T414-V476 WeakPolarHBondContact CA-O 3.19Å; T414-S477 VanDerWaalsContact CG2-OG 3.29Å; T414-S477 WeakPolarHBondContact CG2-OG 3.49Å; T414-S477 PolarHBondContact OG1-OG 3.15Å |
| 415 | C | 88.8 | Confident | 82.5 | Confident | 32 Ų | 32 | 99 Ų | 99 | 22% | 0.216 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141.3 | 176.2 | -166 | 0 | 0 | 0 | 0 | 110.6 | L475 V476 W478 T490 | C415-L475 WeakPolarHBondContact O-CA 3.3Å; C415-V476 PolarHBondContact N-O 2.86Å; C415-V476 PolarHBondContact O-N 3.1Å; C415-W478 HydrophobicContact CB-CH2 3.87Å; C415-W478 HydrophobicContact CB-CZ3 3.95Å; C415-T490 HydrophobicContact CB-CG2 4.18Å |
| 416 | R | 88.7 | Confident | 82.1 | Confident | 179 Ų | 179 | 102.5 Ų | 102.5 | 68% | 0.675 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.3 | 170.4 | -70.3 | 177.4 | -176.4 | 178.7 | 0.9 | 109.1 | V473 L475 | R416-V473 HydrophobicContact CB-CG1 4.05Å; R416-V473 HydrophobicContact CG-CG1 4.14Å; R416-L475 HydrophobicContact CG-CD2 3.57Å |
| 417 | V | 87.4 | Confident | 81.9 | Confident | 2 Ų | 2 | 102.2 Ų | 102.2 | 1% | 0.012 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.2 | 174.3 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | L419 L474 V476 T490 L493 K494 | V417-L419 HydrophobicContact CG1-CD2 4.33Å; V417-L419 HydrophobicContact CG1-CG 4.48Å; V417-L474 PolarHBondContact N-O 2.7Å; V417-L474 PolarHBondContact O-N 3.17Å; V417-V476 HydrophobicContact CG2-CG2 3.91Å; V417-T490 HydrophobicContact CG2-CG2 4.14Å; V417-L493 HydrophobicContact CG1-CB 4Å; V417-K494 HydrophobicContact CG1-CG 4.18Å |
| 418 | H | 85.6 | Confident | 81.8 | Confident | 116 Ų | 116 | 98.2 Ų | 98.2 | 54% | 0.537 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.1 | 177.7 | -60.9 | 81.6 | 0 | 0 | 0 | 108.6 | T471 | H418-T471 HydrophobicContact CB-CG2 3.94Å |
| 419 | L | 83.1 | Confident | 81.9 | Confident | 9 Ų | 9 | 93.1 Ų | 93.1 | 5% | 0.047 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.6 | 177.9 | -64.7 | 172.3 | 0 | 0 | 0 | 108.4 | V417 D421 V432 T471 K472 L474 L493 L497 | V417-L419 HydrophobicContact CG1-CD2 4.33Å; V417-L419 HydrophobicContact CG1-CG 4.48Å; L419-D421 PolarHBondContact O-N 3.13Å; L419-V432 HydrophobicContact CD1-CG2 4.2Å; L419-T471 WeakPolarHBondContact O-CA 3.35Å; L419-K472 PolarHBondContact N-O 2.9Å; L419-K472 PolarHBondContact O-N 3.19Å; L419-L474 HydrophobicContact CD1-CB 4.33Å; L419-L474 HydrophobicContact CD1-CD2 4.28Å; L419-L493 WeakPolarHBondContact CD2-O 3.24Å; L419-L497 HydrophobicContact CD1-CD1 4.38Å |
| 420 | H | 80.3 | Confident | 82 | Confident | 162 Ų | 162 | 90 Ų | 90 | 75% | 0.75 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 102.8 | 170.9 | -68.9 | -69.5 | 0 | 0 | 0 | 109.1 | G470 T471 | H420-G470 WeakPolarHBondContact CA-O 3.42Å; H420-T471 PolarHBondContact CE1-OG1 3.02Å; H420-T471 VanDerWaalsContact CE1-OG1 3.27Å; H420-T471 PolarHBondContact ND1-OG1 2.83Å; H420-T471 VanDerWaalsContact ND1-OG1 3.09Å |
| 421 | D | 76.9 | Confident | 82.4 | Confident | 10 Ų | 10 | 84.5 Ų | 84.5 | 5% | 0.053 | 40% | 0.395 | C | S | . | . | trans | -149.9 | 121.8 | 176.6 | -161.1 | -4.3 | 0 | 0 | 0 | 109 | L419 R423 T428 R431 G470 | L419-D421 PolarHBondContact O-N 3.13Å; D421-R423 VanDerWaalsContact C-N 3.26Å; D421-R423 PolarHBondContact O-N 2.6Å; D421-R423 WeakPolarHBondContact OD1-CB 3.47Å; D421-R423 WeakPolarHBondContact OD1-CD 3.22Å; D421-R423 VanDerWaalsContact OD1-CG 3.28Å; D421-R423 WeakPolarHBondContact OD1-CG 3.37Å; D421-R423 PolarHBondContact OD1-N 3.29Å; D421-R423 IonicContact OD1-NE 3.91Å; D421-T428 HydrophobicContact CB-CG2 4.33Å; D421-T428 PolarHBondContact OD2-OG1 2.86Å; D421-R431 IonicContact OD1-NH1 3.47Å; D421-R431 PolarHBondContact OD1-NH1 3.48Å; D421-R431 IonicContact OD2-NH1 3.01Å; D421-R431 PolarHBondContact OD2-NH1 3.13Å; D421-G470 PolarHBondContact N-O 2.89Å; D421-G470 VanDerWaalsContact N-O 3.15Å | ||
| 422 | T | 75.1 | Confident | 82.5 | Confident | 127 Ų | 127 | 81 Ų | 81 | 78% | 0.779 | 38% | 0.377 | S | S | * | . | trans | -85.1 | -1.1 | -178.6 | 51 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 423 | R | 78.1 | Confident | 82.5 | Confident | 105 Ų | 105 | 76.2 Ų | 76.2 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -79.9 | 169.6 | -177.4 | -63.1 | 176.4 | -167.5 | -163 | 0.9 | 112.6 | D421 E427 K472 | D421-R423 VanDerWaalsContact C-N 3.26Å; D421-R423 PolarHBondContact O-N 2.6Å; D421-R423 WeakPolarHBondContact OD1-CB 3.47Å; D421-R423 WeakPolarHBondContact OD1-CD 3.22Å; D421-R423 VanDerWaalsContact OD1-CG 3.28Å; D421-R423 WeakPolarHBondContact OD1-CG 3.37Å; D421-R423 PolarHBondContact OD1-N 3.29Å; D421-R423 IonicContact OD1-NE 3.91Å; R423-E427 HydrophobicContact CB-CB 4.29Å; R423-K472 VanDerWaalsContact O-CE 3.3Å; R423-K472 WeakPolarHBondContact O-CE 3.49Å |
| 424 | K | 77.3 | Confident | 82.4 | Confident | 162 Ų | 162 | 75.9 Ų | 75.9 | 70% | 0.704 | 37% | 0.367 | S | S | * | . | trans | -66 | 147.3 | 174.2 | -70.8 | -173.5 | 178.3 | -179.6 | 0 | 110.3 | Q426 E427 T428 | K424-Q426 PolarHBondContact O-N 2.87Å; K424-Q426 VanDerWaalsContact O-N 3.13Å; K424-E427 WeakPolarHBondContact O-CB 3.49Å; K424-E427 PolarHBondContact O-N 3.35Å; K424-T428 PolarHBondContact O-N 3.16Å; K424-T428 VanDerWaalsContact O-N 3.09Å | ||
| 425 | E | 74.4 | Confident | 82.4 | Confident | 80 Ų | 80 | 73.4 Ų | 73.4 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -53 | -38.8 | -176.9 | -74.6 | 164.6 | -167.7 | 0 | 0 | 113.2 | E427 T428 A429 K472 | E425-E427 VanDerWaalsContact C-N 3.34Å; E425-E427 PolarHBondContact O-N 2.9Å; E425-T428 PolarHBondContact O-N 2.9Å; E425-A429 WeakPolarHBondContact O-CB 3.47Å; E425-A429 PolarHBondContact O-N 2.92Å; E425-K472 HydrophobicContact CG-CD 4.34Å |
| 426 | Q | 76.1 | Confident | 82.3 | Confident | 141 Ų | 141 | 71.9 Ų | 71.9 | 66% | 0.659 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.9 | -32 | 179.4 | -159.3 | 156.7 | 11.1 | 0 | 0 | 113 | K424 L430 | K424-Q426 PolarHBondContact O-N 2.87Å; K424-Q426 VanDerWaalsContact O-N 3.13Å; Q426-L430 WeakPolarHBondContact O-CG 3.36Å; Q426-L430 PolarHBondContact O-N 2.97Å |
| 427 | E | 80.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 69 Ų | 69 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -75.1 | -39.1 | 173.8 | -69.4 | 178.9 | -175.1 | 0 | 0 | 111.4 | R423 K424 E425 A429 L430 R431 | R423-E427 HydrophobicContact CB-CB 4.29Å; K424-E427 WeakPolarHBondContact O-CB 3.49Å; K424-E427 PolarHBondContact O-N 3.35Å; E425-E427 VanDerWaalsContact C-N 3.34Å; E425-E427 PolarHBondContact O-N 2.9Å; E427-A429 VanDerWaalsContact C-N 3.34Å; E427-L430 PolarHBondContact O-N 2.81Å; E427-R431 WeakPolarHBondContact O-CG 3.33Å; E427-R431 PolarHBondContact O-N 2.98Å |
| 428 | T | 79.6 | Confident | 82.1 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 174.7 | -57.9 | 0 | 0 | 0 | 0 | 111 | D421 K424 E425 R431 V432 | D421-T428 HydrophobicContact CB-CG2 4.33Å; D421-T428 PolarHBondContact OD2-OG1 2.86Å; K424-T428 PolarHBondContact O-N 3.16Å; K424-T428 VanDerWaalsContact O-N 3.09Å; E425-T428 PolarHBondContact O-N 2.9Å; T428-R431 PolarHBondContact O-N 2.84Å; T428-V432 WeakPolarHBondContact O-CG2 3.24Å; T428-V432 PolarHBondContact O-N 3.37Å |
| 429 | A | 81.4 | Confident | 82.1 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 11% | 0.107 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E425 E427 R431 V432 Y433 G451 | E425-A429 WeakPolarHBondContact O-CB 3.47Å; E425-A429 PolarHBondContact O-N 2.92Å; E427-A429 VanDerWaalsContact C-N 3.34Å; A429-R431 VanDerWaalsContact C-N 3.33Å; A429-R431 PolarHBondContact O-N 2.79Å; A429-V432 PolarHBondContact O-N 3.13Å; A429-Y433 WeakPolarHBondContact O-CB 3.16Å; A429-Y433 PolarHBondContact O-N 3.4Å; A429-G451 WeakPolarHBondContact CB-O 3.45Å |
| 430 | L | 83.3 | Confident | 82.2 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 45% | 0.445 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 175.7 | -73.7 | 170.4 | 0 | 0 | 0 | 112.9 | Q426 E427 S434 | Q426-L430 WeakPolarHBondContact O-CG 3.36Å; Q426-L430 PolarHBondContact O-N 2.97Å; E427-L430 PolarHBondContact O-N 2.81Å; L430-S434 WeakPolarHBondContact O-CB 3.32Å; L430-S434 PolarHBondContact O-N 3.37Å; L430-S434 PolarHBondContact O-OG 2.94Å |
| 431 | R | 85.6 | Confident | 82.1 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.6 | -43.7 | 173.9 | -74 | -179.1 | 72.2 | -163.9 | 3 | 112 | D421 E427 T428 A429 Y433 S434 H435 L497 P498 | D421-R431 IonicContact OD1-NH1 3.47Å; D421-R431 PolarHBondContact OD1-NH1 3.48Å; D421-R431 IonicContact OD2-NH1 3.01Å; D421-R431 PolarHBondContact OD2-NH1 3.13Å; E427-R431 WeakPolarHBondContact O-CG 3.33Å; E427-R431 PolarHBondContact O-N 2.98Å; T428-R431 PolarHBondContact O-N 2.84Å; A429-R431 VanDerWaalsContact C-N 3.33Å; A429-R431 PolarHBondContact O-N 2.79Å; R431-Y433 VanDerWaalsContact C-N 3.34Å; R431-S434 PolarHBondContact O-N 3.3Å; R431-H435 VanDerWaalsContact O-CB 3.29Å; R431-H435 WeakPolarHBondContact O-CB 3.45Å; R431-H435 PolarHBondContact O-N 3.18Å; R431-L497 HydrophobicContact CB-CD1 4.27Å; R431-P498 PolarHBondContact NH2-O 3.17Å |
| 432 | V | 85.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 78.2 Ų | 78.2 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 109.8 | L419 T428 A429 S434 H435 L436 L460 L474 L493 L497 | L419-V432 HydrophobicContact CD1-CG2 4.2Å; T428-V432 WeakPolarHBondContact O-CG2 3.24Å; T428-V432 PolarHBondContact O-N 3.37Å; A429-V432 PolarHBondContact O-N 3.13Å; V432-S434 PolarHBondContact O-N 3.36Å; V432-H435 PolarHBondContact O-N 3.27Å; V432-L436 HydrophobicContact CG1-CD1 3.71Å; V432-L436 HydrophobicContact CG1-CG 4.25Å; V432-L436 WeakPolarHBondContact O-CB 3.48Å; V432-L436 VanDerWaalsContact O-CG 3.28Å; V432-L436 WeakPolarHBondContact O-CG 3.36Å; V432-L436 PolarHBondContact O-N 3.06Å; V432-L460 HydrophobicContact CG1-CD2 4.26Å; V432-L474 HydrophobicContact CG1-CD2 4.33Å; V432-L474 HydrophobicContact CG2-CD2 4.43Å; V432-L493 HydrophobicContact CG1-CD2 4.16Å; V432-L497 HydrophobicContact CG2-CD1 3.96Å; V432-L497 HydrophobicContact CG2-CD2 4.09Å |
| 433 | Y | 88.3 | Confident | 82.8 | Confident | 51 Ų | 51 | 75.7 Ų | 75.7 | 20% | 0.2 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.1 | -49.8 | 175.9 | 171 | -105 | 0 | 0 | 0 | 112.3 | A429 R431 H435 L436 K437 V445 H447 V453 | A429-Y433 WeakPolarHBondContact O-CB 3.16Å; A429-Y433 PolarHBondContact O-N 3.4Å; R431-Y433 VanDerWaalsContact C-N 3.34Å; Y433-H435 VanDerWaalsContact C-N 3.33Å; Y433-H435 PolarHBondContact O-N 2.99Å; Y433-L436 PolarHBondContact O-N 3.22Å; Y433-K437 HydrophobicContact CE1-CD 4.24Å; Y433-K437 HydrophobicContact CE2-CD 4.48Å; Y433-K437 VanDerWaalsContact O-CB 3.29Å; Y433-K437 WeakPolarHBondContact O-CB 3.48Å; Y433-K437 PolarHBondContact O-N 2.91Å; Y433-K437 PolarHBondContact OH-NZ 2.91Å; Y433-K437 VanDerWaalsContact OH-NZ 3.13Å; Y433-V445 HydrophobicContact CD2-CG1 3.7Å; Y433-V445 HydrophobicContact CE2-CB 4.46Å; Y433-V445 HydrophobicContact CE2-CG1 3.88Å; Y433-H447 HydrophobicContact CD2-CB 3.91Å; Y433-H447 HydrophobicContact CE2-CB 4.08Å; Y433-H447 HydrophobicContact CG-CB 4.22Å; Y433-V453 HydrophobicContact CD2-CG1 4.23Å |
| 434 | S | 86.1 | Confident | 83.2 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | -179.4 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | L430 R431 V432 S438 | L430-S434 WeakPolarHBondContact O-CB 3.32Å; L430-S434 PolarHBondContact O-N 3.37Å; L430-S434 PolarHBondContact O-OG 2.94Å; R431-S434 PolarHBondContact O-N 3.3Å; V432-S434 PolarHBondContact O-N 3.36Å; S434-S438 WeakPolarHBondContact O-CB 3.33Å; S434-S438 PolarHBondContact O-N 3.19Å; S434-S438 VanDerWaalsContact O-N 3.1Å |
| 435 | H | 87.8 | Confident | 83.7 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 13% | 0.134 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.1 | -48.5 | 176.7 | -177.6 | 53.1 | 0 | 0 | 0 | 111.8 | R431 V432 Y433 K437 S438 V439 L497 P498 | R431-H435 VanDerWaalsContact O-CB 3.29Å; R431-H435 WeakPolarHBondContact O-CB 3.45Å; R431-H435 PolarHBondContact O-N 3.18Å; V432-H435 PolarHBondContact O-N 3.27Å; Y433-H435 VanDerWaalsContact C-N 3.33Å; Y433-H435 PolarHBondContact O-N 2.99Å; H435-K437 VanDerWaalsContact C-N 3.35Å; H435-K437 PolarHBondContact O-N 2.95Å; H435-S438 WeakPolarHBondContact O-CB 3.48Å; H435-S438 PolarHBondContact O-N 3.42Å; H435-S438 VanDerWaalsContact O-N 3.14Å; H435-V439 WeakPolarHBondContact O-CG2 3.34Å; H435-V439 PolarHBondContact O-N 3.36Å; H435-L497 HydrophobicContact CB-CD2 4Å; H435-P498 VanDerWaalsContact ND1-CD 3.35Å; H435-P498 WeakPolarHBondContact ND1-CD 3.36Å; H435-P498 VanDerWaalsContact ND1-CG 3.3Å; H435-P498 WeakPolarHBondContact ND1-CG 3.46Å |
| 436 | L | 87.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 178.5 | -69.6 | 175.8 | 0 | 0 | 0 | 111.4 | V432 Y433 S438 V439 L440 V445 V453 V455 L460 L489 L492 | V432-L436 HydrophobicContact CG1-CD1 3.71Å; V432-L436 HydrophobicContact CG1-CG 4.25Å; V432-L436 WeakPolarHBondContact O-CB 3.48Å; V432-L436 VanDerWaalsContact O-CG 3.28Å; V432-L436 WeakPolarHBondContact O-CG 3.36Å; V432-L436 PolarHBondContact O-N 3.06Å; Y433-L436 PolarHBondContact O-N 3.22Å; L436-S438 VanDerWaalsContact C-N 3.26Å; L436-S438 PolarHBondContact O-N 2.74Å; L436-V439 PolarHBondContact O-N 2.95Å; L436-L440 HydrophobicContact CD2-CD1 4.21Å; L436-L440 VanDerWaalsContact O-CB 3.3Å; L436-L440 WeakPolarHBondContact O-CB 3.43Å; L436-L440 PolarHBondContact O-N 3.41Å; L436-V445 HydrophobicContact CB-CG1 4.29Å; L436-V453 HydrophobicContact CD1-CG1 4.22Å; L436-V455 HydrophobicContact CD1-CG2 3.94Å; L436-L460 HydrophobicContact CD1-CD1 4.29Å; L436-L460 HydrophobicContact CD1-CD2 3.9Å; L436-L489 HydrophobicContact CD2-CD2 3.59Å; L436-L492 HydrophobicContact CD2-CD2 3.87Å |
| 437 | K | 86.4 | Confident | 84.9 | Confident | 117 Ų | 117 | 64.3 Ų | 64.3 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.1 | -30.1 | 175.7 | -169.8 | 170.7 | -172.9 | 169.6 | 0 | 113.2 | Y433 H435 | Y433-K437 HydrophobicContact CE1-CD 4.24Å; Y433-K437 HydrophobicContact CE2-CD 4.48Å; Y433-K437 VanDerWaalsContact O-CB 3.29Å; Y433-K437 WeakPolarHBondContact O-CB 3.48Å; Y433-K437 PolarHBondContact O-N 2.91Å; Y433-K437 PolarHBondContact OH-NZ 2.91Å; Y433-K437 VanDerWaalsContact OH-NZ 3.13Å; H435-K437 VanDerWaalsContact C-N 3.35Å; H435-K437 PolarHBondContact O-N 2.95Å |
| 438 | S | 85.9 | Confident | 85.2 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 57% | 0.573 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -75.5 | -35.8 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 112.8 | S434 H435 L436 | S434-S438 WeakPolarHBondContact O-CB 3.33Å; S434-S438 PolarHBondContact O-N 3.19Å; S434-S438 VanDerWaalsContact O-N 3.1Å; H435-S438 WeakPolarHBondContact O-CB 3.48Å; H435-S438 PolarHBondContact O-N 3.42Å; H435-S438 VanDerWaalsContact O-N 3.14Å; L436-S438 VanDerWaalsContact C-N 3.26Å; L436-S438 PolarHBondContact O-N 2.74Å |
| 439 | V | 85.6 | Confident | 85.3 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -86.7 | -38 | -176.4 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | H435 L436 L492 | H435-V439 WeakPolarHBondContact O-CG2 3.34Å; H435-V439 PolarHBondContact O-N 3.36Å; L436-V439 PolarHBondContact O-N 2.95Å; V439-L492 HydrophobicContact CB-CD2 4.35Å; V439-L492 HydrophobicContact CG1-CD1 4.33Å; V439-L492 HydrophobicContact CG1-CD2 3.96Å |
| 440 | L | 84.8 | Confident | 85.2 | Confident | 16 Ų | 16 | 73 Ų | 73 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | trans | -106 | 78.9 | -174.6 | -62.4 | 168.5 | 0 | 0 | 0 | 110.5 | L436 D442 H443 V455 F488 L489 | L436-L440 HydrophobicContact CD2-CD1 4.21Å; L436-L440 VanDerWaalsContact O-CB 3.3Å; L436-L440 WeakPolarHBondContact O-CB 3.43Å; L436-L440 PolarHBondContact O-N 3.41Å; L440-D442 VanDerWaalsContact C-N 3.33Å; L440-H443 HydrophobicContact CB-CB 4.23Å; L440-V455 HydrophobicContact CD1-CG1 4Å; L440-F488 HydrophobicContact CD2-CE1 3.92Å; L440-L489 HydrophobicContact CD1-CD2 3.58Å | ||
| 441 | K | 79.3 | Confident | 85 | Confident | 177 Ų | 177 | 70 Ų | 70 | 77% | 0.77 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -25.2 | 179.9 | -66.9 | -174.7 | 179 | 179.6 | 0 | 113.7 | ||
| 442 | D | 81.6 | Confident | 85 | Confident | 154 Ų | 154 | 67.5 Ų | 67.5 | 82% | 0.824 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0.2 | -175.4 | -55.2 | -39.6 | 0 | 0 | 0 | 113.3 | L440 | L440-D442 VanDerWaalsContact C-N 3.33Š|
| 443 | H | 84.8 | Confident | 85.2 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 34% | 0.343 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -117.5 | 144.6 | -177.9 | -61.6 | 68.1 | 0 | 0 | 0 | 111.2 | L440 V445 V455 E456 | L440-H443 HydrophobicContact CB-CB 4.23Å; H443-V445 PolarHBondContact O-N 2.83Å; H443-V455 HydrophobicContact CB-CG1 4.17Å; H443-E456 HydrophobicContact CB-CG 4.36Å |
| 444 | C | 84.9 | Confident | 85.3 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 42% | 0.419 | 36% | 0.364 | S | S | . | . | trans | -76.5 | 106.5 | 177 | -164.3 | 0 | 0 | 0 | 0 | 110.7 | Q446 E456 | C444-Q446 PolarHBondContact SG-NE2 3.35Å; C444-E456 WeakPolarHBondContact CB-OE1 3.34Å; C444-E456 PolarHBondContact N-OE1 2.72Å; C444-E456 PolarHBondContact O-N 3.11Å | ||
| 445 | V | 88.5 | Confident | 85.3 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.7 | 174.5 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | Y433 L436 H443 V453 T454 V455 | Y433-V445 HydrophobicContact CD2-CG1 3.7Å; Y433-V445 HydrophobicContact CE2-CB 4.46Å; Y433-V445 HydrophobicContact CE2-CG1 3.88Å; L436-V445 HydrophobicContact CB-CG1 4.29Å; H443-V445 PolarHBondContact O-N 2.83Å; V445-V453 HydrophobicContact CG1-CG1 3.86Å; V445-T454 CarbonylContact C-O 3.58Å; V445-T454 WeakPolarHBondContact CA-O 3.43Å; V445-V455 HydrophobicContact CG1-CG2 4.2Å; V445-V455 HydrophobicContact CG2-CG1 4.28Å; V445-V455 HydrophobicContact CG2-CG2 4.13Å |
| 446 | Q | 88.4 | Confident | 85.2 | Confident | 105 Ų | 105 | 66.6 Ų | 66.6 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 146.1 | 179.8 | -57.5 | -178.9 | 3.3 | 0 | 0 | 111 | C444 V453 T454 | C444-Q446 PolarHBondContact SG-NE2 3.35Å; Q446-V453 WeakPolarHBondContact O-CA 3.4Å; Q446-T454 PolarHBondContact N-O 3.4Å; Q446-T454 PolarHBondContact O-N 3.16Å |
| 447 | H | 87.1 | Confident | 85 | Confident | 67 Ų | 67 | 69.2 Ų | 69.2 | 31% | 0.31 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.7 | 173.7 | -179.1 | -80.1 | 0 | 0 | 0 | 108.6 | Y433 | Y433-H447 HydrophobicContact CD2-CB 3.91Å; Y433-H447 HydrophobicContact CE2-CB 4.08Å; Y433-H447 HydrophobicContact CG-CB 4.22Å |
| 448 | L | 86.9 | Confident | 85.2 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 29% | 0.288 | 35% | 0.351 | S | S | . | . | trans | -86.9 | 156.8 | -174.8 | -69.3 | 170.3 | 0 | 0 | 0 | 111.6 | D450 G451 S452 T454 L459 | L448-D450 WeakPolarHBondContact CB-OD1 3.21Å; L448-D450 PolarHBondContact O-N 2.95Å; L448-G451 PolarHBondContact O-N 3.38Å; L448-G451 VanDerWaalsContact O-N 3.09Å; L448-S452 WeakPolarHBondContact CD1-OG 3.36Å; L448-S452 PolarHBondContact N-O 3.11Å; L448-T454 HydrophobicContact CD1-CG2 3.62Å; L448-T454 HydrophobicContact CG-CG2 4.44Å; L448-L459 HydrophobicContact CD1-CD1 4.45Å | ||
| 449 | P | 80.6 | Confident | 85.4 | Confident | 137 Ų | 137 | 61.5 Ų | 61.5 | 89% | 0.89 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.5 | -178.6 | -23.5 | 34.5 | 0 | 0 | 0 | 114.6 | G451 | P449-G451 VanDerWaalsContact C-N 3.26Å; P449-G451 PolarHBondContact O-N 2.92Å |
| 450 | D | 80.6 | Confident | 85.6 | Confident | 113 Ų | 113 | 58.5 Ų | 58.5 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 2 | 177.7 | 67.6 | -9.8 | 0 | 0 | 0 | 113.5 | L448 S452 | L448-D450 WeakPolarHBondContact CB-OD1 3.21Å; L448-D450 PolarHBondContact O-N 2.95Å; D450-S452 WeakPolarHBondContact OD1-CB 3.22Å; D450-S452 PolarHBondContact OD1-N 3.38Å; D450-S452 PolarHBondContact OD1-OG 3.12Å; D450-S452 PolarHBondContact OD2-OG 2.99Å |
| 451 | G | 78.1 | Confident | 85.8 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 84.5 | 7.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A429 L448 P449 | A429-G451 WeakPolarHBondContact CB-O 3.45Å; L448-G451 PolarHBondContact O-N 3.38Å; L448-G451 VanDerWaalsContact O-N 3.09Å; P449-G451 VanDerWaalsContact C-N 3.26Å; P449-G451 PolarHBondContact O-N 2.92Å |
| 452 | S | 86.5 | Confident | 85.9 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | trans | -86.7 | 158.5 | 172.8 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | L448 D450 L460 | L448-S452 WeakPolarHBondContact CD1-OG 3.36Å; L448-S452 PolarHBondContact N-O 3.11Å; D450-S452 WeakPolarHBondContact OD1-CB 3.22Å; D450-S452 PolarHBondContact OD1-N 3.38Å; D450-S452 PolarHBondContact OD1-OG 3.12Å; D450-S452 PolarHBondContact OD2-OG 2.99Å; S452-L460 WeakPolarHBondContact CA-O 3.05Å; S452-L460 WeakPolarHBondContact CB-O 3.42Å | ||
| 453 | V | 89 | Confident | 85.7 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.2 | 179.3 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | Y433 L436 V445 Q446 L460 | Y433-V453 HydrophobicContact CD2-CG1 4.23Å; L436-V453 HydrophobicContact CD1-CG1 4.22Å; V445-V453 HydrophobicContact CG1-CG1 3.86Å; Q446-V453 WeakPolarHBondContact O-CA 3.4Å; V453-L460 HydrophobicContact CB-CB 4.33Å; V453-L460 PolarHBondContact N-O 3.48Å; V453-L460 WeakPolarHBondContact O-CA 3.44Å; V453-L460 WeakPolarHBondContact O-CB 3.31Å; V453-L460 WeakPolarHBondContact O-CD1 3.4Å; V453-L460 PolarHBondContact O-N 3.21Å |
| 454 | T | 90.2 | Very high | 85 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.4 | 174.8 | 50.8 | 0 | 0 | 0 | 0 | 110.6 | V445 Q446 L448 V458 L459 | V445-T454 CarbonylContact C-O 3.58Å; V445-T454 WeakPolarHBondContact CA-O 3.43Å; Q446-T454 PolarHBondContact N-O 3.4Å; Q446-T454 PolarHBondContact O-N 3.16Å; L448-T454 HydrophobicContact CD1-CG2 3.62Å; L448-T454 HydrophobicContact CG-CG2 4.44Å; T454-V458 CarbonylContact C-O 3.53Å; T454-V458 WeakPolarHBondContact CA-O 3.35Å; T454-L459 HydrophobicContact CG2-CD1 3.55Å |
| 455 | V | 86.9 | Confident | 84 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 106.1 | 171.6 | -176.3 | 0 | 0 | 0 | 0 | 106.9 | L436 L440 H443 V445 S457 V458 L460 L489 | L436-V455 HydrophobicContact CD1-CG2 3.94Å; L440-V455 HydrophobicContact CD1-CG1 4Å; H443-V455 HydrophobicContact CB-CG1 4.17Å; V445-V455 HydrophobicContact CG1-CG2 4.2Å; V445-V455 HydrophobicContact CG2-CG1 4.28Å; V445-V455 HydrophobicContact CG2-CG2 4.13Å; V455-S457 PolarHBondContact O-N 3.23Å; V455-V458 PolarHBondContact N-O 3.2Å; V455-V458 WeakPolarHBondContact O-CB 3.47Å; V455-V458 PolarHBondContact O-N 3.11Å; V455-L460 HydrophobicContact CG2-CD1 3.96Å; V455-L489 HydrophobicContact CB-CD1 4.1Å; V455-L489 HydrophobicContact CG1-CD1 4.28Å; V455-L489 HydrophobicContact CG2-CD1 4.35Å; V455-L489 HydrophobicContact CG2-CD2 4.42Å |
| 456 | E | 85.9 | Confident | 82.7 | Confident | 107 Ų | 107 | 53 Ų | 53 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -112.2 | -169.4 | -58.2 | -63.3 | 160.3 | 0 | 0 | 111.1 | H443 C444 L485 | H443-E456 HydrophobicContact CB-CG 4.36Å; C444-E456 WeakPolarHBondContact CB-OE1 3.34Å; C444-E456 PolarHBondContact N-OE1 2.72Å; C444-E456 PolarHBondContact O-N 3.11Å; E456-L485 HydrophobicContact CB-CD2 4.37Å; E456-L485 HydrophobicContact CG-CD2 4.48Å |
| 457 | S | 83.5 | Confident | 81.3 | Confident | 55 Ų | 55 | 58 Ų | 58 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -5.9 | 177.1 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | V455 D482 | V455-S457 PolarHBondContact O-N 3.23Å; S457-D482 WeakPolarHBondContact CB-OD2 3.25Å; S457-D482 PolarHBondContact OG-OD1 3.4Å; S457-D482 PolarHBondContact OG-OD2 3.24Å |
| 458 | V | 89.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.7 | -178.1 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | T454 V455 L460 V476 W478 D482 L485 L489 | T454-V458 CarbonylContact C-O 3.53Å; T454-V458 WeakPolarHBondContact CA-O 3.35Å; V455-V458 PolarHBondContact N-O 3.2Å; V455-V458 WeakPolarHBondContact O-CB 3.47Å; V455-V458 PolarHBondContact O-N 3.11Å; V458-L460 HydrophobicContact CG1-CD1 4.36Å; V458-V476 HydrophobicContact CG1-CG1 3.9Å; V458-W478 HydrophobicContact CB-CB 4.33Å; V458-W478 HydrophobicContact CG1-CB 4.06Å; V458-W478 HydrophobicContact CG2-CB 3.78Å; V458-D482 HydrophobicContact CG2-CB 4.43Å; V458-L485 HydrophobicContact CG2-CD2 3.95Å; V458-L485 HydrophobicContact CG2-CG 4.11Å; V458-L489 HydrophobicContact CB-CD1 3.86Å; V458-L489 HydrophobicContact CG1-CD1 3.7Å; V458-L489 HydrophobicContact CG2-CD1 4Å |
| 459 | L | 90.8 | Very high | 79.6 | Confident | 36 Ų | 36 | 61.3 Ų | 61.3 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.4 | 179.5 | 179.7 | 66.7 | 0 | 0 | 0 | 111.1 | L448 T454 V476 S477 | L448-L459 HydrophobicContact CD1-CD1 4.45Å; T454-L459 HydrophobicContact CG2-CD1 3.55Å; L459-V476 CarbonylContact O-C 3.55Å; L459-S477 PolarHBondContact N-O 3.33Å; L459-S477 PolarHBondContact O-N 2.66Å |
| 460 | L | 89.9 | Confident | 79.1 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.2 | 172.4 | -59.9 | 92.2 | 0 | 0 | 0 | 109.6 | V432 L436 S452 V453 V455 V458 L474 L475 V476 L493 | V432-L460 HydrophobicContact CG1-CD2 4.26Å; L436-L460 HydrophobicContact CD1-CD1 4.29Å; L436-L460 HydrophobicContact CD1-CD2 3.9Å; S452-L460 WeakPolarHBondContact CA-O 3.05Å; S452-L460 WeakPolarHBondContact CB-O 3.42Å; V453-L460 HydrophobicContact CB-CB 4.33Å; V453-L460 PolarHBondContact N-O 3.48Å; V453-L460 WeakPolarHBondContact O-CA 3.44Å; V453-L460 WeakPolarHBondContact O-CB 3.31Å; V453-L460 WeakPolarHBondContact O-CD1 3.4Å; V453-L460 PolarHBondContact O-N 3.21Å; V455-L460 HydrophobicContact CG2-CD1 3.96Å; V458-L460 HydrophobicContact CG1-CD1 4.36Å; L460-L474 HydrophobicContact CB-CD1 4.44Å; L460-L474 HydrophobicContact CB-CD2 4.35Å; L460-L474 HydrophobicContact CB-CG 4.49Å; L460-L474 HydrophobicContact CD2-CD2 3.86Å; L460-L475 WeakPolarHBondContact CA-O 3.14Å; L460-V476 HydrophobicContact CD2-CG2 4.11Å; L460-V476 HydrophobicContact CG-CG1 4.29Å; L460-V476 HydrophobicContact CG-CG2 4.32Å; L460-L493 HydrophobicContact CD2-CD1 3.41Å; L460-L493 VanDerWaalsContact CD2-CD1 3.41Å |
| 461 | Q | 87.8 | Confident | 79.1 | Confident | 92 Ų | 92 | 50.9 Ų | 50.9 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135 | -177.1 | -172 | 178.7 | -6 | 0 | 0 | 110.6 | A463 L475 | Q461-A463 PolarHBondContact O-N 2.74Å; Q461-L475 PolarHBondContact N-O 3.2Å; Q461-L475 WeakPolarHBondContact O-CB 3.49Å; Q461-L475 PolarHBondContact O-N 3.05Å |
| 462 | A | 82.2 | Confident | 79.3 | Confident | 45 Ų | 45 | 51.7 Ų | 51.7 | 37% | 0.372 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 129.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 463 | A | 76.8 | Confident | 79.2 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -82 | 165.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q461 V473 L475 | Q461-A463 PolarHBondContact O-N 2.74Å; A463-V473 HydrophobicContact CB-CB 4.11Å; A463-V473 HydrophobicContact CB-CG1 4.06Å; A463-V473 PolarHBondContact N-O 2.87Å; A463-L475 HydrophobicContact CB-CD1 3.82Å; A463-L475 HydrophobicContact CB-CG 4Å |
| 464 | A | 70.1 | Confident | 79.1 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -50.3 | 145 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S466 | A464-S466 PolarHBondContact O-N 2.95Š|
| 465 | P | 64.2 | Low | 79.1 | Confident | 94 Ų | 94 | 54 Ų | 54 | 61% | 0.61 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 136.1 | -173.5 | 19.4 | -30.9 | 0 | 0 | 0 | 111.9 | ||
| 466 | S | 61 | Low | 79.3 | Confident | 43 Ų | 43 | 54 Ų | 54 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 160.5 | 175.4 | 96.4 | 0 | 0 | 0 | 0 | 110.8 | A464 D468 T471 | A464-S466 PolarHBondContact O-N 2.95Å; S466-D468 PolarHBondContact O-N 3.21Å; S466-D468 VanDerWaalsContact O-N 3.1Å; S466-D468 PolarHBondContact OG-N 3.21Å; S466-D468 PolarHBondContact OG-O 2.81Å; S466-T471 PolarHBondContact OG-O 2.91Å |
| 467 | E | 60.5 | Low | 79.6 | Confident | 208 Ų | 208 | 49.4 Ų | 49.4 | 97% | 0.972 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -58.9 | -20.2 | 176.3 | -67.6 | -175.6 | 164.8 | 0 | 0 | 113.1 | ||
| 468 | D | 71.6 | Confident | 79.9 | Confident | 89 Ų | 89 | 47.6 Ų | 47.6 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -95.8 | 114.1 | 169.8 | -173.8 | -6.4 | 0 | 0 | 0 | 110.7 | S466 G470 T471 | S466-D468 PolarHBondContact O-N 3.21Å; S466-D468 VanDerWaalsContact O-N 3.1Å; S466-D468 PolarHBondContact OG-N 3.21Å; S466-D468 PolarHBondContact OG-O 2.81Å; D468-G470 PolarHBondContact O-N 2.87Å; D468-G470 VanDerWaalsContact O-N 3.14Å; D468-G470 PolarHBondContact OD1-N 2.91Å; D468-T471 PolarHBondContact O-N 2.86Å |
| 469 | P | 66.3 | Low | 79.8 | Confident | 103 Ų | 103 | 50.4 Ų | 50.4 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.5 | 177.4 | -21 | 31.8 | 0 | 0 | 0 | 114.2 | ||
| 470 | G | 70.6 | Confident | 79.4 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H420 D421 D468 | H420-G470 WeakPolarHBondContact CA-O 3.42Å; D421-G470 PolarHBondContact N-O 2.89Å; D421-G470 VanDerWaalsContact N-O 3.15Å; D468-G470 PolarHBondContact O-N 2.87Å; D468-G470 VanDerWaalsContact O-N 3.14Å; D468-G470 PolarHBondContact OD1-N 2.91Å |
| 471 | T | 79.7 | Confident | 78.9 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 9% | 0.086 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.1 | -179.2 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | H418 L419 H420 S466 D468 | H418-T471 HydrophobicContact CB-CG2 3.94Å; L419-T471 WeakPolarHBondContact O-CA 3.35Å; H420-T471 PolarHBondContact CE1-OG1 3.02Å; H420-T471 VanDerWaalsContact CE1-OG1 3.27Å; H420-T471 PolarHBondContact ND1-OG1 2.83Å; H420-T471 VanDerWaalsContact ND1-OG1 3.09Å; S466-T471 PolarHBondContact OG-O 2.91Å; D468-T471 PolarHBondContact O-N 2.86Å |
| 472 | K | 81.9 | Confident | 78.7 | Confident | 38 Ų | 38 | 61.5 Ų | 61.5 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 136.7 | 173.3 | -59.1 | -57.7 | -177.7 | -176.8 | 0 | 109.9 | L419 R423 E425 | L419-K472 PolarHBondContact N-O 2.9Å; L419-K472 PolarHBondContact O-N 3.19Å; R423-K472 VanDerWaalsContact O-CE 3.3Å; R423-K472 WeakPolarHBondContact O-CE 3.49Å; E425-K472 HydrophobicContact CG-CD 4.34Å |
| 473 | V | 85.3 | Confident | 78.8 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 12% | 0.121 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.7 | 177.4 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | R416 A463 | R416-V473 HydrophobicContact CB-CG1 4.05Å; R416-V473 HydrophobicContact CG-CG1 4.14Å; A463-V473 HydrophobicContact CB-CB 4.11Å; A463-V473 HydrophobicContact CB-CG1 4.06Å; A463-V473 PolarHBondContact N-O 2.87Å |
| 474 | L | 87.4 | Confident | 79.3 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 9% | 0.089 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.5 | 175 | -168.3 | 72.9 | 0 | 0 | 0 | 109.4 | V417 L419 V432 L460 V476 L493 | V417-L474 PolarHBondContact N-O 2.7Å; V417-L474 PolarHBondContact O-N 3.17Å; L419-L474 HydrophobicContact CD1-CB 4.33Å; L419-L474 HydrophobicContact CD1-CD2 4.28Å; V432-L474 HydrophobicContact CG1-CD2 4.33Å; V432-L474 HydrophobicContact CG2-CD2 4.43Å; L460-L474 HydrophobicContact CB-CD1 4.44Å; L460-L474 HydrophobicContact CB-CD2 4.35Å; L460-L474 HydrophobicContact CB-CG 4.49Å; L460-L474 HydrophobicContact CD2-CD2 3.86Å; L474-V476 HydrophobicContact CD2-CG2 4.36Å; L474-L493 HydrophobicContact CD2-CD1 4.03Å |
| 475 | L | 89.8 | Confident | 80.1 | Confident | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.225 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 113.3 | 172 | -68.2 | 164.6 | 0 | 0 | 0 | 108.6 | T414 C415 R416 L460 Q461 A463 | T414-L475 HydrophobicContact CG2-CB 4.41Å; T414-L475 HydrophobicContact CG2-CD2 3.76Å; C415-L475 WeakPolarHBondContact O-CA 3.3Å; R416-L475 HydrophobicContact CG-CD2 3.57Å; L460-L475 WeakPolarHBondContact CA-O 3.14Å; Q461-L475 PolarHBondContact N-O 3.2Å; Q461-L475 WeakPolarHBondContact O-CB 3.49Å; Q461-L475 PolarHBondContact O-N 3.05Å; A463-L475 HydrophobicContact CB-CD1 3.82Å; A463-L475 HydrophobicContact CB-CG 4Å |
| 476 | V | 91.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116.8 | 172.6 | -172.3 | 0 | 0 | 0 | 0 | 106.9 | T414 C415 V417 V458 L459 L460 L474 W478 L493 | T414-V476 CarbonylContact C-O 3.55Å; T414-V476 WeakPolarHBondContact CA-O 3.19Å; C415-V476 PolarHBondContact N-O 2.86Å; C415-V476 PolarHBondContact O-N 3.1Å; V417-V476 HydrophobicContact CG2-CG2 3.91Å; V458-V476 HydrophobicContact CG1-CG1 3.9Å; L459-V476 CarbonylContact O-C 3.55Å; L460-V476 HydrophobicContact CD2-CG2 4.11Å; L460-V476 HydrophobicContact CG-CG1 4.29Å; L460-V476 HydrophobicContact CG-CG2 4.32Å; L474-V476 HydrophobicContact CD2-CG2 4.36Å; V476-W478 HydrophobicContact CB-CE3 4.42Å; V476-W478 HydrophobicContact CB-CZ3 4Å; V476-W478 HydrophobicContact CG1-CE3 3.83Å; V476-W478 HydrophobicContact CG1-CZ3 3.73Å; V476-W478 VanDerWaalsContact O-CZ3 3.3Å; V476-W478 WeakPolarHBondContact O-CZ3 3.31Å; V476-L493 HydrophobicContact CG2-CD1 3.9Å |
| 477 | S | 90.8 | Very high | 82.4 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.1 | -175.7 | -58 | 0 | 0 | 0 | 0 | 112.1 | F413 T414 L459 | F413-S477 CarbonylContact O-C 3.58Å; F413-S477 WeakPolarHBondContact O-CA 3.23Å; T414-S477 VanDerWaalsContact CG2-OG 3.29Å; T414-S477 WeakPolarHBondContact CG2-OG 3.49Å; T414-S477 PolarHBondContact OG1-OG 3.15Å; L459-S477 PolarHBondContact N-O 3.33Å; L459-S477 PolarHBondContact O-N 2.66Å |
| 478 | W | 91.7 | Very high | 83.7 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 157.5 | -178.5 | 60.8 | 99.9 | 0 | 0 | 0 | 112.3 | R412 F413 C415 V458 V476 T490 | R412-W478 CarbonylContact C-O 3.58Å; R412-W478 WeakPolarHBondContact CA-O 3.35Å; F413-W478 HydrophobicContact CB-CD2 4.04Å; F413-W478 HydrophobicContact CB-CG 4.43Å; F413-W478 HydrophobicContact CB-CZ2 3.9Å; F413-W478 AromaticContact CD2-NE1 3.93Å; F413-W478 PolarHBondContact N-O 3.26Å; F413-W478 PolarHBondContact O-N 2.91Å; C415-W478 HydrophobicContact CB-CH2 3.87Å; C415-W478 HydrophobicContact CB-CZ3 3.95Å; V458-W478 HydrophobicContact CB-CB 4.33Å; V458-W478 HydrophobicContact CG1-CB 4.06Å; V458-W478 HydrophobicContact CG2-CB 3.78Å; V476-W478 HydrophobicContact CB-CE3 4.42Å; V476-W478 HydrophobicContact CB-CZ3 4Å; V476-W478 HydrophobicContact CG1-CE3 3.83Å; V476-W478 HydrophobicContact CG1-CZ3 3.73Å; V476-W478 VanDerWaalsContact O-CZ3 3.3Å; V476-W478 WeakPolarHBondContact O-CZ3 3.31Å; W478-T490 VanDerWaalsContact CH2-OG1 3.25Å; W478-T490 WeakPolarHBondContact CH2-OG1 3.43Å; W478-T490 VanDerWaalsContact CZ3-OG1 3.29Å; W478-T490 WeakPolarHBondContact CZ3-OG1 3.29Å |
| 479 | T | 87.2 | Confident | 84.5 | Confident | 60 Ų | 60 | 53.3 Ų | 53.3 | 37% | 0.368 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 154.2 | 171.1 | 35.6 | 0 | 0 | 0 | 0 | 111.3 | Q481 D482 | T479-Q481 PolarHBondContact O-N 2.85Å; T479-Q481 VanDerWaalsContact O-N 3.14Å; T479-D482 CarbonylContact O-C 3.59Å; T479-D482 PolarHBondContact O-N 3.17Å; T479-D482 PolarHBondContact OG1-OD2 3.28Å |
| 480 | Y | 81.1 | Confident | 85.5 | Confident | 156 Ų | 156 | 48.9 Ų | 48.9 | 61% | 0.612 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -55.2 | -31.4 | 177.9 | 179.9 | -111.2 | 0 | 0 | 0 | 114.1 | L411 F413 D482 E483 | L411-Y480 PolarHBondContact O-N 3.43Å; L411-Y480 VanDerWaalsContact O-N 3.09Å; F413-Y480 AromaticContact CE2-CD2 3.8Å; F413-Y480 HydrophobicContact CE2-CD2 3.8Å; F413-Y480 HydrophobicContact CE2-CG 4.4Å; F413-Y480 HydrophobicContact CZ-CD2 4.22Å; Y480-D482 PolarHBondContact O-N 3.13Å; Y480-D482 VanDerWaalsContact O-N 3.15Å; Y480-E483 HydrophobicContact CD2-CB 4.48Å; Y480-E483 WeakPolarHBondContact O-CB 3.41Å; Y480-E483 PolarHBondContact O-N 3.3Å |
| 481 | Q | 79.4 | Confident | 86.3 | Confident | 160 Ų | 160 | 51 Ų | 51 | 75% | 0.748 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -61.8 | -21.6 | 177.1 | -63.1 | -157 | 3.1 | 0 | 0 | 113.3 | T479 | T479-Q481 PolarHBondContact O-N 2.85Å; T479-Q481 VanDerWaalsContact O-N 3.14Å |
| 482 | D | 83.9 | Confident | 86.7 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 25% | 0.251 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -116.7 | 29.3 | -177.9 | -54.7 | -71.2 | 0 | 0 | 0 | 111.5 | S457 V458 T479 Y480 E484 L485 G486 | S457-D482 WeakPolarHBondContact CB-OD2 3.25Å; S457-D482 PolarHBondContact OG-OD1 3.4Å; S457-D482 PolarHBondContact OG-OD2 3.24Å; V458-D482 HydrophobicContact CG2-CB 4.43Å; T479-D482 CarbonylContact O-C 3.59Å; T479-D482 PolarHBondContact O-N 3.17Å; T479-D482 PolarHBondContact OG1-OD2 3.28Å; Y480-D482 PolarHBondContact O-N 3.13Å; Y480-D482 VanDerWaalsContact O-N 3.15Å; D482-E484 VanDerWaalsContact C-N 3.33Å; D482-E484 PolarHBondContact O-N 3.17Å; D482-L485 HydrophobicContact CB-CB 4.46Å; D482-L485 PolarHBondContact O-N 3.09Å; D482-G486 PolarHBondContact O-N 3.18Å |
| 483 | E | 85.3 | Confident | 86.9 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.4 | -43.3 | -177.7 | -169.3 | -76.9 | 147.3 | 0 | 0 | 112.3 | Y480 L485 G486 S487 | Y480-E483 HydrophobicContact CD2-CB 4.48Å; Y480-E483 WeakPolarHBondContact O-CB 3.41Å; Y480-E483 PolarHBondContact O-N 3.3Å; E483-L485 VanDerWaalsContact C-N 3.35Å; E483-L485 PolarHBondContact O-N 3.02Å; E483-G486 PolarHBondContact O-N 3.33Å; E483-S487 VanDerWaalsContact O-CB 3.23Å; E483-S487 WeakPolarHBondContact O-CB 3.45Å; E483-S487 PolarHBondContact O-N 3.08Å; E483-S487 PolarHBondContact O-OG 3.33Å; E483-S487 PolarHBondContact OE1-OG 3.07Å |
| 484 | E | 85.6 | Confident | 86.8 | Confident | 166 Ų | 166 | 55.3 Ų | 55.3 | 78% | 0.776 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 178.1 | -65.5 | -175.1 | 174.3 | 0 | 0 | 111.6 | D482 F488 | D482-E484 VanDerWaalsContact C-N 3.33Å; D482-E484 PolarHBondContact O-N 3.17Å; E484-F488 VanDerWaalsContact O-CB 3.3Å; E484-F488 WeakPolarHBondContact O-CB 3.18Å; E484-F488 PolarHBondContact O-N 2.98Å |
| 485 | L | 86.8 | Confident | 86.6 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.4 | -45 | 178.6 | -179.2 | 62 | 0 | 0 | 0 | 111.2 | E456 V458 D482 E483 F488 L489 | E456-L485 HydrophobicContact CB-CD2 4.37Å; E456-L485 HydrophobicContact CG-CD2 4.48Å; V458-L485 HydrophobicContact CG2-CD2 3.95Å; V458-L485 HydrophobicContact CG2-CG 4.11Å; D482-L485 HydrophobicContact CB-CB 4.46Å; D482-L485 PolarHBondContact O-N 3.09Å; E483-L485 VanDerWaalsContact C-N 3.35Å; E483-L485 PolarHBondContact O-N 3.02Å; L485-F488 PolarHBondContact O-N 3.43Å; L485-L489 HydrophobicContact CD1-CD1 4.25Å; L485-L489 HydrophobicContact CD1-CG 4.33Å; L485-L489 HydrophobicContact CG-CD1 4.02Å; L485-L489 WeakPolarHBondContact O-CB 2.77Å; L485-L489 VanDerWaalsContact O-CG 3.26Å; L485-L489 WeakPolarHBondContact O-CG 3.46Å; L485-L489 PolarHBondContact O-N 3.44Å |
| 486 | G | 86.8 | Confident | 86 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | D482 E483 L489 T490 | D482-G486 PolarHBondContact O-N 3.18Å; E483-G486 PolarHBondContact O-N 3.33Å; G486-L489 PolarHBondContact O-N 2.96Å; G486-T490 WeakPolarHBondContact O-CB 3.42Å; G486-T490 PolarHBondContact O-N 3.15Å; G486-T490 PolarHBondContact O-OG1 3.17Å |
| 487 | S | 87.1 | Confident | 85.5 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 175.3 | -80 | 0 | 0 | 0 | 0 | 111.8 | E483 T490 S491 | E483-S487 VanDerWaalsContact O-CB 3.23Å; E483-S487 WeakPolarHBondContact O-CB 3.45Å; E483-S487 PolarHBondContact O-N 3.08Å; E483-S487 PolarHBondContact O-OG 3.33Å; E483-S487 PolarHBondContact OE1-OG 3.07Å; S487-T490 PolarHBondContact O-N 2.93Å; S487-S491 WeakPolarHBondContact O-CB 3.48Å; S487-S491 PolarHBondContact O-N 3.26Å |
| 488 | F | 89.1 | Confident | 84.8 | Confident | 99 Ų | 99 | 66.3 Ų | 66.3 | 43% | 0.434 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.3 | -50 | 173.1 | 177.1 | -96.8 | 0 | 0 | 0 | 112 | L440 E484 L485 T490 S491 L492 | L440-F488 HydrophobicContact CD2-CE1 3.92Å; E484-F488 VanDerWaalsContact O-CB 3.3Å; E484-F488 WeakPolarHBondContact O-CB 3.18Å; E484-F488 PolarHBondContact O-N 2.98Å; L485-F488 PolarHBondContact O-N 3.43Å; F488-T490 VanDerWaalsContact C-N 3.32Å; F488-T490 PolarHBondContact O-N 3.1Å; F488-S491 WeakPolarHBondContact O-CB 3.17Å; F488-S491 PolarHBondContact O-N 3.34Å; F488-L492 HydrophobicContact CE1-CD2 4.25Å; F488-L492 WeakPolarHBondContact O-CB 3.41Å; F488-L492 PolarHBondContact O-N 3.11Å |
| 489 | L | 87.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 178.2 | -75.9 | 170.5 | 0 | 0 | 0 | 111.7 | L436 L440 V455 V458 L485 G486 S491 L492 L493 | L436-L489 HydrophobicContact CD2-CD2 3.59Å; L440-L489 HydrophobicContact CD1-CD2 3.58Å; V455-L489 HydrophobicContact CB-CD1 4.1Å; V455-L489 HydrophobicContact CG1-CD1 4.28Å; V455-L489 HydrophobicContact CG2-CD1 4.35Å; V455-L489 HydrophobicContact CG2-CD2 4.42Å; V458-L489 HydrophobicContact CB-CD1 3.86Å; V458-L489 HydrophobicContact CG1-CD1 3.7Å; V458-L489 HydrophobicContact CG2-CD1 4Å; L485-L489 HydrophobicContact CD1-CD1 4.25Å; L485-L489 HydrophobicContact CD1-CG 4.33Å; L485-L489 HydrophobicContact CG-CD1 4.02Å; L485-L489 WeakPolarHBondContact O-CB 2.77Å; L485-L489 VanDerWaalsContact O-CG 3.26Å; L485-L489 WeakPolarHBondContact O-CG 3.46Å; L485-L489 PolarHBondContact O-N 3.44Å; G486-L489 PolarHBondContact O-N 2.96Å; L489-S491 PolarHBondContact O-N 2.87Å; L489-L492 PolarHBondContact O-N 3.29Å; L489-L493 WeakPolarHBondContact O-CB 3.3Å; L489-L493 WeakPolarHBondContact O-CD1 3.42Å; L489-L493 VanDerWaalsContact O-CG 3.3Å; L489-L493 WeakPolarHBondContact O-CG 3.26Å; L489-L493 PolarHBondContact O-N 2.95Å |
| 490 | T | 87.8 | Confident | 81.9 | Confident | 10 Ų | 10 | 74.1 Ų | 74.1 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.4 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | C415 V417 W478 G486 S487 F488 K494 | C415-T490 HydrophobicContact CB-CG2 4.18Å; V417-T490 HydrophobicContact CG2-CG2 4.14Å; W478-T490 VanDerWaalsContact CH2-OG1 3.25Å; W478-T490 WeakPolarHBondContact CH2-OG1 3.43Å; W478-T490 VanDerWaalsContact CZ3-OG1 3.29Å; W478-T490 WeakPolarHBondContact CZ3-OG1 3.29Å; G486-T490 WeakPolarHBondContact O-CB 3.42Å; G486-T490 PolarHBondContact O-N 3.15Å; G486-T490 PolarHBondContact O-OG1 3.17Å; S487-T490 PolarHBondContact O-N 2.93Å; F488-T490 VanDerWaalsContact C-N 3.32Å; F488-T490 PolarHBondContact O-N 3.1Å; T490-K494 HydrophobicContact CG2-CD 4.32Å; T490-K494 WeakPolarHBondContact O-CB 3.46Å; T490-K494 VanDerWaalsContact O-CG 3.28Å; T490-K494 WeakPolarHBondContact O-CG 2.88Å; T490-K494 PolarHBondContact O-N 2.85Å; T490-K494 VanDerWaalsContact O-N 3.09Å |
| 491 | S | 87.6 | Confident | 80.3 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 43% | 0.427 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 112 | S487 F488 L489 K494 K495 | S487-S491 WeakPolarHBondContact O-CB 3.48Å; S487-S491 PolarHBondContact O-N 3.26Å; F488-S491 WeakPolarHBondContact O-CB 3.17Å; F488-S491 PolarHBondContact O-N 3.34Å; L489-S491 PolarHBondContact O-N 2.87Å; S491-K494 PolarHBondContact O-N 2.93Å; S491-K495 WeakPolarHBondContact O-CG 3.39Å; S491-K495 PolarHBondContact O-N 3.48Å |
| 492 | L | 87.8 | Confident | 78.2 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 178 | -177.9 | 66.3 | 0 | 0 | 0 | 111.3 | L436 V439 F488 L489 K494 K495 | L436-L492 HydrophobicContact CD2-CD2 3.87Å; V439-L492 HydrophobicContact CB-CD2 4.35Å; V439-L492 HydrophobicContact CG1-CD1 4.33Å; V439-L492 HydrophobicContact CG1-CD2 3.96Å; F488-L492 HydrophobicContact CE1-CD2 4.25Å; F488-L492 WeakPolarHBondContact O-CB 3.41Å; F488-L492 PolarHBondContact O-N 3.11Å; L489-L492 PolarHBondContact O-N 3.29Å; L492-K494 PolarHBondContact O-N 3.35Å; L492-K495 WeakPolarHBondContact O-CB 3.35Å; L492-K495 PolarHBondContact O-N 2.94Å |
| 493 | L | 85.4 | Confident | 77.9 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.005 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.5 | -29.9 | -178 | -66.7 | 162.2 | 0 | 0 | 0 | 112.7 | V417 L419 V432 L460 L474 V476 L489 K495 G496 | V417-L493 HydrophobicContact CG1-CB 4Å; L419-L493 WeakPolarHBondContact CD2-O 3.24Å; V432-L493 HydrophobicContact CG1-CD2 4.16Å; L460-L493 HydrophobicContact CD2-CD1 3.41Å; L460-L493 VanDerWaalsContact CD2-CD1 3.41Å; L474-L493 HydrophobicContact CD2-CD1 4.03Å; V476-L493 HydrophobicContact CG2-CD1 3.9Å; L489-L493 WeakPolarHBondContact O-CB 3.3Å; L489-L493 WeakPolarHBondContact O-CD1 3.42Å; L489-L493 VanDerWaalsContact O-CG 3.3Å; L489-L493 WeakPolarHBondContact O-CG 3.26Å; L489-L493 PolarHBondContact O-N 2.95Å; L493-K495 PolarHBondContact O-N 3.48Å; L493-G496 PolarHBondContact O-N 2.79Å; L493-G496 VanDerWaalsContact O-N 3.13Å |
| 494 | K | 84 | Confident | 77.5 | Confident | 140 Ų | 140 | 75.5 Ų | 75.5 | 61% | 0.609 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.7 | -23.4 | 171.8 | -79.1 | 177.1 | 179.3 | 179.6 | 0 | 113.5 | V417 T490 S491 L492 G496 | V417-K494 HydrophobicContact CG1-CG 4.18Å; T490-K494 HydrophobicContact CG2-CD 4.32Å; T490-K494 WeakPolarHBondContact O-CB 3.46Å; T490-K494 VanDerWaalsContact O-CG 3.28Å; T490-K494 WeakPolarHBondContact O-CG 2.88Å; T490-K494 PolarHBondContact O-N 2.85Å; T490-K494 VanDerWaalsContact O-N 3.09Å; S491-K494 PolarHBondContact O-N 2.93Å; L492-K494 PolarHBondContact O-N 3.35Å; K494-G496 PolarHBondContact O-N 2.96Å |
| 495 | K | 83.4 | Confident | 77.1 | Confident | 168 Ų | 168 | 70.4 Ų | 70.4 | 73% | 0.73 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6.9 | 173.7 | -67.1 | 173.4 | -177.4 | -179.9 | 0 | 112.9 | S491 L492 L493 | S491-K495 WeakPolarHBondContact O-CG 3.39Å; S491-K495 PolarHBondContact O-N 3.48Å; L492-K495 WeakPolarHBondContact O-CB 3.35Å; L492-K495 PolarHBondContact O-N 2.94Å; L493-K495 PolarHBondContact O-N 3.48Å |
| 496 | G | 76.6 | Confident | 76.5 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 34% | 0.34 | 42% | 0.421 | S | S | . | . | trans | 88.4 | 160 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L493 K494 | L493-G496 PolarHBondContact O-N 2.79Å; L493-G496 VanDerWaalsContact O-N 3.13Å; K494-G496 PolarHBondContact O-N 2.96Å | ||
| 497 | L | 80 | Confident | 75.9 | Confident | 31 Ų | 31 | 77.7 Ų | 77.7 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 143.9 | 174.1 | -68.3 | 171.1 | 0 | 0 | 0 | 109.9 | L419 R431 V432 H435 Q499 | L419-L497 HydrophobicContact CD1-CD1 4.38Å; R431-L497 HydrophobicContact CB-CD1 4.27Å; V432-L497 HydrophobicContact CG2-CD1 3.96Å; V432-L497 HydrophobicContact CG2-CD2 4.09Å; H435-L497 HydrophobicContact CB-CD2 4Å; L497-Q499 PolarHBondContact O-N 2.78Å |
| 498 | P | 76.9 | Confident | 75.1 | Confident | 72 Ų | 72 | 79.7 Ų | 79.7 | 47% | 0.468 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 139.3 | 173.9 | -22 | 30.7 | 0 | 0 | 0 | 111 | R431 H435 A500 | R431-P498 PolarHBondContact NH2-O 3.17Å; H435-P498 VanDerWaalsContact ND1-CD 3.35Å; H435-P498 WeakPolarHBondContact ND1-CD 3.36Å; H435-P498 VanDerWaalsContact ND1-CG 3.3Å; H435-P498 WeakPolarHBondContact ND1-CG 3.46Å; P498-A500 PolarHBondContact O-N 3.42Å |
| 499 | Q | 63.4 | Low | 74.1 | Confident | 188 Ų | 188 | 78.3 Ų | 78.3 | 88% | 0.879 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 127.2 | 166.7 | -67.1 | -161.4 | -7.7 | 0 | 0 | 107.6 | L497 | L497-Q499 PolarHBondContact O-N 2.78Š|
| 500 | A | 55.5 | Low | 73.1 | Confident | 52 Ų | 52 | 84.3 Ų | 84.3 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 142.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | P498 S502 | P498-A500 PolarHBondContact O-N 3.42Å; A500-S502 PolarHBondContact O-N 3.41Å |
| 501 | P | 47.3 | Very low | 71.9 | Confident | 127 Ų | 127 | 90.5 Ų | 90.5 | 83% | 0.825 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 128.9 | 162.3 | 25.2 | -30 | 0 | 0 | 0 | 107.5 | ||
| 502 | S | 34.6 | Very low | 70.4 | Confident | 191 Ų | 191 | 93.2 Ų | 93.2 | 100% | 1.336 | 54% | 0.536 | S | S | * | . | trans | -52.8 | 0 | 176.8 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | A500 | A500-S502 PolarHBondContact O-N 3.41Š|
Retrieved 502 of 502 residues in 3243.2 ms
(Link to these results)