| 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 | 77.8 | Confident | 86.1 | Confident | 209 Ų | 209 | 120.2 Ų | 120.2 | 100% | 1.03 | 68% | 0.681 | S | S | * | * | 0 | 141 | 0 | -62.7 | -172.9 | -63.1 | 0 | 0 | 106.4 | W3 | M1-W3 VanDerWaalsContact C-N 3.3Å; M1-W3 PolarHBondContact O-N 2.69Å | |||
| 2 | L | 85.2 | Confident | 85.7 | Confident | 92 Ų | 92 | 120.8 Ų | 120.8 | 48% | 0.482 | 68% | 0.681 | S | S | . | * | trans | 55.1 | 43.4 | -171.8 | -49 | 175.7 | 0 | 0 | 0 | 112.3 | E6 V8 V20 P22 | L2-E6 WeakPolarHBondContact CA-OE2 3.45Å; L2-E6 PolarHBondContact N-OE2 3.42Å; L2-V8 HydrophobicContact CD2-CG1 4.48Å; L2-V20 HydrophobicContact CB-CG2 3.96Å; L2-V20 HydrophobicContact CD1-CG2 3.95Å; L2-V20 HydrophobicContact CG-CG2 4.41Å; L2-P22 HydrophobicContact CD1-CG 3.71Å | ||
| 3 | W | 82 | Confident | 85.3 | Confident | 162 Ų | 162 | 116.5 Ų | 116.5 | 61% | 0.614 | 68% | 0.68 | S | S | * | * | trans | -79.6 | 153.1 | 175.1 | 57.1 | -86.2 | 0 | 0 | 0 | 110.8 | M1 G5 E6 | M1-W3 VanDerWaalsContact C-N 3.3Å; M1-W3 PolarHBondContact O-N 2.69Å; W3-G5 WeakPolarHBondContact CH2-O 3.44Å; W3-G5 VanDerWaalsContact CZ3-C 3.45Å; W3-G5 PolarHBondContact O-N 3.36Å; W3-G5 VanDerWaalsContact O-N 3.09Å; W3-E6 HydrophobicContact CD2-CB 3.93Å; W3-E6 HydrophobicContact CG-CB 4.14Å; W3-E6 HydrophobicContact CZ2-CB 4Å; W3-E6 HydrophobicContact CZ2-CG 4.33Å; W3-E6 PolarHBondContact N-OE2 2.98Å; W3-E6 PolarHBondContact NE1-OE2 3.33Å; W3-E6 VanDerWaalsContact O-CB 3.23Å; W3-E6 WeakPolarHBondContact O-CB 3.41Å; W3-E6 PolarHBondContact O-N 3.27Å | ||
| 4 | I | 81.2 | Confident | 85.2 | Confident | 102 Ų | 102 | 116.1 Ų | 116.1 | 52% | 0.523 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | 115.1 | -177.3 | -61.9 | 172.5 | 0 | 0 | 0 | 110.1 | ||
| 5 | G | 84.6 | Confident | 85.7 | Confident | 63 Ų | 63 | 117.1 Ų | 117.1 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.4 | 4.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | W3 E7 | W3-G5 WeakPolarHBondContact CH2-O 3.44Å; W3-G5 VanDerWaalsContact CZ3-C 3.45Å; W3-G5 PolarHBondContact O-N 3.36Å; W3-G5 VanDerWaalsContact O-N 3.09Å; G5-E7 PolarHBondContact O-N 3.41Å |
| 6 | E | 90.9 | Very high | 86.1 | Confident | 66 Ų | 66 | 113.9 Ų | 113.9 | 31% | 0.308 | 66% | 0.661 | S | S | . | * | trans | -67 | 125.2 | 170.5 | -171.9 | 170 | 173.5 | 0 | 0 | 110.8 | L2 W3 V8 | L2-E6 WeakPolarHBondContact CA-OE2 3.45Å; L2-E6 PolarHBondContact N-OE2 3.42Å; W3-E6 HydrophobicContact CD2-CB 3.93Å; W3-E6 HydrophobicContact CG-CB 4.14Å; W3-E6 HydrophobicContact CZ2-CB 4Å; W3-E6 HydrophobicContact CZ2-CG 4.33Å; W3-E6 PolarHBondContact N-OE2 2.98Å; W3-E6 PolarHBondContact NE1-OE2 3.33Å; W3-E6 VanDerWaalsContact O-CB 3.23Å; W3-E6 WeakPolarHBondContact O-CB 3.41Å; W3-E6 PolarHBondContact O-N 3.27Å; E6-V8 HydrophobicContact CG-CG1 4.2Å | ||
| 7 | E | 92.2 | Very high | 86.5 | Confident | 191 Ų | 191 | 108.5 Ų | 108.5 | 89% | 0.893 | 63% | 0.63 | S | S | * | * | trans | -77.5 | 128.9 | 172.2 | -66.2 | -179.9 | -178.7 | 0 | 0 | 110.2 | G5 | G5-E7 PolarHBondContact O-N 3.41Š| ||
| 8 | V | 91.7 | Very high | 86.8 | Confident | 80 Ų | 80 | 105.9 Ų | 105.9 | 49% | 0.485 | 61% | 0.612 | S | S | . | * | trans | -133.2 | 157.2 | -179.2 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | L2 E6 I18 | L2-V8 HydrophobicContact CD2-CG1 4.48Å; E6-V8 HydrophobicContact CG-CG1 4.2Å; V8-I18 HydrophobicContact CG2-CD1 3.54Å | ||
| 9 | G | 88.3 | Confident | 87.1 | Confident | 78 Ų | 78 | 101.2 Ų | 101.2 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 104.8 | 179.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | G11 | G9-G11 VanDerWaalsContact C-N 3.34Š|
| 10 | K | 87.8 | Confident | 87.3 | Confident | 196 Ų | 196 | 98.6 Ų | 98.6 | 85% | 0.852 | 57% | 0.572 | S | S | * | * | trans | -84 | -9.2 | 178.1 | -73.1 | -177.9 | -176.4 | 178.1 | 0 | 113.4 | D12 | K10-D12 VanDerWaalsContact CB-OD1 3.27Å; K10-D12 WeakPolarHBondContact CB-OD1 3.26Å | ||
| 11 | G | 85.5 | Confident | 87.5 | Confident | 83 Ų | 83 | 95.1 Ų | 95.1 | 86% | 0.856 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 87.2 | 5.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G9 | G9-G11 VanDerWaalsContact C-N 3.34Š|
| 12 | D | 81.5 | Confident | 88 | Confident | 127 Ų | 127 | 88.8 Ų | 88.8 | 68% | 0.679 | 53% | 0.526 | S | S | * | . | trans | -101.7 | 138 | 172.5 | 56.8 | -15.1 | 0 | 0 | 0 | 111.6 | K10 | K10-D12 VanDerWaalsContact CB-OD1 3.27Å; K10-D12 WeakPolarHBondContact CB-OD1 3.26Å | ||
| 13 | G | 80.1 | Confident | 88.3 | Confident | 65 Ų | 65 | 87.7 Ų | 87.7 | 67% | 0.67 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 106.3 | -172.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 14 | P | 84.3 | Confident | 88.7 | Confident | 112 Ų | 112 | 80.5 Ų | 80.5 | 73% | 0.727 | 49% | 0.493 | S | S | * | . | trans | -70.1 | 149 | -179.7 | 29.7 | -34.3 | 0 | 0 | 0 | 111.5 | ||||
| 15 | E | 91.7 | Very high | 88.9 | Confident | 130 Ų | 130 | 76 Ų | 76 | 61% | 0.607 | 47% | 0.472 | S | S | * | . | trans | -74 | 131.3 | 171.4 | -59.7 | -172.7 | 121.1 | 0 | 0 | 110.2 | R45 | E15-R45 HydrophobicContact CB-CB 4.03Å; E15-R45 PolarHBondContact O-N 3.46Å; E15-R45 IonicContact OE1-CZ 3.88Å; E15-R45 IonicContact OE1-NH1 3.3Å; E15-R45 PolarHBondContact OE1-NH1 3.18Å; E15-R45 WeakPolarHBondContact OE2-CD 3.35Å; E15-R45 IonicContact OE2-CZ 3.88Å; E15-R45 IonicContact OE2-NH1 3.58Å; E15-R45 PolarHBondContact OE2-NH1 3.09Å | ||
| 16 | V | 92.1 | Very high | 89 | Confident | 66 Ų | 66 | 77.8 Ų | 77.8 | 40% | 0.4 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.4 | -175.8 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | I18 F42 A43 | V16-I18 HydrophobicContact CG2-CD1 4.31Å; V16-I18 HydrophobicContact CG2-CG1 4.09Å; V16-F42 HydrophobicContact CG2-CD1 4.29Å; V16-A43 CarbonylContact C-O 3.51Å; V16-A43 VanDerWaalsContact CA-O 3.26Å; V16-A43 WeakPolarHBondContact CA-O 3.32Å; V16-A43 VanDerWaalsContact CB-O 3.29Å; V16-A43 WeakPolarHBondContact CB-O 3.48Å |
| 17 | D | 93.4 | Very high | 88.8 | Confident | 23 Ų | 23 | 79.4 Ų | 79.4 | 12% | 0.123 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 141.5 | 164.3 | -70.1 | -14.1 | 0 | 0 | 0 | 109.3 | F42 A43 D46 S47 L48 | D17-F42 WeakPolarHBondContact O-CA 3.41Å; D17-A43 PolarHBondContact N-O 3.14Å; D17-A43 PolarHBondContact O-N 3.46Å; D17-A43 VanDerWaalsContact O-N 3.11Å; D17-D46 VanDerWaalsContact CG-N 3.3Å; D17-D46 PolarHBondContact OD1-N 3.04Å; D17-D46 VanDerWaalsContact OD2-CA 3.3Å; D17-D46 WeakPolarHBondContact OD2-CA 3.46Å; D17-D46 PolarHBondContact OD2-N 3.42Å; D17-S47 PolarHBondContact OD2-N 3.12Å; D17-L48 HydrophobicContact CB-CB 4.06Å; D17-L48 HydrophobicContact CB-CD1 3.8Å; D17-L48 HydrophobicContact CB-CG 3.73Å; D17-L48 PolarHBondContact OD2-N 3.21Å; D17-L48 VanDerWaalsContact OD2-N 3.08Å |
| 18 | I | 92.2 | Very high | 88.6 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.4 | -179.1 | -48.6 | 178.2 | 0 | 0 | 0 | 109 | V8 V16 V20 M40 A41 F42 | V8-I18 HydrophobicContact CG2-CD1 3.54Å; V16-I18 HydrophobicContact CG2-CD1 4.31Å; V16-I18 HydrophobicContact CG2-CG1 4.09Å; I18-V20 HydrophobicContact CG2-CG1 3.65Å; I18-M40 HydrophobicContact CG2-CE 4.06Å; I18-A41 WeakPolarHBondContact CA-O 3.29Å; I18-F42 HydrophobicContact CD1-CD1 4.05Å; I18-F42 HydrophobicContact CD1-CE1 3.81Å; I18-F42 HydrophobicContact CG1-CD1 3.74Å; I18-F42 HydrophobicContact CG1-CE1 3.98Å; I18-F42 HydrophobicContact CG2-CD1 4.21Å; I18-F42 HydrophobicContact CG2-CE1 4.09Å |
| 19 | A | 91.9 | Very high | 88.5 | Confident | 16 Ų | 16 | 69 Ų | 69 | 13% | 0.132 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | M40 A41 L48 I152 | A19-M40 CarbonylContact O-C 3.56Å; A19-M40 VanDerWaalsContact O-CA 3.23Å; A19-M40 WeakPolarHBondContact O-CA 3.32Å; A19-A41 PolarHBondContact N-O 3.5Å; A19-A41 PolarHBondContact O-N 3.23Å; A19-L48 HydrophobicContact CB-CD1 3.96Å; A19-I152 HydrophobicContact CB-CD1 4.37Å; A19-I152 HydrophobicContact CB-CG1 3.58Å |
| 20 | V | 91 | Very high | 88.5 | Confident | 49 Ų | 49 | 69.4 Ų | 69.4 | 30% | 0.297 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 140.2 | -174.6 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | L2 I18 M40 | L2-V20 HydrophobicContact CB-CG2 3.96Å; L2-V20 HydrophobicContact CD1-CG2 3.95Å; L2-V20 HydrophobicContact CG-CG2 4.41Å; I18-V20 HydrophobicContact CG2-CG1 3.65Å; V20-M40 HydrophobicContact CG1-CB 3.98Å; V20-M40 HydrophobicContact CG1-CE 4.23Å |
| 21 | D | 91.2 | Very high | 88.6 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 14% | 0.144 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 96.9 | 160 | -177.2 | -2 | 0 | 0 | 0 | 107.7 | I23 E24 V39 I152 | D21-I23 PolarHBondContact O-N 3.11Å; D21-I23 PolarHBondContact OD1-N 2.82Å; D21-E24 PolarHBondContact OD1-N 3.04Å; D21-E24 VanDerWaalsContact OD2-CA 3.31Å; D21-E24 WeakPolarHBondContact OD2-CA 3.4Å; D21-E24 WeakPolarHBondContact OD2-CB 3.36Å; D21-V39 CarbonylContact C-O 3.6Å; D21-V39 HydrophobicContact CB-CG2 3.63Å; D21-V39 PolarHBondContact N-O 3.08Å; D21-V39 PolarHBondContact O-N 3.06Å; D21-I152 HydrophobicContact CB-CD1 3.84Å |
| 22 | P | 90.2 | Very high | 88.5 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 49% | 0.494 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | -31.4 | -175.7 | -27.9 | 35.9 | 0 | 0 | 0 | 114 | L2 A38 | L2-P22 HydrophobicContact CD1-CG 3.71Å; P22-A38 WeakPolarHBondContact O-CA 3.39Å; P22-A38 WeakPolarHBondContact O-CB 3.5Å |
| 23 | I | 90.7 | Very high | 88.8 | Confident | 69 Ų | 69 | 62 Ų | 62 | 35% | 0.354 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 90.9 | 174.8 | -55.4 | -179.1 | 0 | 0 | 0 | 108.6 | D21 G25 T26 V29 L37 | D21-I23 PolarHBondContact O-N 3.11Å; D21-I23 PolarHBondContact OD1-N 2.82Å; I23-G25 PolarHBondContact O-N 3.48Å; I23-T26 HydrophobicContact CB-CG2 4.13Å; I23-T26 HydrophobicContact CG2-CG2 4.17Å; I23-T26 VanDerWaalsContact O-CG2 3.31Å; I23-T26 WeakPolarHBondContact O-CG2 3.38Å; I23-T26 PolarHBondContact O-N 3.16Å; I23-V29 HydrophobicContact CG2-CB 4.38Å; I23-V29 HydrophobicContact CG2-CG2 3.52Å; I23-L37 CarbonylContact C-O 3.17Å; I23-L37 WeakPolarHBondContact CA-O 3.44Å |
| 24 | E | 89.3 | Confident | 89.1 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 5% | 0.047 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 124.2 | 164.9 | -160.9 | -66.4 | 137.4 | 0 | 0 | 107.9 | D21 A36 L37 V39 G123 D124 V125 | D21-E24 PolarHBondContact OD1-N 3.04Å; D21-E24 VanDerWaalsContact OD2-CA 3.31Å; D21-E24 WeakPolarHBondContact OD2-CA 3.4Å; D21-E24 WeakPolarHBondContact OD2-CB 3.36Å; E24-A36 WeakPolarHBondContact O-CA 3.43Å; E24-L37 HydrophobicContact CB-CB 4.34Å; E24-L37 PolarHBondContact N-O 3.23Å; E24-L37 PolarHBondContact O-N 3.48Å; E24-V39 HydrophobicContact CB-CG2 4.44Å; E24-G123 VanDerWaalsContact CD-CA 3.42Å; E24-G123 WeakPolarHBondContact OE1-CA 3.41Å; E24-G123 PolarHBondContact OE1-N 3.26Å; E24-G123 VanDerWaalsContact OE2-CA 3.32Å; E24-G123 WeakPolarHBondContact OE2-CA 3.35Å; E24-D124 PolarHBondContact OE1-N 2.77Å; E24-V125 HydrophobicContact CG-CB 4.1Å; E24-V125 HydrophobicContact CG-CG2 4.05Å |
| 25 | G | 86.6 | Confident | 89.1 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 8% | 0.082 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 43.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I23 R27 M28 V29 | I23-G25 PolarHBondContact O-N 3.48Å; G25-R27 PolarHBondContact O-N 3.21Å; G25-R27 VanDerWaalsContact O-N 3.09Å; G25-M28 WeakPolarHBondContact O-CA 3.46Å; G25-M28 VanDerWaalsContact O-CB 3.27Å; G25-M28 WeakPolarHBondContact O-CB 3.42Å; G25-M28 PolarHBondContact O-N 3.09Å; G25-V29 PolarHBondContact O-N 3.23Å |
| 26 | T | 86.5 | Confident | 89 | Confident | 100 Ų | 100 | 52.7 Ų | 52.7 | 61% | 0.613 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -44 | -43.2 | 174 | 54 | 0 | 0 | 0 | 0 | 114 | I23 V29 A30 | I23-T26 HydrophobicContact CB-CG2 4.13Å; I23-T26 HydrophobicContact CG2-CG2 4.17Å; I23-T26 VanDerWaalsContact O-CG2 3.31Å; I23-T26 WeakPolarHBondContact O-CG2 3.38Å; I23-T26 PolarHBondContact O-N 3.16Å; T26-V29 PolarHBondContact O-N 3.18Å; T26-A30 WeakPolarHBondContact O-CB 3.42Å; T26-A30 PolarHBondContact O-N 3.27Å |
| 27 | R | 86.5 | Confident | 88.9 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 38% | 0.377 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 175.3 | -173.1 | 178.9 | 70.2 | 132.6 | -1.8 | 112.3 | G25 V29 A30 M31 P121 D122 | G25-R27 PolarHBondContact O-N 3.21Å; G25-R27 VanDerWaalsContact O-N 3.09Å; R27-V29 VanDerWaalsContact C-N 3.35Å; R27-A30 PolarHBondContact O-N 2.9Å; R27-M31 HydrophobicContact CG-CE 3.75Å; R27-M31 HydrophobicContact CG-CG 4.23Å; R27-M31 HydrophobicContact CG-SD 3.75Å; R27-M31 WeakPolarHBondContact O-CB 3.41Å; R27-M31 WeakPolarHBondContact O-CG 3.49Å; R27-M31 PolarHBondContact O-N 2.93Å; R27-P121 VanDerWaalsContact NH2-CB 3.3Å; R27-P121 PolarHBondContact NH2-O 3.01Å; R27-D122 IonicContact CZ-OD2 3.56Å; R27-D122 VanDerWaalsContact CZ-OD2 3.27Å; R27-D122 IonicContact NE-OD2 2.73Å; R27-D122 PolarHBondContact NE-OD2 2.78Å; R27-D122 IonicContact NH2-OD2 3.42Å; R27-D122 PolarHBondContact NH2-OD2 2.83Å |
| 28 | M | 88.3 | Confident | 88.7 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 177.8 | -60.1 | -168.2 | -72.3 | 0 | 0 | 110.2 | G25 M31 G32 Q33 S34 A36 P121 D122 | G25-M28 WeakPolarHBondContact O-CA 3.46Å; G25-M28 VanDerWaalsContact O-CB 3.27Å; G25-M28 WeakPolarHBondContact O-CB 3.42Å; G25-M28 PolarHBondContact O-N 3.09Å; M28-M31 CarbonylContact O-C 3.51Å; M28-M31 PolarHBondContact O-N 3.12Å; M28-G32 PolarHBondContact O-N 2.64Å; M28-Q33 HydrophobicContact CB-CB 3.95Å; M28-Q33 HydrophobicContact CG-CB 4.34Å; M28-Q33 PolarHBondContact O-N 3.16Å; M28-S34 VanDerWaalsContact SD-O 3.36Å; M28-A36 HydrophobicContact CB-CB 4.25Å; M28-P121 HydrophobicContact SD-CG 4.24Å; M28-D122 HydrophobicContact CE-CB 4.09Å; M28-D122 HydrophobicContact CG-CB 4Å; M28-D122 HydrophobicContact SD-CB 4.07Å |
| 29 | V | 88.5 | Confident | 88.7 | Confident | 50 Ų | 50 | 47.4 Ų | 47.4 | 30% | 0.303 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.2 | -50.8 | 173.7 | -178.5 | 0 | 0 | 0 | 0 | 111.2 | I23 G25 T26 R27 M31 G32 A36 V221 | I23-V29 HydrophobicContact CG2-CB 4.38Å; I23-V29 HydrophobicContact CG2-CG2 3.52Å; G25-V29 PolarHBondContact O-N 3.23Å; T26-V29 PolarHBondContact O-N 3.18Å; R27-V29 VanDerWaalsContact C-N 3.35Å; V29-M31 PolarHBondContact O-N 2.74Å; V29-G32 PolarHBondContact O-N 2.66Å; V29-G32 VanDerWaalsContact O-N 3.09Å; V29-A36 HydrophobicContact CG2-CB 3.3Å; V29-V221 HydrophobicContact CG1-CG1 4.15Å; V29-V221 HydrophobicContact CG2-CB 4.29Å; V29-V221 HydrophobicContact CG2-CG1 3.74Å |
| 30 | A | 90 | Very high | 88.7 | Confident | 88 Ų | 88 | 49.8 Ų | 49.8 | 73% | 0.727 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.2 | -28.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T26 R27 | T26-A30 WeakPolarHBondContact O-CB 3.42Å; T26-A30 PolarHBondContact O-N 3.27Å; R27-A30 PolarHBondContact O-N 2.9Å |
| 31 | M | 89.9 | Confident | 88.8 | Confident | 115 Ų | 115 | 47.4 Ų | 47.4 | 57% | 0.567 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 0.7 | 179.2 | -66.2 | -174.6 | 175.8 | 0 | 0 | 113.7 | R27 M28 V29 Q33 | R27-M31 HydrophobicContact CG-CE 3.75Å; R27-M31 HydrophobicContact CG-CG 4.23Å; R27-M31 HydrophobicContact CG-SD 3.75Å; R27-M31 WeakPolarHBondContact O-CB 3.41Å; R27-M31 WeakPolarHBondContact O-CG 3.49Å; R27-M31 PolarHBondContact O-N 2.93Å; M28-M31 CarbonylContact O-C 3.51Å; M28-M31 PolarHBondContact O-N 3.12Å; V29-M31 PolarHBondContact O-N 2.74Å; M31-Q33 VanDerWaalsContact C-N 3.27Å; M31-Q33 HydrophobicContact CB-CG 3.92Å; M31-Q33 PolarHBondContact O-N 3Å |
| 32 | G | 83.8 | Confident | 88.8 | Confident | 67 Ų | 67 | 48.6 Ų | 48.6 | 69% | 0.691 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 28.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | M28 V29 | M28-G32 PolarHBondContact O-N 2.64Å; V29-G32 PolarHBondContact O-N 2.66Å; V29-G32 VanDerWaalsContact O-N 3.09Å |
| 33 | Q | 87.2 | Confident | 88.9 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | trans | -86.1 | 155.3 | 176.4 | -61.9 | 174.7 | -15.8 | 0 | 0 | 110.9 | M28 M31 T222 | M28-Q33 HydrophobicContact CB-CB 3.95Å; M28-Q33 HydrophobicContact CG-CB 4.34Å; M28-Q33 PolarHBondContact O-N 3.16Å; M31-Q33 VanDerWaalsContact C-N 3.27Å; M31-Q33 HydrophobicContact CB-CG 3.92Å; M31-Q33 PolarHBondContact O-N 3Å; Q33-T222 VanDerWaalsContact O-CB 3.23Å; Q33-T222 WeakPolarHBondContact O-CB 3.4Å; Q33-T222 WeakPolarHBondContact O-CG2 3.28Å; Q33-T222 PolarHBondContact O-OG1 3.05Å | ||
| 34 | S | 86.2 | Confident | 89 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 53% | 0.531 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -67.4 | 168.2 | 178.6 | -66.2 | 0 | 0 | 0 | 0 | 113.7 | M28 A36 G223 | M28-S34 VanDerWaalsContact SD-O 3.36Å; S34-A36 PolarHBondContact O-N 3.28Å; S34-G223 WeakPolarHBondContact CA-O 3.33Å; S34-G223 WeakPolarHBondContact CB-O 3.32Å; S34-G223 PolarHBondContact OG-O 2.93Å |
| 35 | N | 84.6 | Confident | 89.2 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.193 | 29% | 0.29 | C | S | . | . | trans | 71.5 | 12.2 | 171.2 | -65.9 | -42.5 | 0 | 0 | 0 | 118 | T222 G223 G224 E225 | N35-T222 PolarHBondContact N-OG1 2.94Å; N35-G223 PolarHBondContact N-O 3.36Å; N35-G224 WeakPolarHBondContact OD1-CA 3.46Å; N35-E225 PolarHBondContact OD1-N 2.78Å | ||
| 36 | A | 88 | Confident | 89.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -76 | 136.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E24 M28 V29 S34 V221 T222 | E24-A36 WeakPolarHBondContact O-CA 3.43Å; M28-A36 HydrophobicContact CB-CB 4.25Å; V29-A36 HydrophobicContact CG2-CB 3.3Å; S34-A36 PolarHBondContact O-N 3.28Å; A36-V221 HydrophobicContact CB-CB 4.18Å; A36-V221 PolarHBondContact O-N 2.86Å; A36-T222 HydrophobicContact CB-CG2 4.32Å; A36-T222 WeakPolarHBondContact CB-OG1 3.44Å; A36-T222 PolarHBondContact N-OG1 2.99Å; A36-T222 PolarHBondContact O-N 2.93Å | ||
| 37 | L | 90.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 154.3 | -176 | -55.5 | -179.9 | 0 | 0 | 0 | 111.5 | I23 E24 V39 A126 T219 L226 V227 | I23-L37 CarbonylContact C-O 3.17Å; I23-L37 WeakPolarHBondContact CA-O 3.44Å; E24-L37 HydrophobicContact CB-CB 4.34Å; E24-L37 PolarHBondContact N-O 3.23Å; E24-L37 PolarHBondContact O-N 3.48Å; L37-V39 HydrophobicContact CB-CG1 3.7Å; L37-V39 HydrophobicContact CD1-CG1 4.09Å; L37-A126 HydrophobicContact CD1-CB 3.64Å; L37-A126 HydrophobicContact CG-CB 4.45Å; L37-T219 CarbonylContact C-O 3.56Å; L37-T219 VanDerWaalsContact CA-O 3.31Å; L37-T219 WeakPolarHBondContact CA-O 3.33Å; L37-L226 HydrophobicContact CD1-CD2 4.02Å; L37-V227 HydrophobicContact CD2-CG2 3.24Å |
| 38 | A | 91 | Very high | 90.2 | Very high | 31 Ų | 31 | 46 Ų | 46 | 26% | 0.256 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | P22 A218 T219 V221 | P22-A38 WeakPolarHBondContact O-CA 3.39Å; P22-A38 WeakPolarHBondContact O-CB 3.5Å; A38-A218 CarbonylContact O-C 3.56Å; A38-A218 WeakPolarHBondContact O-CA 3.37Å; A38-T219 PolarHBondContact N-O 3.4Å; A38-T219 PolarHBondContact O-N 3.27Å; A38-V221 HydrophobicContact CB-CG2 4.32Å |
| 39 | V | 91.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.9 | -172.2 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | D21 E24 L37 V125 I152 F216 S217 A218 | D21-V39 CarbonylContact C-O 3.6Å; D21-V39 HydrophobicContact CB-CG2 3.63Å; D21-V39 PolarHBondContact N-O 3.08Å; D21-V39 PolarHBondContact O-N 3.06Å; E24-V39 HydrophobicContact CB-CG2 4.44Å; L37-V39 HydrophobicContact CB-CG1 3.7Å; L37-V39 HydrophobicContact CD1-CG1 4.09Å; V39-V125 HydrophobicContact CG1-CG1 4.4Å; V39-V125 HydrophobicContact CG2-CG1 4.34Å; V39-I152 HydrophobicContact CB-CG2 4.4Å; V39-I152 HydrophobicContact CG2-CD1 4.29Å; V39-I152 HydrophobicContact CG2-CG2 4.02Å; V39-F216 HydrophobicContact CB-CE2 4.4Å; V39-F216 HydrophobicContact CB-CZ 4.42Å; V39-F216 HydrophobicContact CG1-CZ 4.22Å; V39-S217 WeakPolarHBondContact CA-O 3.47Å; V39-A218 HydrophobicContact CG1-CB 3.72Å |
| 40 | M | 91.8 | Very high | 90.5 | Very high | 65 Ų | 65 | 49.2 Ų | 49.2 | 32% | 0.32 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 153.1 | 170.3 | 65.6 | -173.7 | -40.5 | 0 | 0 | 111.4 | I18 A19 V20 F42 S217 | I18-M40 HydrophobicContact CG2-CE 4.06Å; A19-M40 CarbonylContact O-C 3.56Å; A19-M40 VanDerWaalsContact O-CA 3.23Å; A19-M40 WeakPolarHBondContact O-CA 3.32Å; V20-M40 HydrophobicContact CG1-CB 3.98Å; V20-M40 HydrophobicContact CG1-CE 4.23Å; M40-F42 HydrophobicContact CE-CE1 3.91Å; M40-F42 HydrophobicContact CE-CE2 3.52Å; M40-F42 HydrophobicContact CE-CZ 3.1Å; M40-F42 HydrophobicContact CG-CE2 3.83Å; M40-F42 HydrophobicContact CG-CZ 4.42Å; M40-F42 HydrophobicContact SD-CE2 3.73Å; M40-F42 HydrophobicContact SD-CZ 3.79Å; M40-S217 PolarHBondContact N-O 3.38Å; M40-S217 PolarHBondContact O-N 3.19Å |
| 41 | A | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I18 A19 C155 L215 F216 | I18-A41 WeakPolarHBondContact CA-O 3.29Å; A19-A41 PolarHBondContact N-O 3.5Å; A19-A41 PolarHBondContact O-N 3.23Å; A41-C155 HydrophobicContact CB-CB 3.58Å; A41-L215 CarbonylContact C-O 3.58Å; A41-L215 VanDerWaalsContact CA-O 3.22Å; A41-L215 WeakPolarHBondContact CA-O 3.34Å; A41-F216 HydrophobicContact CB-CD2 4.29Å |
| 42 | F | 91.5 | Very high | 90.2 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 23% | 0.228 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.1 | 176.9 | -54.7 | -103.7 | 0 | 0 | 0 | 109.6 | V16 D17 I18 M40 I214 L215 | V16-F42 HydrophobicContact CG2-CD1 4.29Å; D17-F42 WeakPolarHBondContact O-CA 3.41Å; I18-F42 HydrophobicContact CD1-CD1 4.05Å; I18-F42 HydrophobicContact CD1-CE1 3.81Å; I18-F42 HydrophobicContact CG1-CD1 3.74Å; I18-F42 HydrophobicContact CG1-CE1 3.98Å; I18-F42 HydrophobicContact CG2-CD1 4.21Å; I18-F42 HydrophobicContact CG2-CE1 4.09Å; M40-F42 HydrophobicContact CE-CE1 3.91Å; M40-F42 HydrophobicContact CE-CE2 3.52Å; M40-F42 HydrophobicContact CE-CZ 3.1Å; M40-F42 HydrophobicContact CG-CE2 3.83Å; M40-F42 HydrophobicContact CG-CZ 4.42Å; M40-F42 HydrophobicContact SD-CE2 3.73Å; M40-F42 HydrophobicContact SD-CZ 3.79Å; F42-I214 WeakPolarHBondContact O-CA 3.45Å; F42-L215 HydrophobicContact CB-CB 4.22Å; F42-L215 HydrophobicContact CD2-CB 4.18Å; F42-L215 HydrophobicContact CD2-CD2 3.87Å; F42-L215 HydrophobicContact CD2-CG 4.24Å; F42-L215 HydrophobicContact CE2-CD2 4.17Å; F42-L215 PolarHBondContact N-O 3.07Å; F42-L215 PolarHBondContact O-N 3.31Å |
| 43 | A | 92.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 165.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | V16 D17 L48 | V16-A43 CarbonylContact C-O 3.51Å; V16-A43 VanDerWaalsContact CA-O 3.26Å; V16-A43 WeakPolarHBondContact CA-O 3.32Å; V16-A43 VanDerWaalsContact CB-O 3.29Å; V16-A43 WeakPolarHBondContact CB-O 3.48Å; D17-A43 PolarHBondContact N-O 3.14Å; D17-A43 PolarHBondContact O-N 3.46Å; D17-A43 VanDerWaalsContact O-N 3.11Å; A43-L48 HydrophobicContact CB-CD2 3.64Å; A43-L48 HydrophobicContact CB-CG 3.95Å |
| 44 | P | 92.3 | Very high | 90.7 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 31% | 0.305 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.9 | 153.8 | 169.8 | -29 | 33.5 | 0 | 0 | 0 | 112.3 | D46 S47 D213 | P44-D46 PolarHBondContact O-N 2.88Å; P44-S47 WeakPolarHBondContact O-CB 3.46Å; P44-S47 PolarHBondContact O-N 3.16Å; P44-S47 VanDerWaalsContact O-N 3.14Å; P44-S47 PolarHBondContact O-OG 2.93Å; P44-D213 WeakPolarHBondContact CD-O 3.4Å; P44-D213 HydrophobicContact CG-CB 3.95Å |
| 45 | R | 92.9 | Very high | 91.1 | Very high | 131 Ų | 131 | 38 Ų | 38 | 49% | 0.494 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 139.4 | 175.8 | -173.9 | -176.9 | -177 | 148.6 | 16.7 | 111.9 | E15 S47 | E15-R45 HydrophobicContact CB-CB 4.03Å; E15-R45 PolarHBondContact O-N 3.46Å; E15-R45 IonicContact OE1-CZ 3.88Å; E15-R45 IonicContact OE1-NH1 3.3Å; E15-R45 PolarHBondContact OE1-NH1 3.18Å; E15-R45 WeakPolarHBondContact OE2-CD 3.35Å; E15-R45 IonicContact OE2-CZ 3.88Å; E15-R45 IonicContact OE2-NH1 3.58Å; E15-R45 PolarHBondContact OE2-NH1 3.09Å; R45-S47 PolarHBondContact O-N 2.87Å |
| 46 | D | 92.2 | Very high | 91.7 | Very high | 98 Ų | 98 | 36.2 Ų | 36.2 | 52% | 0.524 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 18 | -179.5 | -54.3 | -51.6 | 0 | 0 | 0 | 114.5 | D17 P44 | D17-D46 VanDerWaalsContact CG-N 3.3Å; D17-D46 PolarHBondContact OD1-N 3.04Å; D17-D46 VanDerWaalsContact OD2-CA 3.3Å; D17-D46 WeakPolarHBondContact OD2-CA 3.46Å; D17-D46 PolarHBondContact OD2-N 3.42Å; P44-D46 PolarHBondContact O-N 2.88Å |
| 47 | S | 94.2 | Very high | 92.2 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | trans | -93 | -24.6 | 177 | -75.7 | 0 | 0 | 0 | 0 | 113.8 | D17 P44 R45 V209 R210 | D17-S47 PolarHBondContact OD2-N 3.12Å; P44-S47 WeakPolarHBondContact O-CB 3.46Å; P44-S47 PolarHBondContact O-N 3.16Å; P44-S47 VanDerWaalsContact O-N 3.14Å; P44-S47 PolarHBondContact O-OG 2.93Å; R45-S47 PolarHBondContact O-N 2.87Å; S47-V209 CarbonylContact O-C 3.51Å; S47-V209 WeakPolarHBondContact O-CA 3.33Å; S47-R210 WeakPolarHBondContact CB-O 3.48Å; S47-R210 PolarHBondContact O-N 3.23Å; S47-R210 PolarHBondContact OG-O 3.05Å; S47-R210 VanDerWaalsContact OG-O 3.08Å | ||
| 48 | L | 94.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -92.1 | 139.3 | 179.2 | -58.9 | -173.5 | 0 | 0 | 0 | 110.9 | D17 A19 A43 H50 V151 C155 V209 | D17-L48 HydrophobicContact CB-CB 4.06Å; D17-L48 HydrophobicContact CB-CD1 3.8Å; D17-L48 HydrophobicContact CB-CG 3.73Å; D17-L48 PolarHBondContact OD2-N 3.21Å; D17-L48 VanDerWaalsContact OD2-N 3.08Å; A19-L48 HydrophobicContact CB-CD1 3.96Å; A43-L48 HydrophobicContact CB-CD2 3.64Å; A43-L48 HydrophobicContact CB-CG 3.95Å; L48-H50 PolarHBondContact O-N 2.94Å; L48-H50 VanDerWaalsContact O-N 3.14Å; L48-V151 HydrophobicContact CB-CG1 4.08Å; L48-V151 HydrophobicContact CD2-CG1 4.35Å; L48-C155 WeakPolarHBondContact CD2-SG 3.34Å; L48-V209 HydrophobicContact CD2-CB 4.32Å; L48-V209 HydrophobicContact CD2-CG1 3.82Å; L48-V209 HydrophobicContact CD2-CG2 3.91Å |
| 49 | L | 93.9 | Very high | 93 | Very high | 28 Ų | 28 | 36.5 Ų | 36.5 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | trans | -61.1 | 120.4 | 169.1 | -179.1 | 73.9 | 0 | 0 | 0 | 109.1 | A51 V151 V197 Y203 L208 | L49-A51 VanDerWaalsContact C-N 3.29Å; L49-A51 PolarHBondContact O-N 3.45Å; L49-V151 HydrophobicContact CB-CG2 4.34Å; L49-V197 HydrophobicContact CD1-CG1 3.73Å; L49-V197 HydrophobicContact CG-CG1 4.44Å; L49-Y203 HydrophobicContact CD1-CE1 4.3Å; L49-Y203 HydrophobicContact CD2-CD1 4.26Å; L49-Y203 HydrophobicContact CD2-CE1 4.37Å; L49-L208 HydrophobicContact CB-CD2 4.48Å; L49-L208 HydrophobicContact CD2-CD2 3.65Å; L49-L208 PolarHBondContact N-O 2.86Å | ||
| 50 | H | 90.2 | Very high | 93.3 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 43% | 0.426 | 18% | 0.177 | S | C | . | . | trans | -69.1 | 88.2 | 169.8 | -63.2 | -78 | 0 | 0 | 0 | 109.8 | L48 M195 | L48-H50 PolarHBondContact O-N 2.94Å; L48-H50 VanDerWaalsContact O-N 3.14Å; H50-M195 HydrophobicContact CB-CE 3.93Å; H50-M195 WeakPolarHBondContact O-CE 3.3Å | ||
| 51 | A | 85.1 | Confident | 93.6 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 7% | 0.074 | 16% | 0.162 | C | C | . | . | trans | -80.7 | 128 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L49 A147 V151 | L49-A51 VanDerWaalsContact C-N 3.29Å; L49-A51 PolarHBondContact O-N 3.45Å; A51-A147 HydrophobicContact CB-CB 3.97Å; A51-V151 HydrophobicContact CB-CG2 3.7Å | ||
| 52 | P | 86.8 | Confident | 93.8 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.013 | 16% | 0.164 | C | C | . | . | trans | -67.3 | 155.3 | 169.7 | 24.8 | -30.5 | 0 | 0 | 0 | 111.1 | M54 M195 V197 | P52-M54 VanDerWaalsContact C-N 3.34Å; P52-M54 HydrophobicContact CB-CG 4.46Å; P52-M54 HydrophobicContact CB-SD 4.4Å; P52-M54 HydrophobicContact CG-CG 3.94Å; P52-M54 HydrophobicContact CG-SD 3.57Å; P52-M54 VanDerWaalsContact CG-SD 3.57Å; P52-M54 PolarHBondContact O-N 3.42Å; P52-M195 HydrophobicContact CB-CE 4.41Å; P52-M195 HydrophobicContact CB-SD 3.75Å; P52-M195 HydrophobicContact CG-SD 4.41Å; P52-V197 HydrophobicContact CG-CG2 4.11Å | ||
| 53 | D | 88.4 | Confident | 93.9 | Very high | 112 Ų | 112 | 38.8 Ų | 38.8 | 60% | 0.599 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -69.5 | 89.7 | 171.4 | -177.1 | 22.6 | 0 | 0 | 0 | 110.6 | R191 | D53-R191 PolarHBondContact O-NH1 2.93Å; D53-R191 PolarHBondContact O-NH2 3.28Å |
| 54 | M | 93.2 | Very high | 94 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.034 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -157.4 | -177.1 | 179.9 | 70.4 | -177.6 | -70.3 | 0 | 0 | 110.7 | P52 A147 L168 I169 E188 C192 V199 | P52-M54 VanDerWaalsContact C-N 3.34Å; P52-M54 HydrophobicContact CB-CG 4.46Å; P52-M54 HydrophobicContact CB-SD 4.4Å; P52-M54 HydrophobicContact CG-CG 3.94Å; P52-M54 HydrophobicContact CG-SD 3.57Å; P52-M54 VanDerWaalsContact CG-SD 3.57Å; P52-M54 PolarHBondContact O-N 3.42Å; M54-A147 HydrophobicContact CG-CB 4.28Å; M54-A147 WeakPolarHBondContact O-CB 3.18Å; M54-A147 PolarHBondContact O-N 2.88Å; M54-L168 HydrophobicContact CE-CB 4.11Å; M54-L168 HydrophobicContact CG-CD2 4.11Å; M54-L168 HydrophobicContact SD-CB 4.21Å; M54-L168 HydrophobicContact SD-CD1 4.46Å; M54-L168 HydrophobicContact SD-CD2 4.13Å; M54-I169 WeakPolarHBondContact CE-O 3.43Å; M54-E188 HydrophobicContact CB-CG 3.99Å; M54-C192 PolarHBondContact SD-SG 3.41Å; M54-V199 HydrophobicContact CE-CG1 4.42Å; M54-V199 HydrophobicContact CE-CG2 4.06Å |
| 55 | Y | 95.9 | Very high | 94.2 | Very high | 46 Ų | 46 | 42 Ų | 42 | 18% | 0.18 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 148.5 | 178.1 | -74.9 | -74.8 | 0 | 0 | 0 | 113.5 | I144 G145 I169 F171 A174 K175 | Y55-I144 HydrophobicContact CD1-CG2 3.99Å; Y55-I144 HydrophobicContact CG-CG2 4.29Å; Y55-G145 CarbonylContact C-O 3.54Å; Y55-G145 WeakPolarHBondContact CA-O 3.19Å; Y55-G145 WeakPolarHBondContact CD1-O 3.39Å; Y55-I169 PolarHBondContact O-N 2.9Å; Y55-F171 HydrophobicContact CD2-CD2 4.29Å; Y55-F171 HydrophobicContact CE2-CD2 4.05Å; Y55-F171 AromaticContact CE2-CE2 3.98Å; Y55-F171 HydrophobicContact CE2-CE2 3.98Å; Y55-A174 HydrophobicContact CD1-CB 4.3Å; Y55-A174 HydrophobicContact CD2-CB 3.27Å; Y55-A174 HydrophobicContact CE2-CB 3.97Å; Y55-A174 HydrophobicContact CG-CB 3.48Å; Y55-A174 VanDerWaalsContact CG-CB 3.48Å; Y55-K175 HydrophobicContact CE2-CD 4.47Å; Y55-K175 VanDerWaalsContact CE2-CE 3.44Å; Y55-K175 HydrophobicContact CE2-CG 4.17Å; Y55-K175 WeakPolarHBondContact OH-CE 3.46Å; Y55-K175 PolarHBondContact OH-NZ 3.42Å |
| 56 | M | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 127.7 | 176.3 | -179.7 | -177.6 | -81.7 | 0 | 0 | 109.6 | K58 I144 G145 A147 A166 E167 L168 L208 | M56-K58 HydrophobicContact CG-CG 4.05Å; M56-K58 HydrophobicContact SD-CG 4.31Å; M56-I144 WeakPolarHBondContact O-CA 3.33Å; M56-G145 PolarHBondContact N-O 3.15Å; M56-G145 PolarHBondContact O-N 3.12Å; M56-A147 HydrophobicContact CB-CB 3.89Å; M56-A147 HydrophobicContact CE-CB 3.97Å; M56-A166 HydrophobicContact CE-CB 4.18Å; M56-A166 HydrophobicContact CG-CB 3.72Å; M56-A166 HydrophobicContact SD-CB 3.48Å; M56-A166 WeakPolarHBondContact SD-CB 3.46Å; M56-E167 CarbonylContact C-O 3.55Å; M56-E167 WeakPolarHBondContact CA-O 3.42Å; M56-L168 HydrophobicContact CB-CD2 4.4Å; M56-L168 HydrophobicContact CE-CD2 3.67Å; M56-L168 HydrophobicContact CE-CG 4.4Å; M56-L208 HydrophobicContact CE-CD2 4.14Å |
| 57 | K | 98.2 | Very high | 94.6 | Very high | 40 Ų | 40 | 36.6 Ų | 36.6 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134 | 165.6 | -172.8 | -166 | -64.5 | 159.3 | 0 | 108.1 | L71 Y142 T143 I144 A166 E167 | K57-L71 HydrophobicContact CB-CD2 4.49Å; K57-L71 HydrophobicContact CD-CD1 3.67Å; K57-L71 HydrophobicContact CD-CD2 4.05Å; K57-L71 HydrophobicContact CD-CG 3.91Å; K57-L71 HydrophobicContact CG-CD1 4.16Å; K57-L71 HydrophobicContact CG-CD2 4.31Å; K57-Y142 HydrophobicContact CD-CE2 4.14Å; K57-Y142 HydrophobicContact CG-CE2 4.23Å; K57-T143 CarbonylContact C-O 3.57Å; K57-T143 WeakPolarHBondContact CA-O 3.31Å; K57-I144 HydrophobicContact CB-CG1 4.23Å; K57-I144 HydrophobicContact CG-CG1 4.25Å; K57-A166 CarbonylContact O-C 3.48Å; K57-A166 WeakPolarHBondContact O-CA 3.5Å; K57-E167 HydrophobicContact CB-CB 4.28Å; K57-E167 PolarHBondContact N-O 3.4Å; K57-E167 IonicContact NZ-OE2 2.78Å; K57-E167 PolarHBondContact NZ-OE2 2.91Å; K57-E167 PolarHBondContact O-N 2.99Å |
| 58 | K | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.1 | -172.9 | -52.3 | 174.2 | -170.4 | 178.5 | 0 | 109.5 | M56 D124 M141 Y142 T143 G146 G150 M164 | M56-K58 HydrophobicContact CG-CG 4.05Å; M56-K58 HydrophobicContact SD-CG 4.31Å; K58-D124 WeakPolarHBondContact CE-OD2 3.32Å; K58-D124 IonicContact NZ-OD1 2.72Å; K58-D124 PolarHBondContact NZ-OD1 3.47Å; K58-D124 IonicContact NZ-OD2 2.85Å; K58-D124 PolarHBondContact NZ-OD2 2.83Å; K58-M141 HydrophobicContact CB-CE 4Å; K58-M141 HydrophobicContact CD-CE 4.38Å; K58-Y142 WeakPolarHBondContact O-CA 3.43Å; K58-T143 HydrophobicContact CB-CG2 4.02Å; K58-T143 HydrophobicContact CD-CG2 4.09Å; K58-T143 HydrophobicContact CG-CG2 4.4Å; K58-T143 PolarHBondContact N-O 3.16Å; K58-T143 PolarHBondContact O-N 2.94Å; K58-G146 WeakPolarHBondContact CE-O 3.33Å; K58-G146 PolarHBondContact NZ-O 3.19Å; K58-G150 VanDerWaalsContact CE-CA 3.44Å; K58-G150 VanDerWaalsContact NZ-N 3.13Å; K58-M164 HydrophobicContact CB-CE 4.17Å; K58-M164 HydrophobicContact CD-CE 4.3Å; K58-M164 HydrophobicContact CG-CE 4.05Å |
| 59 | L | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.1 | 170.3 | 175.7 | 59.5 | 0 | 0 | 0 | 108.5 | I69 L71 N78 V140 M141 Y142 M164 Q165 | L59-I69 HydrophobicContact CD1-CG2 4.47Å; L59-I69 HydrophobicContact CD2-CB 3.69Å; L59-I69 HydrophobicContact CD2-CD1 4.39Å; L59-I69 HydrophobicContact CD2-CG2 3.89Å; L59-I69 HydrophobicContact CG-CB 4.12Å; L59-I69 HydrophobicContact CG-CD1 4.05Å; L59-I69 HydrophobicContact CG-CG2 4.03Å; L59-L71 HydrophobicContact CB-CD1 3.73Å; L59-L71 HydrophobicContact CD2-CD1 4.16Å; L59-N78 HydrophobicContact CD2-CB 4.11Å; L59-N78 WeakPolarHBondContact CD2-OD1 3.46Å; L59-V140 HydrophobicContact CD1-CG2 3.51Å; L59-M141 VanDerWaalsContact CA-O 3.3Å; L59-M141 WeakPolarHBondContact CA-O 3.44Å; L59-M141 WeakPolarHBondContact CD1-O 3.03Å; L59-Y142 HydrophobicContact CD1-CD2 4.35Å; L59-M164 CarbonylContact O-C 3.49Å; L59-M164 VanDerWaalsContact O-CA 3.25Å; L59-M164 WeakPolarHBondContact O-CA 3.26Å; L59-Q165 PolarHBondContact N-O 3.07Å; L59-Q165 PolarHBondContact O-N 3.27Å |
| 60 | V | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.5 | -174.5 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | T131 V140 M141 V157 D163 M164 | V60-T131 HydrophobicContact CG1-CG2 4.2Å; V60-V140 WeakPolarHBondContact O-CA 3.47Å; V60-M141 HydrophobicContact CB-CB 4.12Å; V60-M141 HydrophobicContact CB-CE 4.06Å; V60-M141 HydrophobicContact CG2-CE 3.49Å; V60-M141 VanDerWaalsContact CG2-CE 3.49Å; V60-M141 PolarHBondContact N-O 2.79Å; V60-M141 PolarHBondContact O-N 2.83Å; V60-V157 HydrophobicContact CB-CG2 4.48Å; V60-V157 HydrophobicContact CG1-CB 4.45Å; V60-V157 HydrophobicContact CG1-CG1 4.11Å; V60-V157 HydrophobicContact CG1-CG2 3.43Å; V60-V157 VanDerWaalsContact CG1-CG2 3.43Å; V60-V157 HydrophobicContact CG2-CG2 4.18Å; V60-D163 WeakPolarHBondContact CA-O 3.26Å; V60-M164 HydrophobicContact CG2-CB 3.93Å; V60-M164 HydrophobicContact CG2-CG 3.69Å; V60-M164 HydrophobicContact CG2-SD 3.74Å |
| 61 | V | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 160.1 | 174.7 | -66.4 | 0 | 0 | 0 | 0 | 111 | A65 I69 V82 C132 V140 G162 D163 | V61-A65 HydrophobicContact CB-CB 3.83Å; V61-A65 HydrophobicContact CG1-CB 4.2Å; V61-A65 HydrophobicContact CG2-CB 4.03Å; V61-A65 WeakPolarHBondContact CG2-O 3.44Å; V61-I69 HydrophobicContact CG1-CG2 3.69Å; V61-I69 HydrophobicContact CG2-CD1 4.24Å; V61-I69 HydrophobicContact CG2-CG1 4.48Å; V61-I69 HydrophobicContact CG2-CG2 4.09Å; V61-V82 HydrophobicContact CG1-CG1 4.16Å; V61-V82 HydrophobicContact CG1-CG2 3.7Å; V61-C132 PolarHBondContact O-SG 2.85Å; V61-C132 VanDerWaalsContact O-SG 3.34Å; V61-V140 HydrophobicContact CG1-CB 4.22Å; V61-V140 HydrophobicContact CG1-CG2 3.97Å; V61-G162 VanDerWaalsContact O-CA 3.28Å; V61-G162 WeakPolarHBondContact O-CA 3.49Å; V61-D163 HydrophobicContact CG2-CB 3.82Å; V61-D163 PolarHBondContact N-O 3.36Å; V61-D163 PolarHBondContact O-N 3.43Å |
| 62 | N | 95.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 38 Ų | 38 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | trans | -76.5 | 173.9 | 172.3 | 66.6 | 37.7 | 0 | 0 | 0 | 112.5 | L64 A65 A66 T131 N136 | N62-L64 PolarHBondContact O-N 3.29Å; N62-L64 WeakPolarHBondContact OD1-CB 3.39Å; N62-L64 PolarHBondContact OD1-N 3.46Å; N62-A65 CarbonylContact O-C 3.48Å; N62-A65 PolarHBondContact O-N 2.84Å; N62-A66 PolarHBondContact O-N 2.83Å; N62-A66 VanDerWaalsContact O-N 3.16Å; N62-T131 WeakPolarHBondContact CB-O 3.41Å; N62-N136 PolarHBondContact ND2-ND2 3.15Å | ||
| 63 | R | 94.5 | Very high | 96.6 | Very high | 161 Ų | 161 | 41.1 Ų | 41.1 | 61% | 0.608 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -27.4 | 179.4 | 70.8 | -178.1 | -176.6 | 175 | 0.1 | 115.7 | A65 G161 | R63-A65 VanDerWaalsContact C-N 3.31Å; R63-G161 WeakPolarHBondContact CA-O 3.25Å; R63-G161 WeakPolarHBondContact CB-O 3.22Å |
| 64 | L | 95.1 | Very high | 97 | Very high | 117 Ų | 117 | 39.3 Ų | 39.3 | 61% | 0.613 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -20 | -178.1 | -57.8 | 176.7 | 0 | 0 | 0 | 112.4 | N62 L86 | N62-L64 PolarHBondContact O-N 3.29Å; N62-L64 WeakPolarHBondContact OD1-CB 3.39Å; N62-L64 PolarHBondContact OD1-N 3.46Å; L64-L86 HydrophobicContact CB-CD2 3.57Å; L64-L86 HydrophobicContact CD1-CD2 4.46Å |
| 65 | A | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -114.1 | 9.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V61 N62 R63 G67 A68 V82 A85 L86 | V61-A65 HydrophobicContact CB-CB 3.83Å; V61-A65 HydrophobicContact CG1-CB 4.2Å; V61-A65 HydrophobicContact CG2-CB 4.03Å; V61-A65 WeakPolarHBondContact CG2-O 3.44Å; N62-A65 CarbonylContact O-C 3.48Å; N62-A65 PolarHBondContact O-N 2.84Å; R63-A65 VanDerWaalsContact C-N 3.31Å; A65-G67 PolarHBondContact O-N 2.78Å; A65-A68 WeakPolarHBondContact O-CB 3.42Å; A65-A68 PolarHBondContact O-N 3.13Å; A65-V82 HydrophobicContact CB-CG1 4.05Å; A65-A85 HydrophobicContact CB-CB 4.11Å; A65-L86 HydrophobicContact CB-CD2 3.93Å; A65-L86 HydrophobicContact CB-CG 4.14Å |
| 66 | A | 96.4 | Very high | 97.3 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 41% | 0.413 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 133.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N62 A68 D163 | N62-A66 PolarHBondContact O-N 2.83Å; N62-A66 VanDerWaalsContact O-N 3.16Å; A66-A68 VanDerWaalsContact C-N 3.28Å; A66-A68 PolarHBondContact O-N 3.27Å; A66-D163 HydrophobicContact CB-CB 3.84Å |
| 67 | G | 97.1 | Very high | 97.4 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 69% | 0.691 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 1.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A65 D163 | A65-G67 PolarHBondContact O-N 2.78Å; G67-D163 WeakPolarHBondContact CA-OD2 3.23Å; G67-D163 PolarHBondContact N-OD2 2.96Å |
| 68 | A | 97.7 | Very high | 97.4 | Very high | 23 Ų | 23 | 39.6 Ų | 39.6 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | trans | -92.4 | -4.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | A65 A66 N81 A85 | A65-A68 WeakPolarHBondContact O-CB 3.42Å; A65-A68 PolarHBondContact O-N 3.13Å; A66-A68 VanDerWaalsContact C-N 3.28Å; A66-A68 PolarHBondContact O-N 3.27Å; A68-N81 WeakPolarHBondContact O-CB 3.38Å; A68-A85 HydrophobicContact CB-CB 3.84Å | ||
| 69 | I | 98.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | trans | -106.8 | 145.6 | -173.7 | 60 | 168 | 0 | 0 | 0 | 112.4 | L59 V61 N78 V82 D163 Q165 | L59-I69 HydrophobicContact CD1-CG2 4.47Å; L59-I69 HydrophobicContact CD2-CB 3.69Å; L59-I69 HydrophobicContact CD2-CD1 4.39Å; L59-I69 HydrophobicContact CD2-CG2 3.89Å; L59-I69 HydrophobicContact CG-CB 4.12Å; L59-I69 HydrophobicContact CG-CD1 4.05Å; L59-I69 HydrophobicContact CG-CG2 4.03Å; V61-I69 HydrophobicContact CG1-CG2 3.69Å; V61-I69 HydrophobicContact CG2-CD1 4.24Å; V61-I69 HydrophobicContact CG2-CG1 4.48Å; V61-I69 HydrophobicContact CG2-CG2 4.09Å; I69-N78 WeakPolarHBondContact CA-OD1 3.43Å; I69-V82 HydrophobicContact CG2-CG2 3.72Å; I69-D163 HydrophobicContact CD1-CB 4.34Å; I69-Q165 HydrophobicContact CD1-CB 4.4Å; I69-Q165 HydrophobicContact CD1-CG 4.15Å; I69-Q165 HydrophobicContact CG1-CG 4.43Å; I69-Q165 PolarHBondContact O-NE2 3.03Å | ||
| 70 | D | 98.3 | Very high | 97.4 | Very high | 57 Ų | 57 | 45.4 Ų | 45.4 | 31% | 0.305 | 26% | 0.258 | S | S | . | . | trans | -148.6 | 105.1 | 171.7 | -179.1 | -10.7 | 0 | 0 | 0 | 109.1 | S72 L73 N78 Q165 | D70-S72 VanDerWaalsContact CG-OG 3.22Å; D70-S72 PolarHBondContact O-N 3.24Å; D70-S72 VanDerWaalsContact O-N 3.12Å; D70-S72 VanDerWaalsContact OD1-CB 3.24Å; D70-S72 WeakPolarHBondContact OD1-CB 3.31Å; D70-S72 PolarHBondContact OD1-N 3.17Å; D70-S72 PolarHBondContact OD1-OG 3.08Å; D70-S72 PolarHBondContact OD2-OG 3.22Å; D70-L73 HydrophobicContact CB-CD1 3.87Å; D70-L73 HydrophobicContact CB-CG 3.88Å; D70-L73 WeakPolarHBondContact O-CB 3.49Å; D70-L73 PolarHBondContact O-N 2.73Å; D70-N78 PolarHBondContact N-OD1 2.78Å; D70-N78 PolarHBondContact O-ND2 2.71Å; D70-N78 PolarHBondContact O-OD1 2.78Å; D70-Q165 VanDerWaalsContact CA-OE1 3.26Å | ||
| 71 | L | 97.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.1 | -176 | -163.1 | 60.2 | 0 | 0 | 0 | 113.1 | K57 L59 L73 Y142 Q165 E167 V202 | K57-L71 HydrophobicContact CB-CD2 4.49Å; K57-L71 HydrophobicContact CD-CD1 3.67Å; K57-L71 HydrophobicContact CD-CD2 4.05Å; K57-L71 HydrophobicContact CD-CG 3.91Å; K57-L71 HydrophobicContact CG-CD1 4.16Å; K57-L71 HydrophobicContact CG-CD2 4.31Å; L59-L71 HydrophobicContact CB-CD1 3.73Å; L59-L71 HydrophobicContact CD2-CD1 4.16Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-Y142 HydrophobicContact CD1-CE2 4.04Å; L71-Q165 HydrophobicContact CB-CB 4.03Å; L71-Q165 HydrophobicContact CD2-CB 4.45Å; L71-E167 HydrophobicContact CD2-CB 3.85Å; L71-V202 HydrophobicContact CB-CG1 3.94Å; L71-V202 HydrophobicContact CB-CG2 4.09Å |
| 72 | S | 96.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 62% | 0.615 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -19.2 | 172.2 | 78.3 | 0 | 0 | 0 | 0 | 113 | D70 | D70-S72 VanDerWaalsContact CG-OG 3.22Å; D70-S72 PolarHBondContact O-N 3.24Å; D70-S72 VanDerWaalsContact O-N 3.12Å; D70-S72 VanDerWaalsContact OD1-CB 3.24Å; D70-S72 WeakPolarHBondContact OD1-CB 3.31Å; D70-S72 PolarHBondContact OD1-N 3.17Å; D70-S72 PolarHBondContact OD1-OG 3.08Å; D70-S72 PolarHBondContact OD2-OG 3.22Å |
| 73 | L | 97.6 | Very high | 97.5 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -82.5 | 155.9 | 174.5 | -59.1 | -179.4 | 0 | 0 | 0 | 111.5 | D70 L71 D77 N78 | D70-L73 HydrophobicContact CB-CD1 3.87Å; D70-L73 HydrophobicContact CB-CG 3.88Å; D70-L73 WeakPolarHBondContact O-CB 3.49Å; D70-L73 PolarHBondContact O-N 2.73Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L73-D77 HydrophobicContact CB-CB 4.34Å; L73-N78 PolarHBondContact O-ND2 3.42Å |
| 74 | P | 97.4 | Very high | 97.7 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | trans | -53.3 | 149.1 | 170.5 | -25.2 | 35 | 0 | 0 | 0 | 112.4 | T76 D77 N78 | P74-T76 PolarHBondContact O-N 3.13Å; P74-D77 PolarHBondContact O-N 3.03Å; P74-N78 PolarHBondContact O-N 2.9Å; P74-N78 PolarHBondContact O-ND2 3.37Å | ||
| 75 | L | 98 | Very high | 97.8 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.1 | -40.9 | 178 | 173.6 | 60.7 | 0 | 0 | 0 | 111 | D77 N78 L79 M95 A106 Y142 | L75-D77 VanDerWaalsContact C-N 3.27Å; L75-D77 PolarHBondContact O-N 2.92Å; L75-N78 PolarHBondContact O-N 3.39Å; L75-L79 HydrophobicContact CD1-CD1 4.04Å; L75-L79 HydrophobicContact CD1-CD2 4.27Å; L75-L79 HydrophobicContact CD1-CG 3.9Å; L75-L79 HydrophobicContact CD2-CD1 4.47Å; L75-L79 HydrophobicContact CG-CD1 3.85Å; L75-L79 HydrophobicContact CG-CG 4.19Å; L75-L79 WeakPolarHBondContact O-CG 3.38Å; L75-L79 PolarHBondContact O-N 2.97Å; L75-M95 HydrophobicContact CD1-SD 4.38Å; L75-M95 HydrophobicContact CD2-SD 4.47Å; L75-A106 HydrophobicContact CD2-CB 3.78Å; L75-Y142 HydrophobicContact CD1-CD1 4.25Å; L75-Y142 HydrophobicContact CD1-CD2 3.75Å; L75-Y142 HydrophobicContact CD1-CE2 4.17Å; L75-Y142 HydrophobicContact CD1-CG 3.77Å; L75-Y142 HydrophobicContact CD2-CD1 4.09Å; L75-Y142 HydrophobicContact CD2-CE1 4.19Å; L75-Y142 HydrophobicContact CD2-CG 4.44Å |
| 76 | T | 97.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 47.2 Ų | 47.2 | 15% | 0.153 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -49.8 | -44.2 | 173.5 | -67.7 | 0 | 0 | 0 | 0 | 113.8 | P74 R80 E109 L113 | P74-T76 PolarHBondContact O-N 3.13Å; T76-R80 VanDerWaalsContact CG2-NH1 3.29Å; T76-R80 WeakPolarHBondContact O-CG 3.39Å; T76-R80 PolarHBondContact O-N 3.16Å; T76-R80 VanDerWaalsContact O-N 3.15Å; T76-E109 WeakPolarHBondContact CB-OE1 3.49Å; T76-E109 PolarHBondContact N-OE1 3.26Å; T76-E109 PolarHBondContact OG1-OE1 2.96Å; T76-L113 HydrophobicContact CG2-CD1 3.85Å; T76-L113 HydrophobicContact CG2-CD2 3.92Å; T76-L113 HydrophobicContact CG2-CG 4.49Å |
| 77 | D | 98.3 | Very high | 97.8 | Very high | 60 Ų | 60 | 48.1 Ų | 48.1 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -75.4 | -38.4 | -176.7 | -70.3 | -17.7 | 0 | 0 | 0 | 111 | L73 P74 L75 R80 N81 | L73-D77 HydrophobicContact CB-CB 4.34Å; P74-D77 PolarHBondContact O-N 3.03Å; L75-D77 VanDerWaalsContact C-N 3.27Å; L75-D77 PolarHBondContact O-N 2.92Å; D77-R80 PolarHBondContact O-N 3.45Å; D77-R80 IonicContact OD1-NH1 2.71Å; D77-R80 PolarHBondContact OD1-NH1 2.82Å; D77-N81 WeakPolarHBondContact O-CB 3.13Å; D77-N81 PolarHBondContact O-N 3.45Å; D77-N81 PolarHBondContact O-ND2 2.7Å; D77-N81 PolarHBondContact O-OD1 3.46Å |
| 78 | N | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 170.9 | -81 | -74.1 | 0 | 0 | 0 | 112 | L59 I69 D70 L73 P74 L75 R80 N81 V82 | L59-N78 HydrophobicContact CD2-CB 4.11Å; L59-N78 WeakPolarHBondContact CD2-OD1 3.46Å; I69-N78 WeakPolarHBondContact CA-OD1 3.43Å; D70-N78 PolarHBondContact N-OD1 2.78Å; D70-N78 PolarHBondContact O-ND2 2.71Å; D70-N78 PolarHBondContact O-OD1 2.78Å; L73-N78 PolarHBondContact O-ND2 3.42Å; P74-N78 PolarHBondContact O-N 2.9Å; P74-N78 PolarHBondContact O-ND2 3.37Å; L75-N78 PolarHBondContact O-N 3.39Å; N78-R80 VanDerWaalsContact C-N 3.28Å; N78-R80 PolarHBondContact O-N 3.34Å; N78-N81 PolarHBondContact O-N 3.27Å; N78-N81 VanDerWaalsContact O-N 3.12Å; N78-V82 WeakPolarHBondContact O-CG2 3.48Å; N78-V82 PolarHBondContact O-N 3.46Å |
| 79 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 179.1 | -67.3 | 172.6 | 0 | 0 | 0 | 111.8 | L75 A83 L90 L93 M95 A110 L113 V115 V140 | L75-L79 HydrophobicContact CD1-CD1 4.04Å; L75-L79 HydrophobicContact CD1-CD2 4.27Å; L75-L79 HydrophobicContact CD1-CG 3.9Å; L75-L79 HydrophobicContact CD2-CD1 4.47Å; L75-L79 HydrophobicContact CG-CD1 3.85Å; L75-L79 HydrophobicContact CG-CG 4.19Å; L75-L79 WeakPolarHBondContact O-CG 3.38Å; L75-L79 PolarHBondContact O-N 2.97Å; L79-A83 WeakPolarHBondContact O-CB 3.34Å; L79-A83 PolarHBondContact O-N 2.56Å; L79-L90 HydrophobicContact CB-CD2 4.42Å; L79-L93 HydrophobicContact CB-CD2 4.22Å; L79-L93 HydrophobicContact CD2-CD2 3.88Å; L79-M95 HydrophobicContact CD2-SD 4.06Å; L79-A110 HydrophobicContact CD1-CB 3.84Å; L79-L113 HydrophobicContact CD1-CD1 3.92Å; L79-V115 HydrophobicContact CD1-CG2 4.16Å; L79-V140 HydrophobicContact CD2-CG1 3.86Å |
| 80 | R | 98.4 | Very high | 97.7 | Very high | 122 Ų | 122 | 52.5 Ų | 52.5 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 173.6 | -73.7 | 173.9 | -179.5 | 147.5 | 2.9 | 112.6 | T76 D77 N78 K84 L90 | T76-R80 VanDerWaalsContact CG2-NH1 3.29Å; T76-R80 WeakPolarHBondContact O-CG 3.39Å; T76-R80 PolarHBondContact O-N 3.16Å; T76-R80 VanDerWaalsContact O-N 3.15Å; D77-R80 PolarHBondContact O-N 3.45Å; D77-R80 IonicContact OD1-NH1 2.71Å; D77-R80 PolarHBondContact OD1-NH1 2.82Å; N78-R80 VanDerWaalsContact C-N 3.28Å; N78-R80 PolarHBondContact O-N 3.34Å; R80-K84 WeakPolarHBondContact O-CB 3.44Å; R80-K84 PolarHBondContact O-N 2.62Å; R80-L90 HydrophobicContact CG-CD1 4.19Å; R80-L90 HydrophobicContact CG-CD2 4.36Å |
| 81 | N | 98.4 | Very high | 97.7 | Very high | 64 Ų | 64 | 54.3 Ų | 54.3 | 34% | 0.342 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 178.8 | -68.7 | -17.1 | 0 | 0 | 0 | 111.5 | A68 D77 N78 K84 A85 | A68-N81 WeakPolarHBondContact O-CB 3.38Å; D77-N81 WeakPolarHBondContact O-CB 3.13Å; D77-N81 PolarHBondContact O-N 3.45Å; D77-N81 PolarHBondContact O-ND2 2.7Å; D77-N81 PolarHBondContact O-OD1 3.46Å; N78-N81 PolarHBondContact O-N 3.27Å; N78-N81 VanDerWaalsContact O-N 3.12Å; N81-K84 WeakPolarHBondContact O-CB 3.33Å; N81-K84 PolarHBondContact O-N 2.87Å; N81-A85 WeakPolarHBondContact O-CB 3.26Å; N81-A85 PolarHBondContact O-N 2.96Å |
| 82 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 176 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | V61 A65 I69 N78 K84 A85 L86 L93 V140 | V61-V82 HydrophobicContact CG1-CG1 4.16Å; V61-V82 HydrophobicContact CG1-CG2 3.7Å; A65-V82 HydrophobicContact CB-CG1 4.05Å; I69-V82 HydrophobicContact CG2-CG2 3.72Å; N78-V82 WeakPolarHBondContact O-CG2 3.48Å; N78-V82 PolarHBondContact O-N 3.46Å; V82-K84 VanDerWaalsContact C-N 3.29Å; V82-K84 PolarHBondContact O-N 3.22Å; V82-A85 PolarHBondContact O-N 2.71Å; V82-L86 HydrophobicContact CG1-CD1 3.74Å; V82-L86 HydrophobicContact CG1-CG 4.19Å; V82-L86 WeakPolarHBondContact O-CB 3.46Å; V82-L86 WeakPolarHBondContact O-CG 3.47Å; V82-L86 PolarHBondContact O-N 3.03Å; V82-L93 HydrophobicContact CG1-CD1 4.06Å; V82-V140 HydrophobicContact CG1-CB 4.35Å |
| 83 | A | 98.1 | Very high | 97.7 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 5% | 0.05 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.3 | -43.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L79 G87 K88 L90 L93 | L79-A83 WeakPolarHBondContact O-CB 3.34Å; L79-A83 PolarHBondContact O-N 2.56Å; A83-G87 PolarHBondContact O-N 3.45Å; A83-K88 CarbonylContact C-O 3.56Å; A83-K88 WeakPolarHBondContact CB-O 3.25Å; A83-K88 PolarHBondContact O-N 3.02Å; A83-L90 HydrophobicContact CB-CD2 3.88Å; A83-L90 HydrophobicContact CB-CG 4.41Å; A83-L93 HydrophobicContact CB-CD2 4.34Å |
| 84 | K | 98.2 | Very high | 97.7 | Very high | 177 Ų | 177 | 56.1 Ų | 56.1 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.2 | -45.4 | 175.5 | -177.2 | -176.3 | 176.1 | -172.3 | 0 | 112.2 | R80 N81 V82 G87 | R80-K84 WeakPolarHBondContact O-CB 3.44Å; R80-K84 PolarHBondContact O-N 2.62Å; N81-K84 WeakPolarHBondContact O-CB 3.33Å; N81-K84 PolarHBondContact O-N 2.87Å; V82-K84 VanDerWaalsContact C-N 3.29Å; V82-K84 PolarHBondContact O-N 3.22Å; K84-G87 PolarHBondContact O-N 3.25Å |
| 85 | A | 97.8 | Very high | 97.8 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A65 A68 N81 V82 G87 | A65-A85 HydrophobicContact CB-CB 4.11Å; A68-A85 HydrophobicContact CB-CB 3.84Å; N81-A85 WeakPolarHBondContact O-CB 3.26Å; N81-A85 PolarHBondContact O-N 2.96Å; V82-A85 PolarHBondContact O-N 2.71Å; A85-G87 VanDerWaalsContact C-N 3.3Å; A85-G87 PolarHBondContact O-N 2.78Å |
| 86 | L | 96.1 | Very high | 97.8 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -6.6 | 178.1 | -61.5 | -179.8 | 0 | 0 | 0 | 114 | L64 A65 V82 K88 L93 D139 | L64-L86 HydrophobicContact CB-CD2 3.57Å; L64-L86 HydrophobicContact CD1-CD2 4.46Å; A65-L86 HydrophobicContact CB-CD2 3.93Å; A65-L86 HydrophobicContact CB-CG 4.14Å; V82-L86 HydrophobicContact CG1-CD1 3.74Å; V82-L86 HydrophobicContact CG1-CG 4.19Å; V82-L86 WeakPolarHBondContact O-CB 3.46Å; V82-L86 WeakPolarHBondContact O-CG 3.47Å; V82-L86 PolarHBondContact O-N 3.03Å; L86-K88 HydrophobicContact CB-CB 4.49Å; L86-K88 HydrophobicContact CB-CD 4.3Å; L86-K88 HydrophobicContact CB-CG 4.15Å; L86-K88 PolarHBondContact O-N 3Å; L86-L93 HydrophobicContact CD1-CD1 4.02Å; L86-D139 HydrophobicContact CD1-CB 3.7Å |
| 87 | G | 96.8 | Very high | 97.7 | Very high | 69 Ų | 69 | 51.1 Ų | 51.1 | 71% | 0.711 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 27.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A83 K84 A85 | A83-G87 PolarHBondContact O-N 3.45Å; K84-G87 PolarHBondContact O-N 3.25Å; A85-G87 VanDerWaalsContact C-N 3.3Å; A85-G87 PolarHBondContact O-N 2.78Å |
| 88 | K | 96.2 | Very high | 97.6 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | trans | -105.9 | 140.3 | -179.1 | -69.5 | -176.9 | 178.2 | -178.1 | 0 | 110.7 | A83 L86 D139 | A83-K88 CarbonylContact C-O 3.56Å; A83-K88 WeakPolarHBondContact CB-O 3.25Å; A83-K88 PolarHBondContact O-N 3.02Å; L86-K88 HydrophobicContact CB-CB 4.49Å; L86-K88 HydrophobicContact CB-CD 4.3Å; L86-K88 HydrophobicContact CB-CG 4.15Å; L86-K88 PolarHBondContact O-N 3Å; K88-D139 IonicContact NZ-OD1 3.46Å; K88-D139 PolarHBondContact NZ-OD1 2.75Å; K88-D139 IonicContact NZ-OD2 3.44Å; K88-D139 PolarHBondContact NZ-OD2 3.07Å | ||
| 89 | P | 97.5 | Very high | 97.4 | Very high | 77 Ų | 77 | 53.5 Ų | 53.5 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | trans | -67.7 | 152.5 | 165.6 | 32.6 | -36.2 | 0 | 0 | 0 | 110.2 | D91 K92 L93 | P89-D91 VanDerWaalsContact CB-OD1 3.27Å; P89-D91 WeakPolarHBondContact CB-OD1 3.11Å; P89-D91 VanDerWaalsContact CG-OD1 3.27Å; P89-D91 WeakPolarHBondContact CG-OD1 3.21Å; P89-D91 PolarHBondContact O-N 3.31Å; P89-K92 HydrophobicContact CG-CB 4Å; P89-K92 HydrophobicContact CG-CG 3.65Å; P89-K92 PolarHBondContact O-N 2.77Å; P89-L93 PolarHBondContact O-N 3.17Å | ||
| 90 | L | 97.6 | Very high | 97.1 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -56.6 | -34.3 | -175.9 | -76.7 | 169.4 | 0 | 0 | 0 | 112.9 | L79 R80 A83 K92 L93 V115 | L79-L90 HydrophobicContact CB-CD2 4.42Å; R80-L90 HydrophobicContact CG-CD1 4.19Å; R80-L90 HydrophobicContact CG-CD2 4.36Å; A83-L90 HydrophobicContact CB-CD2 3.88Å; A83-L90 HydrophobicContact CB-CG 4.41Å; L90-K92 PolarHBondContact O-N 2.99Å; L90-L93 WeakPolarHBondContact O-CB 3.15Å; L90-L93 PolarHBondContact O-N 2.76Å; L90-L93 VanDerWaalsContact O-N 3.16Å; L90-V115 HydrophobicContact CD2-CG2 4.15Å; L90-V115 WeakPolarHBondContact O-CA 3.5Å |
| 91 | D | 97.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 55.2 Ų | 55.2 | 51% | 0.508 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -71.8 | -7.3 | 178.9 | 74.2 | -36.8 | 0 | 0 | 0 | 114.5 | P89 G114 | P89-D91 VanDerWaalsContact CB-OD1 3.27Å; P89-D91 WeakPolarHBondContact CB-OD1 3.11Å; P89-D91 VanDerWaalsContact CG-OD1 3.27Å; P89-D91 WeakPolarHBondContact CG-OD1 3.21Å; P89-D91 PolarHBondContact O-N 3.31Å; D91-G114 WeakPolarHBondContact CA-O 3.42Å |
| 92 | K | 96.9 | Very high | 96.7 | Very high | 131 Ų | 131 | 54.8 Ų | 54.8 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -110.7 | -5.4 | 172.9 | -59.9 | -60.5 | 177 | -166.3 | 0 | 113.1 | P89 L90 | P89-K92 HydrophobicContact CG-CB 4Å; P89-K92 HydrophobicContact CG-CG 3.65Å; P89-K92 PolarHBondContact O-N 2.77Å; L90-K92 PolarHBondContact O-N 2.99Å |
| 93 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -73.1 | 134.2 | 175.5 | -166.8 | 73.1 | 0 | 0 | 0 | 109.6 | L79 V82 A83 L86 P89 L90 V115 K116 D139 V140 | L79-L93 HydrophobicContact CB-CD2 4.22Å; L79-L93 HydrophobicContact CD2-CD2 3.88Å; V82-L93 HydrophobicContact CG1-CD1 4.06Å; A83-L93 HydrophobicContact CB-CD2 4.34Å; L86-L93 HydrophobicContact CD1-CD1 4.02Å; P89-L93 PolarHBondContact O-N 3.17Å; L90-L93 WeakPolarHBondContact O-CB 3.15Å; L90-L93 PolarHBondContact O-N 2.76Å; L90-L93 VanDerWaalsContact O-N 3.16Å; L93-V115 HydrophobicContact CB-CG1 4.25Å; L93-V115 HydrophobicContact CB-CG2 4.32Å; L93-V115 HydrophobicContact CD2-CG1 4.33Å; L93-V115 HydrophobicContact CD2-CG2 4.16Å; L93-V115 HydrophobicContact CG-CG1 4.4Å; L93-V115 WeakPolarHBondContact O-CG1 3.49Å; L93-K116 PolarHBondContact O-N 2.81Å; L93-D139 HydrophobicContact CD1-CB 3.57Å; L93-D139 HydrophobicContact CG-CB 4.3Å; L93-V140 HydrophobicContact CD2-CG1 4.32Å; L93-V140 HydrophobicContact CG-CG1 4.46Å | ||
| 94 | R | 98 | Very high | 96.5 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 27% | 0.272 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 108.6 | -178.6 | -62.4 | 178 | -65.5 | 168.4 | 7.6 | 110 | K116 F118 N136 P137 D139 V140 | R94-K116 CarbonylContact C-O 3.57Å; R94-K116 WeakPolarHBondContact CA-O 3.31Å; R94-K116 HydrophobicContact CG-CB 4.49Å; R94-F118 HydrophobicContact CB-CD2 4.33Å; R94-F118 HydrophobicContact CB-CE2 3.76Å; R94-F118 HydrophobicContact CG-CE2 3.86Å; R94-F118 HydrophobicContact CG-CZ 4.47Å; R94-N136 PolarHBondContact NH2-O 3.13Å; R94-N136 PolarHBondContact NH2-OD1 2.92Å; R94-P137 VanDerWaalsContact CD-O 3.26Å; R94-P137 WeakPolarHBondContact CD-O 3.46Å; R94-P137 PolarHBondContact NE-O 2.91Å; R94-P137 PolarHBondContact NH1-O 3.32Å; R94-D139 PolarHBondContact N-OD2 3.33Å; R94-D139 IonicContact NE-OD2 3.56Å; R94-D139 PolarHBondContact O-N 3.31Å; R94-V140 PolarHBondContact O-N 3.08Å |
| 95 | M | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.8 | 176.4 | -178 | 179.9 | 85.6 | 0 | 0 | 110.4 | L75 L79 A110 V115 K116 V117 F118 V140 | L75-M95 HydrophobicContact CD1-SD 4.38Å; L75-M95 HydrophobicContact CD2-SD 4.47Å; L79-M95 HydrophobicContact CD2-SD 4.06Å; M95-A110 HydrophobicContact CE-CB 3.45Å; M95-A110 VanDerWaalsContact CE-CB 3.45Å; M95-A110 HydrophobicContact SD-CB 3.91Å; M95-V115 HydrophobicContact CB-CG1 3.73Å; M95-K116 PolarHBondContact N-O 3.19Å; M95-V117 HydrophobicContact CE-CG1 3.84Å; M95-V117 HydrophobicContact CE-CG2 3.92Å; M95-V117 CarbonylContact O-C 3.49Å; M95-V117 WeakPolarHBondContact O-CA 3.42Å; M95-F118 PolarHBondContact O-N 3.32Å; M95-V140 CarbonylContact C-O 3.53Å; M95-V140 VanDerWaalsContact CA-O 3.28Å; M95-V140 WeakPolarHBondContact CA-O 3.36Å; M95-V140 HydrophobicContact CB-CG1 3.85Å; M95-V140 HydrophobicContact CG-CG1 4.04Å |
| 96 | V | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 143.5 | 170.3 | 66.5 | 0 | 0 | 0 | 0 | 111.3 | F118 L120 A127 Y138 V140 M141 Y142 | V96-F118 CarbonylContact C-O 3.54Å; V96-F118 WeakPolarHBondContact CA-O 3.26Å; V96-F118 HydrophobicContact CB-CB 4.5Å; V96-F118 HydrophobicContact CG2-CB 4.37Å; V96-L120 HydrophobicContact CG2-CD1 3.64Å; V96-L120 HydrophobicContact CG2-CG 3.87Å; V96-A127 HydrophobicContact CG1-CB 4.1Å; V96-A127 HydrophobicContact CG2-CB 3.96Å; V96-Y138 HydrophobicContact CB-CD1 3.71Å; V96-Y138 HydrophobicContact CB-CD2 3.74Å; V96-Y138 HydrophobicContact CB-CE1 4.11Å; V96-Y138 HydrophobicContact CB-CE2 4.16Å; V96-Y138 HydrophobicContact CB-CG 3.54Å; V96-Y138 HydrophobicContact CG1-CD1 4.37Å; V96-Y138 HydrophobicContact CG1-CD2 3.69Å; V96-Y138 HydrophobicContact CG1-CE2 4.43Å; V96-Y138 HydrophobicContact CG1-CG 3.69Å; V96-Y138 HydrophobicContact CG2-CD1 4.22Å; V96-Y138 HydrophobicContact CG2-CD2 3.93Å; V96-Y138 HydrophobicContact CG2-CE1 4.12Å; V96-Y138 HydrophobicContact CG2-CE2 3.84Å; V96-Y138 HydrophobicContact CG2-CG 4.16Å; V96-V140 PolarHBondContact N-O 2.86Å; V96-M141 HydrophobicContact CG1-CB 3.61Å; V96-M141 HydrophobicContact CG1-CG 3.85Å; V96-M141 WeakPolarHBondContact O-CA 3.25Å; V96-Y142 PolarHBondContact O-N 3.4Å |
| 97 | T | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 177.1 | -177.5 | -161 | 0 | 0 | 0 | 0 | 111 | L103 I107 V117 F118 A119 L120 Y142 | T97-L103 WeakPolarHBondContact OG1-CD1 3.37Å; T97-I107 HydrophobicContact CG2-CD1 4.05Å; T97-I107 HydrophobicContact CG2-CG1 3.81Å; T97-V117 HydrophobicContact CG2-CG1 3.8Å; T97-F118 PolarHBondContact N-O 2.92Å; T97-A119 HydrophobicContact CG2-CB 4.1Å; T97-A119 WeakPolarHBondContact O-CA 3.25Å; T97-L120 PolarHBondContact O-N 3.03Å; T97-Y142 WeakPolarHBondContact CB-O 3.39Å; T97-Y142 PolarHBondContact OG1-O 2.85Å |
| 98 | L | 94.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.7 | 172.9 | -65.7 | 178 | 0 | 0 | 0 | 111.7 | K100 L103 L120 D124 T143 | L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 HydrophobicContact CB-CG 3.93Å; L98-K100 PolarHBondContact O-N 3.16Å; L98-L103 HydrophobicContact CB-CD1 4.32Å; L98-L120 CarbonylContact C-O 3.59Å; L98-L120 WeakPolarHBondContact CA-O 3.24Å; L98-L120 HydrophobicContact CD2-CB 4.37Å; L98-D124 HydrophobicContact CD1-CB 4.09Å; L98-D124 HydrophobicContact CD2-CB 4.18Å; L98-D124 HydrophobicContact CG-CB 4.21Å; L98-T143 WeakPolarHBondContact CG-OG1 3.02Å |
| 99 | D | 94.5 | Very high | 96.6 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | trans | -76.3 | 79.5 | 172.8 | -175.7 | 18.7 | 0 | 0 | 0 | 110.7 | A119 L120 | D99-A119 HydrophobicContact CB-CB 3.96Å; D99-L120 PolarHBondContact N-O 3.46Å | ||
| 100 | K | 92.8 | Very high | 96.7 | Very high | 40 Ų | 40 | 49.7 Ų | 49.7 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -135 | 144.3 | 179.2 | -53.5 | -70.2 | -177.2 | -163.3 | 0 | 109.2 | L98 R102 L103 P121 D122 | L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 HydrophobicContact CB-CG 3.93Å; L98-K100 PolarHBondContact O-N 3.16Å; K100-R102 HydrophobicContact CB-CG 4.05Å; K100-R102 PolarHBondContact O-N 3.26Å; K100-L103 PolarHBondContact O-N 2.7Å; K100-P121 VanDerWaalsContact CE-O 3.3Å; K100-P121 WeakPolarHBondContact CE-O 3.47Å; K100-P121 PolarHBondContact NZ-O 2.79Å; K100-D122 IonicContact NZ-OD1 3.12Å; K100-D122 PolarHBondContact NZ-OD1 3.45Å; K100-D122 IonicContact NZ-OD2 2.64Å |
| 101 | P | 93.8 | Very high | 96.7 | Very high | 119 Ų | 119 | 51.4 Ų | 51.4 | 77% | 0.773 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -53.1 | -32.1 | -178.9 | -29.4 | 35.1 | 0 | 0 | 0 | 114.9 | L103 S104 | P101-L103 PolarHBondContact O-N 2.97Å; P101-S104 PolarHBondContact O-N 2.83Å; P101-S104 PolarHBondContact O-OG 3.26Å |
| 102 | R | 94.7 | Very high | 96.7 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 21% | 0.211 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -63.6 | -18.2 | 177.4 | 65 | -177.2 | 177.8 | -85 | 3.1 | 114.2 | K100 I144 A174 | K100-R102 HydrophobicContact CB-CG 4.05Å; K100-R102 PolarHBondContact O-N 3.26Å; R102-I144 VanDerWaalsContact CZ-O 3.31Å; R102-I144 PolarHBondContact NE-O 3.01Å; R102-I144 PolarHBondContact NH2-O 3.43Å; R102-A174 VanDerWaalsContact CB-O 3.29Å; R102-A174 WeakPolarHBondContact CB-O 3.47Å; R102-A174 VanDerWaalsContact CD-O 3.32Å; R102-A174 WeakPolarHBondContact CD-O 3.27Å |
| 103 | L | 96.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -105 | 1.7 | 179.9 | -58.3 | -159.5 | 0 | 0 | 0 | 113.7 | T97 L98 K100 P101 A105 A106 I107 I144 | T97-L103 WeakPolarHBondContact OG1-CD1 3.37Å; L98-L103 HydrophobicContact CB-CD1 4.32Å; K100-L103 PolarHBondContact O-N 2.7Å; P101-L103 PolarHBondContact O-N 2.97Å; L103-A105 VanDerWaalsContact C-N 3.28Å; L103-A105 PolarHBondContact O-N 2.87Å; L103-A106 PolarHBondContact O-N 3.2Å; L103-A106 VanDerWaalsContact O-N 3.09Å; L103-I107 HydrophobicContact CB-CD1 4.4Å; L103-I107 WeakPolarHBondContact O-CG1 3.42Å; L103-I107 PolarHBondContact O-N 3.25Å; L103-I144 HydrophobicContact CD2-CB 3.82Å; L103-I144 HydrophobicContact CD2-CD1 3.68Å; L103-I144 HydrophobicContact CD2-CG1 3.68Å |
| 104 | S | 96.5 | Very high | 96.7 | Very high | 66 Ų | 66 | 51.2 Ų | 51.2 | 46% | 0.462 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.8 | -40.4 | -179.1 | -60.7 | 0 | 0 | 0 | 0 | 112.8 | P101 I107 E108 | P101-S104 PolarHBondContact O-N 2.83Å; P101-S104 PolarHBondContact O-OG 3.26Å; S104-I107 PolarHBondContact O-N 2.81Å; S104-E108 WeakPolarHBondContact O-CB 3.44Å; S104-E108 PolarHBondContact O-N 2.81Å |
| 105 | A | 96.1 | Very high | 96.7 | Very high | 74 Ų | 74 | 48 Ų | 48 | 61% | 0.612 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L103 E108 E109 | L103-A105 VanDerWaalsContact C-N 3.28Å; L103-A105 PolarHBondContact O-N 2.87Å; A105-E108 PolarHBondContact O-N 3.33Å; A105-E109 WeakPolarHBondContact O-CB 3.26Å; A105-E109 PolarHBondContact O-N 2.98Å |
| 106 | A | 97.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.9 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L75 L103 A110 Y142 | L75-A106 HydrophobicContact CD2-CB 3.78Å; L103-A106 PolarHBondContact O-N 3.2Å; L103-A106 VanDerWaalsContact O-N 3.09Å; A106-A110 WeakPolarHBondContact O-CB 3.36Å; A106-A110 PolarHBondContact O-N 3.14Å; A106-Y142 HydrophobicContact CB-CD1 3.94Å; A106-Y142 HydrophobicContact CB-CE1 3.63Å |
| 107 | I | 98.1 | Very high | 96.7 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 174.1 | -67.8 | 167.1 | 0 | 0 | 0 | 110 | T97 L103 S104 T111 V117 A119 | T97-I107 HydrophobicContact CG2-CD1 4.05Å; T97-I107 HydrophobicContact CG2-CG1 3.81Å; L103-I107 HydrophobicContact CB-CD1 4.4Å; L103-I107 WeakPolarHBondContact O-CG1 3.42Å; L103-I107 PolarHBondContact O-N 3.25Å; S104-I107 PolarHBondContact O-N 2.81Å; I107-T111 VanDerWaalsContact O-CB 3.26Å; I107-T111 WeakPolarHBondContact O-CB 3.39Å; I107-T111 PolarHBondContact O-N 2.97Å; I107-T111 PolarHBondContact O-OG1 3.02Å; I107-V117 HydrophobicContact CG1-CG1 4.14Å; I107-V117 HydrophobicContact CG2-CG1 4.24Å; I107-A119 HydrophobicContact CD1-CB 4.38Å |
| 108 | E | 98 | Very high | 96.6 | Very high | 117 Ų | 117 | 58 Ų | 58 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 178 | -176 | 174.9 | -173.8 | 0 | 0 | 111.6 | S104 A105 A110 T111 Q112 | S104-E108 WeakPolarHBondContact O-CB 3.44Å; S104-E108 PolarHBondContact O-N 2.81Å; A105-E108 PolarHBondContact O-N 3.33Å; E108-A110 PolarHBondContact O-N 2.96Å; E108-T111 PolarHBondContact O-N 3.04Å; E108-Q112 HydrophobicContact CG-CG 4.35Å; E108-Q112 WeakPolarHBondContact O-CB 3.39Å; E108-Q112 VanDerWaalsContact O-CG 3.28Å; E108-Q112 WeakPolarHBondContact O-CG 3.46Å; E108-Q112 PolarHBondContact O-N 3.49Å; E108-Q112 PolarHBondContact OE1-NE2 3.45Å; E108-Q112 VanDerWaalsContact OE1-NE2 3.08Å |
| 109 | E | 97.8 | Very high | 96.6 | Very high | 61 Ų | 61 | 59.9 Ų | 59.9 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 177.5 | -175 | -178 | 170.2 | 0 | 0 | 111.8 | T76 A105 T111 Q112 L113 | T76-E109 WeakPolarHBondContact CB-OE1 3.49Å; T76-E109 PolarHBondContact N-OE1 3.26Å; T76-E109 PolarHBondContact OG1-OE1 2.96Å; A105-E109 WeakPolarHBondContact O-CB 3.26Å; A105-E109 PolarHBondContact O-N 2.98Å; E109-T111 PolarHBondContact O-N 2.66Å; E109-Q112 PolarHBondContact O-N 3.38Å; E109-L113 WeakPolarHBondContact O-CG 3.3Å; E109-L113 PolarHBondContact O-N 3.22Å |
| 110 | A | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L79 M95 A106 E108 Q112 L113 G114 V115 V117 | L79-A110 HydrophobicContact CD1-CB 3.84Å; M95-A110 HydrophobicContact CE-CB 3.45Å; M95-A110 VanDerWaalsContact CE-CB 3.45Å; M95-A110 HydrophobicContact SD-CB 3.91Å; A106-A110 WeakPolarHBondContact O-CB 3.36Å; A106-A110 PolarHBondContact O-N 3.14Å; E108-A110 PolarHBondContact O-N 2.96Å; A110-Q112 PolarHBondContact O-N 2.85Å; A110-L113 WeakPolarHBondContact O-CB 3.33Å; A110-L113 PolarHBondContact O-N 3.33Å; A110-G114 PolarHBondContact O-N 3.11Å; A110-V115 HydrophobicContact CB-CB 4.28Å; A110-V115 WeakPolarHBondContact O-CB 3.48Å; A110-V115 PolarHBondContact O-N 3.28Å; A110-V115 VanDerWaalsContact O-N 3.07Å; A110-V117 HydrophobicContact CB-CG2 3.79Å |
| 111 | T | 97.6 | Very high | 96.3 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 178.7 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | I107 E108 E109 L113 G114 | I107-T111 VanDerWaalsContact O-CB 3.26Å; I107-T111 WeakPolarHBondContact O-CB 3.39Å; I107-T111 PolarHBondContact O-N 2.97Å; I107-T111 PolarHBondContact O-OG1 3.02Å; E108-T111 PolarHBondContact O-N 3.04Å; E109-T111 PolarHBondContact O-N 2.66Å; T111-L113 PolarHBondContact O-N 3.48Å; T111-G114 PolarHBondContact O-N 3.45Å |
| 112 | Q | 97.5 | Very high | 96 | Very high | 145 Ų | 145 | 52.5 Ų | 52.5 | 68% | 0.678 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.4 | -27.4 | 176.2 | -73.9 | 178.1 | 9.3 | 0 | 0 | 112.7 | E108 E109 A110 G114 | E108-Q112 HydrophobicContact CG-CG 4.35Å; E108-Q112 WeakPolarHBondContact O-CB 3.39Å; E108-Q112 VanDerWaalsContact O-CG 3.28Å; E108-Q112 WeakPolarHBondContact O-CG 3.46Å; E108-Q112 PolarHBondContact O-N 3.49Å; E108-Q112 PolarHBondContact OE1-NE2 3.45Å; E108-Q112 VanDerWaalsContact OE1-NE2 3.08Å; E109-Q112 PolarHBondContact O-N 3.38Å; A110-Q112 PolarHBondContact O-N 2.85Å; Q112-G114 VanDerWaalsContact C-N 3.26Å; Q112-G114 PolarHBondContact O-N 3.26Å |
| 113 | L | 96.9 | Very high | 95.6 | Very high | 39 Ų | 39 | 50 Ų | 50 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -6.6 | 172.3 | -68.7 | 168.2 | 0 | 0 | 0 | 113.9 | T76 L79 E109 A110 T111 V115 | T76-L113 HydrophobicContact CG2-CD1 3.85Å; T76-L113 HydrophobicContact CG2-CD2 3.92Å; T76-L113 HydrophobicContact CG2-CG 4.49Å; L79-L113 HydrophobicContact CD1-CD1 3.92Å; E109-L113 WeakPolarHBondContact O-CG 3.3Å; E109-L113 PolarHBondContact O-N 3.22Å; A110-L113 WeakPolarHBondContact O-CB 3.33Å; A110-L113 PolarHBondContact O-N 3.33Å; T111-L113 PolarHBondContact O-N 3.48Å; L113-V115 HydrophobicContact CB-CG2 4.28Å |
| 114 | G | 97.4 | Very high | 95.5 | Very high | 39 Ų | 39 | 50.2 Ų | 50.2 | 40% | 0.402 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -0.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D91 A110 T111 Q112 | D91-G114 WeakPolarHBondContact CA-O 3.42Å; A110-G114 PolarHBondContact O-N 3.11Å; T111-G114 PolarHBondContact O-N 3.45Å; Q112-G114 VanDerWaalsContact C-N 3.26Å; Q112-G114 PolarHBondContact O-N 3.26Å |
| 115 | V | 98.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | trans | -65 | 137 | 179.1 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | L79 L90 L93 M95 A110 L113 V117 | L79-V115 HydrophobicContact CD1-CG2 4.16Å; L90-V115 HydrophobicContact CD2-CG2 4.15Å; L90-V115 WeakPolarHBondContact O-CA 3.5Å; L93-V115 HydrophobicContact CB-CG1 4.25Å; L93-V115 HydrophobicContact CB-CG2 4.32Å; L93-V115 HydrophobicContact CD2-CG1 4.33Å; L93-V115 HydrophobicContact CD2-CG2 4.16Å; L93-V115 HydrophobicContact CG-CG1 4.4Å; L93-V115 WeakPolarHBondContact O-CG1 3.49Å; M95-V115 HydrophobicContact CB-CG1 3.73Å; A110-V115 HydrophobicContact CB-CB 4.28Å; A110-V115 WeakPolarHBondContact O-CB 3.48Å; A110-V115 PolarHBondContact O-N 3.28Å; A110-V115 VanDerWaalsContact O-N 3.07Å; L113-V115 HydrophobicContact CB-CG2 4.28Å; V115-V117 PolarHBondContact O-N 3.11Å | ||
| 116 | K | 97.9 | Very high | 95.1 | Very high | 123 Ų | 123 | 43.8 Ų | 43.8 | 54% | 0.535 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 114.7 | 176 | -173 | 176.4 | -180 | -178.5 | 0 | 109.7 | L93 R94 M95 F118 | L93-K116 PolarHBondContact O-N 2.81Å; R94-K116 CarbonylContact C-O 3.57Å; R94-K116 WeakPolarHBondContact CA-O 3.31Å; R94-K116 HydrophobicContact CG-CB 4.49Å; M95-K116 PolarHBondContact N-O 3.19Å; K116-F118 HydrophobicContact CB-CE2 4.31Å; K116-F118 HydrophobicContact CD-CE2 3.71Å; K116-F118 HydrophobicContact CD-CZ 3.7Å; K116-F118 VanDerWaalsContact CE-CZ 3.41Å; K116-F118 HydrophobicContact CG-CD2 4.37Å; K116-F118 HydrophobicContact CG-CE2 3.68Å; K116-F118 HydrophobicContact CG-CZ 4.13Å |
| 117 | V | 97.9 | Very high | 94.9 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 21% | 0.212 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.2 | -178.4 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | M95 T97 I107 A110 V115 | M95-V117 HydrophobicContact CE-CG1 3.84Å; M95-V117 HydrophobicContact CE-CG2 3.92Å; M95-V117 CarbonylContact O-C 3.49Å; M95-V117 WeakPolarHBondContact O-CA 3.42Å; T97-V117 HydrophobicContact CG2-CG1 3.8Å; I107-V117 HydrophobicContact CG1-CG1 4.14Å; I107-V117 HydrophobicContact CG2-CG1 4.24Å; A110-V117 HydrophobicContact CB-CG2 3.79Å; V115-V117 PolarHBondContact O-N 3.11Å |
| 118 | F | 96.5 | Very high | 94.8 | Very high | 54 Ų | 54 | 41.7 Ų | 41.7 | 24% | 0.237 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 106.3 | 172.6 | -64.3 | -103.1 | 0 | 0 | 0 | 108.1 | R94 M95 V96 T97 K116 Y138 | R94-F118 HydrophobicContact CB-CD2 4.33Å; R94-F118 HydrophobicContact CB-CE2 3.76Å; R94-F118 HydrophobicContact CG-CE2 3.86Å; R94-F118 HydrophobicContact CG-CZ 4.47Å; M95-F118 PolarHBondContact O-N 3.32Å; V96-F118 CarbonylContact C-O 3.54Å; V96-F118 WeakPolarHBondContact CA-O 3.26Å; V96-F118 HydrophobicContact CB-CB 4.5Å; V96-F118 HydrophobicContact CG2-CB 4.37Å; T97-F118 PolarHBondContact N-O 2.92Å; K116-F118 HydrophobicContact CB-CE2 4.31Å; K116-F118 HydrophobicContact CD-CE2 3.71Å; K116-F118 HydrophobicContact CD-CZ 3.7Å; K116-F118 VanDerWaalsContact CE-CZ 3.41Å; K116-F118 HydrophobicContact CG-CD2 4.37Å; K116-F118 HydrophobicContact CG-CE2 3.68Å; K116-F118 HydrophobicContact CG-CZ 4.13Å; F118-Y138 HydrophobicContact CB-CD1 4.28Å; F118-Y138 HydrophobicContact CB-CE1 3.74Å; F118-Y138 AromaticContact CD1-CE1 3.84Å; F118-Y138 HydrophobicContact CD1-CE1 3.84Å; F118-Y138 HydrophobicContact CD2-CD1 4.07Å; F118-Y138 HydrophobicContact CD2-CE1 4.05Å; F118-Y138 HydrophobicContact CE1-CE1 4.41Å; F118-Y138 HydrophobicContact CG-CD1 4.1Å; F118-Y138 AromaticContact CG-CE1 3.62Å; F118-Y138 HydrophobicContact CG-CE1 3.62Å |
| 119 | A | 95.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 41% | 0.405 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 112 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | T97 D99 I107 | T97-A119 HydrophobicContact CG2-CB 4.1Å; T97-A119 WeakPolarHBondContact O-CA 3.25Å; D99-A119 HydrophobicContact CB-CB 3.96Å; I107-A119 HydrophobicContact CD1-CB 4.38Å |
| 120 | L | 91.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 14% | 0.141 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 143.2 | -177.4 | -56.8 | 179.6 | 0 | 0 | 0 | 111.3 | V96 T97 L98 D99 D122 A127 | V96-L120 HydrophobicContact CG2-CD1 3.64Å; V96-L120 HydrophobicContact CG2-CG 3.87Å; T97-L120 PolarHBondContact O-N 3.03Å; L98-L120 CarbonylContact C-O 3.59Å; L98-L120 WeakPolarHBondContact CA-O 3.24Å; L98-L120 HydrophobicContact CD2-CB 4.37Å; D99-L120 PolarHBondContact N-O 3.46Å; L120-D122 VanDerWaalsContact C-N 3.35Å; L120-D122 PolarHBondContact O-N 3.01Å; L120-A127 HydrophobicContact CD1-CB 3.83Å |
| 121 | P | 88 | Confident | 94.2 | Very high | 49 Ų | 49 | 33.7 Ų | 33.7 | 32% | 0.318 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -60.9 | -42.4 | -178 | 21.8 | -31.8 | 0 | 0 | 0 | 113.2 | R27 M28 K100 | R27-P121 VanDerWaalsContact NH2-CB 3.3Å; R27-P121 PolarHBondContact NH2-O 3.01Å; M28-P121 HydrophobicContact SD-CG 4.24Å; K100-P121 VanDerWaalsContact CE-O 3.3Å; K100-P121 WeakPolarHBondContact CE-O 3.47Å; K100-P121 PolarHBondContact NZ-O 2.79Å |
| 122 | D | 88.6 | Confident | 94 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -155.5 | 178.3 | 176.2 | -65.2 | -68.9 | 0 | 0 | 0 | 105.4 | R27 M28 K100 L120 | R27-D122 IonicContact CZ-OD2 3.56Å; R27-D122 VanDerWaalsContact CZ-OD2 3.27Å; R27-D122 IonicContact NE-OD2 2.73Å; R27-D122 PolarHBondContact NE-OD2 2.78Å; R27-D122 IonicContact NH2-OD2 3.42Å; R27-D122 PolarHBondContact NH2-OD2 2.83Å; M28-D122 HydrophobicContact CE-CB 4.09Å; M28-D122 HydrophobicContact CG-CB 4Å; M28-D122 HydrophobicContact SD-CB 4.07Å; K100-D122 IonicContact NZ-OD1 3.12Å; K100-D122 PolarHBondContact NZ-OD1 3.45Å; K100-D122 IonicContact NZ-OD2 2.64Å; L120-D122 VanDerWaalsContact C-N 3.35Å; L120-D122 PolarHBondContact O-N 3.01Å |
| 123 | G | 86.1 | Confident | 93.4 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | trans | 113 | 29.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | E24 A126 A127 | E24-G123 VanDerWaalsContact CD-CA 3.42Å; E24-G123 WeakPolarHBondContact OE1-CA 3.41Å; E24-G123 PolarHBondContact OE1-N 3.26Å; E24-G123 VanDerWaalsContact OE2-CA 3.32Å; E24-G123 WeakPolarHBondContact OE2-CA 3.35Å; G123-A126 PolarHBondContact O-N 3.02Å; G123-A127 WeakPolarHBondContact O-CB 3.34Å; G123-A127 PolarHBondContact O-N 3.07Å | ||
| 124 | D | 93.7 | Very high | 92.2 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -76.2 | -24.9 | -168.5 | 76.9 | -9.9 | 0 | 0 | 0 | 115.2 | E24 K58 L98 A127 S128 M141 T143 G145 | E24-D124 PolarHBondContact OE1-N 2.77Å; K58-D124 WeakPolarHBondContact CE-OD2 3.32Å; K58-D124 IonicContact NZ-OD1 2.72Å; K58-D124 PolarHBondContact NZ-OD1 3.47Å; K58-D124 IonicContact NZ-OD2 2.85Å; K58-D124 PolarHBondContact NZ-OD2 2.83Å; L98-D124 HydrophobicContact CD1-CB 4.09Å; L98-D124 HydrophobicContact CD2-CB 4.18Å; L98-D124 HydrophobicContact CG-CB 4.21Å; D124-A127 PolarHBondContact O-N 2.82Å; D124-S128 WeakPolarHBondContact O-CB 3.36Å; D124-S128 PolarHBondContact O-N 2.95Å; D124-M141 HydrophobicContact CB-SD 4.5Å; D124-T143 HydrophobicContact CB-CG2 4.13Å; D124-G145 WeakPolarHBondContact OD2-CA 3.44Å |
| 125 | V | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -51.5 | 168.9 | -177.6 | 0 | 0 | 0 | 0 | 110 | E24 V39 A127 S128 V129 E149 I152 F216 | E24-V125 HydrophobicContact CG-CB 4.1Å; E24-V125 HydrophobicContact CG-CG2 4.05Å; V39-V125 HydrophobicContact CG1-CG1 4.4Å; V39-V125 HydrophobicContact CG2-CG1 4.34Å; V125-A127 VanDerWaalsContact C-N 3.28Å; V125-A127 PolarHBondContact O-N 3.34Å; V125-S128 PolarHBondContact O-N 2.89Å; V125-S128 VanDerWaalsContact O-N 3.11Å; V125-S128 PolarHBondContact O-OG 3.32Å; V125-V129 WeakPolarHBondContact O-CG2 3.45Å; V125-V129 PolarHBondContact O-N 3.09Å; V125-V129 VanDerWaalsContact O-N 3.12Å; V125-E149 HydrophobicContact CG2-CB 3.74Å; V125-E149 HydrophobicContact CG2-CG 4.25Å; V125-I152 HydrophobicContact CG1-CG2 3.82Å; V125-I152 HydrophobicContact CG2-CG2 4.4Å; V125-F216 HydrophobicContact CG1-CE2 4.25Å; V125-F216 HydrophobicContact CG1-CZ 4.27Å |
| 126 | A | 91.1 | Very high | 90 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -43 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | L37 G123 S128 V129 L130 | L37-A126 HydrophobicContact CD1-CB 3.64Å; L37-A126 HydrophobicContact CG-CB 4.45Å; G123-A126 PolarHBondContact O-N 3.02Å; A126-S128 PolarHBondContact O-N 3Å; A126-V129 PolarHBondContact O-N 2.84Å; A126-L130 WeakPolarHBondContact O-CB 3.31Å; A126-L130 WeakPolarHBondContact O-CG 3.24Å; A126-L130 PolarHBondContact O-N 2.87Å |
| 127 | A | 93.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V96 L120 G123 D124 V125 V129 L130 T131 M141 | V96-A127 HydrophobicContact CG1-CB 4.1Å; V96-A127 HydrophobicContact CG2-CB 3.96Å; L120-A127 HydrophobicContact CD1-CB 3.83Å; G123-A127 WeakPolarHBondContact O-CB 3.34Å; G123-A127 PolarHBondContact O-N 3.07Å; D124-A127 PolarHBondContact O-N 2.82Å; V125-A127 VanDerWaalsContact C-N 3.28Å; V125-A127 PolarHBondContact O-N 3.34Å; A127-V129 PolarHBondContact O-N 3.34Å; A127-L130 PolarHBondContact O-N 3.48Å; A127-T131 PolarHBondContact O-N 2.95Å; A127-T131 PolarHBondContact O-OG1 2.82Å; A127-T131 VanDerWaalsContact O-OG1 3.09Å; A127-M141 HydrophobicContact CB-SD 3.89Å |
| 128 | S | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.6 | 72.4 | 0 | 0 | 0 | 0 | 112.5 | D124 V125 A126 T131 C132 S153 | D124-S128 WeakPolarHBondContact O-CB 3.36Å; D124-S128 PolarHBondContact O-N 2.95Å; V125-S128 PolarHBondContact O-N 2.89Å; V125-S128 VanDerWaalsContact O-N 3.11Å; V125-S128 PolarHBondContact O-OG 3.32Å; A126-S128 PolarHBondContact O-N 3Å; S128-T131 PolarHBondContact O-N 2.56Å; S128-C132 PolarHBondContact O-N 3.1Å; S128-S153 WeakPolarHBondContact CB-OG 3.35Å; S128-S153 VanDerWaalsContact OG-CB 3.26Å; S128-S153 WeakPolarHBondContact OG-CB 3.49Å; S128-S153 PolarHBondContact OG-OG 3.48Å |
| 129 | V | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 175.9 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | V125 A126 A127 T131 C132 W133 A156 L160 F216 L226 L245 | V125-V129 WeakPolarHBondContact O-CG2 3.45Å; V125-V129 PolarHBondContact O-N 3.09Å; V125-V129 VanDerWaalsContact O-N 3.12Å; A126-V129 PolarHBondContact O-N 2.84Å; A127-V129 PolarHBondContact O-N 3.34Å; V129-T131 PolarHBondContact O-N 3.35Å; V129-C132 PolarHBondContact O-N 3.36Å; V129-W133 HydrophobicContact CG1-CE3 3.94Å; V129-W133 HydrophobicContact CG1-CZ3 4.13Å; V129-W133 PolarHBondContact O-N 2.96Å; V129-W133 VanDerWaalsContact O-N 3.09Å; V129-A156 HydrophobicContact CG2-CB 3.75Å; V129-L160 HydrophobicContact CG1-CD1 4.04Å; V129-F216 HydrophobicContact CG2-CE1 4.17Å; V129-F216 HydrophobicContact CG2-CZ 4.01Å; V129-L226 HydrophobicContact CB-CD2 4.26Å; V129-L226 HydrophobicContact CG1-CD1 3.78Å; V129-L226 HydrophobicContact CG1-CD2 3.98Å; V129-L245 HydrophobicContact CG1-CD2 3.73Å |
| 130 | L | 92 | Very high | 89.3 | Confident | 10 Ų | 10 | 26 Ų | 26 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.6 | -35 | 178.8 | -76 | 169.4 | 0 | 0 | 0 | 111.6 | A126 A127 C132 W133 N136 P137 Y138 E225 L226 | A126-L130 WeakPolarHBondContact O-CB 3.31Å; A126-L130 WeakPolarHBondContact O-CG 3.24Å; A126-L130 PolarHBondContact O-N 2.87Å; A127-L130 PolarHBondContact O-N 3.48Å; L130-C132 VanDerWaalsContact C-N 3.31Å; L130-C132 PolarHBondContact O-N 3.01Å; L130-W133 PolarHBondContact O-N 3.49Å; L130-N136 WeakPolarHBondContact O-CB 3.37Å; L130-P137 HydrophobicContact CB-CG 4.3Å; L130-P137 HydrophobicContact CD2-CG 4.36Å; L130-Y138 HydrophobicContact CB-CD2 3.84Å; L130-Y138 HydrophobicContact CB-CE2 3.98Å; L130-Y138 HydrophobicContact CD1-CE2 3.9Å; L130-E225 HydrophobicContact CD1-CB 4.13Å; L130-E225 HydrophobicContact CD2-CB 4.31Å; L130-L226 HydrophobicContact CD2-CB 4.32Å; L130-L226 HydrophobicContact CD2-CD1 3.95Å; L130-L226 HydrophobicContact CG-CD1 4.35Å |
| 131 | T | 95.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.1 | -37.7 | 173.8 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | V60 N62 A127 S128 V129 | V60-T131 HydrophobicContact CG1-CG2 4.2Å; N62-T131 WeakPolarHBondContact CB-O 3.41Å; A127-T131 PolarHBondContact O-N 2.95Å; A127-T131 PolarHBondContact O-OG1 2.82Å; A127-T131 VanDerWaalsContact O-OG1 3.09Å; S128-T131 PolarHBondContact O-N 2.56Å; V129-T131 PolarHBondContact O-N 3.35Å |
| 132 | C | 93.3 | Very high | 90.2 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 7% | 0.068 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -88.3 | -6 | -178.3 | -61.5 | 0 | 0 | 0 | 0 | 114.2 | V61 S128 V129 L130 L160 | V61-C132 PolarHBondContact O-SG 2.85Å; V61-C132 VanDerWaalsContact O-SG 3.34Å; S128-C132 PolarHBondContact O-N 3.1Å; V129-C132 PolarHBondContact O-N 3.36Å; L130-C132 VanDerWaalsContact C-N 3.31Å; L130-C132 PolarHBondContact O-N 3.01Å; C132-L160 HydrophobicContact CB-CB 3.72Å; C132-L160 HydrophobicContact CB-CD1 3.73Å; C132-L160 HydrophobicContact CB-CG 4.39Å |
| 133 | W | 85.1 | Confident | 90.6 | Very high | 58 Ų | 58 | 22.5 Ų | 22.5 | 22% | 0.22 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -68.5 | 154.3 | -177.3 | -147.7 | -110.3 | 0 | 0 | 0 | 113.2 | V129 L130 N136 L160 L226 L245 L262 | V129-W133 HydrophobicContact CG1-CE3 3.94Å; V129-W133 HydrophobicContact CG1-CZ3 4.13Å; V129-W133 PolarHBondContact O-N 2.96Å; V129-W133 VanDerWaalsContact O-N 3.09Å; L130-W133 PolarHBondContact O-N 3.49Å; W133-N136 HydrophobicContact CB-CB 4.25Å; W133-N136 VanDerWaalsContact O-CB 3.31Å; W133-N136 WeakPolarHBondContact O-CB 3.41Å; W133-N136 PolarHBondContact O-N 2.84Å; W133-N136 PolarHBondContact O-ND2 2.79Å; W133-L160 HydrophobicContact CE3-CD1 3.96Å; W133-L160 HydrophobicContact CE3-CD2 4.12Å; W133-L160 HydrophobicContact CZ3-CD1 4.14Å; W133-L160 HydrophobicContact CZ3-CD2 3.87Å; W133-L226 HydrophobicContact CE3-CD1 4.48Å; W133-L245 HydrophobicContact CH2-CD1 3.26Å; W133-L245 HydrophobicContact CZ2-CD1 4.34Å; W133-L245 HydrophobicContact CZ3-CD1 3.57Å; W133-L245 HydrophobicContact CZ3-CD2 4.44Å; W133-L262 HydrophobicContact CH2-CD1 3.39Å; W133-L262 HydrophobicContact CH2-CD2 3.79Å; W133-L262 HydrophobicContact CH2-CG 4.18Å; W133-L262 HydrophobicContact CZ2-CD1 3.58Å; W133-L262 HydrophobicContact CZ2-CD2 3.9Å; W133-L262 HydrophobicContact CZ2-CG 4.19Å |
| 134 | Q | 72.1 | Confident | 91.1 | Very high | 127 Ų | 127 | 23.1 Ų | 23.1 | 59% | 0.593 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -50.5 | -178.6 | -69.6 | -169.8 | -1.9 | 0 | 0 | 112 | N136 | Q134-N136 VanDerWaalsContact C-N 3.32Å; Q134-N136 PolarHBondContact O-N 3.26Å |
| 135 | D | 74.6 | Confident | 91.2 | Very high | 152 Ų | 152 | 22.9 Ų | 22.9 | 81% | 0.813 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 58.3 | 173.7 | -66.7 | -43.4 | 0 | 0 | 0 | 110.3 | ||
| 136 | N | 75.6 | Confident | 91.1 | Very high | 24 Ų | 24 | 23.6 Ų | 23.6 | 13% | 0.128 | 12% | 0.122 | C | C | . | . | trans | -73.6 | 143.8 | -175.7 | 59 | 74.4 | 0 | 0 | 0 | 113.4 | N62 R94 L130 W133 Q134 Y138 | N62-N136 PolarHBondContact ND2-ND2 3.15Å; R94-N136 PolarHBondContact NH2-O 3.13Å; R94-N136 PolarHBondContact NH2-OD1 2.92Å; L130-N136 WeakPolarHBondContact O-CB 3.37Å; W133-N136 HydrophobicContact CB-CB 4.25Å; W133-N136 VanDerWaalsContact O-CB 3.31Å; W133-N136 WeakPolarHBondContact O-CB 3.41Å; W133-N136 PolarHBondContact O-N 2.84Å; W133-N136 PolarHBondContact O-ND2 2.79Å; Q134-N136 VanDerWaalsContact C-N 3.32Å; Q134-N136 PolarHBondContact O-N 3.26Å; N136-Y138 VanDerWaalsContact C-N 3.32Å; N136-Y138 VanDerWaalsContact CG-O 3.3Å; N136-Y138 PolarHBondContact OD1-O 3.07Å | ||
| 137 | P | 82.4 | Confident | 91.2 | Very high | 29 Ų | 29 | 23.3 Ų | 23.3 | 19% | 0.188 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -78.4 | -14.2 | 165.3 | 29.7 | -31.8 | 0 | 0 | 0 | 113.2 | R94 L130 | R94-P137 VanDerWaalsContact CD-O 3.26Å; R94-P137 WeakPolarHBondContact CD-O 3.46Å; R94-P137 PolarHBondContact NE-O 2.91Å; R94-P137 PolarHBondContact NH1-O 3.32Å; L130-P137 HydrophobicContact CB-CG 4.3Å; L130-P137 HydrophobicContact CD2-CG 4.36Å |
| 138 | Y | 95.2 | Very high | 91.1 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 2% | 0.02 | 13% | 0.132 | C | C | . | . | trans | -130.1 | 134.5 | -169.8 | -47.1 | -50.5 | 0 | 0 | 0 | 112.3 | V96 F118 L130 N136 E225 | V96-Y138 HydrophobicContact CB-CD1 3.71Å; V96-Y138 HydrophobicContact CB-CD2 3.74Å; V96-Y138 HydrophobicContact CB-CE1 4.11Å; V96-Y138 HydrophobicContact CB-CE2 4.16Å; V96-Y138 HydrophobicContact CB-CG 3.54Å; V96-Y138 HydrophobicContact CG1-CD1 4.37Å; V96-Y138 HydrophobicContact CG1-CD2 3.69Å; V96-Y138 HydrophobicContact CG1-CE2 4.43Å; V96-Y138 HydrophobicContact CG1-CG 3.69Å; V96-Y138 HydrophobicContact CG2-CD1 4.22Å; V96-Y138 HydrophobicContact CG2-CD2 3.93Å; V96-Y138 HydrophobicContact CG2-CE1 4.12Å; V96-Y138 HydrophobicContact CG2-CE2 3.84Å; V96-Y138 HydrophobicContact CG2-CG 4.16Å; F118-Y138 HydrophobicContact CB-CD1 4.28Å; F118-Y138 HydrophobicContact CB-CE1 3.74Å; F118-Y138 AromaticContact CD1-CE1 3.84Å; F118-Y138 HydrophobicContact CD1-CE1 3.84Å; F118-Y138 HydrophobicContact CD2-CD1 4.07Å; F118-Y138 HydrophobicContact CD2-CE1 4.05Å; F118-Y138 HydrophobicContact CE1-CE1 4.41Å; F118-Y138 HydrophobicContact CG-CD1 4.1Å; F118-Y138 AromaticContact CG-CE1 3.62Å; F118-Y138 HydrophobicContact CG-CE1 3.62Å; L130-Y138 HydrophobicContact CB-CD2 3.84Å; L130-Y138 HydrophobicContact CB-CE2 3.98Å; L130-Y138 HydrophobicContact CD1-CE2 3.9Å; N136-Y138 VanDerWaalsContact C-N 3.32Å; N136-Y138 VanDerWaalsContact CG-O 3.3Å; N136-Y138 PolarHBondContact OD1-O 3.07Å; Y138-E225 PolarHBondContact OH-OE2 2.88Å | ||
| 139 | D | 96.7 | Very high | 91 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -88.4 | -30.7 | 179.1 | -63.5 | -54.6 | 0 | 0 | 0 | 112.5 | L86 K88 L93 R94 | L86-D139 HydrophobicContact CD1-CB 3.7Å; K88-D139 IonicContact NZ-OD1 3.46Å; K88-D139 PolarHBondContact NZ-OD1 2.75Å; K88-D139 IonicContact NZ-OD2 3.44Å; K88-D139 PolarHBondContact NZ-OD2 3.07Å; L93-D139 HydrophobicContact CD1-CB 3.57Å; L93-D139 HydrophobicContact CG-CB 4.3Å; R94-D139 PolarHBondContact N-OD2 3.33Å; R94-D139 IonicContact NE-OD2 3.56Å; R94-D139 PolarHBondContact O-N 3.31Å |
| 140 | V | 98 | Very high | 91.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 139.9 | -177.6 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | L59 V60 V61 L79 V82 L93 R94 M95 V96 | L59-V140 HydrophobicContact CD1-CG2 3.51Å; V60-V140 WeakPolarHBondContact O-CA 3.47Å; V61-V140 HydrophobicContact CG1-CB 4.22Å; V61-V140 HydrophobicContact CG1-CG2 3.97Å; L79-V140 HydrophobicContact CD2-CG1 3.86Å; V82-V140 HydrophobicContact CG1-CB 4.35Å; L93-V140 HydrophobicContact CD2-CG1 4.32Å; L93-V140 HydrophobicContact CG-CG1 4.46Å; R94-V140 PolarHBondContact O-N 3.08Å; M95-V140 CarbonylContact C-O 3.53Å; M95-V140 VanDerWaalsContact CA-O 3.28Å; M95-V140 WeakPolarHBondContact CA-O 3.36Å; M95-V140 HydrophobicContact CB-CG1 3.85Å; M95-V140 HydrophobicContact CG-CG1 4.04Å; V96-V140 PolarHBondContact N-O 2.86Å |
| 141 | M | 98.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.5 | 165.4 | -179.3 | -178.6 | 75 | 0 | 0 | 109.2 | K58 L59 V60 V96 D124 A127 T143 | K58-M141 HydrophobicContact CB-CE 4Å; K58-M141 HydrophobicContact CD-CE 4.38Å; L59-M141 VanDerWaalsContact CA-O 3.3Å; L59-M141 WeakPolarHBondContact CA-O 3.44Å; L59-M141 WeakPolarHBondContact CD1-O 3.03Å; V60-M141 HydrophobicContact CB-CB 4.12Å; V60-M141 HydrophobicContact CB-CE 4.06Å; V60-M141 HydrophobicContact CG2-CE 3.49Å; V60-M141 VanDerWaalsContact CG2-CE 3.49Å; V60-M141 PolarHBondContact N-O 2.79Å; V60-M141 PolarHBondContact O-N 2.83Å; V96-M141 HydrophobicContact CG1-CB 3.61Å; V96-M141 HydrophobicContact CG1-CG 3.85Å; V96-M141 WeakPolarHBondContact O-CA 3.25Å; D124-M141 HydrophobicContact CB-SD 4.5Å; A127-M141 HydrophobicContact CB-SD 3.89Å; M141-T143 HydrophobicContact CE-CG2 4.02Å; M141-T143 HydrophobicContact CG-CG2 4.16Å; M141-T143 HydrophobicContact SD-CG2 3.96Å |
| 142 | Y | 98.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 27.5 Ų | 27.5 | 14% | 0.137 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 117.8 | 166.2 | 179.8 | -91.5 | 0 | 0 | 0 | 108.9 | K57 K58 L59 L71 L75 V96 T97 A106 | K57-Y142 HydrophobicContact CD-CE2 4.14Å; K57-Y142 HydrophobicContact CG-CE2 4.23Å; K58-Y142 WeakPolarHBondContact O-CA 3.43Å; L59-Y142 HydrophobicContact CD1-CD2 4.35Å; L71-Y142 HydrophobicContact CD1-CE2 4.04Å; L75-Y142 HydrophobicContact CD1-CD1 4.25Å; L75-Y142 HydrophobicContact CD1-CD2 3.75Å; L75-Y142 HydrophobicContact CD1-CE2 4.17Å; L75-Y142 HydrophobicContact CD1-CG 3.77Å; L75-Y142 HydrophobicContact CD2-CD1 4.09Å; L75-Y142 HydrophobicContact CD2-CE1 4.19Å; L75-Y142 HydrophobicContact CD2-CG 4.44Å; V96-Y142 PolarHBondContact O-N 3.4Å; T97-Y142 WeakPolarHBondContact CB-O 3.39Å; T97-Y142 PolarHBondContact OG1-O 2.85Å; A106-Y142 HydrophobicContact CB-CD1 3.94Å; A106-Y142 HydrophobicContact CB-CE1 3.63Å |
| 143 | T | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 168.3 | -176.4 | -167.8 | 0 | 0 | 0 | 0 | 113.3 | K57 K58 L98 D124 M141 | K57-T143 CarbonylContact C-O 3.57Å; K57-T143 WeakPolarHBondContact CA-O 3.31Å; K58-T143 HydrophobicContact CB-CG2 4.02Å; K58-T143 HydrophobicContact CD-CG2 4.09Å; K58-T143 HydrophobicContact CG-CG2 4.4Å; K58-T143 PolarHBondContact N-O 3.16Å; K58-T143 PolarHBondContact O-N 2.94Å; L98-T143 WeakPolarHBondContact CG-OG1 3.02Å; D124-T143 HydrophobicContact CB-CG2 4.13Å; M141-T143 HydrophobicContact CE-CG2 4.02Å; M141-T143 HydrophobicContact CG-CG2 4.16Å; M141-T143 HydrophobicContact SD-CG2 3.96Å |
| 144 | I | 97.5 | Very high | 92 | Very high | 15 Ų | 15 | 24.2 Ų | 24.2 | 8% | 0.077 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 107.8 | 165.3 | -63.6 | 171.3 | 0 | 0 | 0 | 107.1 | Y55 M56 K57 R102 L103 I169 A174 | Y55-I144 HydrophobicContact CD1-CG2 3.99Å; Y55-I144 HydrophobicContact CG-CG2 4.29Å; M56-I144 WeakPolarHBondContact O-CA 3.33Å; K57-I144 HydrophobicContact CB-CG1 4.23Å; K57-I144 HydrophobicContact CG-CG1 4.25Å; R102-I144 VanDerWaalsContact CZ-O 3.31Å; R102-I144 PolarHBondContact NE-O 3.01Å; R102-I144 PolarHBondContact NH2-O 3.43Å; L103-I144 HydrophobicContact CD2-CB 3.82Å; L103-I144 HydrophobicContact CD2-CD1 3.68Å; L103-I144 HydrophobicContact CD2-CG1 3.68Å; I144-I169 HydrophobicContact CD1-CD1 3.84Å; I144-I169 HydrophobicContact CG1-CD1 4.18Å; I144-I169 HydrophobicContact CG2-CD1 3.67Å; I144-I169 HydrophobicContact CG2-CG1 4.49Å; I144-A174 HydrophobicContact CG2-CB 4.41Å |
| 145 | G | 94.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | -170.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y55 M56 D124 | Y55-G145 CarbonylContact C-O 3.54Å; Y55-G145 WeakPolarHBondContact CA-O 3.19Å; Y55-G145 WeakPolarHBondContact CD1-O 3.39Å; M56-G145 PolarHBondContact N-O 3.15Å; M56-G145 PolarHBondContact O-N 3.12Å; D124-G145 WeakPolarHBondContact OD2-CA 3.44Å |
| 146 | G | 92.8 | Very high | 94 | Very high | 15 Ų | 15 | 11 Ų | 11 | 16% | 0.155 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 145.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K58 E149 G150 | K58-G146 WeakPolarHBondContact CE-O 3.33Å; K58-G146 PolarHBondContact NZ-O 3.19Å; G146-E149 WeakPolarHBondContact CA-OE2 3.49Å; G146-G150 PolarHBondContact O-N 3.3Å |
| 147 | A | 93.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.2 | -41.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A51 M54 M56 E149 G150 V151 L168 | A51-A147 HydrophobicContact CB-CB 3.97Å; M54-A147 HydrophobicContact CG-CB 4.28Å; M54-A147 WeakPolarHBondContact O-CB 3.18Å; M54-A147 PolarHBondContact O-N 2.88Å; M56-A147 HydrophobicContact CB-CB 3.89Å; M56-A147 HydrophobicContact CE-CB 3.97Å; A147-E149 VanDerWaalsContact C-N 3.34Å; A147-E149 PolarHBondContact O-N 3.18Å; A147-G150 WeakPolarHBondContact O-CA 3.42Å; A147-G150 PolarHBondContact O-N 2.93Å; A147-V151 PolarHBondContact O-N 3.4Å; A147-L168 HydrophobicContact CB-CD2 3.63Å |
| 148 | P | 90.8 | Very high | 95.5 | Very high | 42 Ų | 42 | 9.4 Ų | 9.4 | 27% | 0.273 | 5% | 0.051 | S | C | . | . | H | α-helix | trans | -56.6 | -45.2 | 173.9 | -26.5 | 36.6 | 0 | 0 | 0 | 113.1 | G150 V151 I152 | P148-G150 PolarHBondContact O-N 2.86Å; P148-V151 WeakPolarHBondContact O-CB 3.38Å; P148-V151 PolarHBondContact O-N 3.06Å; P148-I152 PolarHBondContact O-N 3.44Å; P148-I152 VanDerWaalsContact O-N 3.15Å |
| 149 | E | 93.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 9.8 Ų | 9.8 | 25% | 0.248 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.2 | -30.4 | 175.7 | -61.2 | 90.8 | 149.9 | 0 | 0 | 111.1 | V125 G146 A147 I152 S153 | V125-E149 HydrophobicContact CG2-CB 3.74Å; V125-E149 HydrophobicContact CG2-CG 4.25Å; G146-E149 WeakPolarHBondContact CA-OE2 3.49Å; A147-E149 VanDerWaalsContact C-N 3.34Å; A147-E149 PolarHBondContact O-N 3.18Å; E149-I152 PolarHBondContact O-N 2.83Å; E149-S153 WeakPolarHBondContact O-CB 2.88Å; E149-S153 PolarHBondContact O-N 3.29Å; E149-S153 PolarHBondContact O-OG 3.43Å |
| 150 | G | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65 | -36.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K58 G146 A147 P148 S153 A154 M164 | K58-G150 VanDerWaalsContact CE-CA 3.44Å; K58-G150 VanDerWaalsContact NZ-N 3.13Å; G146-G150 PolarHBondContact O-N 3.3Å; A147-G150 WeakPolarHBondContact O-CA 3.42Å; A147-G150 PolarHBondContact O-N 2.93Å; P148-G150 PolarHBondContact O-N 2.86Å; G150-S153 WeakPolarHBondContact O-CB 3.31Å; G150-A154 WeakPolarHBondContact O-CB 3.32Å; G150-A154 PolarHBondContact O-N 2.98Å; G150-M164 VanDerWaalsContact O-CE 3.31Å; G150-M164 WeakPolarHBondContact O-CE 2.8Å |
| 151 | V | 95.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 2% | 0.024 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.2 | -40 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | L48 L49 A51 A147 P148 A154 C155 | L48-V151 HydrophobicContact CB-CG1 4.08Å; L48-V151 HydrophobicContact CD2-CG1 4.35Å; L49-V151 HydrophobicContact CB-CG2 4.34Å; A51-V151 HydrophobicContact CB-CG2 3.7Å; A147-V151 PolarHBondContact O-N 3.4Å; P148-V151 WeakPolarHBondContact O-CB 3.38Å; P148-V151 PolarHBondContact O-N 3.06Å; V151-A154 PolarHBondContact O-N 2.81Å; V151-C155 PolarHBondContact O-N 2.97Å; V151-C155 VanDerWaalsContact O-N 3.08Å; V151-C155 PolarHBondContact O-SG 3.19Å |
| 152 | I | 95.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 173.5 | -62.9 | 172.3 | 0 | 0 | 0 | 110.6 | A19 D21 V39 V125 P148 E149 A154 C155 A156 F216 | A19-I152 HydrophobicContact CB-CD1 4.37Å; A19-I152 HydrophobicContact CB-CG1 3.58Å; D21-I152 HydrophobicContact CB-CD1 3.84Å; V39-I152 HydrophobicContact CB-CG2 4.4Å; V39-I152 HydrophobicContact CG2-CD1 4.29Å; V39-I152 HydrophobicContact CG2-CG2 4.02Å; V125-I152 HydrophobicContact CG1-CG2 3.82Å; V125-I152 HydrophobicContact CG2-CG2 4.4Å; P148-I152 PolarHBondContact O-N 3.44Å; P148-I152 VanDerWaalsContact O-N 3.15Å; E149-I152 PolarHBondContact O-N 2.83Å; I152-A154 VanDerWaalsContact C-N 3.33Å; I152-A154 PolarHBondContact O-N 2.9Å; I152-C155 WeakPolarHBondContact O-CB 3.31Å; I152-C155 PolarHBondContact O-N 3.08Å; I152-A156 PolarHBondContact O-N 2.78Å; I152-F216 HydrophobicContact CG2-CD2 4.25Å; I152-F216 HydrophobicContact CG2-CE2 3.67Å |
| 153 | S | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -55.6 | -46.6 | 172.8 | -75.4 | 0 | 0 | 0 | 0 | 111.8 | S128 E149 G150 C155 A156 V157 | S128-S153 WeakPolarHBondContact CB-OG 3.35Å; S128-S153 VanDerWaalsContact OG-CB 3.26Å; S128-S153 WeakPolarHBondContact OG-CB 3.49Å; S128-S153 PolarHBondContact OG-OG 3.48Å; E149-S153 WeakPolarHBondContact O-CB 2.88Å; E149-S153 PolarHBondContact O-N 3.29Å; E149-S153 PolarHBondContact O-OG 3.43Å; G150-S153 WeakPolarHBondContact O-CB 3.31Å; S153-C155 VanDerWaalsContact C-N 3.28Å; S153-C155 PolarHBondContact O-N 2.63Å; S153-A156 PolarHBondContact O-N 3.07Å; S153-A156 VanDerWaalsContact O-N 3.17Å; S153-V157 WeakPolarHBondContact O-CB 3.5Å; S153-V157 WeakPolarHBondContact O-CG2 3.27Å; S153-V157 PolarHBondContact O-N 2.64Å |
| 154 | A | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60 | -38.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G150 V151 I152 V157 K158 M164 L205 L208 V209 | G150-A154 WeakPolarHBondContact O-CB 3.32Å; G150-A154 PolarHBondContact O-N 2.98Å; V151-A154 PolarHBondContact O-N 2.81Å; I152-A154 VanDerWaalsContact C-N 3.33Å; I152-A154 PolarHBondContact O-N 2.9Å; A154-V157 PolarHBondContact O-N 3.31Å; A154-K158 WeakPolarHBondContact O-CB 3.35Å; A154-K158 PolarHBondContact O-N 2.71Å; A154-M164 HydrophobicContact CB-SD 3.85Å; A154-L205 HydrophobicContact CB-CD1 3.84Å; A154-L205 WeakPolarHBondContact O-CD1 3.47Å; A154-L208 HydrophobicContact CB-CB 3.64Å; A154-L208 HydrophobicContact CB-CD1 3.78Å; A154-L208 HydrophobicContact CB-CG 4.35Å; A154-V209 HydrophobicContact CB-CG2 3.73Å |
| 155 | C | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.4 | -51.3 | 174.2 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | A41 L48 V151 I152 S153 K158 A159 V209 I214 | A41-C155 HydrophobicContact CB-CB 3.58Å; L48-C155 WeakPolarHBondContact CD2-SG 3.34Å; V151-C155 PolarHBondContact O-N 2.97Å; V151-C155 VanDerWaalsContact O-N 3.08Å; V151-C155 PolarHBondContact O-SG 3.19Å; I152-C155 WeakPolarHBondContact O-CB 3.31Å; I152-C155 PolarHBondContact O-N 3.08Å; S153-C155 VanDerWaalsContact C-N 3.28Å; S153-C155 PolarHBondContact O-N 2.63Å; C155-K158 PolarHBondContact O-N 3.49Å; C155-A159 VanDerWaalsContact O-CB 3.31Å; C155-A159 WeakPolarHBondContact O-CB 3.32Å; C155-A159 PolarHBondContact O-N 2.83Å; C155-V209 HydrophobicContact CB-CG2 4.47Å; C155-V209 VanDerWaalsContact SG-CG2 3.56Å; C155-I214 HydrophobicContact CB-CG2 3.7Å |
| 156 | A | 93.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.1 | -41.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V129 I152 S153 A159 L160 F216 | V129-A156 HydrophobicContact CG2-CB 3.75Å; I152-A156 PolarHBondContact O-N 2.78Å; S153-A156 PolarHBondContact O-N 3.07Å; S153-A156 VanDerWaalsContact O-N 3.17Å; A156-A159 PolarHBondContact O-N 2.79Å; A156-L160 WeakPolarHBondContact O-CB 3.31Å; A156-L160 VanDerWaalsContact O-CG 3.28Å; A156-L160 WeakPolarHBondContact O-CG 3.33Å; A156-L160 PolarHBondContact O-N 3.39Å; A156-F216 HydrophobicContact CB-CB 4.44Å; A156-F216 HydrophobicContact CB-CD1 4.09Å; A156-F216 HydrophobicContact CB-CD2 3.71Å; A156-F216 HydrophobicContact CB-CE1 4.25Å; A156-F216 HydrophobicContact CB-CE2 3.89Å; A156-F216 HydrophobicContact CB-CG 3.81Å; A156-F216 HydrophobicContact CB-CZ 4.16Å |
| 157 | V | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 178.5 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | V60 S153 A154 A159 L160 G161 G162 M164 L205 | V60-V157 HydrophobicContact CB-CG2 4.48Å; V60-V157 HydrophobicContact CG1-CB 4.45Å; V60-V157 HydrophobicContact CG1-CG1 4.11Å; V60-V157 HydrophobicContact CG1-CG2 3.43Å; V60-V157 VanDerWaalsContact CG1-CG2 3.43Å; V60-V157 HydrophobicContact CG2-CG2 4.18Å; S153-V157 WeakPolarHBondContact O-CB 3.5Å; S153-V157 WeakPolarHBondContact O-CG2 3.27Å; S153-V157 PolarHBondContact O-N 2.64Å; A154-V157 PolarHBondContact O-N 3.31Å; V157-A159 VanDerWaalsContact C-N 3.31Å; V157-A159 PolarHBondContact O-N 2.81Å; V157-L160 CarbonylContact O-C 3.59Å; V157-L160 PolarHBondContact O-N 3.27Å; V157-G161 PolarHBondContact O-N 2.95Å; V157-G162 PolarHBondContact O-N 3.36Å; V157-M164 HydrophobicContact CB-CB 4.46Å; V157-M164 HydrophobicContact CG1-CB 3.98Å; V157-L205 HydrophobicContact CG1-CD2 4.14Å |
| 158 | K | 94.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 14.4 Ų | 14.4 | 9% | 0.087 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 177.1 | -171.2 | 156.9 | 178.8 | 169.6 | 0 | 111.3 | A154 C155 L160 G161 L205 D206 V209 G211 N212 I214 | A154-K158 WeakPolarHBondContact O-CB 3.35Å; A154-K158 PolarHBondContact O-N 2.71Å; C155-K158 PolarHBondContact O-N 3.49Å; K158-L160 VanDerWaalsContact C-N 3.28Å; K158-L160 PolarHBondContact O-N 3.45Å; K158-G161 PolarHBondContact O-N 3.41Å; K158-L205 HydrophobicContact CB-CD1 3.9Å; K158-L205 HydrophobicContact CB-CD2 4.04Å; K158-L205 HydrophobicContact CB-CG 4.11Å; K158-L205 HydrophobicContact CD-CD1 4.45Å; K158-L205 HydrophobicContact CD-CG 4.18Å; K158-L205 HydrophobicContact CG-CD2 4.38Å; K158-L205 HydrophobicContact CG-CG 4.41Å; K158-D206 IonicContact NZ-OD1 3.1Å; K158-D206 PolarHBondContact NZ-OD1 3.19Å; K158-V209 HydrophobicContact CD-CB 4.25Å; K158-V209 HydrophobicContact CD-CG1 4.41Å; K158-V209 PolarHBondContact NZ-O 2.95Å; K158-G211 WeakPolarHBondContact CE-O 3.38Å; K158-G211 PolarHBondContact NZ-O 2.96Å; K158-N212 WeakPolarHBondContact CE-OD1 3.5Å; K158-I214 HydrophobicContact CB-CD1 3.86Å; K158-I214 HydrophobicContact CD-CD1 3.7Å; K158-I214 HydrophobicContact CG-CD1 3.72Å |
| 159 | A | 89.7 | Confident | 95.4 | Very high | 14 Ų | 14 | 12.7 Ų | 12.7 | 12% | 0.116 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.6 | -31.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | C155 A156 V157 G161 V247 N249 | C155-A159 VanDerWaalsContact O-CB 3.31Å; C155-A159 WeakPolarHBondContact O-CB 3.32Å; C155-A159 PolarHBondContact O-N 2.83Å; A156-A159 PolarHBondContact O-N 2.79Å; V157-A159 VanDerWaalsContact C-N 3.31Å; V157-A159 PolarHBondContact O-N 2.81Å; A159-G161 VanDerWaalsContact C-N 3.29Å; A159-G161 PolarHBondContact O-N 3.46Å; A159-V247 HydrophobicContact CB-CB 4.07Å; A159-V247 HydrophobicContact CB-CG1 3.43Å; A159-V247 VanDerWaalsContact CB-CG1 3.43Å; A159-N249 WeakPolarHBondContact CA-OD1 3.47Å; A159-N249 WeakPolarHBondContact CB-OD1 3.35Å |
| 160 | L | 89.2 | Confident | 95.6 | Very high | 40 Ų | 40 | 10.7 Ų | 10.7 | 21% | 0.209 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 4.6 | 175.2 | -64.8 | 170.1 | 0 | 0 | 0 | 113.4 | V129 C132 W133 A156 V157 K158 G162 V247 | V129-L160 HydrophobicContact CG1-CD1 4.04Å; C132-L160 HydrophobicContact CB-CB 3.72Å; C132-L160 HydrophobicContact CB-CD1 3.73Å; C132-L160 HydrophobicContact CB-CG 4.39Å; W133-L160 HydrophobicContact CE3-CD1 3.96Å; W133-L160 HydrophobicContact CE3-CD2 4.12Å; W133-L160 HydrophobicContact CZ3-CD1 4.14Å; W133-L160 HydrophobicContact CZ3-CD2 3.87Å; A156-L160 WeakPolarHBondContact O-CB 3.31Å; A156-L160 VanDerWaalsContact O-CG 3.28Å; A156-L160 WeakPolarHBondContact O-CG 3.33Å; A156-L160 PolarHBondContact O-N 3.39Å; V157-L160 CarbonylContact O-C 3.59Å; V157-L160 PolarHBondContact O-N 3.27Å; K158-L160 VanDerWaalsContact C-N 3.28Å; K158-L160 PolarHBondContact O-N 3.45Å; L160-G162 PolarHBondContact O-N 3.21Å; L160-V247 HydrophobicContact CD2-CG1 3.76Å; L160-V247 HydrophobicContact CD2-CG2 4.23Å; L160-V247 HydrophobicContact CG-CG1 4.05Å |
| 161 | G | 90.8 | Very high | 95.6 | Very high | 42 Ų | 42 | 12.8 Ų | 12.8 | 43% | 0.433 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 21.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R63 V157 K158 A159 | R63-G161 WeakPolarHBondContact CA-O 3.25Å; R63-G161 WeakPolarHBondContact CB-O 3.22Å; V157-G161 PolarHBondContact O-N 2.95Å; K158-G161 PolarHBondContact O-N 3.41Å; A159-G161 VanDerWaalsContact C-N 3.29Å; A159-G161 PolarHBondContact O-N 3.46Å |
| 162 | G | 94.7 | Very high | 95.6 | Very high | 9 Ų | 9 | 13.4 Ų | 13.4 | 9% | 0.093 | 8% | 0.082 | C | C | . | . | trans | -77.6 | -169.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V61 V157 L160 L205 | V61-G162 VanDerWaalsContact O-CA 3.28Å; V61-G162 WeakPolarHBondContact O-CA 3.49Å; V157-G162 PolarHBondContact O-N 3.36Å; L160-G162 PolarHBondContact O-N 3.21Å; G162-L205 WeakPolarHBondContact O-CD2 3.37Å | ||
| 163 | D | 98 | Very high | 95.6 | Very high | 25 Ų | 25 | 17.5 Ų | 17.5 | 13% | 0.134 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.6 | 172.6 | -169.2 | 7.5 | 0 | 0 | 0 | 109.8 | V60 V61 A66 G67 I69 | V60-D163 WeakPolarHBondContact CA-O 3.26Å; V61-D163 HydrophobicContact CG2-CB 3.82Å; V61-D163 PolarHBondContact N-O 3.36Å; V61-D163 PolarHBondContact O-N 3.43Å; A66-D163 HydrophobicContact CB-CB 3.84Å; G67-D163 WeakPolarHBondContact CA-OD2 3.23Å; G67-D163 PolarHBondContact N-OD2 2.96Å; I69-D163 HydrophobicContact CD1-CB 4.34Å |
| 164 | M | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 137.1 | -178.9 | 174.2 | 168.5 | 176.5 | 0 | 0 | 110.4 | K58 L59 V60 G150 A154 V157 A166 L205 L208 | K58-M164 HydrophobicContact CB-CE 4.17Å; K58-M164 HydrophobicContact CD-CE 4.3Å; K58-M164 HydrophobicContact CG-CE 4.05Å; L59-M164 CarbonylContact O-C 3.49Å; L59-M164 VanDerWaalsContact O-CA 3.25Å; L59-M164 WeakPolarHBondContact O-CA 3.26Å; V60-M164 HydrophobicContact CG2-CB 3.93Å; V60-M164 HydrophobicContact CG2-CG 3.69Å; V60-M164 HydrophobicContact CG2-SD 3.74Å; G150-M164 VanDerWaalsContact O-CE 3.31Å; G150-M164 WeakPolarHBondContact O-CE 2.8Å; A154-M164 HydrophobicContact CB-SD 3.85Å; V157-M164 HydrophobicContact CB-CB 4.46Å; V157-M164 HydrophobicContact CG1-CB 3.98Å; M164-A166 HydrophobicContact CE-CB 4.2Å; M164-L205 HydrophobicContact CB-CD1 4.13Å; M164-L205 WeakPolarHBondContact O-CA 3.39Å; M164-L205 WeakPolarHBondContact O-CB 3.37Å; M164-L205 PolarHBondContact O-N 2.99Å; M164-L208 HydrophobicContact CE-CD1 3.94Å; M164-L208 HydrophobicContact CG-CD1 4.1Å; M164-L208 HydrophobicContact SD-CD1 4.19Å |
| 165 | Q | 98.7 | Very high | 95.3 | Very high | 30 Ų | 30 | 21.8 Ų | 21.8 | 14% | 0.14 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.6 | 164.8 | -69.4 | -177.8 | 6.4 | 0 | 0 | 110.1 | L59 I69 D70 L71 V202 Y203 | L59-Q165 PolarHBondContact N-O 3.07Å; L59-Q165 PolarHBondContact O-N 3.27Å; I69-Q165 HydrophobicContact CD1-CB 4.4Å; I69-Q165 HydrophobicContact CD1-CG 4.15Å; I69-Q165 HydrophobicContact CG1-CG 4.43Å; I69-Q165 PolarHBondContact O-NE2 3.03Å; D70-Q165 VanDerWaalsContact CA-OE1 3.26Å; L71-Q165 HydrophobicContact CB-CB 4.03Å; L71-Q165 HydrophobicContact CD2-CB 4.45Å; Q165-V202 HydrophobicContact CB-CG1 4.06Å; Q165-V202 HydrophobicContact CG-CG1 4.39Å; Q165-Y203 WeakPolarHBondContact CA-O 3.38Å |
| 166 | A | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | M56 K57 M164 V202 Y203 L208 | M56-A166 HydrophobicContact CE-CB 4.18Å; M56-A166 HydrophobicContact CG-CB 3.72Å; M56-A166 HydrophobicContact SD-CB 3.48Å; M56-A166 WeakPolarHBondContact SD-CB 3.46Å; K57-A166 CarbonylContact O-C 3.48Å; K57-A166 WeakPolarHBondContact O-CA 3.5Å; M164-A166 HydrophobicContact CE-CB 4.2Å; A166-V202 CarbonylContact O-C 3.58Å; A166-V202 WeakPolarHBondContact O-CA 3.36Å; A166-Y203 PolarHBondContact N-O 3.23Å; A166-Y203 PolarHBondContact O-N 2.96Å; A166-L208 HydrophobicContact CB-CD1 3.77Å; A166-L208 HydrophobicContact CB-CD2 4.16Å |
| 167 | E | 98.2 | Very high | 95.2 | Very high | 23 Ų | 23 | 27.6 Ų | 27.6 | 11% | 0.107 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 121 | 175.7 | -176.9 | -167.3 | 165.9 | 0 | 0 | 109.3 | M56 K57 L71 I169 N200 R201 | M56-E167 CarbonylContact C-O 3.55Å; M56-E167 WeakPolarHBondContact CA-O 3.42Å; K57-E167 HydrophobicContact CB-CB 4.28Å; K57-E167 PolarHBondContact N-O 3.4Å; K57-E167 IonicContact NZ-OE2 2.78Å; K57-E167 PolarHBondContact NZ-OE2 2.91Å; K57-E167 PolarHBondContact O-N 2.99Å; L71-E167 HydrophobicContact CD2-CB 3.85Å; E167-I169 HydrophobicContact CG-CG2 4.19Å; E167-I169 PolarHBondContact O-N 2.9Å; E167-N200 WeakPolarHBondContact OE1-CA 3.39Å; E167-R201 WeakPolarHBondContact CA-O 3.38Å |
| 168 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 125.5 | 171.2 | -67.9 | 175.5 | 0 | 0 | 0 | 109.1 | M54 M56 A147 V197 V199 N200 Y203 | M54-L168 HydrophobicContact CE-CB 4.11Å; M54-L168 HydrophobicContact CG-CD2 4.11Å; M54-L168 HydrophobicContact SD-CB 4.21Å; M54-L168 HydrophobicContact SD-CD1 4.46Å; M54-L168 HydrophobicContact SD-CD2 4.13Å; M56-L168 HydrophobicContact CB-CD2 4.4Å; M56-L168 HydrophobicContact CE-CD2 3.67Å; M56-L168 HydrophobicContact CE-CG 4.4Å; A147-L168 HydrophobicContact CB-CD2 3.63Å; L168-V197 HydrophobicContact CD1-CB 3.96Å; L168-V197 HydrophobicContact CD1-CG2 3.76Å; L168-V199 WeakPolarHBondContact O-CG1 3.29Å; L168-N200 PolarHBondContact O-N 2.68Å; L168-Y203 HydrophobicContact CD1-CE2 4.14Å; L168-Y203 HydrophobicContact CG-CE2 4.11Å |
| 169 | I | 97.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142 | 178.8 | 64.9 | 171.8 | 0 | 0 | 0 | 110.1 | M54 Y55 I144 E167 Q173 A174 | M54-I169 WeakPolarHBondContact CE-O 3.43Å; Y55-I169 PolarHBondContact O-N 2.9Å; I144-I169 HydrophobicContact CD1-CD1 3.84Å; I144-I169 HydrophobicContact CG1-CD1 4.18Å; I144-I169 HydrophobicContact CG2-CD1 3.67Å; I144-I169 HydrophobicContact CG2-CG1 4.49Å; E167-I169 HydrophobicContact CG-CG2 4.19Å; E167-I169 PolarHBondContact O-N 2.9Å; I169-Q173 HydrophobicContact CB-CB 4.02Å; I169-Q173 HydrophobicContact CD1-CB 4.34Å; I169-A174 HydrophobicContact CD1-CB 4.09Å; I169-A174 HydrophobicContact CG1-CB 4.45Å |
| 170 | D | 97 | Very high | 94.9 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.064 | 24% | 0.244 | C | C | . | . | trans | -73.5 | 168.9 | -178.9 | 76.7 | 22 | 0 | 0 | 0 | 112.9 | C172 Q173 A174 A185 E188 R189 V199 | D170-C172 PolarHBondContact O-N 2.79Å; D170-C172 WeakPolarHBondContact OD1-CA 3.42Å; D170-C172 WeakPolarHBondContact OD1-CB 3.35Å; D170-C172 PolarHBondContact OD1-N 2.93Å; D170-Q173 WeakPolarHBondContact O-CB 3.35Å; D170-Q173 PolarHBondContact O-N 3.35Å; D170-Q173 VanDerWaalsContact O-N 3.08Å; D170-Q173 WeakPolarHBondContact OD1-CG 3.43Å; D170-Q173 PolarHBondContact OD1-N 2.88Å; D170-Q173 PolarHBondContact OD1-OE1 3.43Å; D170-A174 PolarHBondContact O-N 3.32Å; D170-A185 HydrophobicContact CB-CB 3.87Å; D170-E188 WeakPolarHBondContact CA-OE2 3.35Å; D170-R189 IonicContact OD2-CZ 2.62Å; D170-R189 IonicContact OD2-NE 3.65Å; D170-R189 PolarHBondContact OD2-NE 3.35Å; D170-R189 IonicContact OD2-NH2 2.71Å; D170-R189 PolarHBondContact OD2-NH2 3.47Å; D170-V199 HydrophobicContact CB-CG1 4.4Å | ||
| 171 | F | 95.7 | Very high | 95.2 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 19% | 0.193 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -33.6 | -177.2 | -158 | -98.5 | 0 | 0 | 0 | 112.7 | Y55 A174 K175 N181 I184 A185 E188 | Y55-F171 HydrophobicContact CD2-CD2 4.29Å; Y55-F171 HydrophobicContact CE2-CD2 4.05Å; Y55-F171 AromaticContact CE2-CE2 3.98Å; Y55-F171 HydrophobicContact CE2-CE2 3.98Å; F171-A174 PolarHBondContact O-N 2.83Å; F171-K175 HydrophobicContact CD1-CB 4.12Å; F171-K175 HydrophobicContact CD1-CG 4.19Å; F171-K175 HydrophobicContact CD2-CG 4.35Å; F171-K175 HydrophobicContact CE1-CB 3.92Å; F171-K175 HydrophobicContact CE1-CG 3.84Å; F171-K175 HydrophobicContact CE2-CG 4.01Å; F171-K175 HydrophobicContact CG-CG 4.43Å; F171-K175 HydrophobicContact CZ-CB 4.34Å; F171-K175 HydrophobicContact CZ-CG 3.75Å; F171-K175 WeakPolarHBondContact O-CB 3.43Å; F171-K175 PolarHBondContact O-N 2.8Å; F171-N181 HydrophobicContact CD1-CB 3.75Å; F171-N181 HydrophobicContact CE1-CB 4.28Å; F171-N181 VanDerWaalsContact CE1-OD1 3.3Å; F171-N181 WeakPolarHBondContact CE1-OD1 3.32Å; F171-I184 HydrophobicContact CB-CB 4.13Å; F171-I184 HydrophobicContact CB-CG2 3.8Å; F171-I184 HydrophobicContact CD1-CB 4.15Å; F171-I184 HydrophobicContact CD1-CD1 3.95Å; F171-I184 HydrophobicContact CD1-CG2 4.2Å; F171-I184 HydrophobicContact CD2-CG2 3.88Å; F171-I184 HydrophobicContact CE1-CD1 3.75Å; F171-I184 HydrophobicContact CE2-CG2 4.49Å; F171-I184 HydrophobicContact CG-CB 4.09Å; F171-I184 HydrophobicContact CG-CD1 4.47Å; F171-I184 HydrophobicContact CG-CG2 3.7Å; F171-I184 HydrophobicContact CZ-CD1 4.1Å; F171-A185 HydrophobicContact CB-CB 4.4Å; F171-E188 WeakPolarHBondContact CB-OE2 2.99Å; F171-E188 PolarHBondContact N-OE2 2.86Å |
| 172 | C | 96.6 | Very high | 95.4 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 175.3 | -79.3 | 0 | 0 | 0 | 0 | 111.2 | D170 A174 G176 D177 N181 R182 A185 | D170-C172 PolarHBondContact O-N 2.79Å; D170-C172 WeakPolarHBondContact OD1-CA 3.42Å; D170-C172 WeakPolarHBondContact OD1-CB 3.35Å; D170-C172 PolarHBondContact OD1-N 2.93Å; C172-A174 VanDerWaalsContact C-N 3.33Å; C172-A174 PolarHBondContact O-N 2.81Å; C172-G176 CarbonylContact O-C 3.54Å; C172-G176 WeakPolarHBondContact O-CA 3.49Å; C172-G176 PolarHBondContact O-N 3.11Å; C172-D177 HydrophobicContact CB-CB 4.44Å; C172-D177 PolarHBondContact SG-OD1 3.49Å; C172-N181 VanDerWaalsContact SG-C 3.51Å; C172-R182 VanDerWaalsContact SG-CA 3.54Å; C172-R182 PolarHBondContact SG-N 3.29Å; C172-R182 VanDerWaalsContact SG-N 3.4Å; C172-A185 HydrophobicContact CB-CB 4.31Å |
| 173 | Q | 95.2 | Very high | 95.4 | Very high | 87 Ų | 87 | 55.4 Ų | 55.4 | 41% | 0.407 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 176.3 | -65.8 | 169.7 | -85.8 | 0 | 0 | 111.6 | I169 D170 N200 | I169-Q173 HydrophobicContact CB-CB 4.02Å; I169-Q173 HydrophobicContact CD1-CB 4.34Å; D170-Q173 WeakPolarHBondContact O-CB 3.35Å; D170-Q173 PolarHBondContact O-N 3.35Å; D170-Q173 VanDerWaalsContact O-N 3.08Å; D170-Q173 WeakPolarHBondContact OD1-CG 3.43Å; D170-Q173 PolarHBondContact OD1-N 2.88Å; D170-Q173 PolarHBondContact OD1-OE1 3.43Å; Q173-N200 PolarHBondContact NE2-OD1 2.87Å; Q173-N200 PolarHBondContact OE1-OD1 2.97Å; Q173-N200 VanDerWaalsContact OE1-OD1 3.09Å |
| 174 | A | 94.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -83.3 | -29.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y55 R102 I144 I169 D170 F171 C172 | Y55-A174 HydrophobicContact CD1-CB 4.3Å; Y55-A174 HydrophobicContact CD2-CB 3.27Å; Y55-A174 HydrophobicContact CE2-CB 3.97Å; Y55-A174 HydrophobicContact CG-CB 3.48Å; Y55-A174 VanDerWaalsContact CG-CB 3.48Å; R102-A174 VanDerWaalsContact CB-O 3.29Å; R102-A174 WeakPolarHBondContact CB-O 3.47Å; R102-A174 VanDerWaalsContact CD-O 3.32Å; R102-A174 WeakPolarHBondContact CD-O 3.27Å; I144-A174 HydrophobicContact CG2-CB 4.41Å; I169-A174 HydrophobicContact CD1-CB 4.09Å; I169-A174 HydrophobicContact CG1-CB 4.45Å; D170-A174 PolarHBondContact O-N 3.32Å; F171-A174 PolarHBondContact O-N 2.83Å; C172-A174 VanDerWaalsContact C-N 3.33Å; C172-A174 PolarHBondContact O-N 2.81Å |
| 175 | K | 93.4 | Very high | 95 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -125.9 | 1.4 | -170.8 | -61.1 | -70 | -179 | 160.8 | 0 | 114.7 | Y55 F171 Y178 N181 | Y55-K175 HydrophobicContact CE2-CD 4.47Å; Y55-K175 VanDerWaalsContact CE2-CE 3.44Å; Y55-K175 HydrophobicContact CE2-CG 4.17Å; Y55-K175 WeakPolarHBondContact OH-CE 3.46Å; Y55-K175 PolarHBondContact OH-NZ 3.42Å; F171-K175 HydrophobicContact CD1-CB 4.12Å; F171-K175 HydrophobicContact CD1-CG 4.19Å; F171-K175 HydrophobicContact CD2-CG 4.35Å; F171-K175 HydrophobicContact CE1-CB 3.92Å; F171-K175 HydrophobicContact CE1-CG 3.84Å; F171-K175 HydrophobicContact CE2-CG 4.01Å; F171-K175 HydrophobicContact CG-CG 4.43Å; F171-K175 HydrophobicContact CZ-CB 4.34Å; F171-K175 HydrophobicContact CZ-CG 3.75Å; F171-K175 WeakPolarHBondContact O-CB 3.43Å; F171-K175 PolarHBondContact O-N 2.8Å; K175-Y178 WeakPolarHBondContact O-CE2 3.32Å; K175-N181 PolarHBondContact O-ND2 3.38Å |
| 176 | G | 92.8 | Very high | 94.8 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | 94.6 | 150.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C172 Y178 N181 | C172-G176 CarbonylContact O-C 3.54Å; C172-G176 WeakPolarHBondContact O-CA 3.49Å; C172-G176 PolarHBondContact O-N 3.11Å; G176-Y178 PolarHBondContact O-N 3.05Å; G176-N181 WeakPolarHBondContact O-CB 3.49Å; G176-N181 PolarHBondContact O-ND2 3.14Å | ||
| 177 | D | 93.4 | Very high | 94.6 | Very high | 96 Ų | 96 | 66.1 Ų | 66.1 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -84.4 | 74 | -175.3 | -174.4 | 30.4 | 0 | 0 | 0 | 112.5 | C172 R182 | C172-D177 HydrophobicContact CB-CB 4.44Å; C172-D177 PolarHBondContact SG-OD1 3.49Å; D177-R182 WeakPolarHBondContact OD1-CG 2.96Å; D177-R182 IonicContact OD1-CZ 3.9Å; D177-R182 IonicContact OD1-NE 2.71Å; D177-R182 PolarHBondContact OD1-NE 3.49Å; D177-R182 IonicContact OD1-NH2 3.85Å; D177-R182 IonicContact OD2-CZ 3.94Å; D177-R182 IonicContact OD2-NE 3.79Å; D177-R182 PolarHBondContact OD2-NE 2.95Å; D177-R182 IonicContact OD2-NH2 2.63Å; D177-R182 PolarHBondContact OD2-NH2 3.25Å |
| 178 | Y | 92.6 | Very high | 94.4 | Very high | 160 Ų | 160 | 65.3 Ų | 65.3 | 63% | 0.627 | 32% | 0.315 | S | S | * | . | trans | -102.7 | 158.5 | 174.3 | -55.2 | -74.9 | 0 | 0 | 0 | 111.4 | K175 G176 E180 N181 R182 | K175-Y178 WeakPolarHBondContact O-CE2 3.32Å; G176-Y178 PolarHBondContact O-N 3.05Å; Y178-E180 VanDerWaalsContact C-N 3.3Å; Y178-E180 PolarHBondContact O-N 3.46Å; Y178-N181 PolarHBondContact O-N 3.25Å; Y178-N181 VanDerWaalsContact O-N 3.08Å; Y178-R182 WeakPolarHBondContact O-CG 3.15Å; Y178-R182 PolarHBondContact O-N 3.46Å | ||
| 179 | T | 89.5 | Confident | 94.3 | Very high | 108 Ų | 108 | 69.5 Ų | 69.5 | 66% | 0.663 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -54.6 | -41.7 | -176.5 | -52.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 180 | E | 90.8 | Very high | 94.2 | Very high | 156 Ų | 156 | 75.4 Ų | 75.4 | 73% | 0.729 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.1 | -42.1 | 178.3 | -64.6 | 173.8 | -179 | 0 | 0 | 111.4 | Y178 R182 Q183 | Y178-E180 VanDerWaalsContact C-N 3.3Å; Y178-E180 PolarHBondContact O-N 3.46Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 2.83Å; E180-Q183 PolarHBondContact O-N 3Å |
| 181 | N | 94.6 | Very high | 94 | Very high | 21 Ų | 21 | 79.5 Ų | 79.5 | 11% | 0.112 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65 | -34.9 | -180 | -68.9 | 4.9 | 0 | 0 | 0 | 112.4 | F171 C172 K175 G176 Y178 Q183 I184 A185 | F171-N181 HydrophobicContact CD1-CB 3.75Å; F171-N181 HydrophobicContact CE1-CB 4.28Å; F171-N181 VanDerWaalsContact CE1-OD1 3.3Å; F171-N181 WeakPolarHBondContact CE1-OD1 3.32Å; C172-N181 VanDerWaalsContact SG-C 3.51Å; K175-N181 PolarHBondContact O-ND2 3.38Å; G176-N181 WeakPolarHBondContact O-CB 3.49Å; G176-N181 PolarHBondContact O-ND2 3.14Å; Y178-N181 PolarHBondContact O-N 3.25Å; Y178-N181 VanDerWaalsContact O-N 3.08Å; N181-Q183 PolarHBondContact O-N 2.95Å; N181-I184 PolarHBondContact O-N 3.49Å; N181-I184 VanDerWaalsContact O-N 3.14Å; N181-A185 WeakPolarHBondContact O-CB 3.45Å; N181-A185 PolarHBondContact O-N 2.97Å |
| 182 | R | 95.8 | Very high | 93.9 | Very high | 133 Ų | 133 | 77.5 Ų | 77.5 | 50% | 0.502 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59 | -34 | 177.2 | -72.2 | 176.9 | -176.2 | 171 | 2.7 | 112.7 | C172 D177 Y178 E180 E186 | C172-R182 VanDerWaalsContact SG-CA 3.54Å; C172-R182 PolarHBondContact SG-N 3.29Å; C172-R182 VanDerWaalsContact SG-N 3.4Å; D177-R182 WeakPolarHBondContact OD1-CG 2.96Å; D177-R182 IonicContact OD1-CZ 3.9Å; D177-R182 IonicContact OD1-NE 2.71Å; D177-R182 PolarHBondContact OD1-NE 3.49Å; D177-R182 IonicContact OD1-NH2 3.85Å; D177-R182 IonicContact OD2-CZ 3.94Å; D177-R182 IonicContact OD2-NE 3.79Å; D177-R182 PolarHBondContact OD2-NE 2.95Å; D177-R182 IonicContact OD2-NH2 2.63Å; D177-R182 PolarHBondContact OD2-NH2 3.25Å; Y178-R182 WeakPolarHBondContact O-CG 3.15Å; Y178-R182 PolarHBondContact O-N 3.46Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 2.83Å; R182-E186 WeakPolarHBondContact O-CB 3.35Å; R182-E186 PolarHBondContact O-N 3.25Å |
| 183 | Q | 94 | Very high | 93.8 | Very high | 130 Ų | 130 | 85.3 Ų | 85.3 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.8 | -41.5 | 177.6 | -63.1 | -177.7 | -2.9 | 0 | 0 | 111.4 | E180 N181 Q187 | E180-Q183 PolarHBondContact O-N 3Å; N181-Q183 PolarHBondContact O-N 2.95Å; Q183-Q187 WeakPolarHBondContact O-CG 3.14Å; Q183-Q187 PolarHBondContact O-N 2.68Å |
| 184 | I | 93.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 85.5 Ų | 85.5 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 176.3 | -57.8 | 172.6 | 0 | 0 | 0 | 110.1 | F171 N181 E186 Q187 E188 | F171-I184 HydrophobicContact CB-CB 4.13Å; F171-I184 HydrophobicContact CB-CG2 3.8Å; F171-I184 HydrophobicContact CD1-CB 4.15Å; F171-I184 HydrophobicContact CD1-CD1 3.95Å; F171-I184 HydrophobicContact CD1-CG2 4.2Å; F171-I184 HydrophobicContact CD2-CG2 3.88Å; F171-I184 HydrophobicContact CE1-CD1 3.75Å; F171-I184 HydrophobicContact CE2-CG2 4.49Å; F171-I184 HydrophobicContact CG-CB 4.09Å; F171-I184 HydrophobicContact CG-CD1 4.47Å; F171-I184 HydrophobicContact CG-CG2 3.7Å; F171-I184 HydrophobicContact CZ-CD1 4.1Å; N181-I184 PolarHBondContact O-N 3.49Å; N181-I184 VanDerWaalsContact O-N 3.14Å; I184-E186 VanDerWaalsContact C-N 3.34Å; I184-E186 PolarHBondContact O-N 2.92Å; I184-Q187 WeakPolarHBondContact O-CB 3.44Å; I184-Q187 PolarHBondContact O-N 3.48Å; I184-Q187 VanDerWaalsContact O-N 3.09Å; I184-E188 PolarHBondContact O-N 2.97Å |
| 185 | A | 95.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 88.7 Ų | 88.7 | 3% | 0.033 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D170 F171 C172 N181 Q187 E188 R189 | D170-A185 HydrophobicContact CB-CB 3.87Å; F171-A185 HydrophobicContact CB-CB 4.4Å; C172-A185 HydrophobicContact CB-CB 4.31Å; N181-A185 WeakPolarHBondContact O-CB 3.45Å; N181-A185 PolarHBondContact O-N 2.97Å; A185-Q187 VanDerWaalsContact C-N 3.34Å; A185-Q187 PolarHBondContact O-N 3.07Å; A185-E188 PolarHBondContact O-N 3.5Å; A185-R189 WeakPolarHBondContact O-CB 3.14Å; A185-R189 VanDerWaalsContact O-CG 3.31Å; A185-R189 WeakPolarHBondContact O-CG 3.43Å; A185-R189 PolarHBondContact O-N 3.33Å |
| 186 | E | 95.3 | Very high | 93.4 | Very high | 97 Ų | 97 | 87.9 Ų | 87.9 | 45% | 0.453 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 175.3 | -179.9 | 60.5 | -162 | 0 | 0 | 112.1 | R182 I184 K190 | R182-E186 WeakPolarHBondContact O-CB 3.35Å; R182-E186 PolarHBondContact O-N 3.25Å; I184-E186 VanDerWaalsContact C-N 3.34Å; I184-E186 PolarHBondContact O-N 2.92Å; E186-K190 WeakPolarHBondContact O-CG 3.5Å; E186-K190 PolarHBondContact O-N 3.41Å; E186-K190 VanDerWaalsContact O-N 3.13Å; E186-K190 WeakPolarHBondContact OE1-CE 3.44Å; E186-K190 IonicContact OE1-NZ 2.66Å |
| 187 | Q | 94 | Very high | 93.4 | Very high | 119 Ų | 119 | 87 Ų | 87 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.3 | -41.9 | 175.1 | -69.6 | 173.7 | 9.6 | 0 | 0 | 111.9 | Q183 I184 A185 K190 R191 | Q183-Q187 WeakPolarHBondContact O-CG 3.14Å; Q183-Q187 PolarHBondContact O-N 2.68Å; I184-Q187 WeakPolarHBondContact O-CB 3.44Å; I184-Q187 PolarHBondContact O-N 3.48Å; I184-Q187 VanDerWaalsContact O-N 3.09Å; A185-Q187 VanDerWaalsContact C-N 3.34Å; A185-Q187 PolarHBondContact O-N 3.07Å; Q187-K190 PolarHBondContact O-N 3.02Å; Q187-R191 WeakPolarHBondContact O-CG 3.35Å; Q187-R191 PolarHBondContact O-N 3.36Å |
| 188 | E | 94.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 87.2 Ų | 87.2 | 2% | 0.023 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.3 | -51.7 | 172 | -76.1 | 171.2 | 168.9 | 0 | 0 | 111.4 | M54 D170 F171 I184 A185 K190 R191 C192 | M54-E188 HydrophobicContact CB-CG 3.99Å; D170-E188 WeakPolarHBondContact CA-OE2 3.35Å; F171-E188 WeakPolarHBondContact CB-OE2 2.99Å; F171-E188 PolarHBondContact N-OE2 2.86Å; I184-E188 PolarHBondContact O-N 2.97Å; A185-E188 PolarHBondContact O-N 3.5Å; E188-K190 VanDerWaalsContact C-N 3.26Å; E188-K190 PolarHBondContact O-N 3.09Å; E188-R191 WeakPolarHBondContact O-CA 3.31Å; E188-R191 WeakPolarHBondContact O-CB 3.3Å; E188-R191 PolarHBondContact O-N 2.94Å; E188-C192 PolarHBondContact O-N 3.39Å; E188-C192 PolarHBondContact O-SG 3.2Å |
| 189 | R | 95.2 | Very high | 93.7 | Very high | 88 Ų | 88 | 80.7 Ų | 80.7 | 33% | 0.332 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.9 | -37.3 | 179 | -72.9 | 176.7 | -179.9 | -73.1 | -4.1 | 112.6 | D170 A185 K193 V199 | D170-R189 IonicContact OD2-CZ 2.62Å; D170-R189 IonicContact OD2-NE 3.65Å; D170-R189 PolarHBondContact OD2-NE 3.35Å; D170-R189 IonicContact OD2-NH2 2.71Å; D170-R189 PolarHBondContact OD2-NH2 3.47Å; A185-R189 WeakPolarHBondContact O-CB 3.14Å; A185-R189 VanDerWaalsContact O-CG 3.31Å; A185-R189 WeakPolarHBondContact O-CG 3.43Å; A185-R189 PolarHBondContact O-N 3.33Å; R189-K193 PolarHBondContact O-N 2.89Å; R189-V199 HydrophobicContact CG-CG2 4.23Å |
| 190 | K | 94.8 | Very high | 94.1 | Very high | 129 Ų | 129 | 79.2 Ų | 79.2 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.6 | -43.7 | 172.8 | -74.5 | 175.1 | -175.7 | 165.9 | 0 | 112.7 | E186 Q187 E188 K193 A194 | E186-K190 WeakPolarHBondContact O-CG 3.5Å; E186-K190 PolarHBondContact O-N 3.41Å; E186-K190 VanDerWaalsContact O-N 3.13Å; E186-K190 WeakPolarHBondContact OE1-CE 3.44Å; E186-K190 IonicContact OE1-NZ 2.66Å; Q187-K190 PolarHBondContact O-N 3.02Å; E188-K190 VanDerWaalsContact C-N 3.26Å; E188-K190 PolarHBondContact O-N 3.09Å; K190-K193 PolarHBondContact O-N 3.05Å; K190-A194 PolarHBondContact O-N 3.16Å; K190-A194 VanDerWaalsContact O-N 3.09Å |
| 191 | R | 92.8 | Very high | 94.3 | Very high | 98 Ų | 98 | 76.1 Ų | 76.1 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 176.4 | -73 | -175.6 | -68.6 | 162.7 | 4.1 | 111.1 | D53 Q187 E188 K193 A194 M195 | D53-R191 PolarHBondContact O-NH1 2.93Å; D53-R191 PolarHBondContact O-NH2 3.28Å; Q187-R191 WeakPolarHBondContact O-CG 3.35Å; Q187-R191 PolarHBondContact O-N 3.36Å; E188-R191 WeakPolarHBondContact O-CA 3.31Å; E188-R191 WeakPolarHBondContact O-CB 3.3Å; E188-R191 PolarHBondContact O-N 2.94Å; R191-K193 PolarHBondContact O-N 3.28Å; R191-A194 PolarHBondContact O-N 3.24Å; R191-A194 VanDerWaalsContact O-N 3.11Å; R191-M195 WeakPolarHBondContact O-CG 3.33Å; R191-M195 PolarHBondContact O-N 3.4Å |
| 192 | C | 94.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.014 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -54.8 | -50.1 | 176.1 | -64.6 | 0 | 0 | 0 | 0 | 112 | M54 E188 A194 M195 G196 V197 V199 | M54-C192 PolarHBondContact SD-SG 3.41Å; E188-C192 PolarHBondContact O-N 3.39Å; E188-C192 PolarHBondContact O-SG 3.2Å; C192-A194 VanDerWaalsContact C-N 3.29Å; C192-A194 PolarHBondContact O-N 2.94Å; C192-M195 CarbonylContact O-C 3.58Å; C192-M195 PolarHBondContact O-N 3.19Å; C192-M195 VanDerWaalsContact O-N 3.1Å; C192-G196 PolarHBondContact O-N 2.97Å; C192-V197 CarbonylContact C-O 3.59Å; C192-V197 HydrophobicContact CB-CG2 3.81Å; C192-V197 VanDerWaalsContact CB-O 3.29Å; C192-V197 WeakPolarHBondContact CB-O 3.22Å; C192-V197 PolarHBondContact O-N 3.27Å; C192-V197 VanDerWaalsContact O-O 3.09Å; C192-V199 HydrophobicContact CB-CG2 3.91Å; C192-V199 VanDerWaalsContact SG-CG2 3.53Å |
| 193 | K | 93.4 | Very high | 94.6 | Very high | 181 Ų | 181 | 71.2 Ų | 71.2 | 79% | 0.787 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.2 | -37.2 | 177.8 | -173 | 176.5 | -178.1 | 177.7 | 0 | 112.9 | R189 K190 R191 | R189-K193 PolarHBondContact O-N 2.89Å; K190-K193 PolarHBondContact O-N 3.05Å; R191-K193 PolarHBondContact O-N 3.28Å |
| 194 | A | 92.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 67.1 Ų | 67.1 | 75% | 0.752 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.8 | -32.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K190 R191 C192 | K190-A194 PolarHBondContact O-N 3.16Å; K190-A194 VanDerWaalsContact O-N 3.09Å; R191-A194 PolarHBondContact O-N 3.24Å; R191-A194 VanDerWaalsContact O-N 3.11Å; C192-A194 VanDerWaalsContact C-N 3.29Å; C192-A194 PolarHBondContact O-N 2.94Å |
| 195 | M | 90.2 | Very high | 95 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -86.9 | -4.5 | 178.7 | -66.3 | 174.6 | 69.7 | 0 | 0 | 113.5 | H50 P52 R191 C192 V197 | H50-M195 HydrophobicContact CB-CE 3.93Å; H50-M195 WeakPolarHBondContact O-CE 3.3Å; P52-M195 HydrophobicContact CB-CE 4.41Å; P52-M195 HydrophobicContact CB-SD 3.75Å; P52-M195 HydrophobicContact CG-SD 4.41Å; R191-M195 WeakPolarHBondContact O-CG 3.33Å; R191-M195 PolarHBondContact O-N 3.4Å; C192-M195 CarbonylContact O-C 3.58Å; C192-M195 PolarHBondContact O-N 3.19Å; C192-M195 VanDerWaalsContact O-N 3.1Å; M195-V197 HydrophobicContact CB-CG2 4.36Å |
| 196 | G | 92.5 | Very high | 95.1 | Very high | 69 Ų | 69 | 69.5 Ų | 69.5 | 71% | 0.711 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 26 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C192 | C192-G196 PolarHBondContact O-N 2.97Š|
| 197 | V | 94 | Very high | 95.2 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | trans | -115.6 | 146.6 | 175.3 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | L49 P52 L168 C192 M195 | L49-V197 HydrophobicContact CD1-CG1 3.73Å; L49-V197 HydrophobicContact CG-CG1 4.44Å; P52-V197 HydrophobicContact CG-CG2 4.11Å; L168-V197 HydrophobicContact CD1-CB 3.96Å; L168-V197 HydrophobicContact CD1-CG2 3.76Å; C192-V197 CarbonylContact C-O 3.59Å; C192-V197 HydrophobicContact CB-CG2 3.81Å; C192-V197 VanDerWaalsContact CB-O 3.29Å; C192-V197 WeakPolarHBondContact CB-O 3.22Å; C192-V197 PolarHBondContact O-N 3.27Å; C192-V197 VanDerWaalsContact O-O 3.09Å; M195-V197 HydrophobicContact CB-CG2 4.36Å | ||
| 198 | D | 95.7 | Very high | 95.3 | Very high | 99 Ų | 99 | 62.2 Ų | 62.2 | 53% | 0.529 | 33% | 0.328 | S | S | . | . | trans | -102.1 | 135.6 | -179.4 | -64.9 | -47.6 | 0 | 0 | 0 | 112.3 | R201 Y203 | D198-R201 HydrophobicContact CB-CB 3.75Å; D198-R201 HydrophobicContact CB-CG 4.44Å; D198-Y203 WeakPolarHBondContact CA-OH 3.46Å; D198-Y203 PolarHBondContact N-OH 3.39Å; D198-Y203 PolarHBondContact O-OH 3.34Å | ||
| 199 | V | 96.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 62 Ų | 62 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 142.2 | 169 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | M54 L168 D170 R189 C192 R201 | M54-V199 HydrophobicContact CE-CG1 4.42Å; M54-V199 HydrophobicContact CE-CG2 4.06Å; L168-V199 WeakPolarHBondContact O-CG1 3.29Å; D170-V199 HydrophobicContact CB-CG1 4.4Å; R189-V199 HydrophobicContact CG-CG2 4.23Å; C192-V199 HydrophobicContact CB-CG2 3.91Å; C192-V199 VanDerWaalsContact SG-CG2 3.53Å; V199-R201 VanDerWaalsContact C-N 3.29Å |
| 200 | N | 96.3 | Very high | 95.4 | Very high | 76 Ų | 76 | 65.2 Ų | 65.2 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 27.2 | -175.5 | -51.6 | -34.5 | 0 | 0 | 0 | 114.5 | E167 L168 Q173 | E167-N200 WeakPolarHBondContact OE1-CA 3.39Å; L168-N200 PolarHBondContact O-N 2.68Å; Q173-N200 PolarHBondContact NE2-OD1 2.87Å; Q173-N200 PolarHBondContact OE1-OD1 2.97Å; Q173-N200 VanDerWaalsContact OE1-OD1 3.09Å |
| 201 | R | 96.7 | Very high | 95.1 | Very high | 91 Ų | 91 | 61.1 Ų | 61.1 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | trans | -111 | 134 | 172.2 | 179.9 | -178.3 | -176.3 | -95.6 | -2.2 | 108.9 | E167 D198 V199 Y203 E207 | E167-R201 WeakPolarHBondContact CA-O 3.38Å; D198-R201 HydrophobicContact CB-CB 3.75Å; D198-R201 HydrophobicContact CB-CG 4.44Å; V199-R201 VanDerWaalsContact C-N 3.29Å; R201-Y203 HydrophobicContact CB-CE2 4.13Å; R201-Y203 HydrophobicContact CG-CE2 4.43Å; R201-Y203 VanDerWaalsContact O-CD2 3.22Å; R201-Y203 WeakPolarHBondContact O-CD2 3.45Å; R201-Y203 VanDerWaalsContact O-CE2 3.27Å; R201-Y203 WeakPolarHBondContact O-CE2 3.43Å; R201-E207 IonicContact CZ-OE1 3.87Å; R201-E207 IonicContact NH1-OE1 3.58Å; R201-E207 PolarHBondContact NH1-OE1 3.25Å; R201-E207 IonicContact NH1-OE2 2.62Å; R201-E207 IonicContact NH2-OE1 2.75Å; R201-E207 PolarHBondContact NH2-OE1 3.34Å; R201-E207 IonicContact NH2-OE2 3.5Å | ||
| 202 | V | 98 | Very high | 94.9 | Very high | 45 Ų | 45 | 61.3 Ų | 61.3 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 124 | 170.7 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | L71 Q165 A166 | L71-V202 HydrophobicContact CB-CG1 3.94Å; L71-V202 HydrophobicContact CB-CG2 4.09Å; Q165-V202 HydrophobicContact CB-CG1 4.06Å; Q165-V202 HydrophobicContact CG-CG1 4.39Å; A166-V202 CarbonylContact O-C 3.58Å; A166-V202 WeakPolarHBondContact O-CA 3.36Å |
| 203 | Y | 98.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 3% | 0.027 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.6 | 172.1 | -61.6 | -96 | 0 | 0 | 0 | 108.6 | L49 Q165 A166 L168 D198 R201 E207 | L49-Y203 HydrophobicContact CD1-CE1 4.3Å; L49-Y203 HydrophobicContact CD2-CD1 4.26Å; L49-Y203 HydrophobicContact CD2-CE1 4.37Å; Q165-Y203 WeakPolarHBondContact CA-O 3.38Å; A166-Y203 PolarHBondContact N-O 3.23Å; A166-Y203 PolarHBondContact O-N 2.96Å; L168-Y203 HydrophobicContact CD1-CE2 4.14Å; L168-Y203 HydrophobicContact CG-CE2 4.11Å; D198-Y203 WeakPolarHBondContact CA-OH 3.46Å; D198-Y203 PolarHBondContact N-OH 3.39Å; D198-Y203 PolarHBondContact O-OH 3.34Å; R201-Y203 HydrophobicContact CB-CE2 4.13Å; R201-Y203 HydrophobicContact CG-CE2 4.43Å; R201-Y203 VanDerWaalsContact O-CD2 3.22Å; R201-Y203 WeakPolarHBondContact O-CD2 3.45Å; R201-Y203 VanDerWaalsContact O-CE2 3.27Å; R201-Y203 WeakPolarHBondContact O-CE2 3.43Å; Y203-E207 WeakPolarHBondContact CA-OE2 3.46Å; Y203-E207 HydrophobicContact CD1-CB 4.34Å |
| 204 | S | 98 | Very high | 94.3 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 30% | 0.301 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 166 | 169.4 | 75.9 | 0 | 0 | 0 | 0 | 111.6 | D206 E207 L208 | S204-D206 VanDerWaalsContact C-N 3.25Å; S204-D206 PolarHBondContact O-N 2.99Å; S204-E207 PolarHBondContact N-OE2 3.03Å; S204-E207 WeakPolarHBondContact O-CB 3.5Å; S204-E207 PolarHBondContact O-N 3.36Å; S204-E207 WeakPolarHBondContact OG-CG 3.41Å; S204-E207 PolarHBondContact OG-N 3.18Å; S204-L208 WeakPolarHBondContact O-CG 3.41Å; S204-L208 PolarHBondContact O-N 2.91Å; S204-L208 VanDerWaalsContact O-N 3.07Å |
| 205 | L | 97.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -53.7 | -41.9 | 174.6 | -179.1 | 50.9 | 0 | 0 | 0 | 112.7 | A154 V157 K158 G162 M164 E207 L208 V209 | A154-L205 HydrophobicContact CB-CD1 3.84Å; A154-L205 WeakPolarHBondContact O-CD1 3.47Å; V157-L205 HydrophobicContact CG1-CD2 4.14Å; K158-L205 HydrophobicContact CB-CD1 3.9Å; K158-L205 HydrophobicContact CB-CD2 4.04Å; K158-L205 HydrophobicContact CB-CG 4.11Å; K158-L205 HydrophobicContact CD-CD1 4.45Å; K158-L205 HydrophobicContact CD-CG 4.18Å; K158-L205 HydrophobicContact CG-CD2 4.38Å; K158-L205 HydrophobicContact CG-CG 4.41Å; G162-L205 WeakPolarHBondContact O-CD2 3.37Å; M164-L205 HydrophobicContact CB-CD1 4.13Å; M164-L205 WeakPolarHBondContact O-CA 3.39Å; M164-L205 WeakPolarHBondContact O-CB 3.37Å; M164-L205 PolarHBondContact O-N 2.99Å; L205-E207 VanDerWaalsContact C-N 3.25Å; L205-E207 PolarHBondContact O-N 3.46Å; L205-L208 PolarHBondContact O-N 3.28Å; L205-V209 PolarHBondContact O-N 3.18Å |
| 206 | D | 97 | Very high | 94 | Very high | 103 Ų | 103 | 52.7 Ų | 52.7 | 55% | 0.551 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -70.2 | -19.8 | 178.7 | -71.6 | -40.7 | 0 | 0 | 0 | 113.9 | K158 S204 V209 R210 | K158-D206 IonicContact NZ-OD1 3.1Å; K158-D206 PolarHBondContact NZ-OD1 3.19Å; S204-D206 VanDerWaalsContact C-N 3.25Å; S204-D206 PolarHBondContact O-N 2.99Å; D206-V209 CarbonylContact O-C 3.51Å; D206-R210 WeakPolarHBondContact O-CG 3.39Å |
| 207 | E | 96.8 | Very high | 93.8 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -85.8 | -29.3 | 173 | -65.6 | -178.5 | 101.3 | 0 | 0 | 112.5 | R201 Y203 S204 L205 | R201-E207 IonicContact CZ-OE1 3.87Å; R201-E207 IonicContact NH1-OE1 3.58Å; R201-E207 PolarHBondContact NH1-OE1 3.25Å; R201-E207 IonicContact NH1-OE2 2.62Å; R201-E207 IonicContact NH2-OE1 2.75Å; R201-E207 PolarHBondContact NH2-OE1 3.34Å; R201-E207 IonicContact NH2-OE2 3.5Å; Y203-E207 WeakPolarHBondContact CA-OE2 3.46Å; Y203-E207 HydrophobicContact CD1-CB 4.34Å; S204-E207 PolarHBondContact N-OE2 3.03Å; S204-E207 WeakPolarHBondContact O-CB 3.5Å; S204-E207 PolarHBondContact O-N 3.36Å; S204-E207 WeakPolarHBondContact OG-CG 3.41Å; S204-E207 PolarHBondContact OG-N 3.18Å; L205-E207 VanDerWaalsContact C-N 3.25Å; L205-E207 PolarHBondContact O-N 3.46Å |
| 208 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.9 | -40.4 | 173.5 | -64.8 | 172.3 | 0 | 0 | 0 | 111.4 | L49 M56 A154 M164 A166 S204 L205 | L49-L208 HydrophobicContact CB-CD2 4.48Å; L49-L208 HydrophobicContact CD2-CD2 3.65Å; L49-L208 PolarHBondContact N-O 2.86Å; M56-L208 HydrophobicContact CE-CD2 4.14Å; A154-L208 HydrophobicContact CB-CB 3.64Å; A154-L208 HydrophobicContact CB-CD1 3.78Å; A154-L208 HydrophobicContact CB-CG 4.35Å; M164-L208 HydrophobicContact CE-CD1 3.94Å; M164-L208 HydrophobicContact CG-CD1 4.1Å; M164-L208 HydrophobicContact SD-CD1 4.19Å; A166-L208 HydrophobicContact CB-CD1 3.77Å; A166-L208 HydrophobicContact CB-CD2 4.16Å; S204-L208 WeakPolarHBondContact O-CG 3.41Å; S204-L208 PolarHBondContact O-N 2.91Å; S204-L208 VanDerWaalsContact O-N 3.07Å; L205-L208 PolarHBondContact O-N 3.28Å |
| 209 | V | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -139 | 108.4 | 179.1 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | S47 L48 A154 C155 K158 L205 D206 I214 | S47-V209 CarbonylContact O-C 3.51Å; S47-V209 WeakPolarHBondContact O-CA 3.33Å; L48-V209 HydrophobicContact CD2-CB 4.32Å; L48-V209 HydrophobicContact CD2-CG1 3.82Å; L48-V209 HydrophobicContact CD2-CG2 3.91Å; A154-V209 HydrophobicContact CB-CG2 3.73Å; C155-V209 HydrophobicContact CB-CG2 4.47Å; C155-V209 VanDerWaalsContact SG-CG2 3.56Å; K158-V209 HydrophobicContact CD-CB 4.25Å; K158-V209 HydrophobicContact CD-CG1 4.41Å; K158-V209 PolarHBondContact NZ-O 2.95Å; L205-V209 PolarHBondContact O-N 3.18Å; D206-V209 CarbonylContact O-C 3.51Å; V209-I214 HydrophobicContact CB-CD1 4.4Å; V209-I214 HydrophobicContact CG1-CD1 3.41Å; V209-I214 VanDerWaalsContact CG1-CD1 3.41Å; V209-I214 HydrophobicContact CG1-CG1 3.86Å |
| 210 | R | 94.4 | Very high | 92.4 | Very high | 155 Ų | 155 | 45.2 Ų | 45.2 | 59% | 0.585 | 24% | 0.238 | S | C | * | . | trans | -83.9 | 139.6 | 178.7 | -57.8 | 175.2 | -179.5 | 174.5 | 1.2 | 110.4 | S47 D206 | S47-R210 WeakPolarHBondContact CB-O 3.48Å; S47-R210 PolarHBondContact O-N 3.23Å; S47-R210 PolarHBondContact OG-O 3.05Å; S47-R210 VanDerWaalsContact OG-O 3.08Å; D206-R210 WeakPolarHBondContact O-CG 3.39Å | ||
| 211 | G | 89.6 | Confident | 91.9 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 75.6 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K158 | K158-G211 WeakPolarHBondContact CE-O 3.38Å; K158-G211 PolarHBondContact NZ-O 2.96Å |
| 212 | N | 87.5 | Confident | 91.4 | Very high | 101 Ų | 101 | 40.2 Ų | 40.2 | 54% | 0.54 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -118.2 | -1.2 | -174.5 | -65.8 | -26.4 | 0 | 0 | 0 | 113 | K158 I214 N249 | K158-N212 WeakPolarHBondContact CE-OD1 3.5Å; N212-I214 PolarHBondContact O-N 3.41Å; N212-N249 WeakPolarHBondContact O-CB 3.44Å; N212-N249 PolarHBondContact O-ND2 2.73Å |
| 213 | D | 87.1 | Confident | 90.5 | Very high | 128 Ų | 128 | 39.7 Ų | 39.7 | 68% | 0.684 | 23% | 0.225 | S | C | * | . | trans | -82.1 | 86.4 | 177.5 | -56.1 | -37.9 | 0 | 0 | 0 | 108.4 | P44 | P44-D213 WeakPolarHBondContact CD-O 3.4Å; P44-D213 HydrophobicContact CG-CB 3.95Å | ||
| 214 | I | 88.5 | Confident | 89.5 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | trans | -126.7 | 132 | -172.1 | -57.3 | 168.3 | 0 | 0 | 0 | 108.9 | F42 C155 K158 V209 N212 | F42-I214 WeakPolarHBondContact O-CA 3.45Å; C155-I214 HydrophobicContact CB-CG2 3.7Å; K158-I214 HydrophobicContact CB-CD1 3.86Å; K158-I214 HydrophobicContact CD-CD1 3.7Å; K158-I214 HydrophobicContact CG-CD1 3.72Å; V209-I214 HydrophobicContact CB-CD1 4.4Å; V209-I214 HydrophobicContact CG1-CD1 3.41Å; V209-I214 VanDerWaalsContact CG1-CD1 3.41Å; V209-I214 HydrophobicContact CG1-CG1 3.86Å; N212-I214 PolarHBondContact O-N 3.41Å | ||
| 215 | L | 87.3 | Confident | 88.5 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.9 | 168.9 | -177.6 | 71.2 | 0 | 0 | 0 | 108.8 | A41 F42 F246 L281 | A41-L215 CarbonylContact C-O 3.58Å; A41-L215 VanDerWaalsContact CA-O 3.22Å; A41-L215 WeakPolarHBondContact CA-O 3.34Å; F42-L215 HydrophobicContact CB-CB 4.22Å; F42-L215 HydrophobicContact CD2-CB 4.18Å; F42-L215 HydrophobicContact CD2-CD2 3.87Å; F42-L215 HydrophobicContact CD2-CG 4.24Å; F42-L215 HydrophobicContact CE2-CD2 4.17Å; F42-L215 PolarHBondContact N-O 3.07Å; F42-L215 PolarHBondContact O-N 3.31Å; L215-F246 HydrophobicContact CD1-CD1 4.49Å; L215-L281 HydrophobicContact CD1-CD2 4.49Å; L215-L281 HydrophobicContact CD2-CD2 3.76Å |
| 216 | F | 90 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 137 | 172 | 174.4 | -91.1 | 0 | 0 | 0 | 110.1 | V39 A41 V125 V129 I152 A156 A218 L245 F246 V247 | V39-F216 HydrophobicContact CB-CE2 4.4Å; V39-F216 HydrophobicContact CB-CZ 4.42Å; V39-F216 HydrophobicContact CG1-CZ 4.22Å; A41-F216 HydrophobicContact CB-CD2 4.29Å; V125-F216 HydrophobicContact CG1-CE2 4.25Å; V125-F216 HydrophobicContact CG1-CZ 4.27Å; V129-F216 HydrophobicContact CG2-CE1 4.17Å; V129-F216 HydrophobicContact CG2-CZ 4.01Å; I152-F216 HydrophobicContact CG2-CD2 4.25Å; I152-F216 HydrophobicContact CG2-CE2 3.67Å; A156-F216 HydrophobicContact CB-CB 4.44Å; A156-F216 HydrophobicContact CB-CD1 4.09Å; A156-F216 HydrophobicContact CB-CD2 3.71Å; A156-F216 HydrophobicContact CB-CE1 4.25Å; A156-F216 HydrophobicContact CB-CE2 3.89Å; A156-F216 HydrophobicContact CB-CG 3.81Å; A156-F216 HydrophobicContact CB-CZ 4.16Å; F216-A218 HydrophobicContact CE1-CB 3.74Å; F216-A218 HydrophobicContact CZ-CB 3.96Å; F216-L245 HydrophobicContact CD1-CD2 4.4Å; F216-L245 HydrophobicContact CD1-CG 4.47Å; F216-L245 HydrophobicContact CE1-CD2 3.77Å; F216-L245 HydrophobicContact CE1-CG 4.21Å; F216-F246 CarbonylContact O-C 3.52Å; F216-F246 WeakPolarHBondContact O-CA 3.5Å; F216-V247 HydrophobicContact CB-CB 4.31Å; F216-V247 HydrophobicContact CD1-CG2 4.09Å; F216-V247 PolarHBondContact N-O 2.9Å; F216-V247 PolarHBondContact O-N 3.17Å |
| 217 | S | 87.6 | Confident | 86.5 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 133.5 | 179.8 | -167.4 | 0 | 0 | 0 | 0 | 111.4 | V39 M40 P243 L245 F246 | V39-S217 WeakPolarHBondContact CA-O 3.47Å; M40-S217 PolarHBondContact N-O 3.38Å; M40-S217 PolarHBondContact O-N 3.19Å; S217-P243 WeakPolarHBondContact OG-CB 3.46Å; S217-P243 WeakPolarHBondContact OG-CG 3.41Å; S217-L245 WeakPolarHBondContact CA-O 3.32Å; S217-F246 VanDerWaalsContact OG-CE1 3.28Å; S217-F246 WeakPolarHBondContact OG-CE1 3.34Å |
| 218 | A | 86.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 133.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A38 V39 F216 P243 S244 L245 | A38-A218 CarbonylContact O-C 3.56Å; A38-A218 WeakPolarHBondContact O-CA 3.37Å; V39-A218 HydrophobicContact CG1-CB 3.72Å; F216-A218 HydrophobicContact CE1-CB 3.74Å; F216-A218 HydrophobicContact CZ-CB 3.96Å; A218-P243 CarbonylContact O-C 3.5Å; A218-P243 WeakPolarHBondContact O-CA 3.5Å; A218-P243 WeakPolarHBondContact O-CB 3.25Å; A218-S244 PolarHBondContact O-N 2.89Å; A218-L245 HydrophobicContact CB-CB 4.19Å; A218-L245 HydrophobicContact CB-CD2 4.23Å; A218-L245 HydrophobicContact CB-CG 4.46Å; A218-L245 PolarHBondContact N-O 2.92Å; A218-L245 PolarHBondContact O-N 3.3Å; A218-L245 VanDerWaalsContact O-N 3.07Å |
| 219 | T | 84.2 | Confident | 84.5 | Confident | 33 Ų | 33 | 43 Ų | 43 | 20% | 0.202 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.9 | 175.6 | -50.5 | 0 | 0 | 0 | 0 | 109.8 | L37 A38 V221 P243 | L37-T219 CarbonylContact C-O 3.56Å; L37-T219 VanDerWaalsContact CA-O 3.31Å; L37-T219 WeakPolarHBondContact CA-O 3.33Å; A38-T219 PolarHBondContact N-O 3.4Å; A38-T219 PolarHBondContact O-N 3.27Å; T219-V221 PolarHBondContact O-N 3.4Å; T219-P243 WeakPolarHBondContact OG1-CA 3.33Å; T219-P243 WeakPolarHBondContact OG1-CB 3.26Å |
| 220 | G | 84.3 | Confident | 83.7 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 120.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N228 I230 | G220-N228 WeakPolarHBondContact CA-O 3.38Å; G220-I230 PolarHBondContact O-N 3.06Å |
| 221 | V | 87.2 | Confident | 82.5 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -82.5 | -50.1 | 169.9 | 179.6 | 0 | 0 | 0 | 0 | 109 | V29 A36 A38 T219 I230 | V29-V221 HydrophobicContact CG1-CG1 4.15Å; V29-V221 HydrophobicContact CG2-CB 4.29Å; V29-V221 HydrophobicContact CG2-CG1 3.74Å; A36-V221 HydrophobicContact CB-CB 4.18Å; A36-V221 PolarHBondContact O-N 2.86Å; A38-V221 HydrophobicContact CB-CG2 4.32Å; T219-V221 PolarHBondContact O-N 3.4Å; V221-I230 PolarHBondContact O-N 3.44Å; V221-I230 VanDerWaalsContact O-N 3.13Å |
| 222 | T | 85 | Confident | 81.3 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 17% | 0.172 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -115.2 | 152.7 | 170.4 | 63 | 0 | 0 | 0 | 0 | 110.2 | Q33 N35 A36 G224 G229 | Q33-T222 VanDerWaalsContact O-CB 3.23Å; Q33-T222 WeakPolarHBondContact O-CB 3.4Å; Q33-T222 WeakPolarHBondContact O-CG2 3.28Å; Q33-T222 PolarHBondContact O-OG1 3.05Å; N35-T222 PolarHBondContact N-OG1 2.94Å; A36-T222 HydrophobicContact CB-CG2 4.32Å; A36-T222 WeakPolarHBondContact CB-OG1 3.44Å; A36-T222 PolarHBondContact N-OG1 2.99Å; A36-T222 PolarHBondContact O-N 2.93Å; T222-G224 PolarHBondContact O-N 3.3Å; T222-G229 VanDerWaalsContact C-CA 3.41Å |
| 223 | G | 79.8 | Confident | 79.8 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | trans | -60.3 | 134 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S34 N35 G229 | S34-G223 WeakPolarHBondContact CA-O 3.33Å; S34-G223 WeakPolarHBondContact CB-O 3.32Å; S34-G223 PolarHBondContact OG-O 2.93Å; N35-G223 PolarHBondContact N-O 3.36Å; G223-G229 VanDerWaalsContact CA-N 3.31Å | ||
| 224 | G | 77.8 | Confident | 78.3 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 27% | 0.268 | 28% | 0.28 | S | S | . | . | trans | -144.8 | 179.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N35 T222 L226 V227 | N35-G224 WeakPolarHBondContact OD1-CA 3.46Å; T222-G224 PolarHBondContact O-N 3.3Å; G224-L226 VanDerWaalsContact C-N 3.27Å; G224-L226 PolarHBondContact O-N 2.97Å; G224-V227 PolarHBondContact N-O 3.28Å | ||
| 225 | E | 77.2 | Confident | 76.6 | Confident | 117 Ų | 117 | 54.8 Ų | 54.8 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -66 | -31.9 | 178.2 | -66.3 | -176 | 162 | 0 | 0 | 112 | N35 L130 Y138 | N35-E225 PolarHBondContact OD1-N 2.78Å; L130-E225 HydrophobicContact CD1-CB 4.13Å; L130-E225 HydrophobicContact CD2-CB 4.31Å; Y138-E225 PolarHBondContact OH-OE2 2.88Å |
| 226 | L | 76 | Confident | 74.6 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -85.7 | -42.4 | -176.4 | -168.1 | 66.4 | 0 | 0 | 0 | 112.5 | L37 V129 L130 W133 G224 L245 | L37-L226 HydrophobicContact CD1-CD2 4.02Å; V129-L226 HydrophobicContact CB-CD2 4.26Å; V129-L226 HydrophobicContact CG1-CD1 3.78Å; V129-L226 HydrophobicContact CG1-CD2 3.98Å; L130-L226 HydrophobicContact CD2-CB 4.32Å; L130-L226 HydrophobicContact CD2-CD1 3.95Å; L130-L226 HydrophobicContact CG-CD1 4.35Å; W133-L226 HydrophobicContact CE3-CD1 4.48Å; G224-L226 VanDerWaalsContact C-N 3.27Å; G224-L226 PolarHBondContact O-N 2.97Å; L226-L245 HydrophobicContact CD1-CD2 4Å; L226-L245 HydrophobicContact CD2-CD2 3.54Å; L226-L245 HydrophobicContact CG-CD2 3.88Å |
| 227 | V | 76 | Confident | 72.6 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -149.8 | 150.8 | -170.6 | -65.8 | 0 | 0 | 0 | 0 | 111 | L37 G224 L245 | L37-V227 HydrophobicContact CD2-CG2 3.24Å; G224-V227 PolarHBondContact N-O 3.28Å; V227-L245 HydrophobicContact CG1-CB 3.99Å |
| 228 | N | 75.3 | Confident | 70.9 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -70 | 147.1 | 172.1 | -70.6 | -53 | 0 | 0 | 0 | 110.7 | G220 | G220-N228 WeakPolarHBondContact CA-O 3.38Š|
| 229 | G | 77.3 | Confident | 69.3 | Low | 15 Ų | 15 | 69 Ų | 69 | 16% | 0.155 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 171.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | T222 G223 Q231 | T222-G229 VanDerWaalsContact C-CA 3.41Å; G223-G229 VanDerWaalsContact CA-N 3.31Å; G229-Q231 PolarHBondContact O-N 3.25Å |
| 230 | I | 78.1 | Confident | 67.7 | Low | 80 Ų | 80 | 72.8 Ų | 72.8 | 41% | 0.41 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 126.8 | 177.6 | -60.3 | 167.8 | 0 | 0 | 0 | 109.8 | G220 V221 I238 F241 | G220-I230 PolarHBondContact O-N 3.06Å; V221-I230 PolarHBondContact O-N 3.44Å; V221-I230 VanDerWaalsContact O-N 3.13Å; I230-I238 HydrophobicContact CG2-CG2 3.73Å; I230-F241 HydrophobicContact CD1-CE1 4.03Å |
| 231 | Q | 69.7 | Low | 66.2 | Low | 121 Ų | 121 | 78.6 Ų | 78.6 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | trans | -116.1 | 130.8 | 175 | -63.6 | -176.1 | 8.1 | 0 | 0 | 110.8 | G229 R239 | G229-Q231 PolarHBondContact O-N 3.25Å; Q231-R239 PolarHBondContact O-N 3.18Å | ||
| 232 | Q | 64.5 | Low | 64.5 | Low | 159 Ų | 159 | 78.4 Ų | 78.4 | 74% | 0.743 | 44% | 0.442 | S | S | * | . | B | Isolated β-bridge | trans | -84.1 | 134.3 | 168 | -78.1 | -174.7 | -4.6 | 0 | 0 | 110.2 | I238 | Q232-I238 HydrophobicContact CG-CG1 4.46Å |
| 233 | T | 56.7 | Low | 63.1 | Low | 54 Ų | 54 | 78.6 Ų | 78.6 | 33% | 0.331 | 44% | 0.444 | S | S | . | . | trans | -89.6 | 159.6 | 172.7 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | N235 G236 G237 R239 | T233-N235 PolarHBondContact O-N 3.23Å; T233-G236 PolarHBondContact O-N 3.41Å; T233-G237 PolarHBondContact N-O 2.93Å; T233-G237 PolarHBondContact OG1-O 3.03Å; T233-R239 HydrophobicContact CG2-CG 3.81Å | ||
| 234 | A | 54.4 | Low | 62.3 | Low | 109 Ų | 109 | 78.8 Ų | 78.8 | 90% | 0.901 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G236 | A234-G236 VanDerWaalsContact C-N 3.35Š|
| 235 | N | 52.9 | Low | 61.6 | Low | 158 Ų | 158 | 77.6 Ų | 77.6 | 85% | 0.845 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 10.8 | 179 | -64.1 | -7.9 | 0 | 0 | 0 | 113.4 | T233 G237 | T233-N235 PolarHBondContact O-N 3.23Å; N235-G237 PolarHBondContact O-N 3.47Å |
| 236 | G | 46.7 | Very low | 61.3 | Low | 61 Ų | 61 | 72.9 Ų | 72.9 | 63% | 0.629 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 74 | -0.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T233 A234 | T233-G236 PolarHBondContact O-N 3.41Å; A234-G236 VanDerWaalsContact C-N 3.35Å |
| 237 | G | 46.9 | Very low | 60.9 | Low | 35 Ų | 35 | 71.7 Ų | 71.7 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 124.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T233 N235 R239 | T233-G237 PolarHBondContact N-O 2.93Å; T233-G237 PolarHBondContact OG1-O 3.03Å; N235-G237 PolarHBondContact O-N 3.47Å; G237-R239 PolarHBondContact O-N 3.15Å |
| 238 | I | 52.9 | Low | 60.6 | Low | 77 Ų | 77 | 72.7 Ų | 72.7 | 40% | 0.395 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 123 | 161 | -58.5 | 172.4 | 0 | 0 | 0 | 106 | I230 Q232 Q240 F241 | I230-I238 HydrophobicContact CG2-CG2 3.73Å; Q232-I238 HydrophobicContact CG-CG1 4.46Å; I238-Q240 PolarHBondContact O-N 3.02Å; I238-F241 HydrophobicContact CB-CE2 4.03Å; I238-F241 HydrophobicContact CB-CZ 4.25Å; I238-F241 HydrophobicContact CD1-CE2 4.25Å; I238-F241 HydrophobicContact CD1-CZ 3.93Å; I238-F241 HydrophobicContact CG2-CD2 4.32Å; I238-F241 HydrophobicContact CG2-CE1 4.2Å; I238-F241 HydrophobicContact CG2-CE2 3.53Å; I238-F241 HydrophobicContact CG2-CZ 3.47Å; I238-F241 VanDerWaalsContact CG2-CZ 3.47Å |
| 239 | R | 52.9 | Low | 60.4 | Low | 165 Ų | 165 | 69.6 Ų | 69.6 | 62% | 0.623 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 132.7 | 173.6 | -96.7 | -177.3 | 177.9 | -160.2 | -1.4 | 108.8 | Q231 T233 G237 F241 | Q231-R239 PolarHBondContact O-N 3.18Å; T233-R239 HydrophobicContact CG2-CG 3.81Å; G237-R239 PolarHBondContact O-N 3.15Å; R239-F241 PolarHBondContact O-N 3.44Å |
| 240 | Q | 50.1 | Low | 60.2 | Low | 112 Ų | 112 | 72.4 Ų | 72.4 | 52% | 0.523 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 127.1 | -164.9 | -146.3 | 164.7 | -4.2 | 0 | 0 | 111.9 | I238 L242 | I238-Q240 PolarHBondContact O-N 3.02Å; Q240-L242 PolarHBondContact O-N 2.89Å |
| 241 | F | 52.5 | Low | 60 | Low | 125 Ų | 125 | 76.7 Ų | 76.7 | 55% | 0.548 | 42% | 0.417 | S | S | . | . | trans | -66.7 | 105.9 | -173.7 | -64.8 | -98.2 | 0 | 0 | 0 | 111 | I230 I238 R239 | I230-F241 HydrophobicContact CD1-CE1 4.03Å; I238-F241 HydrophobicContact CB-CE2 4.03Å; I238-F241 HydrophobicContact CB-CZ 4.25Å; I238-F241 HydrophobicContact CD1-CE2 4.25Å; I238-F241 HydrophobicContact CD1-CZ 3.93Å; I238-F241 HydrophobicContact CG2-CD2 4.32Å; I238-F241 HydrophobicContact CG2-CE1 4.2Å; I238-F241 HydrophobicContact CG2-CE2 3.53Å; I238-F241 HydrophobicContact CG2-CZ 3.47Å; I238-F241 VanDerWaalsContact CG2-CZ 3.47Å; R239-F241 PolarHBondContact O-N 3.44Å | ||
| 242 | L | 52.8 | Low | 60.1 | Low | 31 Ų | 31 | 74.6 Ų | 74.6 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | trans | -121.5 | 142.3 | 163.4 | -82.7 | -178.1 | 0 | 0 | 0 | 110.5 | Q240 S244 L268 V273 L277 | Q240-L242 PolarHBondContact O-N 2.89Å; L242-S244 PolarHBondContact O-N 2.9Å; L242-S244 VanDerWaalsContact O-N 3.11Å; L242-S244 PolarHBondContact O-OG 3.48Å; L242-L268 HydrophobicContact CD1-CB 4.32Å; L242-L268 HydrophobicContact CD1-CD1 4.38Å; L242-L268 HydrophobicContact CD1-CD2 3.78Å; L242-L268 HydrophobicContact CD1-CG 3.47Å; L242-L268 VanDerWaalsContact CD1-CG 3.47Å; L242-L268 HydrophobicContact CD2-CD1 3.41Å; L242-L268 VanDerWaalsContact CD2-CD1 3.41Å; L242-L268 HydrophobicContact CD2-CD2 3.77Å; L242-L268 HydrophobicContact CD2-CG 3.43Å; L242-L268 VanDerWaalsContact CD2-CG 3.43Å; L242-L268 HydrophobicContact CG-CB 4.49Å; L242-L268 HydrophobicContact CG-CD1 3.83Å; L242-L268 HydrophobicContact CG-CD2 4.11Å; L242-L268 HydrophobicContact CG-CG 3.46Å; L242-L268 VanDerWaalsContact CG-CG 3.46Å; L242-V273 HydrophobicContact CD1-CG1 3.48Å; L242-V273 VanDerWaalsContact CD1-CG1 3.48Å; L242-L277 HydrophobicContact CD1-CD1 3.69Å; L242-L277 HydrophobicContact CD2-CD1 3.46Å; L242-L277 VanDerWaalsContact CD2-CD1 3.46Å; L242-L277 HydrophobicContact CG-CD1 4.19Å | ||
| 243 | P | 55.5 | Low | 60.5 | Low | 32 Ų | 32 | 67.8 Ų | 67.8 | 21% | 0.208 | 38% | 0.375 | C | S | . | . | trans | -56.7 | 123.5 | 160.3 | -13.9 | 29.2 | 0 | 0 | 0 | 108.2 | S217 A218 T219 F246 | S217-P243 WeakPolarHBondContact OG-CB 3.46Å; S217-P243 WeakPolarHBondContact OG-CG 3.41Å; A218-P243 CarbonylContact O-C 3.5Å; A218-P243 WeakPolarHBondContact O-CA 3.5Å; A218-P243 WeakPolarHBondContact O-CB 3.25Å; T219-P243 WeakPolarHBondContact OG1-CA 3.33Å; T219-P243 WeakPolarHBondContact OG1-CB 3.26Å; P243-F246 HydrophobicContact CB-CD2 4.08Å; P243-F246 HydrophobicContact CB-CE1 4.23Å; P243-F246 HydrophobicContact CB-CE2 3.38Å; P243-F246 HydrophobicContact CB-CZ 3.5Å; P243-F246 HydrophobicContact CG-CE1 4.11Å; P243-F246 HydrophobicContact CG-CE2 3.65Å; P243-F246 HydrophobicContact CG-CZ 3.3Å; P243-F246 VanDerWaalsContact O-CE2 3.25Å; P243-F246 WeakPolarHBondContact O-CE2 3.26Å | ||
| 244 | S | 62.6 | Low | 61.1 | Low | 38 Ų | 38 | 66.8 Ų | 66.8 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -84.6 | -11.3 | -175.8 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | A218 L242 | A218-S244 PolarHBondContact O-N 2.89Å; L242-S244 PolarHBondContact O-N 2.9Å; L242-S244 VanDerWaalsContact O-N 3.11Å; L242-S244 PolarHBondContact O-OG 3.48Å |
| 245 | L | 63.5 | Low | 61.9 | Low | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 122.7 | 174 | 166.6 | 66.3 | 0 | 0 | 0 | 109.5 | V129 W133 F216 S217 A218 L226 V227 V247 L262 | V129-L245 HydrophobicContact CG1-CD2 3.73Å; W133-L245 HydrophobicContact CH2-CD1 3.26Å; W133-L245 HydrophobicContact CZ2-CD1 4.34Å; W133-L245 HydrophobicContact CZ3-CD1 3.57Å; W133-L245 HydrophobicContact CZ3-CD2 4.44Å; F216-L245 HydrophobicContact CD1-CD2 4.4Å; F216-L245 HydrophobicContact CD1-CG 4.47Å; F216-L245 HydrophobicContact CE1-CD2 3.77Å; F216-L245 HydrophobicContact CE1-CG 4.21Å; S217-L245 WeakPolarHBondContact CA-O 3.32Å; A218-L245 HydrophobicContact CB-CB 4.19Å; A218-L245 HydrophobicContact CB-CD2 4.23Å; A218-L245 HydrophobicContact CB-CG 4.46Å; A218-L245 PolarHBondContact N-O 2.92Å; A218-L245 PolarHBondContact O-N 3.3Å; A218-L245 VanDerWaalsContact O-N 3.07Å; L226-L245 HydrophobicContact CD1-CD2 4Å; L226-L245 HydrophobicContact CD2-CD2 3.54Å; L226-L245 HydrophobicContact CG-CD2 3.88Å; V227-L245 HydrophobicContact CG1-CB 3.99Å; L245-V247 HydrophobicContact CD1-CG2 3.66Å; L245-V247 HydrophobicContact CG-CG2 4.2Å; L245-L262 HydrophobicContact CB-CD2 4.13Å; L245-L262 HydrophobicContact CD1-CD1 4.3Å; L245-L262 HydrophobicContact CD1-CD2 3.43Å; L245-L262 VanDerWaalsContact CD1-CD2 3.43Å; L245-L262 HydrophobicContact CD1-CG 4.42Å; L245-L262 HydrophobicContact CG-CD2 4.39Å |
| 246 | F | 69.5 | Low | 62.8 | Low | 18 Ų | 18 | 64.4 Ų | 64.4 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.5 | 165.6 | -74.9 | -90.5 | 0 | 0 | 0 | 107.9 | L215 F216 S217 P243 V258 L277 L281 | L215-F246 HydrophobicContact CD1-CD1 4.49Å; F216-F246 CarbonylContact O-C 3.52Å; F216-F246 WeakPolarHBondContact O-CA 3.5Å; S217-F246 VanDerWaalsContact OG-CE1 3.28Å; S217-F246 WeakPolarHBondContact OG-CE1 3.34Å; P243-F246 HydrophobicContact CB-CD2 4.08Å; P243-F246 HydrophobicContact CB-CE1 4.23Å; P243-F246 HydrophobicContact CB-CE2 3.38Å; P243-F246 HydrophobicContact CB-CZ 3.5Å; P243-F246 HydrophobicContact CG-CE1 4.11Å; P243-F246 HydrophobicContact CG-CE2 3.65Å; P243-F246 HydrophobicContact CG-CZ 3.3Å; P243-F246 VanDerWaalsContact O-CE2 3.25Å; P243-F246 WeakPolarHBondContact O-CE2 3.26Å; F246-V258 HydrophobicContact CB-CG2 4.43Å; F246-V258 WeakPolarHBondContact O-CG1 3.38Å; F246-L277 HydrophobicContact CD2-CD2 3.54Å; F246-L277 HydrophobicContact CE1-CD2 4.4Å; F246-L277 HydrophobicContact CE2-CD2 3.13Å; F246-L277 HydrophobicContact CG-CD2 4.29Å; F246-L277 HydrophobicContact CZ-CD2 3.61Å; F246-L281 HydrophobicContact CE1-CD2 4.46Å |
| 247 | V | 67.3 | Low | 64 | Low | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.2 | 170.1 | -164.3 | 0 | 0 | 0 | 0 | 107.7 | A159 L160 F216 L245 | A159-V247 HydrophobicContact CB-CB 4.07Å; A159-V247 HydrophobicContact CB-CG1 3.43Å; A159-V247 VanDerWaalsContact CB-CG1 3.43Å; L160-V247 HydrophobicContact CD2-CG1 3.76Å; L160-V247 HydrophobicContact CD2-CG2 4.23Å; L160-V247 HydrophobicContact CG-CG1 4.05Å; F216-V247 HydrophobicContact CB-CB 4.31Å; F216-V247 HydrophobicContact CD1-CG2 4.09Å; F216-V247 PolarHBondContact N-O 2.9Å; F216-V247 PolarHBondContact O-N 3.17Å; L245-V247 HydrophobicContact CD1-CG2 3.66Å; L245-V247 HydrophobicContact CG-CG2 4.2Å |
| 248 | D | 70.8 | Confident | 65 | Low | 30 Ų | 30 | 60 Ų | 60 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 161.5 | 173 | -164.1 | -71.5 | 0 | 0 | 0 | 107.3 | D250 I253 V254 | D248-D250 VanDerWaalsContact OD1-CB 3.31Å; D248-D250 WeakPolarHBondContact OD1-CB 3.35Å; D248-D250 PolarHBondContact OD1-N 2.98Å; D248-I253 HydrophobicContact CB-CB 4.23Å; D248-I253 HydrophobicContact CB-CG2 3.63Å; D248-V254 WeakPolarHBondContact O-CG2 3.4Å |
| 249 | N | 71.4 | Confident | 65.7 | Low | 38 Ų | 38 | 59.9 Ų | 59.9 | 20% | 0.203 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -96.7 | -10.5 | 179.8 | -66.7 | 19.3 | 0 | 0 | 0 | 112.6 | A159 N212 E251 | A159-N249 WeakPolarHBondContact CA-OD1 3.47Å; A159-N249 WeakPolarHBondContact CB-OD1 3.35Å; N212-N249 WeakPolarHBondContact O-CB 3.44Å; N212-N249 PolarHBondContact O-ND2 2.73Å; N249-E251 PolarHBondContact O-N 3.32Å |
| 250 | D | 73 | Confident | 66.4 | Low | 74 Ų | 74 | 53.8 Ų | 53.8 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | trans | -71 | 112.2 | 172.4 | -175.9 | -51.5 | 0 | 0 | 0 | 108.8 | D248 E252 I253 V254 | D248-D250 VanDerWaalsContact OD1-CB 3.31Å; D248-D250 WeakPolarHBondContact OD1-CB 3.35Å; D248-D250 PolarHBondContact OD1-N 2.98Å; D250-E252 PolarHBondContact O-N 3.28Å; D250-E252 VanDerWaalsContact O-N 3.1Å; D250-E252 WeakPolarHBondContact OD1-CA 3.48Å; D250-E252 VanDerWaalsContact OD1-CB 3.28Å; D250-E252 WeakPolarHBondContact OD1-CB 3.29Å; D250-E252 PolarHBondContact OD1-N 3Å; D250-I253 HydrophobicContact CB-CB 3.96Å; D250-I253 HydrophobicContact CB-CD1 3.89Å; D250-I253 HydrophobicContact CB-CG1 3.89Å; D250-I253 PolarHBondContact O-N 3.42Å; D250-I253 PolarHBondContact OD1-N 2.95Å; D250-I253 VanDerWaalsContact OD1-N 3.07Å; D250-V254 WeakPolarHBondContact O-CG2 3.5Å; D250-V254 PolarHBondContact O-N 3.06Å | ||
| 251 | E | 73.7 | Confident | 67.2 | Low | 169 Ų | 169 | 49.3 Ų | 49.3 | 79% | 0.79 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -54.1 | -32.4 | -177.9 | -72.2 | -171.4 | 164.7 | 0 | 0 | 112.5 | N249 E255 | N249-E251 PolarHBondContact O-N 3.32Å; E251-E255 VanDerWaalsContact O-CB 3.27Å; E251-E255 WeakPolarHBondContact O-CB 3.34Å; E251-E255 PolarHBondContact O-N 2.9Å |
| 252 | E | 71 | Confident | 67.7 | Low | 78 Ų | 78 | 45.4 Ų | 45.4 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -76.6 | -41.1 | 179.1 | -53.5 | -168.4 | 145.8 | 0 | 0 | 111.2 | D250 V254 E255 Y256 K286 | D250-E252 PolarHBondContact O-N 3.28Å; D250-E252 VanDerWaalsContact O-N 3.1Å; D250-E252 WeakPolarHBondContact OD1-CA 3.48Å; D250-E252 VanDerWaalsContact OD1-CB 3.28Å; D250-E252 WeakPolarHBondContact OD1-CB 3.29Å; D250-E252 PolarHBondContact OD1-N 3Å; E252-V254 VanDerWaalsContact C-N 3.28Å; E252-V254 PolarHBondContact O-N 3.15Å; E252-E255 PolarHBondContact O-N 2.95Å; E252-Y256 HydrophobicContact CB-CD2 4.07Å; E252-Y256 HydrophobicContact CB-CE2 4.27Å; E252-Y256 WeakPolarHBondContact O-CB 3.35Å; E252-Y256 WeakPolarHBondContact O-CD2 3.39Å; E252-Y256 PolarHBondContact O-N 3.18Å; E252-K286 IonicContact OE1-NZ 2.69Å; E252-K286 PolarHBondContact OE1-NZ 2.86Å; E252-K286 WeakPolarHBondContact OE2-CD 3.1Å; E252-K286 WeakPolarHBondContact OE2-CE 3.28Å; E252-K286 IonicContact OE2-NZ 3.76Å; E252-K286 PolarHBondContact OE2-NZ 2.89Å |
| 253 | I | 74 | Confident | 68.1 | Low | 15 Ų | 15 | 47.9 Ų | 47.9 | 8% | 0.077 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 171.5 | -67.6 | -179.4 | 0 | 0 | 0 | 110.2 | D248 D250 E255 A257 V258 Y279 A280 | D248-I253 HydrophobicContact CB-CB 4.23Å; D248-I253 HydrophobicContact CB-CG2 3.63Å; D250-I253 HydrophobicContact CB-CB 3.96Å; D250-I253 HydrophobicContact CB-CD1 3.89Å; D250-I253 HydrophobicContact CB-CG1 3.89Å; D250-I253 PolarHBondContact O-N 3.42Å; D250-I253 PolarHBondContact OD1-N 2.95Å; D250-I253 VanDerWaalsContact OD1-N 3.07Å; I253-E255 PolarHBondContact O-N 2.66Å; I253-A257 PolarHBondContact O-N 3.43Å; I253-V258 HydrophobicContact CG2-CG2 4.15Å; I253-V258 PolarHBondContact O-N 3.1Å; I253-Y279 HydrophobicContact CG1-CE1 4.07Å; I253-A280 HydrophobicContact CG2-CB 3.79Å |
| 254 | V | 69.3 | Low | 68.2 | Low | 34 Ų | 34 | 52.5 Ų | 52.5 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -60.2 | -48.2 | 178.1 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | D248 D250 E252 K259 | D248-V254 WeakPolarHBondContact O-CG2 3.4Å; D250-V254 WeakPolarHBondContact O-CG2 3.5Å; D250-V254 PolarHBondContact O-N 3.06Å; E252-V254 VanDerWaalsContact C-N 3.28Å; E252-V254 PolarHBondContact O-N 3.15Å; V254-K259 HydrophobicContact CG1-CG 4.43Å; V254-K259 WeakPolarHBondContact O-CB 3.39Å; V254-K259 WeakPolarHBondContact O-CG 3.42Å; V254-K259 PolarHBondContact O-N 3.07Å |
| 255 | E | 70.5 | Confident | 67.7 | Low | 91 Ų | 91 | 54.7 Ų | 54.7 | 43% | 0.425 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -67.7 | -47.3 | -178.1 | -171.3 | 63.2 | -156.3 | 0 | 0 | 112.7 | E251 E252 I253 K259 P260 | E251-E255 VanDerWaalsContact O-CB 3.27Å; E251-E255 WeakPolarHBondContact O-CB 3.34Å; E251-E255 PolarHBondContact O-N 2.9Å; E252-E255 PolarHBondContact O-N 2.95Å; I253-E255 PolarHBondContact O-N 2.66Å; E255-K259 WeakPolarHBondContact OE2-CE 3.46Å; E255-K259 IonicContact OE2-NZ 3.86Å; E255-K259 PolarHBondContact OE2-NZ 2.89Å; E255-P260 VanDerWaalsContact O-CD 3.29Å; E255-P260 WeakPolarHBondContact O-CD 3.48Å |
| 256 | Y | 72 | Confident | 67 | Low | 126 Ų | 126 | 55.9 Ų | 55.9 | 49% | 0.494 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -99.6 | -16.4 | -165.6 | -62.7 | -66.3 | 0 | 0 | 0 | 114.9 | E252 Y289 | E252-Y256 HydrophobicContact CB-CD2 4.07Å; E252-Y256 HydrophobicContact CB-CE2 4.27Å; E252-Y256 WeakPolarHBondContact O-CB 3.35Å; E252-Y256 WeakPolarHBondContact O-CD2 3.39Å; E252-Y256 PolarHBondContact O-N 3.18Å; Y256-Y289 PolarHBondContact O-OH 3.4Å |
| 257 | A | 71.7 | Confident | 65.7 | Low | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -120.3 | -55 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | I253 P260 L261 R276 Y279 A280 | I253-A257 PolarHBondContact O-N 3.43Å; A257-P260 WeakPolarHBondContact O-CD 3.47Å; A257-L261 WeakPolarHBondContact O-CB 3.39Å; A257-L261 WeakPolarHBondContact O-CD1 3.19Å; A257-L261 WeakPolarHBondContact O-CG 3.44Å; A257-L261 PolarHBondContact O-N 2.79Å; A257-R276 HydrophobicContact CB-CB 4.01Å; A257-R276 HydrophobicContact CB-CG 4.4Å; A257-R276 VanDerWaalsContact CB-O 3.25Å; A257-R276 WeakPolarHBondContact CB-O 3.46Å; A257-Y279 HydrophobicContact CB-CD1 3.8Å; A257-A280 HydrophobicContact CB-CB 3.93Å |
| 258 | V | 68.5 | Low | 64.7 | Low | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -64.7 | -54.2 | -173.2 | 166.1 | 0 | 0 | 0 | 0 | 111.6 | F246 I253 L261 L262 | F246-V258 HydrophobicContact CB-CG2 4.43Å; F246-V258 WeakPolarHBondContact O-CG1 3.38Å; I253-V258 HydrophobicContact CG2-CG2 4.15Å; I253-V258 PolarHBondContact O-N 3.1Å; V258-L261 WeakPolarHBondContact O-CB 3.19Å; V258-L261 PolarHBondContact O-N 2.82Å; V258-L261 VanDerWaalsContact O-N 3.12Å; V258-L262 HydrophobicContact CG1-CD1 3.44Å; V258-L262 VanDerWaalsContact CG1-CD1 3.44Å; V258-L262 HydrophobicContact CG1-CG 4.25Å; V258-L262 WeakPolarHBondContact O-CD1 3.28Å; V258-L262 WeakPolarHBondContact O-CG 3.41Å; V258-L262 PolarHBondContact O-N 2.85Å |
| 259 | K | 67.3 | Low | 63.5 | Low | 74 Ų | 74 | 64.2 Ų | 64.2 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.5 | -46.7 | 180 | -79.6 | -178.3 | -171.9 | 174.8 | 0 | 112.5 | V254 E255 L262 A263 | V254-K259 HydrophobicContact CG1-CG 4.43Å; V254-K259 WeakPolarHBondContact O-CB 3.39Å; V254-K259 WeakPolarHBondContact O-CG 3.42Å; V254-K259 PolarHBondContact O-N 3.07Å; E255-K259 WeakPolarHBondContact OE2-CE 3.46Å; E255-K259 IonicContact OE2-NZ 3.86Å; E255-K259 PolarHBondContact OE2-NZ 2.89Å; K259-L262 PolarHBondContact O-N 3.15Å; K259-A263 WeakPolarHBondContact O-CB 3.38Å; K259-A263 PolarHBondContact O-N 3.46Å |
| 260 | P | 67 | Low | 63.2 | Low | 36 Ų | 36 | 65.8 Ų | 65.8 | 23% | 0.234 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 172.9 | -28.1 | 35.5 | 0 | 0 | 0 | 114.2 | E255 A257 L262 A263 Q264 | E255-P260 VanDerWaalsContact O-CD 3.29Å; E255-P260 WeakPolarHBondContact O-CD 3.48Å; A257-P260 WeakPolarHBondContact O-CD 3.47Å; P260-L262 PolarHBondContact O-N 3.23Å; P260-A263 PolarHBondContact O-N 2.89Å; P260-Q264 PolarHBondContact O-N 2.63Å |
| 261 | L | 67.4 | Low | 63 | Low | 18 Ų | 18 | 67.8 Ų | 67.8 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.8 | -38 | 176 | -75.5 | 167.7 | 0 | 0 | 0 | 111.9 | A257 V258 Q264 V273 R276 L277 | A257-L261 WeakPolarHBondContact O-CB 3.39Å; A257-L261 WeakPolarHBondContact O-CD1 3.19Å; A257-L261 WeakPolarHBondContact O-CG 3.44Å; A257-L261 PolarHBondContact O-N 2.79Å; V258-L261 WeakPolarHBondContact O-CB 3.19Å; V258-L261 PolarHBondContact O-N 2.82Å; V258-L261 VanDerWaalsContact O-N 3.12Å; L261-Q264 CarbonylContact O-C 3.6Å; L261-V273 HydrophobicContact CD2-CB 4.36Å; L261-V273 HydrophobicContact CD2-CG1 3.72Å; L261-R276 HydrophobicContact CD1-CB 3.94Å; L261-R276 HydrophobicContact CD2-CB 3.94Å; L261-R276 HydrophobicContact CG-CB 3.8Å; L261-L277 HydrophobicContact CD1-CD2 3.69Å; L261-L277 HydrophobicContact CD1-CG 4.04Å; L261-L277 HydrophobicContact CD2-CD2 4.41Å; L261-L277 HydrophobicContact CD2-CG 4.14Å |
| 262 | L | 61.9 | Low | 62.7 | Low | 44 Ų | 44 | 62.3 Ų | 62.3 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.3 | -38 | 177.4 | -65.8 | 162.3 | 0 | 0 | 0 | 112.5 | W133 L245 V258 K259 P260 | W133-L262 HydrophobicContact CH2-CD1 3.39Å; W133-L262 HydrophobicContact CH2-CD2 3.79Å; W133-L262 HydrophobicContact CH2-CG 4.18Å; W133-L262 HydrophobicContact CZ2-CD1 3.58Å; W133-L262 HydrophobicContact CZ2-CD2 3.9Å; W133-L262 HydrophobicContact CZ2-CG 4.19Å; L245-L262 HydrophobicContact CB-CD2 4.13Å; L245-L262 HydrophobicContact CD1-CD1 4.3Å; L245-L262 HydrophobicContact CD1-CD2 3.43Å; L245-L262 VanDerWaalsContact CD1-CD2 3.43Å; L245-L262 HydrophobicContact CD1-CG 4.42Å; L245-L262 HydrophobicContact CG-CD2 4.39Å; V258-L262 HydrophobicContact CG1-CD1 3.44Å; V258-L262 VanDerWaalsContact CG1-CD1 3.44Å; V258-L262 HydrophobicContact CG1-CG 4.25Å; V258-L262 WeakPolarHBondContact O-CD1 3.28Å; V258-L262 WeakPolarHBondContact O-CG 3.41Å; V258-L262 PolarHBondContact O-N 2.85Å; K259-L262 PolarHBondContact O-N 3.15Å; P260-L262 PolarHBondContact O-N 3.23Å |
| 263 | A | 63.2 | Low | 62.5 | Low | 83 Ų | 83 | 58.9 Ų | 58.9 | 69% | 0.686 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -74.1 | -28.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K259 P260 | K259-A263 WeakPolarHBondContact O-CB 3.38Å; K259-A263 PolarHBondContact O-N 3.46Å; P260-A263 PolarHBondContact O-N 2.89Å |
| 264 | Q | 57.3 | Low | 62.3 | Low | 128 Ų | 128 | 59.3 Ų | 59.3 | 60% | 0.598 | 33% | 0.33 | S | S | * | . | trans | -133.5 | 89.5 | -175.3 | -64.2 | -176.9 | 3.3 | 0 | 0 | 110.2 | P260 L261 G266 | P260-Q264 PolarHBondContact O-N 2.63Å; L261-Q264 CarbonylContact O-C 3.6Å; Q264-G266 VanDerWaalsContact C-N 3.35Å; Q264-G266 PolarHBondContact O-N 2.61Å | ||
| 265 | S | 52.2 | Low | 62.7 | Low | 85 Ų | 85 | 58.8 Ų | 58.8 | 59% | 0.594 | 33% | 0.326 | S | S | * | . | trans | -74 | 86.3 | 172.2 | -34.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 266 | G | 47.3 | Very low | 63.1 | Low | 26 Ų | 26 | 56.2 Ų | 56.2 | 27% | 0.268 | 31% | 0.312 | S | S | . | . | trans | -97.3 | 155.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q264 | Q264-G266 VanDerWaalsContact C-N 3.35Å; Q264-G266 PolarHBondContact O-N 2.61Å | ||
| 267 | P | 43.7 | Very low | 63 | Low | 43 Ų | 43 | 50.8 Ų | 50.8 | 28% | 0.279 | 29% | 0.292 | S | S | . | . | trans | -68.8 | 159.8 | 171 | 14.5 | -1.8 | 0 | 0 | 0 | 111.2 | D269 D270 | P267-D269 VanDerWaalsContact C-OD1 3.23Å; P267-D269 WeakPolarHBondContact CB-OD1 3.48Å; P267-D269 WeakPolarHBondContact CG-OD1 3.41Å; P267-D269 PolarHBondContact O-N 3.46Å; P267-D269 VanDerWaalsContact O-N 3.1Å; P267-D270 WeakPolarHBondContact O-CB 3.17Å; P267-D270 PolarHBondContact O-N 3Å | ||
| 268 | L | 46.1 | Very low | 63.2 | Low | 59 Ų | 59 | 54.1 Ų | 54.1 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13.3 | -179.5 | -97.5 | 174.8 | 0 | 0 | 0 | 115.1 | L242 D270 A274 L277 | L242-L268 HydrophobicContact CD1-CB 4.32Å; L242-L268 HydrophobicContact CD1-CD1 4.38Å; L242-L268 HydrophobicContact CD1-CD2 3.78Å; L242-L268 HydrophobicContact CD1-CG 3.47Å; L242-L268 VanDerWaalsContact CD1-CG 3.47Å; L242-L268 HydrophobicContact CD2-CD1 3.41Å; L242-L268 VanDerWaalsContact CD2-CD1 3.41Å; L242-L268 HydrophobicContact CD2-CD2 3.77Å; L242-L268 HydrophobicContact CD2-CG 3.43Å; L242-L268 VanDerWaalsContact CD2-CG 3.43Å; L242-L268 HydrophobicContact CG-CB 4.49Å; L242-L268 HydrophobicContact CG-CD1 3.83Å; L242-L268 HydrophobicContact CG-CD2 4.11Å; L242-L268 HydrophobicContact CG-CG 3.46Å; L242-L268 VanDerWaalsContact CG-CG 3.46Å; L268-D270 PolarHBondContact O-N 3.27Å; L268-A274 HydrophobicContact CD2-CB 4.06Å; L268-L277 HydrophobicContact CD2-CD1 3.71Å |
| 269 | D | 45.5 | Very low | 63.8 | Low | 123 Ų | 123 | 54.5 Ų | 54.5 | 66% | 0.658 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.9 | 173.2 | 55 | -8.7 | 0 | 0 | 0 | 111.9 | P267 I271 | P267-D269 VanDerWaalsContact C-OD1 3.23Å; P267-D269 WeakPolarHBondContact CB-OD1 3.48Å; P267-D269 WeakPolarHBondContact CG-OD1 3.41Å; P267-D269 PolarHBondContact O-N 3.46Å; P267-D269 VanDerWaalsContact O-N 3.1Å; D269-I271 PolarHBondContact O-N 3.45Å |
| 270 | D | 63.8 | Low | 64 | Low | 71 Ų | 71 | 51 Ų | 51 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -78.7 | 113.1 | 165.8 | -163.5 | -32.4 | 0 | 0 | 0 | 110.4 | P267 L268 D272 V273 A274 | P267-D270 WeakPolarHBondContact O-CB 3.17Å; P267-D270 PolarHBondContact O-N 3Å; L268-D270 PolarHBondContact O-N 3.27Å; D270-D272 PolarHBondContact O-N 3.32Å; D270-D272 VanDerWaalsContact O-N 3.15Å; D270-D272 WeakPolarHBondContact OD1-CB 3.5Å; D270-D272 PolarHBondContact OD1-N 2.94Å; D270-V273 HydrophobicContact CB-CB 4.32Å; D270-V273 HydrophobicContact CB-CG2 3.95Å; D270-V273 WeakPolarHBondContact O-CB 3.09Å; D270-V273 PolarHBondContact O-N 2.51Å; D270-A274 PolarHBondContact O-N 3.26Å; D270-A274 VanDerWaalsContact O-N 3.14Å |
| 271 | I | 69 | Low | 64.2 | Low | 117 Ų | 117 | 53 Ų | 53 | 60% | 0.6 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -55.8 | -31.8 | 179.6 | -162.3 | 168.5 | 0 | 0 | 0 | 111.7 | D269 V273 A274 L275 | D269-I271 PolarHBondContact O-N 3.45Å; I271-V273 PolarHBondContact O-N 2.96Å; I271-A274 PolarHBondContact O-N 3.34Å; I271-L275 HydrophobicContact CG1-CD1 4Å; I271-L275 HydrophobicContact CG1-CG 4.26Å; I271-L275 VanDerWaalsContact O-CB 3.31Å; I271-L275 WeakPolarHBondContact O-CB 3.36Å; I271-L275 WeakPolarHBondContact O-CD1 3.49Å; I271-L275 WeakPolarHBondContact O-CG 3.48Å; I271-L275 PolarHBondContact O-N 3.43Å |
| 272 | D | 69.1 | Low | 64.3 | Low | 54 Ų | 54 | 54.9 Ų | 54.9 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 179.6 | -72.1 | -13.2 | 0 | 0 | 0 | 111.4 | D270 R276 | D270-D272 PolarHBondContact O-N 3.32Å; D270-D272 VanDerWaalsContact O-N 3.15Å; D270-D272 WeakPolarHBondContact OD1-CB 3.5Å; D270-D272 PolarHBondContact OD1-N 2.94Å; D272-R276 WeakPolarHBondContact O-CB 3.41Å; D272-R276 WeakPolarHBondContact O-CD 3.2Å; D272-R276 WeakPolarHBondContact O-CG 3.47Å; D272-R276 PolarHBondContact O-N 3.36Å |
| 273 | V | 65.8 | Low | 65.1 | Low | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.03 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.8 | -46.4 | 176.1 | 176 | 0 | 0 | 0 | 0 | 109.8 | L242 L261 D270 I271 L275 R276 L277 | L242-V273 HydrophobicContact CD1-CG1 3.48Å; L242-V273 VanDerWaalsContact CD1-CG1 3.48Å; L261-V273 HydrophobicContact CD2-CB 4.36Å; L261-V273 HydrophobicContact CD2-CG1 3.72Å; D270-V273 HydrophobicContact CB-CB 4.32Å; D270-V273 HydrophobicContact CB-CG2 3.95Å; D270-V273 WeakPolarHBondContact O-CB 3.09Å; D270-V273 PolarHBondContact O-N 2.51Å; I271-V273 PolarHBondContact O-N 2.96Å; V273-L275 PolarHBondContact O-N 2.95Å; V273-R276 PolarHBondContact O-N 3.49Å; V273-L277 HydrophobicContact CG1-CD1 4.12Å; V273-L277 WeakPolarHBondContact O-CG 3.05Å; V273-L277 PolarHBondContact O-N 3.38Å |
| 274 | A | 70.7 | Confident | 66.1 | Low | 25 Ų | 25 | 58.1 Ų | 58.1 | 21% | 0.207 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L268 D270 I271 L277 I278 | L268-A274 HydrophobicContact CD2-CB 4.06Å; D270-A274 PolarHBondContact O-N 3.26Å; D270-A274 VanDerWaalsContact O-N 3.14Å; I271-A274 PolarHBondContact O-N 3.34Å; A274-L277 PolarHBondContact O-N 2.71Å; A274-I278 WeakPolarHBondContact O-CD1 3.28Å; A274-I278 WeakPolarHBondContact O-CG1 3.46Å; A274-I278 PolarHBondContact O-N 3.12Å |
| 275 | L | 77.9 | Confident | 67.3 | Low | 22 Ų | 22 | 56.8 Ų | 56.8 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 178.2 | -74.3 | 167.1 | 0 | 0 | 0 | 112.2 | I271 V273 L277 I278 Y279 M284 Y289 I292 | I271-L275 HydrophobicContact CG1-CD1 4Å; I271-L275 HydrophobicContact CG1-CG 4.26Å; I271-L275 VanDerWaalsContact O-CB 3.31Å; I271-L275 WeakPolarHBondContact O-CB 3.36Å; I271-L275 WeakPolarHBondContact O-CD1 3.49Å; I271-L275 WeakPolarHBondContact O-CG 3.48Å; I271-L275 PolarHBondContact O-N 3.43Å; V273-L275 PolarHBondContact O-N 2.95Å; L275-L277 VanDerWaalsContact C-N 3.3Å; L275-L277 PolarHBondContact O-N 2.78Å; L275-I278 PolarHBondContact O-N 3.19Å; L275-Y279 WeakPolarHBondContact O-CB 3.2Å; L275-Y279 PolarHBondContact O-N 3.38Å; L275-M284 HydrophobicContact CD2-CE 3.71Å; L275-M284 HydrophobicContact CD2-SD 4.46Å; L275-Y289 HydrophobicContact CB-CE2 4.46Å; L275-I292 HydrophobicContact CD1-CG2 3.44Å; L275-I292 VanDerWaalsContact CD1-CG2 3.44Å; L275-I292 HydrophobicContact CD2-CD1 3.9Å; L275-I292 HydrophobicContact CD2-CG2 3.99Å; L275-I292 HydrophobicContact CG-CG2 4.37Å |
| 276 | R | 77.8 | Confident | 68.7 | Low | 38 Ų | 38 | 57.3 Ų | 57.3 | 14% | 0.143 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 175.9 | -74.6 | 166.9 | -173.4 | 145.6 | 11.6 | 112.1 | A257 L261 D272 V273 Y279 A280 Y289 | A257-R276 HydrophobicContact CB-CB 4.01Å; A257-R276 HydrophobicContact CB-CG 4.4Å; A257-R276 VanDerWaalsContact CB-O 3.25Å; A257-R276 WeakPolarHBondContact CB-O 3.46Å; L261-R276 HydrophobicContact CD1-CB 3.94Å; L261-R276 HydrophobicContact CD2-CB 3.94Å; L261-R276 HydrophobicContact CG-CB 3.8Å; D272-R276 WeakPolarHBondContact O-CB 3.41Å; D272-R276 WeakPolarHBondContact O-CD 3.2Å; D272-R276 WeakPolarHBondContact O-CG 3.47Å; D272-R276 PolarHBondContact O-N 3.36Å; V273-R276 PolarHBondContact O-N 3.49Å; R276-Y279 PolarHBondContact O-N 3.26Å; R276-A280 VanDerWaalsContact O-CB 3.28Å; R276-A280 WeakPolarHBondContact O-CB 3.04Å; R276-A280 PolarHBondContact O-N 3.36Å; R276-Y289 HydrophobicContact CG-CE2 4.2Å; R276-Y289 VanDerWaalsContact CG-OH 3.29Å; R276-Y289 WeakPolarHBondContact CG-OH 3.48Å |
| 277 | L | 70.6 | Confident | 70.6 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 175.9 | -72.1 | 169.2 | 0 | 0 | 0 | 112.1 | L242 F246 L261 L268 V273 A274 L275 Y279 A280 L281 | L242-L277 HydrophobicContact CD1-CD1 3.69Å; L242-L277 HydrophobicContact CD2-CD1 3.46Å; L242-L277 VanDerWaalsContact CD2-CD1 3.46Å; L242-L277 HydrophobicContact CG-CD1 4.19Å; F246-L277 HydrophobicContact CD2-CD2 3.54Å; F246-L277 HydrophobicContact CE1-CD2 4.4Å; F246-L277 HydrophobicContact CE2-CD2 3.13Å; F246-L277 HydrophobicContact CG-CD2 4.29Å; F246-L277 HydrophobicContact CZ-CD2 3.61Å; L261-L277 HydrophobicContact CD1-CD2 3.69Å; L261-L277 HydrophobicContact CD1-CG 4.04Å; L261-L277 HydrophobicContact CD2-CD2 4.41Å; L261-L277 HydrophobicContact CD2-CG 4.14Å; L268-L277 HydrophobicContact CD2-CD1 3.71Å; V273-L277 HydrophobicContact CG1-CD1 4.12Å; V273-L277 WeakPolarHBondContact O-CG 3.05Å; V273-L277 PolarHBondContact O-N 3.38Å; A274-L277 PolarHBondContact O-N 2.71Å; L275-L277 VanDerWaalsContact C-N 3.3Å; L275-L277 PolarHBondContact O-N 2.78Å; L277-Y279 VanDerWaalsContact C-N 3.28Å; L277-Y279 PolarHBondContact O-N 3.12Å; L277-A280 PolarHBondContact O-N 3.08Å; L277-L281 WeakPolarHBondContact O-CB 3.48Å; L277-L281 WeakPolarHBondContact O-CG 3.27Å; L277-L281 PolarHBondContact O-N 3.14Å |
| 278 | I | 76 | Confident | 72.7 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 36% | 0.359 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 176.8 | -65 | 164.1 | 0 | 0 | 0 | 110.1 | A274 L275 K283 M284 | A274-I278 WeakPolarHBondContact O-CD1 3.28Å; A274-I278 WeakPolarHBondContact O-CG1 3.46Å; A274-I278 PolarHBondContact O-N 3.12Å; L275-I278 PolarHBondContact O-N 3.19Å; I278-K283 HydrophobicContact CG2-CB 3.73Å; I278-K283 WeakPolarHBondContact O-CB 3.15Å; I278-K283 PolarHBondContact O-N 2.98Å; I278-M284 HydrophobicContact CB-CE 4.42Å; I278-M284 HydrophobicContact CG2-CB 3.85Å; I278-M284 HydrophobicContact CG2-CE 3.88Å |
| 279 | Y | 80.2 | Confident | 74.5 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 4% | 0.043 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -48.3 | 174 | -177.4 | -122.2 | 0 | 0 | 0 | 111.8 | I253 A257 L275 R276 L277 L281 G282 M284 K286 Y289 | I253-Y279 HydrophobicContact CG1-CE1 4.07Å; A257-Y279 HydrophobicContact CB-CD1 3.8Å; L275-Y279 WeakPolarHBondContact O-CB 3.2Å; L275-Y279 PolarHBondContact O-N 3.38Å; R276-Y279 PolarHBondContact O-N 3.26Å; L277-Y279 VanDerWaalsContact C-N 3.28Å; L277-Y279 PolarHBondContact O-N 3.12Å; Y279-L281 PolarHBondContact O-N 3.49Å; Y279-G282 PolarHBondContact O-N 3.26Å; Y279-M284 WeakPolarHBondContact CD2-O 2.89Å; Y279-K286 HydrophobicContact CE2-CB 4.03Å; Y279-Y289 AromaticContact CD1-CD1 3.82Å; Y279-Y289 HydrophobicContact CD1-CD1 3.82Å; Y279-Y289 HydrophobicContact CD1-CD2 4.4Å; Y279-Y289 AromaticContact CD1-CE1 3.98Å; Y279-Y289 HydrophobicContact CD1-CE1 3.98Å; Y279-Y289 HydrophobicContact CD1-CG 4.04Å; Y279-Y289 HydrophobicContact CD2-CD1 4.38Å; Y279-Y289 HydrophobicContact CD2-CG 4.04Å; Y279-Y289 HydrophobicContact CE1-CD1 4.07Å; Y279-Y289 HydrophobicContact CE1-CE1 4.32Å; Y279-Y289 HydrophobicContact CG-CD1 4.01Å; Y279-Y289 HydrophobicContact CG-CD2 4.03Å; Y279-Y289 AromaticContact CG-CG 3.75Å; Y279-Y289 HydrophobicContact CG-CG 3.75Å |
| 280 | A | 72.7 | Confident | 76.4 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -26 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I253 A257 R276 L277 G282 | I253-A280 HydrophobicContact CG2-CB 3.79Å; A257-A280 HydrophobicContact CB-CB 3.93Å; R276-A280 VanDerWaalsContact O-CB 3.28Å; R276-A280 WeakPolarHBondContact O-CB 3.04Å; R276-A280 PolarHBondContact O-N 3.36Å; L277-A280 PolarHBondContact O-N 3.08Å; A280-G282 PolarHBondContact O-N 3.4Å |
| 281 | L | 69.9 | Low | 77.7 | Confident | 78 Ų | 78 | 52 Ų | 52 | 41% | 0.408 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 7.1 | 174.7 | -67 | 171.6 | 0 | 0 | 0 | 113.1 | L215 F246 L277 Y279 K283 | L215-L281 HydrophobicContact CD1-CD2 4.49Å; L215-L281 HydrophobicContact CD2-CD2 3.76Å; F246-L281 HydrophobicContact CE1-CD2 4.46Å; L277-L281 WeakPolarHBondContact O-CB 3.48Å; L277-L281 WeakPolarHBondContact O-CG 3.27Å; L277-L281 PolarHBondContact O-N 3.14Å; Y279-L281 PolarHBondContact O-N 3.49Å; L281-K283 HydrophobicContact CB-CG 4.03Å; L281-K283 PolarHBondContact O-N 3.09Å |
| 282 | G | 69.5 | Low | 78.5 | Confident | 57 Ų | 57 | 48.8 Ų | 48.8 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 23.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y279 A280 | Y279-G282 PolarHBondContact O-N 3.26Å; A280-G282 PolarHBondContact O-N 3.4Å |
| 283 | K | 79 | Confident | 79.2 | Confident | 167 Ų | 167 | 48.3 Ų | 48.3 | 73% | 0.726 | 25% | 0.254 | S | S | * | . | trans | -93.9 | -2.4 | -179 | -59.2 | -56.8 | 179.2 | -172.5 | 0 | 113.3 | I278 L281 | I278-K283 HydrophobicContact CG2-CB 3.73Å; I278-K283 WeakPolarHBondContact O-CB 3.15Å; I278-K283 PolarHBondContact O-N 2.98Å; L281-K283 HydrophobicContact CB-CG 4.03Å; L281-K283 PolarHBondContact O-N 3.09Å | ||
| 284 | M | 83.8 | Confident | 80.1 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -139.2 | 135 | 179.7 | 177.5 | 177 | -57.1 | 0 | 0 | 109.5 | L275 I278 Y279 L288 Y289 I292 | L275-M284 HydrophobicContact CD2-CE 3.71Å; L275-M284 HydrophobicContact CD2-SD 4.46Å; I278-M284 HydrophobicContact CB-CE 4.42Å; I278-M284 HydrophobicContact CG2-CB 3.85Å; I278-M284 HydrophobicContact CG2-CE 3.88Å; Y279-M284 WeakPolarHBondContact CD2-O 2.89Å; M284-L288 HydrophobicContact CG-CB 4.05Å; M284-L288 HydrophobicContact CG-CD2 4.05Å; M284-L288 HydrophobicContact CG-CG 4.06Å; M284-L288 HydrophobicContact SD-CG 4.32Å; M284-Y289 VanDerWaalsContact SD-CA 3.55Å; M284-Y289 HydrophobicContact SD-CD2 4.22Å; M284-I292 HydrophobicContact CE-CD1 3.79Å; M284-I292 HydrophobicContact SD-CD1 3.81Å |
| 285 | D | 83 | Confident | 80.9 | Confident | 100 Ų | 100 | 54.3 Ų | 54.3 | 54% | 0.535 | 28% | 0.276 | S | S | . | . | trans | -67.7 | 146.7 | 174.2 | -70.8 | -22.5 | 0 | 0 | 0 | 111.2 | W287 L288 Y289 | D285-W287 VanDerWaalsContact C-N 3.3Å; D285-W287 VanDerWaalsContact CB-CD1 3.47Å; D285-W287 HydrophobicContact CB-CG 4.37Å; D285-W287 VanDerWaalsContact CB-NE1 3.32Å; D285-W287 PolarHBondContact O-N 2.97Å; D285-W287 PolarHBondContact OD2-NE1 3.3Å; D285-L288 HydrophobicContact CB-CB 4.4Å; D285-L288 WeakPolarHBondContact O-CB 3.19Å; D285-L288 PolarHBondContact O-N 3.45Å; D285-Y289 PolarHBondContact O-N 3.23Å | ||
| 286 | K | 82.3 | Confident | 81.2 | Confident | 97 Ų | 97 | 54.9 Ų | 54.9 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -51.1 | -45.1 | 176.2 | -178.6 | -172.5 | -173.8 | 177.2 | 0 | 113.8 | E252 Y279 L288 Y289 A290 | E252-K286 IonicContact OE1-NZ 2.69Å; E252-K286 PolarHBondContact OE1-NZ 2.86Å; E252-K286 WeakPolarHBondContact OE2-CD 3.1Å; E252-K286 WeakPolarHBondContact OE2-CE 3.28Å; E252-K286 IonicContact OE2-NZ 3.76Å; E252-K286 PolarHBondContact OE2-NZ 2.89Å; Y279-K286 HydrophobicContact CE2-CB 4.03Å; K286-L288 VanDerWaalsContact C-N 3.26Å; K286-L288 PolarHBondContact O-N 2.8Å; K286-Y289 PolarHBondContact O-N 3.01Å; K286-A290 WeakPolarHBondContact O-CB 3.23Å; K286-A290 PolarHBondContact O-N 2.8Å |
| 287 | W | 86 | Confident | 81.5 | Confident | 86 Ų | 86 | 58.8 Ų | 58.8 | 33% | 0.326 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.5 | -33.7 | -178.3 | 69.9 | -90.4 | 0 | 0 | 0 | 111.4 | D285 D291 N324 | D285-W287 VanDerWaalsContact C-N 3.3Å; D285-W287 VanDerWaalsContact CB-CD1 3.47Å; D285-W287 HydrophobicContact CB-CG 4.37Å; D285-W287 VanDerWaalsContact CB-NE1 3.32Å; D285-W287 PolarHBondContact O-N 2.97Å; D285-W287 PolarHBondContact OD2-NE1 3.3Å; W287-D291 WeakPolarHBondContact O-CB 3.31Å; W287-D291 PolarHBondContact O-N 3.31Å; W287-N324 HydrophobicContact CB-CB 4.32Å; W287-N324 HydrophobicContact CE3-CB 4.05Å |
| 288 | L | 87.6 | Confident | 82.4 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -73.4 | -43.4 | 176.7 | -177.8 | 59.4 | 0 | 0 | 0 | 111 | M284 D285 K286 A290 D291 I292 | M284-L288 HydrophobicContact CG-CB 4.05Å; M284-L288 HydrophobicContact CG-CD2 4.05Å; M284-L288 HydrophobicContact CG-CG 4.06Å; M284-L288 HydrophobicContact SD-CG 4.32Å; D285-L288 HydrophobicContact CB-CB 4.4Å; D285-L288 WeakPolarHBondContact O-CB 3.19Å; D285-L288 PolarHBondContact O-N 3.45Å; K286-L288 VanDerWaalsContact C-N 3.26Å; K286-L288 PolarHBondContact O-N 2.8Å; L288-A290 VanDerWaalsContact C-N 3.31Å; L288-A290 PolarHBondContact O-N 3.23Å; L288-D291 PolarHBondContact O-N 2.8Å; L288-I292 HydrophobicContact CD1-CD1 4.23Å; L288-I292 HydrophobicContact CD1-CG1 4.36Å; L288-I292 HydrophobicContact CG-CD1 4.08Å; L288-I292 VanDerWaalsContact O-CG1 3.3Å; L288-I292 WeakPolarHBondContact O-CG1 3.37Å; L288-I292 PolarHBondContact O-N 2.95Å |
| 289 | Y | 85.1 | Confident | 82.9 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 10% | 0.102 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 173.3 | 175.9 | -108.1 | 0 | 0 | 0 | 111.7 | Y256 L275 R276 Y279 M284 D285 K286 T293 | Y256-Y289 PolarHBondContact O-OH 3.4Å; L275-Y289 HydrophobicContact CB-CE2 4.46Å; R276-Y289 HydrophobicContact CG-CE2 4.2Å; R276-Y289 VanDerWaalsContact CG-OH 3.29Å; R276-Y289 WeakPolarHBondContact CG-OH 3.48Å; Y279-Y289 AromaticContact CD1-CD1 3.82Å; Y279-Y289 HydrophobicContact CD1-CD1 3.82Å; Y279-Y289 HydrophobicContact CD1-CD2 4.4Å; Y279-Y289 AromaticContact CD1-CE1 3.98Å; Y279-Y289 HydrophobicContact CD1-CE1 3.98Å; Y279-Y289 HydrophobicContact CD1-CG 4.04Å; Y279-Y289 HydrophobicContact CD2-CD1 4.38Å; Y279-Y289 HydrophobicContact CD2-CG 4.04Å; Y279-Y289 HydrophobicContact CE1-CD1 4.07Å; Y279-Y289 HydrophobicContact CE1-CE1 4.32Å; Y279-Y289 HydrophobicContact CG-CD1 4.01Å; Y279-Y289 HydrophobicContact CG-CD2 4.03Å; Y279-Y289 AromaticContact CG-CG 3.75Å; Y279-Y289 HydrophobicContact CG-CG 3.75Å; M284-Y289 VanDerWaalsContact SD-CA 3.55Å; M284-Y289 HydrophobicContact SD-CD2 4.22Å; D285-Y289 PolarHBondContact O-N 3.23Å; K286-Y289 PolarHBondContact O-N 3.01Å; Y289-T293 WeakPolarHBondContact O-CB 3.14Å; Y289-T293 PolarHBondContact O-N 3.02Å; Y289-T293 VanDerWaalsContact O-N 3.08Å; Y289-T293 PolarHBondContact O-OG1 3.18Å |
| 290 | A | 85.1 | Confident | 83.1 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.5 | -50.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K286 L288 I292 T293 H294 | K286-A290 WeakPolarHBondContact O-CB 3.23Å; K286-A290 PolarHBondContact O-N 2.8Å; L288-A290 VanDerWaalsContact C-N 3.31Å; L288-A290 PolarHBondContact O-N 3.23Å; A290-I292 PolarHBondContact O-N 2.92Å; A290-T293 PolarHBondContact O-N 3.26Å; A290-H294 PolarHBondContact O-N 3.45Å; A290-H294 PolarHBondContact O-ND1 3.47Å |
| 291 | D | 89.9 | Confident | 83.9 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 179.5 | -81.7 | 18.5 | 0 | 0 | 0 | 111.5 | W287 L288 T293 H294 F295 N324 S325 | W287-D291 WeakPolarHBondContact O-CB 3.31Å; W287-D291 PolarHBondContact O-N 3.31Å; L288-D291 PolarHBondContact O-N 2.8Å; D291-T293 VanDerWaalsContact C-N 3.28Å; D291-T293 PolarHBondContact O-N 3.21Å; D291-H294 PolarHBondContact O-N 2.92Å; D291-H294 VanDerWaalsContact O-N 3.14Å; D291-F295 HydrophobicContact CB-CD2 4.43Å; D291-F295 HydrophobicContact CB-CE2 4.35Å; D291-F295 WeakPolarHBondContact O-CD2 3.49Å; D291-F295 PolarHBondContact O-N 2.85Å; D291-N324 VanDerWaalsContact OD1-CB 3.27Å; D291-N324 WeakPolarHBondContact OD1-CB 3.36Å; D291-N324 PolarHBondContact OD1-N 2.88Å; D291-N324 PolarHBondContact OD1-ND2 2.93Å; D291-N324 PolarHBondContact OD2-N 3.38Å; D291-S325 VanDerWaalsContact OD2-CB 3.31Å; D291-S325 WeakPolarHBondContact OD2-CB 3.26Å; D291-S325 PolarHBondContact OD2-N 3.26Å; D291-S325 PolarHBondContact OD2-OG 3.42Å |
| 292 | I | 86.9 | Confident | 84.7 | Confident | 49 Ų | 49 | 69 Ų | 69 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 178.3 | -65.8 | 167.9 | 0 | 0 | 0 | 111 | L275 M284 L288 A290 F295 S296 | L275-I292 HydrophobicContact CD1-CG2 3.44Å; L275-I292 VanDerWaalsContact CD1-CG2 3.44Å; L275-I292 HydrophobicContact CD2-CD1 3.9Å; L275-I292 HydrophobicContact CD2-CG2 3.99Å; L275-I292 HydrophobicContact CG-CG2 4.37Å; M284-I292 HydrophobicContact CE-CD1 3.79Å; M284-I292 HydrophobicContact SD-CD1 3.81Å; L288-I292 HydrophobicContact CD1-CD1 4.23Å; L288-I292 HydrophobicContact CD1-CG1 4.36Å; L288-I292 HydrophobicContact CG-CD1 4.08Å; L288-I292 VanDerWaalsContact O-CG1 3.3Å; L288-I292 WeakPolarHBondContact O-CG1 3.37Å; L288-I292 PolarHBondContact O-N 2.95Å; A290-I292 PolarHBondContact O-N 2.92Å; I292-F295 PolarHBondContact O-N 3.45Å; I292-S296 PolarHBondContact O-N 3.35Å |
| 293 | T | 82.6 | Confident | 85.5 | Confident | 45 Ų | 45 | 71.1 Ų | 71.1 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | Y289 A290 D291 S296 Q297 | Y289-T293 WeakPolarHBondContact O-CB 3.14Å; Y289-T293 PolarHBondContact O-N 3.02Å; Y289-T293 VanDerWaalsContact O-N 3.08Å; Y289-T293 PolarHBondContact O-OG1 3.18Å; A290-T293 PolarHBondContact O-N 3.26Å; D291-T293 VanDerWaalsContact C-N 3.28Å; D291-T293 PolarHBondContact O-N 3.21Å; T293-S296 PolarHBondContact O-N 3.21Å; T293-Q297 WeakPolarHBondContact O-CG 3.34Å; T293-Q297 PolarHBondContact O-N 3.27Å |
| 294 | H | 86.2 | Confident | 86 | Confident | 58 Ų | 58 | 70.4 Ų | 70.4 | 27% | 0.269 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 175.8 | -74.4 | 78.2 | 0 | 0 | 0 | 111.5 | A290 D291 Q297 F298 F319 V323 | A290-H294 PolarHBondContact O-N 3.45Å; A290-H294 PolarHBondContact O-ND1 3.47Å; D291-H294 PolarHBondContact O-N 2.92Å; D291-H294 VanDerWaalsContact O-N 3.14Å; H294-Q297 PolarHBondContact O-N 3.24Å; H294-F298 WeakPolarHBondContact O-CB 3.41Å; H294-F298 PolarHBondContact O-N 3.43Å; H294-F319 HydrophobicContact CB-CD2 4.25Å; H294-F319 HydrophobicContact CB-CE2 4.18Å; H294-V323 HydrophobicContact CB-CG2 4.16Å |
| 295 | F | 87.8 | Confident | 86.2 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 43% | 0.425 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 175.2 | -82.8 | -70.7 | 0 | 0 | 0 | 111.7 | D291 I292 F298 W299 F319 V323 | D291-F295 HydrophobicContact CB-CD2 4.43Å; D291-F295 HydrophobicContact CB-CE2 4.35Å; D291-F295 WeakPolarHBondContact O-CD2 3.49Å; D291-F295 PolarHBondContact O-N 2.85Å; I292-F295 PolarHBondContact O-N 3.45Å; F295-F298 PolarHBondContact O-N 2.83Å; F295-W299 VanDerWaalsContact O-CB 3.26Å; F295-W299 WeakPolarHBondContact O-CB 3.46Å; F295-W299 PolarHBondContact O-N 3.02Å; F295-F319 HydrophobicContact CD1-CE2 4.05Å; F295-F319 AromaticContact CD1-CZ 3.52Å; F295-F319 HydrophobicContact CD1-CZ 3.52Å; F295-F319 HydrophobicContact CE1-CE1 4.44Å; F295-F319 HydrophobicContact CE1-CE2 4.4Å; F295-F319 AromaticContact CE1-CZ 3.56Å; F295-F319 HydrophobicContact CE1-CZ 3.56Å; F295-F319 HydrophobicContact CG-CE2 4.32Å; F295-F319 HydrophobicContact CG-CZ 4.22Å; F295-F319 HydrophobicContact CZ-CZ 4.26Å; F295-V323 HydrophobicContact CE2-CG1 3.89Å; F295-V323 HydrophobicContact CZ-CG1 3.98Å |
| 296 | S | 83 | Confident | 86.2 | Confident | 34 Ų | 34 | 76.4 Ų | 76.4 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 177.2 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | I292 T293 F298 W299 H300 | I292-S296 PolarHBondContact O-N 3.35Å; T293-S296 PolarHBondContact O-N 3.21Å; S296-F298 PolarHBondContact O-N 3.07Å; S296-W299 WeakPolarHBondContact O-CB 3.2Å; S296-W299 PolarHBondContact O-N 3.42Å; S296-H300 PolarHBondContact O-CD2 2.95Å; S296-H300 PolarHBondContact O-N 3.39Å |
| 297 | Q | 84.3 | Confident | 86.4 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 178 | -72.2 | 173.9 | -9.8 | 0 | 0 | 112.5 | T293 H294 W299 H300 Y301 | T293-Q297 WeakPolarHBondContact O-CG 3.34Å; T293-Q297 PolarHBondContact O-N 3.27Å; H294-Q297 PolarHBondContact O-N 3.24Å; Q297-W299 VanDerWaalsContact C-N 3.35Å; Q297-H300 PolarHBondContact O-N 3.46Å; Q297-Y301 PolarHBondContact O-N 2.97Å; Q297-Y301 VanDerWaalsContact O-N 3.08Å |
| 298 | F | 89.6 | Confident | 86.2 | Confident | 29 Ų | 29 | 80.3 Ų | 80.3 | 13% | 0.127 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.1 | -36.9 | 178.4 | -172.2 | -116.4 | 0 | 0 | 0 | 111.9 | H294 F295 S296 H300 Y301 L302 T316 F319 | H294-F298 WeakPolarHBondContact O-CB 3.41Å; H294-F298 PolarHBondContact O-N 3.43Å; F295-F298 PolarHBondContact O-N 2.83Å; S296-F298 PolarHBondContact O-N 3.07Å; F298-H300 VanDerWaalsContact C-N 3.32Å; F298-H300 PolarHBondContact O-N 3.23Å; F298-Y301 AromaticContact CD2-CD1 3.79Å; F298-Y301 HydrophobicContact CD2-CD1 3.79Å; F298-Y301 AromaticContact CE2-CD1 3.56Å; F298-Y301 HydrophobicContact CE2-CD1 3.56Å; F298-Y301 AromaticContact CE2-CE1 3.88Å; F298-Y301 HydrophobicContact CE2-CE1 3.88Å; F298-Y301 HydrophobicContact CZ-CD1 4.48Å; F298-Y301 WeakPolarHBondContact O-CB 3.3Å; F298-Y301 PolarHBondContact O-N 3.32Å; F298-L302 HydrophobicContact CD1-CD1 3.9Å; F298-L302 HydrophobicContact CD1-CG 4.22Å; F298-L302 HydrophobicContact CE1-CD1 3.64Å; F298-L302 HydrophobicContact CE1-CD2 4.1Å; F298-L302 HydrophobicContact CE1-CG 3.92Å; F298-L302 HydrophobicContact CE2-CD2 4.44Å; F298-L302 HydrophobicContact CE2-CG 4.5Å; F298-L302 HydrophobicContact CZ-CD1 4.26Å; F298-L302 HydrophobicContact CZ-CD2 3.85Å; F298-L302 HydrophobicContact CZ-CG 4.05Å; F298-L302 WeakPolarHBondContact O-CG 3.08Å; F298-L302 PolarHBondContact O-N 3.48Å; F298-T316 HydrophobicContact CE2-CG2 4.46Å; F298-T316 HydrophobicContact CZ-CG2 3.91Å; F298-F319 HydrophobicContact CB-CB 4.34Å; F298-F319 HydrophobicContact CB-CD1 4.31Å; F298-F319 HydrophobicContact CB-CD2 3.42Å; F298-F319 VanDerWaalsContact CB-CD2 3.42Å; F298-F319 HydrophobicContact CB-CE2 3.69Å; F298-F319 HydrophobicContact CB-CG 3.75Å; F298-F319 HydrophobicContact CB-CZ 4.25Å; F298-F319 AromaticContact CD1-CD1 3.44Å; F298-F319 HydrophobicContact CD1-CD1 3.44Å; F298-F319 VanDerWaalsContact CD1-CD1 3.44Å; F298-F319 HydrophobicContact CD1-CD2 4.13Å; F298-F319 AromaticContact CD1-CE1 3.52Å; F298-F319 HydrophobicContact CD1-CE1 3.52Å; F298-F319 HydrophobicContact CD1-CE2 4.18Å; F298-F319 AromaticContact CD1-CG 3.76Å; F298-F319 HydrophobicContact CD1-CG 3.76Å; F298-F319 AromaticContact CD1-CZ 3.89Å; F298-F319 HydrophobicContact CD1-CZ 3.89Å; F298-F319 HydrophobicContact CD2-CB 3.66Å; F298-F319 HydrophobicContact CD2-CD1 4.08Å; F298-F319 HydrophobicContact CD2-CD2 4.3Å; F298-F319 AromaticContact CD2-CG 3.74Å; F298-F319 HydrophobicContact CD2-CG 3.74Å; F298-F319 AromaticContact CE1-CD1 3.66Å; F298-F319 HydrophobicContact CE1-CD1 3.66Å; F298-F319 AromaticContact CE1-CE1 3.89Å; F298-F319 HydrophobicContact CE1-CE1 3.89Å; F298-F319 HydrophobicContact CE1-CG 4.29Å; F298-F319 HydrophobicContact CE2-CB 4.08Å; F298-F319 HydrophobicContact CE2-CD1 4.29Å; F298-F319 HydrophobicContact CE2-CG 4.3Å; F298-F319 HydrophobicContact CG-CB 3.93Å; F298-F319 AromaticContact CG-CD1 3.67Å; F298-F319 HydrophobicContact CG-CD1 3.67Å; F298-F319 AromaticContact CG-CD2 3.7Å; F298-F319 HydrophobicContact CG-CD2 3.7Å; F298-F319 HydrophobicContact CG-CE1 4.09Å; F298-F319 HydrophobicContact CG-CE2 4.1Å; F298-F319 AromaticContact CG-CG 3.46Å; F298-F319 HydrophobicContact CG-CG 3.46Å; F298-F319 VanDerWaalsContact CG-CG 3.46Å; F298-F319 HydrophobicContact CG-CZ 4.28Å; F298-F319 HydrophobicContact CZ-CD1 4.1Å |
| 299 | W | 86.7 | Confident | 86 | Confident | 156 Ų | 156 | 78.7 Ų | 78.7 | 59% | 0.591 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.4 | -41.3 | 172.4 | 178.6 | -102.7 | 0 | 0 | 0 | 112.4 | F295 S296 Q297 L302 N303 | F295-W299 VanDerWaalsContact O-CB 3.26Å; F295-W299 WeakPolarHBondContact O-CB 3.46Å; F295-W299 PolarHBondContact O-N 3.02Å; S296-W299 WeakPolarHBondContact O-CB 3.2Å; S296-W299 PolarHBondContact O-N 3.42Å; Q297-W299 VanDerWaalsContact C-N 3.35Å; W299-L302 PolarHBondContact O-N 3.2Å; W299-N303 PolarHBondContact NE1-ND2 2.89Å; W299-N303 PolarHBondContact O-N 3.41Å; W299-N303 VanDerWaalsContact O-N 3.15Å; W299-N303 PolarHBondContact O-ND2 3.1Å |
| 300 | H | 84.4 | Confident | 85.8 | Confident | 111 Ų | 111 | 79.5 Ų | 79.5 | 51% | 0.514 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 173.2 | -78.8 | -66.3 | 0 | 0 | 0 | 112 | S296 Q297 F298 L302 N303 E304 | S296-H300 PolarHBondContact O-CD2 2.95Å; S296-H300 PolarHBondContact O-N 3.39Å; Q297-H300 PolarHBondContact O-N 3.46Å; F298-H300 VanDerWaalsContact C-N 3.32Å; F298-H300 PolarHBondContact O-N 3.23Å; H300-L302 VanDerWaalsContact C-N 3.32Å; H300-L302 PolarHBondContact O-N 3.5Å; H300-N303 PolarHBondContact O-N 3.32Å; H300-N303 VanDerWaalsContact O-N 3.16Å; H300-E304 PolarHBondContact O-N 2.85Å |
| 301 | Y | 88.6 | Confident | 85.4 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 13% | 0.133 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -55.5 | -45.9 | 175.8 | 165.4 | -105.4 | 0 | 0 | 0 | 112.3 | Q297 F298 N303 E304 Q305 P309 D313 I315 | Q297-Y301 PolarHBondContact O-N 2.97Å; Q297-Y301 VanDerWaalsContact O-N 3.08Å; F298-Y301 AromaticContact CD2-CD1 3.79Å; F298-Y301 HydrophobicContact CD2-CD1 3.79Å; F298-Y301 AromaticContact CE2-CD1 3.56Å; F298-Y301 HydrophobicContact CE2-CD1 3.56Å; F298-Y301 AromaticContact CE2-CE1 3.88Å; F298-Y301 HydrophobicContact CE2-CE1 3.88Å; F298-Y301 HydrophobicContact CZ-CD1 4.48Å; F298-Y301 WeakPolarHBondContact O-CB 3.3Å; F298-Y301 PolarHBondContact O-N 3.32Å; Y301-N303 VanDerWaalsContact C-N 3.32Å; Y301-N303 PolarHBondContact O-N 3.21Å; Y301-E304 PolarHBondContact O-N 3.04Å; Y301-E304 VanDerWaalsContact O-N 3.15Å; Y301-Q305 HydrophobicContact CE1-CG 4.43Å; Y301-Q305 HydrophobicContact CE2-CG 4.14Å; Y301-Q305 WeakPolarHBondContact O-CG 3.46Å; Y301-Q305 PolarHBondContact O-NE2 2.98Å; Y301-P309 HydrophobicContact CE1-CB 4.34Å; Y301-P309 HydrophobicContact CE1-CG 3.71Å; Y301-D313 PolarHBondContact OH-OD1 2.97Å; Y301-D313 PolarHBondContact OH-OD2 3.05Å; Y301-D313 VanDerWaalsContact OH-OD2 3.09Å; Y301-I315 HydrophobicContact CD1-CG2 3.76Å; Y301-I315 HydrophobicContact CD2-CD1 3.96Å; Y301-I315 HydrophobicContact CD2-CG2 4.07Å; Y301-I315 HydrophobicContact CE1-CB 4.07Å; Y301-I315 HydrophobicContact CE1-CG2 3.77Å; Y301-I315 HydrophobicContact CE2-CB 4.26Å; Y301-I315 HydrophobicContact CE2-CD1 3.43Å; Y301-I315 VanDerWaalsContact CE2-CD1 3.43Å; Y301-I315 HydrophobicContact CE2-CG1 4.43Å; Y301-I315 HydrophobicContact CE2-CG2 4.11Å; Y301-I315 HydrophobicContact CG-CG2 3.9Å |
| 302 | L | 87.8 | Confident | 84.8 | Confident | 58 Ų | 58 | 85.2 Ų | 85.2 | 30% | 0.304 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 178.4 | -72 | 176.7 | 0 | 0 | 0 | 112.9 | F298 W299 H300 E304 Q305 P309 | F298-L302 HydrophobicContact CD1-CD1 3.9Å; F298-L302 HydrophobicContact CD1-CG 4.22Å; F298-L302 HydrophobicContact CE1-CD1 3.64Å; F298-L302 HydrophobicContact CE1-CD2 4.1Å; F298-L302 HydrophobicContact CE1-CG 3.92Å; F298-L302 HydrophobicContact CE2-CD2 4.44Å; F298-L302 HydrophobicContact CE2-CG 4.5Å; F298-L302 HydrophobicContact CZ-CD1 4.26Å; F298-L302 HydrophobicContact CZ-CD2 3.85Å; F298-L302 HydrophobicContact CZ-CG 4.05Å; F298-L302 WeakPolarHBondContact O-CG 3.08Å; F298-L302 PolarHBondContact O-N 3.48Å; W299-L302 PolarHBondContact O-N 3.2Å; H300-L302 VanDerWaalsContact C-N 3.32Å; H300-L302 PolarHBondContact O-N 3.5Å; L302-E304 VanDerWaalsContact C-N 3.26Å; L302-E304 PolarHBondContact O-N 3.48Å; L302-Q305 PolarHBondContact O-N 2.79Å; L302-P309 HydrophobicContact CD2-CG 3.56Å |
| 303 | N | 86.9 | Confident | 84.8 | Confident | 101 Ų | 101 | 85 Ų | 85 | 54% | 0.54 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -74.4 | -15.3 | 178.7 | -74.3 | -58.3 | 0 | 0 | 0 | 113.7 | W299 H300 Y301 | W299-N303 PolarHBondContact NE1-ND2 2.89Å; W299-N303 PolarHBondContact O-N 3.41Å; W299-N303 VanDerWaalsContact O-N 3.15Å; W299-N303 PolarHBondContact O-ND2 3.1Å; H300-N303 PolarHBondContact O-N 3.32Å; H300-N303 VanDerWaalsContact O-N 3.16Å; Y301-N303 VanDerWaalsContact C-N 3.32Å; Y301-N303 PolarHBondContact O-N 3.21Å |
| 304 | E | 88.9 | Confident | 84.9 | Confident | 152 Ų | 152 | 88.1 Ų | 88.1 | 71% | 0.71 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -10.1 | 175 | -69.7 | -178.3 | 171.6 | 0 | 0 | 113.1 | H300 Y301 L302 | H300-E304 PolarHBondContact O-N 2.85Å; Y301-E304 PolarHBondContact O-N 3.04Å; Y301-E304 VanDerWaalsContact O-N 3.15Å; L302-E304 VanDerWaalsContact C-N 3.26Å; L302-E304 PolarHBondContact O-N 3.48Å |
| 305 | Q | 86.8 | Confident | 85 | Confident | 77 Ų | 77 | 89.3 Ų | 89.3 | 36% | 0.36 | 47% | 0.471 | S | S | . | . | trans | -89.1 | 137.8 | 179 | -54 | -47 | -62.3 | 0 | 0 | 111.7 | Y301 L302 E307 P309 | Y301-Q305 HydrophobicContact CE1-CG 4.43Å; Y301-Q305 HydrophobicContact CE2-CG 4.14Å; Y301-Q305 WeakPolarHBondContact O-CG 3.46Å; Y301-Q305 PolarHBondContact O-NE2 2.98Å; L302-Q305 PolarHBondContact O-N 2.79Å; Q305-E307 VanDerWaalsContact C-N 3.28Å; Q305-E307 WeakPolarHBondContact CB-O 3.1Å; Q305-E307 PolarHBondContact O-N 3.47Å; Q305-P309 HydrophobicContact CG-CG 4.46Å | ||
| 306 | D | 84.6 | Confident | 85 | Confident | 176 Ų | 176 | 85.2 Ų | 85.2 | 94% | 0.941 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -69.3 | -27.7 | 172.6 | -70.4 | -41.5 | 0 | 0 | 0 | 112.2 | ||
| 307 | E | 85.6 | Confident | 85.3 | Confident | 169 Ų | 169 | 84.7 Ų | 84.7 | 79% | 0.79 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -133 | 148.1 | 177.9 | -66.5 | -175.3 | 176.8 | 0 | 0 | 110.4 | Q305 P309 | Q305-E307 VanDerWaalsContact C-N 3.28Å; Q305-E307 WeakPolarHBondContact CB-O 3.1Å; Q305-E307 PolarHBondContact O-N 3.47Å; E307-P309 WeakPolarHBondContact O-CD 3.46Å |
| 308 | A | 81.9 | Confident | 85.4 | Confident | 97 Ų | 97 | 83.2 Ų | 83.2 | 80% | 0.802 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 121 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 309 | P | 84 | Confident | 85.5 | Confident | 33 Ų | 33 | 83 Ų | 83 | 21% | 0.214 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -65 | 143 | 179.5 | 25.6 | -31.6 | 0 | 0 | 0 | 110.6 | Y301 L302 Q305 E307 D313 | Y301-P309 HydrophobicContact CE1-CB 4.34Å; Y301-P309 HydrophobicContact CE1-CG 3.71Å; L302-P309 HydrophobicContact CD2-CG 3.56Å; Q305-P309 HydrophobicContact CG-CG 4.46Å; E307-P309 WeakPolarHBondContact O-CD 3.46Å; P309-D313 HydrophobicContact CB-CB 3.86Å |
| 310 | G | 80.5 | Confident | 85.6 | Confident | 43 Ų | 43 | 76.1 Ų | 76.1 | 44% | 0.443 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 171.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A312 D313 | G310-A312 PolarHBondContact O-N 3.01Å; G310-A312 VanDerWaalsContact O-N 3.09Å; G310-D313 WeakPolarHBondContact O-CB 3.48Å; G310-D313 PolarHBondContact O-N 2.85Å |
| 311 | F | 77.3 | Confident | 85.8 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 34% | 0.342 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.4 | 176.9 | -72.2 | -88 | 0 | 0 | 0 | 114.9 | D313 I320 L336 M339 | F311-D313 VanDerWaalsContact C-N 3.32Å; F311-I320 HydrophobicContact CD1-CD1 3.72Å; F311-I320 HydrophobicContact CE1-CD1 3.88Å; F311-L336 HydrophobicContact CD1-CD2 4.32Å; F311-L336 HydrophobicContact CE1-CD2 3.72Å; F311-M339 HydrophobicContact CB-CB 4.24Å; F311-M339 HydrophobicContact CD1-CE 4.18Å; F311-M339 HydrophobicContact CD1-SD 4.49Å; F311-M339 HydrophobicContact CD2-CE 3.43Å; F311-M339 VanDerWaalsContact CD2-CE 3.43Å; F311-M339 HydrophobicContact CE1-CE 4.11Å; F311-M339 HydrophobicContact CE1-SD 4.38Å; F311-M339 HydrophobicContact CE2-CE 3.34Å; F311-M339 HydrophobicContact CG-CB 4.3Å; F311-M339 HydrophobicContact CG-CE 3.86Å; F311-M339 HydrophobicContact CZ-CE 3.7Å; F311-M339 HydrophobicContact CZ-SD 4.4Å |
| 312 | A | 76.6 | Confident | 85.7 | Confident | 73 Ų | 73 | 74.8 Ų | 74.8 | 60% | 0.603 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -9.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G310 | G310-A312 PolarHBondContact O-N 3.01Å; G310-A312 VanDerWaalsContact O-N 3.09Å |
| 313 | D | 85.9 | Confident | 85.8 | Confident | 44 Ų | 44 | 72 Ų | 72 | 24% | 0.235 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -66.4 | 131.2 | 172.6 | 170.4 | 68 | 0 | 0 | 0 | 110.2 | Y301 P309 G310 F311 I315 T316 W317 | Y301-D313 PolarHBondContact OH-OD1 2.97Å; Y301-D313 PolarHBondContact OH-OD2 3.05Å; Y301-D313 VanDerWaalsContact OH-OD2 3.09Å; P309-D313 HydrophobicContact CB-CB 3.86Å; G310-D313 WeakPolarHBondContact O-CB 3.48Å; G310-D313 PolarHBondContact O-N 2.85Å; F311-D313 VanDerWaalsContact C-N 3.32Å; D313-I315 VanDerWaalsContact C-N 3.33Å; D313-I315 PolarHBondContact O-N 3.39Å; D313-I315 WeakPolarHBondContact OD2-CB 3.34Å; D313-I315 PolarHBondContact OD2-N 3.16Å; D313-T316 PolarHBondContact O-N 3.43Å; D313-T316 WeakPolarHBondContact OD2-CB 3.29Å; D313-T316 PolarHBondContact OD2-N 3.38Å; D313-T316 PolarHBondContact OD2-OG1 3.04Å; D313-W317 PolarHBondContact O-N 3.49Å |
| 314 | D | 86 | Confident | 85.8 | Confident | 110 Ų | 110 | 69.2 Ų | 69.2 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.3 | -37 | -173.5 | -76 | -35.1 | 0 | 0 | 0 | 111.6 | W317 D318 | D314-W317 PolarHBondContact O-N 3.4Å; D314-D318 VanDerWaalsContact O-CB 3.31Å; D314-D318 WeakPolarHBondContact O-CB 3.31Å; D314-D318 VanDerWaalsContact O-CG 3.27Å; D314-D318 PolarHBondContact O-N 3.04Å |
| 315 | I | 87.9 | Confident | 85.6 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 43% | 0.431 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 178.6 | -63.7 | 171.8 | 0 | 0 | 0 | 110.3 | Y301 D313 D318 F319 | Y301-I315 HydrophobicContact CD1-CG2 3.76Å; Y301-I315 HydrophobicContact CD2-CD1 3.96Å; Y301-I315 HydrophobicContact CD2-CG2 4.07Å; Y301-I315 HydrophobicContact CE1-CB 4.07Å; Y301-I315 HydrophobicContact CE1-CG2 3.77Å; Y301-I315 HydrophobicContact CE2-CB 4.26Å; Y301-I315 HydrophobicContact CE2-CD1 3.43Å; Y301-I315 VanDerWaalsContact CE2-CD1 3.43Å; Y301-I315 HydrophobicContact CE2-CG1 4.43Å; Y301-I315 HydrophobicContact CE2-CG2 4.11Å; Y301-I315 HydrophobicContact CG-CG2 3.9Å; D313-I315 VanDerWaalsContact C-N 3.33Å; D313-I315 PolarHBondContact O-N 3.39Å; D313-I315 WeakPolarHBondContact OD2-CB 3.34Å; D313-I315 PolarHBondContact OD2-N 3.16Å; I315-D318 PolarHBondContact O-N 3.15Å; I315-F319 WeakPolarHBondContact O-CB 3.49Å; I315-F319 PolarHBondContact O-N 3.38Å |
| 316 | T | 88 | Confident | 85.7 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.5 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | F298 D313 F319 I320 | F298-T316 HydrophobicContact CE2-CG2 4.46Å; F298-T316 HydrophobicContact CZ-CG2 3.91Å; D313-T316 PolarHBondContact O-N 3.43Å; D313-T316 WeakPolarHBondContact OD2-CB 3.29Å; D313-T316 PolarHBondContact OD2-N 3.38Å; D313-T316 PolarHBondContact OD2-OG1 3.04Å; T316-F319 PolarHBondContact O-N 3.14Å; T316-I320 HydrophobicContact CG2-CD1 4.09Å; T316-I320 VanDerWaalsContact O-CG1 3.29Å; T316-I320 WeakPolarHBondContact O-CG1 3.36Å; T316-I320 PolarHBondContact O-N 3.27Å |
| 317 | W | 88.6 | Confident | 85.8 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 175.9 | 177.9 | -94.5 | 0 | 0 | 0 | 112.6 | D313 D314 F319 I320 S321 Y333 L336 K337 K340 | D313-W317 PolarHBondContact O-N 3.49Å; D314-W317 PolarHBondContact O-N 3.4Å; W317-F319 VanDerWaalsContact C-N 3.3Å; W317-F319 PolarHBondContact O-N 3.01Å; W317-I320 HydrophobicContact CE3-CB 4.49Å; W317-I320 HydrophobicContact CE3-CG2 4.27Å; W317-I320 HydrophobicContact CZ3-CG2 3.97Å; W317-I320 PolarHBondContact O-N 3.44Å; W317-S321 WeakPolarHBondContact O-CB 3.26Å; W317-S321 PolarHBondContact O-N 3.47Å; W317-S321 PolarHBondContact O-OG 3.5Å; W317-Y333 AromaticContact CH2-CE2 3.99Å; W317-Y333 HydrophobicContact CH2-CE2 3.99Å; W317-Y333 HydrophobicContact CZ2-CE2 4.28Å; W317-L336 HydrophobicContact CZ3-CB 4.43Å; W317-L336 WeakPolarHBondContact CZ3-O 3.22Å; W317-K337 VanDerWaalsContact CH2-CA 3.42Å; W317-K337 HydrophobicContact CH2-CB 3.72Å; W317-K337 HydrophobicContact CH2-CG 3.93Å; W317-K337 HydrophobicContact CZ2-CG 4.26Å; W317-K337 HydrophobicContact CZ3-CB 4.45Å; W317-K340 HydrophobicContact CB-CD 4.43Å; W317-K340 HydrophobicContact CD2-CB 4.22Å; W317-K340 HydrophobicContact CD2-CD 3.49Å; W317-K340 VanDerWaalsContact CD2-CD 3.49Å; W317-K340 HydrophobicContact CD2-CG 4Å; W317-K340 HydrophobicContact CE3-CB 3.89Å; W317-K340 HydrophobicContact CE3-CD 4.08Å; W317-K340 HydrophobicContact CE3-CG 4.13Å; W317-K340 HydrophobicContact CG-CD 3.61Å; W317-K340 VanDerWaalsContact CG-CE 3.46Å; W317-K340 HydrophobicContact CG-CG 4.21Å; W317-K340 HydrophobicContact CZ2-CD 4.33Å; W317-K340 HydrophobicContact CZ3-CB 4.15Å |
| 318 | D | 88.1 | Confident | 85.7 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.8 | -79.5 | -3.5 | 0 | 0 | 0 | 110.5 | D314 I315 S321 N322 | D314-D318 VanDerWaalsContact O-CB 3.31Å; D314-D318 WeakPolarHBondContact O-CB 3.31Å; D314-D318 VanDerWaalsContact O-CG 3.27Å; D314-D318 PolarHBondContact O-N 3.04Å; I315-D318 PolarHBondContact O-N 3.15Å; D318-S321 PolarHBondContact O-N 3.04Å; D318-S321 PolarHBondContact O-OG 3.15Å; D318-N322 WeakPolarHBondContact O-CB 3.27Å; D318-N322 PolarHBondContact O-N 2.86Å; D318-N322 PolarHBondContact O-ND2 3.42Å |
| 319 | F | 90.7 | Very high | 85.8 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 11% | 0.114 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.2 | -54.9 | 171.1 | 166.1 | -105.3 | 0 | 0 | 0 | 111.8 | H294 F295 F298 I315 T316 W317 S321 N322 V323 | H294-F319 HydrophobicContact CB-CD2 4.25Å; H294-F319 HydrophobicContact CB-CE2 4.18Å; F295-F319 HydrophobicContact CD1-CE2 4.05Å; F295-F319 AromaticContact CD1-CZ 3.52Å; F295-F319 HydrophobicContact CD1-CZ 3.52Å; F295-F319 HydrophobicContact CE1-CE1 4.44Å; F295-F319 HydrophobicContact CE1-CE2 4.4Å; F295-F319 AromaticContact CE1-CZ 3.56Å; F295-F319 HydrophobicContact CE1-CZ 3.56Å; F295-F319 HydrophobicContact CG-CE2 4.32Å; F295-F319 HydrophobicContact CG-CZ 4.22Å; F295-F319 HydrophobicContact CZ-CZ 4.26Å; F298-F319 HydrophobicContact CB-CB 4.34Å; F298-F319 HydrophobicContact CB-CD1 4.31Å; F298-F319 HydrophobicContact CB-CD2 3.42Å; F298-F319 VanDerWaalsContact CB-CD2 3.42Å; F298-F319 HydrophobicContact CB-CE2 3.69Å; F298-F319 HydrophobicContact CB-CG 3.75Å; F298-F319 HydrophobicContact CB-CZ 4.25Å; F298-F319 AromaticContact CD1-CD1 3.44Å; F298-F319 HydrophobicContact CD1-CD1 3.44Å; F298-F319 VanDerWaalsContact CD1-CD1 3.44Å; F298-F319 HydrophobicContact CD1-CD2 4.13Å; F298-F319 AromaticContact CD1-CE1 3.52Å; F298-F319 HydrophobicContact CD1-CE1 3.52Å; F298-F319 HydrophobicContact CD1-CE2 4.18Å; F298-F319 AromaticContact CD1-CG 3.76Å; F298-F319 HydrophobicContact CD1-CG 3.76Å; F298-F319 AromaticContact CD1-CZ 3.89Å; F298-F319 HydrophobicContact CD1-CZ 3.89Å; F298-F319 HydrophobicContact CD2-CB 3.66Å; F298-F319 HydrophobicContact CD2-CD1 4.08Å; F298-F319 HydrophobicContact CD2-CD2 4.3Å; F298-F319 AromaticContact CD2-CG 3.74Å; F298-F319 HydrophobicContact CD2-CG 3.74Å; F298-F319 AromaticContact CE1-CD1 3.66Å; F298-F319 HydrophobicContact CE1-CD1 3.66Å; F298-F319 AromaticContact CE1-CE1 3.89Å; F298-F319 HydrophobicContact CE1-CE1 3.89Å; F298-F319 HydrophobicContact CE1-CG 4.29Å; F298-F319 HydrophobicContact CE2-CB 4.08Å; F298-F319 HydrophobicContact CE2-CD1 4.29Å; F298-F319 HydrophobicContact CE2-CG 4.3Å; F298-F319 HydrophobicContact CG-CB 3.93Å; F298-F319 AromaticContact CG-CD1 3.67Å; F298-F319 HydrophobicContact CG-CD1 3.67Å; F298-F319 AromaticContact CG-CD2 3.7Å; F298-F319 HydrophobicContact CG-CD2 3.7Å; F298-F319 HydrophobicContact CG-CE1 4.09Å; F298-F319 HydrophobicContact CG-CE2 4.1Å; F298-F319 AromaticContact CG-CG 3.46Å; F298-F319 HydrophobicContact CG-CG 3.46Å; F298-F319 VanDerWaalsContact CG-CG 3.46Å; F298-F319 HydrophobicContact CG-CZ 4.28Å; F298-F319 HydrophobicContact CZ-CD1 4.1Å; I315-F319 WeakPolarHBondContact O-CB 3.49Å; I315-F319 PolarHBondContact O-N 3.38Å; T316-F319 PolarHBondContact O-N 3.14Å; W317-F319 VanDerWaalsContact C-N 3.3Å; W317-F319 PolarHBondContact O-N 3.01Å; F319-S321 VanDerWaalsContact C-N 3.27Å; F319-S321 PolarHBondContact O-N 3.16Å; F319-N322 PolarHBondContact O-N 3.45Å; F319-N322 VanDerWaalsContact O-N 3.12Å; F319-V323 HydrophobicContact CD2-CG2 3.79Å; F319-V323 HydrophobicContact CE1-CG2 4.4Å; F319-V323 HydrophobicContact CE2-CG2 3.37Å; F319-V323 HydrophobicContact CG-CG2 4.47Å; F319-V323 HydrophobicContact CZ-CG2 3.71Å; F319-V323 WeakPolarHBondContact O-CG2 3.22Å; F319-V323 PolarHBondContact O-N 3.03Å |
| 320 | I | 88.4 | Confident | 85.6 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.2 | -42.1 | -178.9 | -73.2 | 167.9 | 0 | 0 | 0 | 112 | F311 T316 W317 N322 I326 L336 | F311-I320 HydrophobicContact CD1-CD1 3.72Å; F311-I320 HydrophobicContact CE1-CD1 3.88Å; T316-I320 HydrophobicContact CG2-CD1 4.09Å; T316-I320 VanDerWaalsContact O-CG1 3.29Å; T316-I320 WeakPolarHBondContact O-CG1 3.36Å; T316-I320 PolarHBondContact O-N 3.27Å; W317-I320 HydrophobicContact CE3-CB 4.49Å; W317-I320 HydrophobicContact CE3-CG2 4.27Å; W317-I320 HydrophobicContact CZ3-CG2 3.97Å; W317-I320 PolarHBondContact O-N 3.44Å; I320-N322 VanDerWaalsContact C-N 3.29Å; I320-N322 PolarHBondContact O-N 3.29Å; I320-I326 HydrophobicContact CG1-CD1 4.49Å; I320-I326 HydrophobicContact CG2-CG2 4.15Å; I320-L336 HydrophobicContact CG2-CB 4.15Å; I320-L336 HydrophobicContact CG2-CD1 3.83Å |
| 321 | S | 88.1 | Confident | 85.2 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -78.4 | -8.9 | -176.7 | 61.9 | 0 | 0 | 0 | 0 | 114.6 | W317 D318 F319 T327 | W317-S321 WeakPolarHBondContact O-CB 3.26Å; W317-S321 PolarHBondContact O-N 3.47Å; W317-S321 PolarHBondContact O-OG 3.5Å; D318-S321 PolarHBondContact O-N 3.04Å; D318-S321 PolarHBondContact O-OG 3.15Å; F319-S321 VanDerWaalsContact C-N 3.27Å; F319-S321 PolarHBondContact O-N 3.16Å; S321-T327 VanDerWaalsContact O-CG2 3.28Å; S321-T327 WeakPolarHBondContact O-CG2 3.43Å |
| 322 | N | 87.9 | Confident | 85.3 | Confident | 90 Ų | 90 | 58.3 Ų | 58.3 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -110.9 | -7 | 178 | -72.7 | -65.3 | 0 | 0 | 0 | 114.3 | D318 F319 I320 | D318-N322 WeakPolarHBondContact O-CB 3.27Å; D318-N322 PolarHBondContact O-N 2.86Å; D318-N322 PolarHBondContact O-ND2 3.42Å; F319-N322 PolarHBondContact O-N 3.45Å; F319-N322 VanDerWaalsContact O-N 3.12Å; I320-N322 VanDerWaalsContact C-N 3.29Å; I320-N322 PolarHBondContact O-N 3.29Å |
| 323 | V | 89.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -83 | 120.2 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | H294 F295 F319 S325 I326 T327 | H294-V323 HydrophobicContact CB-CG2 4.16Å; F295-V323 HydrophobicContact CE2-CG1 3.89Å; F295-V323 HydrophobicContact CZ-CG1 3.98Å; F319-V323 HydrophobicContact CD2-CG2 3.79Å; F319-V323 HydrophobicContact CE1-CG2 4.4Å; F319-V323 HydrophobicContact CE2-CG2 3.37Å; F319-V323 HydrophobicContact CG-CG2 4.47Å; F319-V323 HydrophobicContact CZ-CG2 3.71Å; F319-V323 WeakPolarHBondContact O-CG2 3.22Å; F319-V323 PolarHBondContact O-N 3.03Å; V323-S325 WeakPolarHBondContact CG1-OG 3.46Å; V323-S325 PolarHBondContact O-N 3.27Å; V323-I326 HydrophobicContact CB-CB 4.34Å; V323-I326 HydrophobicContact CB-CD1 3.99Å; V323-I326 HydrophobicContact CB-CG1 4.14Å; V323-I326 HydrophobicContact CG1-CB 4.29Å; V323-I326 HydrophobicContact CG1-CD1 4.02Å; V323-I326 HydrophobicContact CG1-CG1 3.82Å; V323-I326 PolarHBondContact O-N 2.89Å; V323-T327 WeakPolarHBondContact O-CG2 3.32Å; V323-T327 PolarHBondContact O-N 3.45Å; V323-T327 PolarHBondContact O-OG1 3.42Å | ||
| 324 | N | 87.1 | Confident | 85.6 | Confident | 42 Ų | 42 | 59.7 Ų | 59.7 | 23% | 0.225 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | -176.8 | -71 | -86.1 | 0 | 0 | 0 | 112.3 | W287 D291 I326 T327 R328 | W287-N324 HydrophobicContact CB-CB 4.32Å; W287-N324 HydrophobicContact CE3-CB 4.05Å; D291-N324 VanDerWaalsContact OD1-CB 3.27Å; D291-N324 WeakPolarHBondContact OD1-CB 3.36Å; D291-N324 PolarHBondContact OD1-N 2.88Å; D291-N324 PolarHBondContact OD1-ND2 2.93Å; D291-N324 PolarHBondContact OD2-N 3.38Å; N324-I326 PolarHBondContact O-N 3.29Å; N324-T327 WeakPolarHBondContact CA-OG1 3.22Å; N324-T327 PolarHBondContact O-N 2.91Å; N324-T327 PolarHBondContact O-OG1 3.23Å; N324-R328 WeakPolarHBondContact O-CB 3.49Å; N324-R328 WeakPolarHBondContact O-CG 3.43Å; N324-R328 PolarHBondContact O-N 2.91Å |
| 325 | S | 84.7 | Confident | 85.1 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -24.4 | 177.6 | 47.3 | 0 | 0 | 0 | 0 | 113.3 | D291 V323 | D291-S325 VanDerWaalsContact OD2-CB 3.31Å; D291-S325 WeakPolarHBondContact OD2-CB 3.26Å; D291-S325 PolarHBondContact OD2-N 3.26Å; D291-S325 PolarHBondContact OD2-OG 3.42Å; V323-S325 WeakPolarHBondContact CG1-OG 3.46Å; V323-S325 PolarHBondContact O-N 3.27Å |
| 326 | I | 87.6 | Confident | 84.8 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -86.1 | -57.4 | 172.2 | -62.1 | 176.9 | 0 | 0 | 0 | 110.3 | I320 V323 N324 R328 N329 L332 Y333 L336 | I320-I326 HydrophobicContact CG1-CD1 4.49Å; I320-I326 HydrophobicContact CG2-CG2 4.15Å; V323-I326 HydrophobicContact CB-CB 4.34Å; V323-I326 HydrophobicContact CB-CD1 3.99Å; V323-I326 HydrophobicContact CB-CG1 4.14Å; V323-I326 HydrophobicContact CG1-CB 4.29Å; V323-I326 HydrophobicContact CG1-CD1 4.02Å; V323-I326 HydrophobicContact CG1-CG1 3.82Å; V323-I326 PolarHBondContact O-N 2.89Å; N324-I326 PolarHBondContact O-N 3.29Å; I326-R328 VanDerWaalsContact C-N 3.28Å; I326-R328 PolarHBondContact O-N 3.42Å; I326-N329 PolarHBondContact O-N 2.82Å; I326-L332 HydrophobicContact CG2-CD2 4.34Å; I326-L332 HydrophobicContact CG2-CG 4.48Å; I326-Y333 HydrophobicContact CG2-CD2 4.21Å; I326-L336 HydrophobicContact CG2-CD1 3.5Å; I326-L336 VanDerWaalsContact CG2-CD1 3.5Å |
| 327 | T | 86.5 | Confident | 84.5 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.1 | -25.7 | -170.8 | 53 | 0 | 0 | 0 | 0 | 114.1 | S321 V323 N324 N329 Y333 | S321-T327 VanDerWaalsContact O-CG2 3.28Å; S321-T327 WeakPolarHBondContact O-CG2 3.43Å; V323-T327 WeakPolarHBondContact O-CG2 3.32Å; V323-T327 PolarHBondContact O-N 3.45Å; V323-T327 PolarHBondContact O-OG1 3.42Å; N324-T327 WeakPolarHBondContact CA-OG1 3.22Å; N324-T327 PolarHBondContact O-N 2.91Å; N324-T327 PolarHBondContact O-OG1 3.23Å; T327-N329 VanDerWaalsContact C-N 3.28Å; T327-N329 PolarHBondContact O-N 2.81Å; T327-Y333 HydrophobicContact CG2-CD2 4.05Å; T327-Y333 HydrophobicContact CG2-CE2 3.89Å |
| 328 | R | 85 | Confident | 83.9 | Confident | 166 Ų | 166 | 55.8 Ų | 55.8 | 63% | 0.626 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -14.6 | 174.6 | -68.7 | -179.7 | 179.2 | -164.8 | 0.9 | 113.4 | N324 I326 | N324-R328 WeakPolarHBondContact O-CB 3.49Å; N324-R328 WeakPolarHBondContact O-CG 3.43Å; N324-R328 PolarHBondContact O-N 2.91Å; I326-R328 VanDerWaalsContact C-N 3.28Å; I326-R328 PolarHBondContact O-N 3.42Å |
| 329 | N | 83.7 | Confident | 83.1 | Confident | 75 Ų | 75 | 52 Ų | 52 | 40% | 0.401 | 27% | 0.273 | S | S | . | . | trans | -95.9 | 88.7 | 171.4 | -175 | -24.3 | 0 | 0 | 0 | 108.8 | I326 T327 M331 L332 Y333 | I326-N329 PolarHBondContact O-N 2.82Å; T327-N329 VanDerWaalsContact C-N 3.28Å; T327-N329 PolarHBondContact O-N 2.81Å; N329-M331 PolarHBondContact O-N 3.33Å; N329-M331 VanDerWaalsContact O-N 3.14Å; N329-L332 HydrophobicContact CB-CB 3.89Å; N329-L332 HydrophobicContact CB-CD2 4.45Å; N329-L332 VanDerWaalsContact CG-CB 3.49Å; N329-L332 PolarHBondContact O-N 3.34Å; N329-L332 VanDerWaalsContact O-N 3.08Å; N329-L332 PolarHBondContact OD1-N 2.97Å; N329-L332 VanDerWaalsContact OD1-N 3.12Å; N329-Y333 WeakPolarHBondContact O-CB 3.38Å; N329-Y333 PolarHBondContact O-N 3.34Å | ||
| 330 | A | 78.9 | Confident | 82.3 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -51.5 | -41.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y333 D334 | A330-Y333 PolarHBondContact O-N 2.86Å; A330-D334 VanDerWaalsContact O-CB 3.32Å; A330-D334 WeakPolarHBondContact O-CB 3.04Å; A330-D334 PolarHBondContact O-N 3.08Å |
| 331 | M | 73.7 | Confident | 81.3 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 51% | 0.507 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.1 | -48.2 | 179 | 172.3 | -156.2 | -89.6 | 0 | 0 | 112.6 | N329 Y333 A335 I354 | N329-M331 PolarHBondContact O-N 3.33Å; N329-M331 VanDerWaalsContact O-N 3.14Å; M331-Y333 VanDerWaalsContact C-N 3.34Å; M331-A335 PolarHBondContact O-N 3.19Å; M331-A335 VanDerWaalsContact O-N 3.12Å; M331-I354 HydrophobicContact CE-CD1 3.6Å; M331-I354 HydrophobicContact CE-CG1 3.55Å; M331-I354 HydrophobicContact CG-CD1 3.13Å; M331-I354 HydrophobicContact CG-CG1 4.05Å; M331-I354 HydrophobicContact SD-CB 4.17Å; M331-I354 HydrophobicContact SD-CD1 3.1Å; M331-I354 WeakPolarHBondContact SD-CD1 3.4Å; M331-I354 HydrophobicContact SD-CG1 3.28Å; M331-I354 WeakPolarHBondContact SD-CG1 3.01Å; M331-I354 HydrophobicContact SD-CG2 3.77Å |
| 332 | L | 79.2 | Confident | 80.1 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 32% | 0.319 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.6 | 174.7 | 63.4 | 0 | 0 | 0 | 110.9 | I326 N329 A335 L336 | I326-L332 HydrophobicContact CG2-CD2 4.34Å; I326-L332 HydrophobicContact CG2-CG 4.48Å; N329-L332 HydrophobicContact CB-CB 3.89Å; N329-L332 HydrophobicContact CB-CD2 4.45Å; N329-L332 VanDerWaalsContact CG-CB 3.49Å; N329-L332 PolarHBondContact O-N 3.34Å; N329-L332 VanDerWaalsContact O-N 3.08Å; N329-L332 PolarHBondContact OD1-N 2.97Å; N329-L332 VanDerWaalsContact OD1-N 3.12Å; L332-A335 PolarHBondContact O-N 3.48Å; L332-L336 HydrophobicContact CD1-CD1 4.05Å; L332-L336 HydrophobicContact CD1-CG 4.27Å; L332-L336 HydrophobicContact CG-CD1 3.96Å; L332-L336 WeakPolarHBondContact O-CG 3.48Å; L332-L336 PolarHBondContact O-N 2.91Å |
| 333 | Y | 85.3 | Confident | 78.6 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 22% | 0.22 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | -178.1 | -173.4 | -123.6 | 0 | 0 | 0 | 112.1 | W317 I326 T327 N329 A330 M331 L336 K337 | W317-Y333 AromaticContact CH2-CE2 3.99Å; W317-Y333 HydrophobicContact CH2-CE2 3.99Å; W317-Y333 HydrophobicContact CZ2-CE2 4.28Å; I326-Y333 HydrophobicContact CG2-CD2 4.21Å; T327-Y333 HydrophobicContact CG2-CD2 4.05Å; T327-Y333 HydrophobicContact CG2-CE2 3.89Å; N329-Y333 WeakPolarHBondContact O-CB 3.38Å; N329-Y333 PolarHBondContact O-N 3.34Å; A330-Y333 PolarHBondContact O-N 2.86Å; M331-Y333 VanDerWaalsContact C-N 3.34Å; Y333-L336 PolarHBondContact O-N 2.77Å; Y333-K337 VanDerWaalsContact O-CB 3.26Å; Y333-K337 WeakPolarHBondContact O-CB 3.21Å; Y333-K337 PolarHBondContact O-N 2.81Å |
| 334 | D | 81.7 | Confident | 77 | Confident | 90 Ų | 90 | 68.8 Ų | 68.8 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 175.2 | -75.5 | -25.8 | 0 | 0 | 0 | 111.8 | A330 K337 A338 | A330-D334 VanDerWaalsContact O-CB 3.32Å; A330-D334 WeakPolarHBondContact O-CB 3.04Å; A330-D334 PolarHBondContact O-N 3.08Å; D334-K337 PolarHBondContact O-N 2.92Å; D334-A338 PolarHBondContact O-N 3.26Å |
| 335 | A | 76.4 | Confident | 75.5 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 2% | 0.017 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M331 L332 K337 A338 M339 H350 L351 | M331-A335 PolarHBondContact O-N 3.19Å; M331-A335 VanDerWaalsContact O-N 3.12Å; L332-A335 PolarHBondContact O-N 3.48Å; A335-K337 VanDerWaalsContact C-N 3.33Å; A335-K337 PolarHBondContact O-N 2.79Å; A335-A338 WeakPolarHBondContact O-CB 3.42Å; A335-A338 PolarHBondContact O-N 2.93Å; A335-M339 WeakPolarHBondContact O-CG 3.48Å; A335-M339 PolarHBondContact O-N 3.14Å; A335-H350 HydrophobicContact CB-CB 4.5Å; A335-L351 HydrophobicContact CB-CD1 4.34Å; A335-L351 HydrophobicContact CB-CD2 3.7Å; A335-L351 HydrophobicContact CB-CG 3.88Å |
| 336 | L | 81.7 | Confident | 74.2 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 176 | -70.2 | 170.3 | 0 | 0 | 0 | 112 | F311 W317 I320 I326 L332 Y333 A338 M339 K340 | F311-L336 HydrophobicContact CD1-CD2 4.32Å; F311-L336 HydrophobicContact CE1-CD2 3.72Å; W317-L336 HydrophobicContact CZ3-CB 4.43Å; W317-L336 WeakPolarHBondContact CZ3-O 3.22Å; I320-L336 HydrophobicContact CG2-CB 4.15Å; I320-L336 HydrophobicContact CG2-CD1 3.83Å; I326-L336 HydrophobicContact CG2-CD1 3.5Å; I326-L336 VanDerWaalsContact CG2-CD1 3.5Å; L332-L336 HydrophobicContact CD1-CD1 4.05Å; L332-L336 HydrophobicContact CD1-CG 4.27Å; L332-L336 HydrophobicContact CG-CD1 3.96Å; L332-L336 WeakPolarHBondContact O-CG 3.48Å; L332-L336 PolarHBondContact O-N 2.91Å; Y333-L336 PolarHBondContact O-N 2.77Å; L336-A338 VanDerWaalsContact C-N 3.29Å; L336-A338 PolarHBondContact O-N 2.96Å; L336-M339 HydrophobicContact CD2-SD 4.04Å; L336-M339 WeakPolarHBondContact O-CA 3.21Å; L336-M339 WeakPolarHBondContact O-CB 3.33Å; L336-M339 PolarHBondContact O-N 3.09Å; L336-K340 PolarHBondContact O-N 3.43Å |
| 337 | K | 81.7 | Confident | 72.2 | Confident | 100 Ų | 100 | 68.9 Ų | 68.9 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 175.7 | -168.8 | 177.5 | -177.2 | 180 | 0 | 112.2 | W317 Y333 D334 A335 M339 K340 F341 | W317-K337 VanDerWaalsContact CH2-CA 3.42Å; W317-K337 HydrophobicContact CH2-CB 3.72Å; W317-K337 HydrophobicContact CH2-CG 3.93Å; W317-K337 HydrophobicContact CZ2-CG 4.26Å; W317-K337 HydrophobicContact CZ3-CB 4.45Å; Y333-K337 VanDerWaalsContact O-CB 3.26Å; Y333-K337 WeakPolarHBondContact O-CB 3.21Å; Y333-K337 PolarHBondContact O-N 2.81Å; D334-K337 PolarHBondContact O-N 2.92Å; A335-K337 VanDerWaalsContact C-N 3.33Å; A335-K337 PolarHBondContact O-N 2.79Å; K337-M339 VanDerWaalsContact C-N 3.28Å; K337-M339 PolarHBondContact O-N 2.97Å; K337-K340 WeakPolarHBondContact O-CB 3.41Å; K337-K340 PolarHBondContact O-N 2.87Å; K337-F341 WeakPolarHBondContact O-CD2 3.21Å |
| 338 | A | 75.9 | Confident | 70.6 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 17% | 0.174 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | D334 A335 L336 K340 F341 A342 V346 | D334-A338 PolarHBondContact O-N 3.26Å; A335-A338 WeakPolarHBondContact O-CB 3.42Å; A335-A338 PolarHBondContact O-N 2.93Å; L336-A338 VanDerWaalsContact C-N 3.29Å; L336-A338 PolarHBondContact O-N 2.96Å; A338-K340 VanDerWaalsContact C-N 3.28Å; A338-K340 PolarHBondContact O-N 3.36Å; A338-F341 PolarHBondContact O-N 2.95Å; A338-A342 WeakPolarHBondContact O-CB 3.44Å; A338-A342 PolarHBondContact O-N 3.44Å; A338-A342 VanDerWaalsContact O-N 3.08Å; A338-V346 HydrophobicContact CB-CG1 3.89Å |
| 339 | M | 71.7 | Confident | 69.1 | Low | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.039 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.5 | -19.9 | 175.9 | -60.1 | 176.1 | 72.3 | 0 | 0 | 114.1 | F311 A335 L336 K337 F341 A342 F344 C347 | F311-M339 HydrophobicContact CB-CB 4.24Å; F311-M339 HydrophobicContact CD1-CE 4.18Å; F311-M339 HydrophobicContact CD1-SD 4.49Å; F311-M339 HydrophobicContact CD2-CE 3.43Å; F311-M339 VanDerWaalsContact CD2-CE 3.43Å; F311-M339 HydrophobicContact CE1-CE 4.11Å; F311-M339 HydrophobicContact CE1-SD 4.38Å; F311-M339 HydrophobicContact CE2-CE 3.34Å; F311-M339 HydrophobicContact CG-CB 4.3Å; F311-M339 HydrophobicContact CG-CE 3.86Å; F311-M339 HydrophobicContact CZ-CE 3.7Å; F311-M339 HydrophobicContact CZ-SD 4.4Å; A335-M339 WeakPolarHBondContact O-CG 3.48Å; A335-M339 PolarHBondContact O-N 3.14Å; L336-M339 HydrophobicContact CD2-SD 4.04Å; L336-M339 WeakPolarHBondContact O-CA 3.21Å; L336-M339 WeakPolarHBondContact O-CB 3.33Å; L336-M339 PolarHBondContact O-N 3.09Å; K337-M339 VanDerWaalsContact C-N 3.28Å; K337-M339 PolarHBondContact O-N 2.97Å; M339-F341 PolarHBondContact O-N 3.43Å; M339-A342 CarbonylContact C-O 3.54Å; M339-F344 HydrophobicContact CE-CB 4.44Å; M339-F344 HydrophobicContact CE-CD2 3.18Å; M339-F344 HydrophobicContact CE-CE2 3.58Å; M339-F344 HydrophobicContact CE-CG 4.06Å; M339-C347 HydrophobicContact CE-CB 4.42Å; M339-C347 HydrophobicContact CG-CB 3.63Å; M339-C347 HydrophobicContact SD-CB 3.64Å; M339-C347 PolarHBondContact SD-SG 2.76Å |
| 340 | K | 72.9 | Confident | 67.5 | Low | 56 Ų | 56 | 69.6 Ų | 69.6 | 24% | 0.243 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.1 | -34.2 | 171.4 | -168.3 | -175.7 | -169.5 | 167.4 | 0 | 111.5 | W317 L336 K337 A338 | W317-K340 HydrophobicContact CB-CD 4.43Å; W317-K340 HydrophobicContact CD2-CB 4.22Å; W317-K340 HydrophobicContact CD2-CD 3.49Å; W317-K340 VanDerWaalsContact CD2-CD 3.49Å; W317-K340 HydrophobicContact CD2-CG 4Å; W317-K340 HydrophobicContact CE3-CB 3.89Å; W317-K340 HydrophobicContact CE3-CD 4.08Å; W317-K340 HydrophobicContact CE3-CG 4.13Å; W317-K340 HydrophobicContact CG-CD 3.61Å; W317-K340 VanDerWaalsContact CG-CE 3.46Å; W317-K340 HydrophobicContact CG-CG 4.21Å; W317-K340 HydrophobicContact CZ2-CD 4.33Å; W317-K340 HydrophobicContact CZ3-CB 4.15Å; L336-K340 PolarHBondContact O-N 3.43Å; K337-K340 WeakPolarHBondContact O-CB 3.41Å; K337-K340 PolarHBondContact O-N 2.87Å; A338-K340 VanDerWaalsContact C-N 3.28Å; A338-K340 PolarHBondContact O-N 3.36Å |
| 341 | F | 67.4 | Low | 66.2 | Low | 165 Ų | 165 | 67.7 Ų | 67.7 | 72% | 0.724 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -110 | 0.5 | -172.6 | -57.8 | -72.4 | 0 | 0 | 0 | 113.6 | K337 A338 M339 | K337-F341 WeakPolarHBondContact O-CD2 3.21Å; A338-F341 PolarHBondContact O-N 2.95Å; M339-F341 PolarHBondContact O-N 3.43Å |
| 342 | A | 63.5 | Low | 65.1 | Low | 40 Ų | 40 | 69 Ų | 69 | 33% | 0.331 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -150.9 | 169 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A338 M339 V346 | A338-A342 WeakPolarHBondContact O-CB 3.44Å; A338-A342 PolarHBondContact O-N 3.44Å; A338-A342 VanDerWaalsContact O-N 3.08Å; M339-A342 CarbonylContact C-O 3.54Å; A342-V346 HydrophobicContact CB-CB 3.87Å; A342-V346 HydrophobicContact CB-CG1 4.42Å; A342-V346 HydrophobicContact CB-CG2 3.44Å; A342-V346 VanDerWaalsContact CB-CG2 3.44Å |
| 343 | D | 56.9 | Low | 63.5 | Low | 108 Ų | 108 | 69.5 Ų | 69.5 | 58% | 0.578 | 37% | 0.369 | S | S | * | . | trans | -77.5 | 176.1 | 173.3 | 64.8 | 40.9 | 0 | 0 | 0 | 112.1 | S345 V346 | D343-S345 PolarHBondContact O-N 3.26Å; D343-S345 WeakPolarHBondContact OD1-CB 3.13Å; D343-S345 PolarHBondContact OD1-N 3.03Å; D343-S345 PolarHBondContact OD1-OG 3.26Å; D343-V346 PolarHBondContact O-N 2.98Å | ||
| 344 | F | 56.5 | Low | 61.6 | Low | 139 Ų | 139 | 70 Ų | 70 | 61% | 0.61 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -56.2 | -18.7 | -176.7 | -156.6 | -86.8 | 0 | 0 | 0 | 113.7 | M339 V346 C347 N348 | M339-F344 HydrophobicContact CE-CB 4.44Å; M339-F344 HydrophobicContact CE-CD2 3.18Å; M339-F344 HydrophobicContact CE-CE2 3.58Å; M339-F344 HydrophobicContact CE-CG 4.06Å; F344-V346 VanDerWaalsContact C-N 3.3Å; F344-V346 PolarHBondContact O-N 2.74Å; F344-C347 WeakPolarHBondContact O-CB 3.31Å; F344-C347 PolarHBondContact O-N 3.2Å; F344-N348 PolarHBondContact O-N 3.12Å |
| 345 | S | 55.4 | Low | 60.1 | Low | 73 Ų | 73 | 68.2 Ų | 68.2 | 51% | 0.51 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -32 | -179.6 | 72.1 | 0 | 0 | 0 | 0 | 113.3 | D343 N348 | D343-S345 PolarHBondContact O-N 3.26Å; D343-S345 WeakPolarHBondContact OD1-CB 3.13Å; D343-S345 PolarHBondContact OD1-N 3.03Å; D343-S345 PolarHBondContact OD1-OG 3.26Å; S345-N348 WeakPolarHBondContact O-CB 3.43Å; S345-N348 PolarHBondContact O-N 2.92Å |
| 346 | V | 55.8 | Low | 59.1 | Low | 45 Ų | 45 | 69.2 Ų | 69.2 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -75.5 | -29.9 | 179.9 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | A338 A342 D343 F344 N348 D349 H350 | A338-V346 HydrophobicContact CB-CG1 3.89Å; A342-V346 HydrophobicContact CB-CB 3.87Å; A342-V346 HydrophobicContact CB-CG1 4.42Å; A342-V346 HydrophobicContact CB-CG2 3.44Å; A342-V346 VanDerWaalsContact CB-CG2 3.44Å; D343-V346 PolarHBondContact O-N 2.98Å; F344-V346 VanDerWaalsContact C-N 3.3Å; F344-V346 PolarHBondContact O-N 2.74Å; V346-N348 VanDerWaalsContact C-N 3.27Å; V346-N348 PolarHBondContact O-N 3.43Å; V346-D349 PolarHBondContact O-N 3.48Å; V346-H350 PolarHBondContact O-N 3.4Å; V346-H350 PolarHBondContact O-ND1 3.11Å |
| 347 | C | 47.4 | Very low | 58.1 | Low | 8 Ų | 8 | 70.7 Ų | 70.7 | 5% | 0.054 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 172.8 | -167.4 | 0 | 0 | 0 | 0 | 110.4 | M339 F344 D349 H350 L351 | M339-C347 HydrophobicContact CE-CB 4.42Å; M339-C347 HydrophobicContact CG-CB 3.63Å; M339-C347 HydrophobicContact SD-CB 3.64Å; M339-C347 PolarHBondContact SD-SG 2.76Å; F344-C347 WeakPolarHBondContact O-CB 3.31Å; F344-C347 PolarHBondContact O-N 3.2Å; C347-D349 VanDerWaalsContact C-N 3.29Å; C347-D349 PolarHBondContact O-N 2.99Å; C347-H350 PolarHBondContact O-N 2.98Å; C347-L351 VanDerWaalsContact O-CB 3.28Å; C347-L351 WeakPolarHBondContact O-CB 3.26Å; C347-L351 WeakPolarHBondContact O-CG 3.45Å; C347-L351 PolarHBondContact O-N 3.19Å; C347-L351 WeakPolarHBondContact SG-CD1 3.42Å |
| 348 | N | 51.6 | Low | 57.4 | Low | 79 Ų | 79 | 72 Ų | 72 | 42% | 0.422 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | -179.7 | -149.5 | 17.1 | 0 | 0 | 0 | 111.2 | F344 S345 V346 L351 K352 | F344-N348 PolarHBondContact O-N 3.12Å; S345-N348 WeakPolarHBondContact O-CB 3.43Å; S345-N348 PolarHBondContact O-N 2.92Å; V346-N348 VanDerWaalsContact C-N 3.27Å; V346-N348 PolarHBondContact O-N 3.43Å; N348-L351 PolarHBondContact O-N 3.39Å; N348-K352 WeakPolarHBondContact O-CG 3.36Å; N348-K352 PolarHBondContact O-N 3.42Å; N348-K352 VanDerWaalsContact O-N 3.15Å |
| 349 | D | 53.3 | Low | 57.3 | Low | 101 Ų | 101 | 71.6 Ų | 71.6 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 177.3 | -78.9 | -17.6 | 0 | 0 | 0 | 114.2 | V346 C347 K352 | V346-D349 PolarHBondContact O-N 3.48Å; C347-D349 VanDerWaalsContact C-N 3.29Å; C347-D349 PolarHBondContact O-N 2.99Å; D349-K352 WeakPolarHBondContact OD1-CE 3.23Å; D349-K352 IonicContact OD1-NZ 2.99Å; D349-K352 PolarHBondContact OD1-NZ 3.09Å |
| 350 | H | 50.9 | Low | 57.4 | Low | 118 Ų | 118 | 78.3 Ų | 78.3 | 55% | 0.546 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -76.7 | -26.4 | 176.1 | -80.2 | 81.1 | 0 | 0 | 0 | 112.9 | A335 V346 C347 | A335-H350 HydrophobicContact CB-CB 4.5Å; V346-H350 PolarHBondContact O-N 3.4Å; V346-H350 PolarHBondContact O-ND1 3.11Å; C347-H350 PolarHBondContact O-N 2.98Å |
| 351 | L | 51.3 | Low | 57.6 | Low | 26 Ų | 26 | 76.1 Ų | 76.1 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -92.4 | 0.4 | 179.4 | -66 | 179.8 | 0 | 0 | 0 | 114.6 | A335 C347 N348 G353 I354 N355 | A335-L351 HydrophobicContact CB-CD1 4.34Å; A335-L351 HydrophobicContact CB-CD2 3.7Å; A335-L351 HydrophobicContact CB-CG 3.88Å; C347-L351 VanDerWaalsContact O-CB 3.28Å; C347-L351 WeakPolarHBondContact O-CB 3.26Å; C347-L351 WeakPolarHBondContact O-CG 3.45Å; C347-L351 PolarHBondContact O-N 3.19Å; C347-L351 WeakPolarHBondContact SG-CD1 3.42Å; N348-L351 PolarHBondContact O-N 3.39Å; L351-G353 PolarHBondContact O-N 3.26Å; L351-I354 HydrophobicContact CD2-CB 4.17Å; L351-I354 HydrophobicContact CD2-CD1 3.7Å; L351-I354 HydrophobicContact CD2-CG2 4.2Å; L351-I354 PolarHBondContact O-N 3.08Å; L351-N355 PolarHBondContact O-N 2.97Å |
| 352 | K | 50.4 | Low | 58 | Low | 132 Ų | 132 | 72.5 Ų | 72.5 | 57% | 0.574 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -5.6 | -177 | -66.2 | -163.6 | 167.3 | 158.1 | 0 | 115.9 | N348 D349 | N348-K352 WeakPolarHBondContact O-CG 3.36Å; N348-K352 PolarHBondContact O-N 3.42Å; N348-K352 VanDerWaalsContact O-N 3.15Å; D349-K352 WeakPolarHBondContact OD1-CE 3.23Å; D349-K352 IonicContact OD1-NZ 2.99Å; D349-K352 PolarHBondContact OD1-NZ 3.09Å |
| 353 | G | 46.4 | Very low | 58.4 | Low | 71 Ų | 71 | 71.1 Ų | 71.1 | 73% | 0.732 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 3.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L351 | L351-G353 PolarHBondContact O-N 3.26Š|
| 354 | I | 45.7 | Very low | 58.9 | Low | 65 Ų | 65 | 67.5 Ų | 67.5 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | -23.4 | -163 | -59.8 | 151 | 0 | 0 | 0 | 111.9 | M331 L351 A356 | M331-I354 HydrophobicContact CE-CD1 3.6Å; M331-I354 HydrophobicContact CE-CG1 3.55Å; M331-I354 HydrophobicContact CG-CD1 3.13Å; M331-I354 HydrophobicContact CG-CG1 4.05Å; M331-I354 HydrophobicContact SD-CB 4.17Å; M331-I354 HydrophobicContact SD-CD1 3.1Å; M331-I354 WeakPolarHBondContact SD-CD1 3.4Å; M331-I354 HydrophobicContact SD-CG1 3.28Å; M331-I354 WeakPolarHBondContact SD-CG1 3.01Å; M331-I354 HydrophobicContact SD-CG2 3.77Å; L351-I354 HydrophobicContact CD2-CB 4.17Å; L351-I354 HydrophobicContact CD2-CD1 3.7Å; L351-I354 HydrophobicContact CD2-CG2 4.2Å; L351-I354 PolarHBondContact O-N 3.08Å; I354-A356 VanDerWaalsContact C-N 3.35Å; I354-A356 PolarHBondContact O-N 3.1Å |
| 355 | N | 49.3 | Very low | 59.3 | Low | 54 Ų | 54 | 64 Ų | 64 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | trans | -71.3 | 94.9 | 174.9 | -69.6 | -13 | 0 | 0 | 0 | 109.1 | L351 D374 | L351-N355 PolarHBondContact O-N 2.97Å; N355-D374 WeakPolarHBondContact CB-OD2 3.4Å; N355-D374 WeakPolarHBondContact O-CB 3.28Å; N355-D374 PolarHBondContact O-N 2.98Å | ||
| 356 | A | 55.8 | Low | 59.7 | Low | 22 Ų | 22 | 64.8 Ų | 64.8 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 124.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | I354 K358 Q371 Y372 | I354-A356 VanDerWaalsContact C-N 3.35Å; I354-A356 PolarHBondContact O-N 3.1Å; A356-K358 PolarHBondContact O-N 3.11Å; A356-K358 VanDerWaalsContact O-N 3.07Å; A356-Q371 HydrophobicContact CB-CG 3.28Å; A356-Q371 VanDerWaalsContact CB-NE2 3.33Å; A356-Y372 CarbonylContact C-O 3.48Å; A356-Y372 WeakPolarHBondContact CA-O 3.35Å |
| 357 | V | 60.7 | Low | 60.5 | Low | 53 Ų | 53 | 68.4 Ų | 68.4 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 112.9 | 176.6 | -165.9 | 0 | 0 | 0 | 0 | 107.3 | I359 Q371 Y372 D374 I377 | V357-I359 HydrophobicContact CB-CD1 4.18Å; V357-I359 HydrophobicContact CB-CG1 4.15Å; V357-I359 HydrophobicContact CG1-CD1 3.79Å; V357-I359 HydrophobicContact CG1-CG1 3.48Å; V357-I359 VanDerWaalsContact CG1-CG1 3.48Å; V357-Q371 WeakPolarHBondContact O-CA 3.5Å; V357-Y372 PolarHBondContact N-O 3.47Å; V357-Y372 PolarHBondContact O-N 3.32Å; V357-D374 WeakPolarHBondContact CG2-OD1 3.18Å; V357-I377 HydrophobicContact CB-CD1 4.12Å; V357-I377 HydrophobicContact CG2-CD1 3.61Å |
| 358 | K | 66.5 | Low | 61.7 | Low | 128 Ų | 128 | 70.3 Ų | 70.3 | 56% | 0.557 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 115.8 | 168.5 | -70.3 | -175.5 | -179 | -177.8 | 0 | 108 | A356 Q369 A370 Q371 | A356-K358 PolarHBondContact O-N 3.11Å; A356-K358 VanDerWaalsContact O-N 3.07Å; K358-Q369 HydrophobicContact CB-CG 4.44Å; K358-A370 WeakPolarHBondContact CA-O 3.28Å; K358-Q371 HydrophobicContact CG-CG 4.28Å |
| 359 | I | 73.2 | Confident | 62.9 | Low | 12 Ų | 12 | 72.4 Ų | 72.4 | 6% | 0.062 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.9 | -177.5 | -53.8 | 166.4 | 0 | 0 | 0 | 107.5 | V357 L361 Q369 A370 F418 Y421 | V357-I359 HydrophobicContact CB-CD1 4.18Å; V357-I359 HydrophobicContact CB-CG1 4.15Å; V357-I359 HydrophobicContact CG1-CD1 3.79Å; V357-I359 HydrophobicContact CG1-CG1 3.48Å; V357-I359 VanDerWaalsContact CG1-CG1 3.48Å; I359-L361 HydrophobicContact CB-CG 4.41Å; I359-L361 HydrophobicContact CG2-CD2 3.54Å; I359-L361 HydrophobicContact CG2-CG 3.85Å; I359-Q369 WeakPolarHBondContact O-CA 3.25Å; I359-A370 PolarHBondContact N-O 3.32Å; I359-A370 PolarHBondContact O-N 3.4Å; I359-F418 HydrophobicContact CD1-CD2 3.6Å; I359-F418 HydrophobicContact CD1-CE2 3.23Å; I359-F418 HydrophobicContact CD1-CZ 4.32Å; I359-Y421 HydrophobicContact CD1-CD1 3.86Å; I359-Y421 HydrophobicContact CD1-CE1 3.61Å; I359-Y421 HydrophobicContact CG1-CE1 4.32Å; I359-Y421 HydrophobicContact CG2-CD1 4.39Å; I359-Y421 HydrophobicContact CG2-CD2 4.32Å; I359-Y421 HydrophobicContact CG2-CE1 4.31Å; I359-Y421 HydrophobicContact CG2-CE2 4.22Å; I359-Y421 HydrophobicContact CG2-CG 4.4Å |
| 360 | E | 75 | Confident | 64 | Low | 150 Ų | 150 | 67.9 Ų | 67.9 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 117.1 | 167.3 | -69.9 | -169.5 | 168.8 | 0 | 0 | 108.9 | ||
| 361 | L | 76.8 | Confident | 65.3 | Low | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138.5 | 179 | -61.9 | 173.5 | 0 | 0 | 0 | 108.9 | I359 V363 V368 A370 T417 F418 Y421 | I359-L361 HydrophobicContact CB-CG 4.41Å; I359-L361 HydrophobicContact CG2-CD2 3.54Å; I359-L361 HydrophobicContact CG2-CG 3.85Å; L361-V363 HydrophobicContact CB-CG2 4.12Å; L361-V363 PolarHBondContact O-N 3Å; L361-V368 PolarHBondContact N-O 3.14Å; L361-V368 PolarHBondContact O-N 3.08Å; L361-A370 HydrophobicContact CD1-CB 3.92Å; L361-T417 HydrophobicContact CB-CG2 4.11Å; L361-T417 HydrophobicContact CD1-CG2 4.45Å; L361-T417 HydrophobicContact CD2-CG2 4.29Å; L361-F418 HydrophobicContact CD1-CB 3.8Å; L361-Y421 HydrophobicContact CD2-CG 4.37Å |
| 362 | T | 74.8 | Confident | 66.8 | Low | 89 Ų | 89 | 67.4 Ų | 67.4 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 103.3 | 170.7 | -55.7 | 0 | 0 | 0 | 0 | 109 | L366 N367 | T362-L366 CarbonylContact C-O 3.56Å; T362-L366 WeakPolarHBondContact CA-O 3.35Å; T362-N367 PolarHBondContact OG1-OD1 3.13Å |
| 363 | V | 71.6 | Confident | 68.3 | Low | 10 Ų | 10 | 62.1 Ų | 62.1 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 115.8 | -178.2 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | L361 G365 L366 V368 T414 T417 | L361-V363 HydrophobicContact CB-CG2 4.12Å; L361-V363 PolarHBondContact O-N 3Å; V363-G365 PolarHBondContact O-N 3.14Å; V363-L366 PolarHBondContact N-O 3.3Å; V363-L366 PolarHBondContact O-N 3.38Å; V363-L366 VanDerWaalsContact O-N 3.14Å; V363-V368 HydrophobicContact CB-CG2 4.15Å; V363-V368 HydrophobicContact CG2-CB 4.33Å; V363-V368 HydrophobicContact CG2-CG2 4.29Å; V363-T414 HydrophobicContact CG2-CG2 4.49Å; V363-T417 HydrophobicContact CG2-CG2 4.24Å |
| 364 | N | 68.5 | Low | 69.9 | Low | 33 Ų | 33 | 61.5 Ų | 61.5 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41.1 | -176.1 | -64.4 | -49.7 | 0 | 0 | 0 | 113.2 | L366 Q483 | N364-L366 VanDerWaalsContact C-N 3.29Å; N364-L366 PolarHBondContact O-N 3.08Å; N364-Q483 PolarHBondContact OD1-NE2 3.33Å |
| 365 | G | 64.8 | Low | 71.7 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 68% | 0.68 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 3.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | V363 | V363-G365 PolarHBondContact O-N 3.14Š|
| 366 | L | 64.4 | Low | 73.5 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 47% | 0.466 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.7 | 175.4 | -63.7 | 171.8 | 0 | 0 | 0 | 110 | T362 V363 N364 V368 | T362-L366 CarbonylContact C-O 3.56Å; T362-L366 WeakPolarHBondContact CA-O 3.35Å; V363-L366 PolarHBondContact N-O 3.3Å; V363-L366 PolarHBondContact O-N 3.38Å; V363-L366 VanDerWaalsContact O-N 3.14Å; N364-L366 VanDerWaalsContact C-N 3.29Å; N364-L366 PolarHBondContact O-N 3.08Å; L366-V368 PolarHBondContact O-N 3.47Å |
| 367 | N | 71.7 | Confident | 75 | Confident | 121 Ų | 121 | 58.6 Ų | 58.6 | 65% | 0.647 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 120 | 171.1 | -68.9 | -14.5 | 0 | 0 | 0 | 108.9 | T362 | T362-N367 PolarHBondContact OG1-OD1 3.13Å |
| 368 | V | 73.5 | Confident | 76.3 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 29% | 0.291 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.8 | 179.5 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | L361 V363 L366 A370 T414 | L361-V368 PolarHBondContact N-O 3.14Å; L361-V368 PolarHBondContact O-N 3.08Å; V363-V368 HydrophobicContact CB-CG2 4.15Å; V363-V368 HydrophobicContact CG2-CB 4.33Å; V363-V368 HydrophobicContact CG2-CG2 4.29Å; L366-V368 PolarHBondContact O-N 3.47Å; V368-A370 PolarHBondContact O-N 3.47Å; V368-T414 HydrophobicContact CG1-CG2 4.3Å |
| 369 | Q | 76.1 | Confident | 77.3 | Confident | 122 Ų | 122 | 59.5 Ų | 59.5 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 111.4 | 169.2 | -169.1 | 174.6 | 51.9 | 0 | 0 | 108.3 | K358 I359 | K358-Q369 HydrophobicContact CB-CG 4.44Å; I359-Q369 WeakPolarHBondContact O-CA 3.25Å |
| 370 | A | 76.7 | Confident | 78.1 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 144.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | K358 I359 L361 V368 Y372 T414 | K358-A370 WeakPolarHBondContact CA-O 3.28Å; I359-A370 PolarHBondContact N-O 3.32Å; I359-A370 PolarHBondContact O-N 3.4Å; L361-A370 HydrophobicContact CD1-CB 3.92Å; V368-A370 PolarHBondContact O-N 3.47Å; A370-Y372 HydrophobicContact CB-CD2 4.32Å; A370-Y372 HydrophobicContact CB-CE2 3.75Å; A370-T414 HydrophobicContact CB-CG2 3.89Å |
| 371 | Q | 78.6 | Confident | 79 | Confident | 118 Ų | 118 | 52.4 Ų | 52.4 | 55% | 0.551 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 115.7 | -179.9 | -177.4 | 173.1 | -10.9 | 0 | 0 | 108.5 | A356 V357 K358 | A356-Q371 HydrophobicContact CB-CG 3.28Å; A356-Q371 VanDerWaalsContact CB-NE2 3.33Å; V357-Q371 WeakPolarHBondContact O-CA 3.5Å; K358-Q371 HydrophobicContact CG-CG 4.28Å |
| 372 | Y | 82.9 | Confident | 79.7 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.2 | 177.4 | -65.4 | -81.6 | 0 | 0 | 0 | 109.2 | A356 V357 A370 H381 L415 F418 Y589 | A356-Y372 CarbonylContact C-O 3.48Å; A356-Y372 WeakPolarHBondContact CA-O 3.35Å; V357-Y372 PolarHBondContact N-O 3.47Å; V357-Y372 PolarHBondContact O-N 3.32Å; A370-Y372 HydrophobicContact CB-CD2 4.32Å; A370-Y372 HydrophobicContact CB-CE2 3.75Å; Y372-H381 AromaticContact CD1-NE2 3.44Å; Y372-H381 WeakPolarHBondContact CD1-NE2 3.35Å; Y372-H381 AromaticContact CE1-NE2 3.76Å; Y372-L415 HydrophobicContact CE1-CD1 4.21Å; Y372-F418 HydrophobicContact CD1-CD1 4.49Å; Y372-F418 HydrophobicContact CD1-CE1 4.33Å; Y372-F418 AromaticContact CD2-CD1 3.56Å; Y372-F418 HydrophobicContact CD2-CD1 3.56Å; Y372-F418 HydrophobicContact CD2-CD2 4.1Å; Y372-F418 AromaticContact CD2-CE1 3.56Å; Y372-F418 HydrophobicContact CD2-CE1 3.56Å; Y372-F418 HydrophobicContact CD2-CE2 4.14Å; Y372-F418 AromaticContact CD2-CG 3.83Å; Y372-F418 HydrophobicContact CD2-CG 3.83Å; Y372-F418 AromaticContact CD2-CZ 3.86Å; Y372-F418 HydrophobicContact CD2-CZ 3.86Å; Y372-F418 HydrophobicContact CE1-CD1 4.37Å; Y372-F418 HydrophobicContact CE2-CB 3.89Å; Y372-F418 AromaticContact CE2-CD1 3.41Å; Y372-F418 HydrophobicContact CE2-CD1 3.41Å; Y372-F418 VanDerWaalsContact CE2-CD1 3.41Å; Y372-F418 HydrophobicContact CE2-CD2 4.15Å; Y372-F418 AromaticContact CE2-CE1 3.93Å; Y372-F418 HydrophobicContact CE2-CE1 3.93Å; Y372-F418 AromaticContact CE2-CG 3.53Å; Y372-F418 HydrophobicContact CE2-CG 3.53Å; Y372-F418 HydrophobicContact CG-CD1 4.12Å; Y372-F418 AromaticContact CG-CE1 3.78Å; Y372-F418 HydrophobicContact CG-CE1 3.78Å; Y372-F418 HydrophobicContact CG-CZ 4.21Å; Y372-F418 AromaticContact CZ-CD1 3.86Å; Y372-Y589 HydrophobicContact CE1-CD2 4.24Å; Y372-Y589 HydrophobicContact CE1-CE2 4.04Å |
| 373 | P | 80.9 | Confident | 80.5 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 139 | 173 | -23.5 | 34.4 | 0 | 0 | 0 | 111.6 | D375 E376 I377 | P373-D375 WeakPolarHBondContact CB-OD1 3.37Å; P373-D375 PolarHBondContact O-N 2.82Å; P373-E376 HydrophobicContact CB-CB 4.26Å; P373-E376 HydrophobicContact CG-CB 4.5Å; P373-E376 WeakPolarHBondContact O-CB 3.34Å; P373-E376 PolarHBondContact O-N 3.39Å; P373-I377 WeakPolarHBondContact O-CG1 3.42Å; P373-I377 PolarHBondContact O-N 3.15Å |
| 374 | D | 80.9 | Confident | 81.6 | Confident | 57 Ų | 57 | 52 Ų | 52 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -53.7 | -38.1 | 178.6 | -77.6 | -8.1 | 0 | 0 | 0 | 112.2 | N355 V357 E376 I377 E378 | N355-D374 WeakPolarHBondContact CB-OD2 3.4Å; N355-D374 WeakPolarHBondContact O-CB 3.28Å; N355-D374 PolarHBondContact O-N 2.98Å; V357-D374 WeakPolarHBondContact CG2-OD1 3.18Å; D374-E376 VanDerWaalsContact C-N 3.31Å; D374-E376 PolarHBondContact O-N 3.25Å; D374-I377 PolarHBondContact O-N 3.37Å; D374-E378 WeakPolarHBondContact O-CG 3.2Å; D374-E378 PolarHBondContact O-N 3.34Å |
| 375 | D | 82.7 | Confident | 82.9 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 177.3 | 67.4 | -73 | 0 | 0 | 0 | 112.5 | P373 N379 R588 | P373-D375 WeakPolarHBondContact CB-OD1 3.37Å; P373-D375 PolarHBondContact O-N 2.82Å; D375-N379 WeakPolarHBondContact O-CB 3.43Å; D375-N379 PolarHBondContact O-N 3.18Å; D375-N379 PolarHBondContact O-ND2 3.37Å; D375-R588 IonicContact OD1-NH1 3.98Å; D375-R588 IonicContact OD2-NH1 3.83Å |
| 376 | E | 86.4 | Confident | 84.3 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.5 | -39.6 | 175.9 | -170.5 | 176.9 | 147.1 | 0 | 0 | 111.2 | P373 D374 V380 H381 R588 Y589 | P373-E376 HydrophobicContact CB-CB 4.26Å; P373-E376 HydrophobicContact CG-CB 4.5Å; P373-E376 WeakPolarHBondContact O-CB 3.34Å; P373-E376 PolarHBondContact O-N 3.39Å; D374-E376 VanDerWaalsContact C-N 3.31Å; D374-E376 PolarHBondContact O-N 3.25Å; E376-V380 HydrophobicContact CG-CB 4.29Å; E376-V380 HydrophobicContact CG-CG2 4.33Å; E376-V380 WeakPolarHBondContact O-CA 3.37Å; E376-V380 VanDerWaalsContact O-CB 3.26Å; E376-V380 WeakPolarHBondContact O-CB 3.34Å; E376-V380 PolarHBondContact O-N 3.26Å; E376-H381 PolarHBondContact O-N 2.82Å; E376-H381 IonicContact OE1-CE1 3.46Å; E376-H381 IonicContact OE1-NE2 2.71Å; E376-H381 PolarHBondContact OE1-NE2 3.07Å; E376-R588 VanDerWaalsContact OE2-CA 3.28Å; E376-R588 WeakPolarHBondContact OE2-CA 3.29Å; E376-R588 WeakPolarHBondContact OE2-CB 3.38Å; E376-R588 WeakPolarHBondContact OE2-CG 3.45Å; E376-Y589 VanDerWaalsContact CD-N 3.33Å; E376-Y589 VanDerWaalsContact OE1-CD2 3.25Å; E376-Y589 WeakPolarHBondContact OE1-CD2 3.42Å; E376-Y589 PolarHBondContact OE1-N 3.29Å |
| 377 | I | 88.3 | Confident | 85.7 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -59.9 | -50.1 | 175.5 | -60.5 | 176.2 | 0 | 0 | 0 | 110.6 | V357 P373 D374 H381 K382 F418 L422 | V357-I377 HydrophobicContact CB-CD1 4.12Å; V357-I377 HydrophobicContact CG2-CD1 3.61Å; P373-I377 WeakPolarHBondContact O-CG1 3.42Å; P373-I377 PolarHBondContact O-N 3.15Å; D374-I377 PolarHBondContact O-N 3.37Å; I377-H381 PolarHBondContact O-N 2.75Å; I377-K382 HydrophobicContact CG2-CD 4.38Å; I377-K382 HydrophobicContact CG2-CG 4.33Å; I377-K382 WeakPolarHBondContact O-CB 3.16Å; I377-K382 PolarHBondContact O-N 3.47Å; I377-F418 HydrophobicContact CD1-CZ 3.83Å; I377-F418 HydrophobicContact CG1-CE1 4.27Å; I377-F418 HydrophobicContact CG1-CZ 3.8Å; I377-F418 HydrophobicContact CG2-CZ 4.47Å; I377-L422 HydrophobicContact CG2-CD1 4.24Å; I377-L422 HydrophobicContact CG2-CD2 4.01Å |
| 378 | E | 87.5 | Confident | 86.9 | Confident | 89 Ų | 89 | 47.4 Ų | 47.4 | 42% | 0.416 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -72.7 | -35.9 | -176.4 | -68.6 | -57.6 | 149 | 0 | 0 | 113.5 | D374 K382 P383 | D374-E378 WeakPolarHBondContact O-CG 3.2Å; D374-E378 PolarHBondContact O-N 3.34Å; E378-K382 WeakPolarHBondContact OE1-CE 3.28Å; E378-K382 IonicContact OE1-NZ 3.87Å; E378-K382 PolarHBondContact OE1-NZ 3.11Å; E378-K382 WeakPolarHBondContact OE2-CD 3.39Å; E378-K382 IonicContact OE2-NZ 3.86Å; E378-P383 WeakPolarHBondContact O-CD 3.4Å; E378-P383 VanDerWaalsContact O-CG 3.32Å; E378-P383 WeakPolarHBondContact O-CG 3.37Å |
| 379 | N | 87.5 | Confident | 87.9 | Confident | 111 Ų | 111 | 45.6 Ų | 45.6 | 59% | 0.594 | 22% | 0.223 | S | C | * | . | I | π-helix | trans | -100.7 | -15 | -171.8 | -60.8 | -61.2 | 0 | 0 | 0 | 114.3 | D375 | D375-N379 WeakPolarHBondContact O-CB 3.43Å; D375-N379 PolarHBondContact O-N 3.18Å; D375-N379 PolarHBondContact O-ND2 3.37Å |
| 380 | V | 90.8 | Very high | 88.8 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -122.9 | -60 | -176.9 | -174 | 0 | 0 | 0 | 0 | 111 | E376 L384 Y589 F591 | E376-V380 HydrophobicContact CG-CB 4.29Å; E376-V380 HydrophobicContact CG-CG2 4.33Å; E376-V380 WeakPolarHBondContact O-CA 3.37Å; E376-V380 VanDerWaalsContact O-CB 3.26Å; E376-V380 WeakPolarHBondContact O-CB 3.34Å; E376-V380 PolarHBondContact O-N 3.26Å; V380-L384 WeakPolarHBondContact O-CB 3.08Å; V380-L384 PolarHBondContact O-N 2.92Å; V380-Y589 WeakPolarHBondContact CG2-O 3.44Å; V380-F591 HydrophobicContact CB-CE2 4.37Å; V380-F591 HydrophobicContact CG1-CE1 4.27Å; V380-F591 HydrophobicContact CG1-CE2 4.08Å; V380-F591 HydrophobicContact CG1-CZ 3.96Å; V380-F591 VanDerWaalsContact O-CZ 3.26Å; V380-F591 WeakPolarHBondContact O-CZ 3.27Å |
| 381 | H | 92.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -70.2 | -52.8 | -173.4 | -59.9 | -51 | 0 | 0 | 0 | 112.9 | Y372 E376 I377 L384 L385 L415 F418 W419 L422 Y589 | Y372-H381 AromaticContact CD1-NE2 3.44Å; Y372-H381 WeakPolarHBondContact CD1-NE2 3.35Å; Y372-H381 AromaticContact CE1-NE2 3.76Å; E376-H381 PolarHBondContact O-N 2.82Å; E376-H381 IonicContact OE1-CE1 3.46Å; E376-H381 IonicContact OE1-NE2 2.71Å; E376-H381 PolarHBondContact OE1-NE2 3.07Å; I377-H381 PolarHBondContact O-N 2.75Å; H381-L384 WeakPolarHBondContact O-CB 3.39Å; H381-L384 PolarHBondContact O-N 2.85Å; H381-L385 WeakPolarHBondContact O-CG 3.3Å; H381-L385 PolarHBondContact O-N 3.27Å; H381-L415 VanDerWaalsContact CE1-CD1 3.44Å; H381-L415 WeakPolarHBondContact CE1-CD1 3.44Å; H381-F418 HydrophobicContact CB-CE1 4.42Å; H381-F418 AromaticContact CD2-CE1 3.59Å; H381-W419 AromaticContact CG-NE1 3.83Å; H381-W419 AromaticContact ND1-NE1 3.28Å; H381-W419 PolarHBondContact ND1-NE1 2.82Å; H381-L422 HydrophobicContact CB-CD1 3.84Å; H381-Y589 AromaticContact CE1-CD2 3.85Å |
| 382 | K | 91.4 | Very high | 90.3 | Very high | 48 Ų | 48 | 40 Ų | 40 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 179.3 | -75.9 | 179.3 | 174.3 | -179.3 | 0 | 113.2 | I377 E378 L384 L385 R386 | I377-K382 HydrophobicContact CG2-CD 4.38Å; I377-K382 HydrophobicContact CG2-CG 4.33Å; I377-K382 WeakPolarHBondContact O-CB 3.16Å; I377-K382 PolarHBondContact O-N 3.47Å; E378-K382 WeakPolarHBondContact OE1-CE 3.28Å; E378-K382 IonicContact OE1-NZ 3.87Å; E378-K382 PolarHBondContact OE1-NZ 3.11Å; E378-K382 WeakPolarHBondContact OE2-CD 3.39Å; E378-K382 IonicContact OE2-NZ 3.86Å; K382-L384 VanDerWaalsContact C-N 3.32Å; K382-L384 PolarHBondContact O-N 3.08Å; K382-L385 PolarHBondContact O-N 2.89Å; K382-R386 WeakPolarHBondContact O-CG 3.13Å; K382-R386 PolarHBondContact O-N 2.86Å |
| 383 | P | 92.7 | Very high | 90.7 | Very high | 49 Ų | 49 | 44 Ų | 44 | 32% | 0.318 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -38.4 | 176 | -28.2 | 38.7 | 0 | 0 | 0 | 113.2 | E378 K387 | E378-P383 WeakPolarHBondContact O-CD 3.4Å; E378-P383 VanDerWaalsContact O-CG 3.32Å; E378-P383 WeakPolarHBondContact O-CG 3.37Å; P383-K387 PolarHBondContact O-N 2.99Å |
| 384 | L | 94.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 174.2 | 179.2 | 54.3 | 0 | 0 | 0 | 111.5 | V380 H381 K382 R386 K387 L388 W419 I528 L579 F591 | V380-L384 WeakPolarHBondContact O-CB 3.08Å; V380-L384 PolarHBondContact O-N 2.92Å; H381-L384 WeakPolarHBondContact O-CB 3.39Å; H381-L384 PolarHBondContact O-N 2.85Å; K382-L384 VanDerWaalsContact C-N 3.32Å; K382-L384 PolarHBondContact O-N 3.08Å; L384-R386 VanDerWaalsContact C-N 3.32Å; L384-R386 PolarHBondContact O-N 3.09Å; L384-K387 WeakPolarHBondContact O-CA 3.2Å; L384-K387 WeakPolarHBondContact O-CB 3.06Å; L384-K387 PolarHBondContact O-N 2.76Å; L384-K387 VanDerWaalsContact O-N 3.07Å; L384-L388 HydrophobicContact CD1-CG 4.34Å; L384-L388 WeakPolarHBondContact O-CG 3.45Å; L384-L388 PolarHBondContact O-N 2.78Å; L384-W419 HydrophobicContact CD2-CH2 3.51Å; L384-W419 HydrophobicContact CD2-CZ2 3.4Å; L384-W419 HydrophobicContact CD2-CZ3 4.45Å; L384-I528 HydrophobicContact CD1-CD1 4Å; L384-I528 HydrophobicContact CD2-CD1 4.13Å; L384-I528 HydrophobicContact CG-CD1 4.4Å; L384-L579 HydrophobicContact CD1-CD2 3.32Å; L384-L579 HydrophobicContact CD2-CD2 4.47Å; L384-L579 HydrophobicContact CG-CD2 4.5Å; L384-F591 HydrophobicContact CB-CE1 4.23Å; L384-F591 HydrophobicContact CB-CZ 3.99Å; L384-F591 HydrophobicContact CD1-CE1 4.5Å; L384-F591 HydrophobicContact CD2-CE1 4.46Å |
| 385 | L | 95.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 179.6 | -63.5 | 174.4 | 0 | 0 | 0 | 112.1 | H381 K382 K387 L388 A389 W419 L422 L429 I432 | H381-L385 WeakPolarHBondContact O-CG 3.3Å; H381-L385 PolarHBondContact O-N 3.27Å; K382-L385 PolarHBondContact O-N 2.89Å; L385-K387 VanDerWaalsContact C-N 3.33Å; L385-K387 PolarHBondContact O-N 2.94Å; L385-L388 PolarHBondContact O-N 2.91Å; L385-A389 VanDerWaalsContact O-CB 3.32Å; L385-A389 WeakPolarHBondContact O-CB 3.42Å; L385-A389 PolarHBondContact O-N 2.88Å; L385-W419 HydrophobicContact CD1-CB 4.29Å; L385-W419 HydrophobicContact CD1-CG 4.33Å; L385-W419 HydrophobicContact CD2-CB 3.72Å; L385-W419 HydrophobicContact CD2-CD2 3.98Å; L385-W419 HydrophobicContact CD2-CE3 4.36Å; L385-W419 HydrophobicContact CD2-CG 3.71Å; L385-W419 HydrophobicContact CG-CG 4.38Å; L385-L422 HydrophobicContact CD1-CB 3.78Å; L385-L422 HydrophobicContact CD1-CD1 3.93Å; L385-L429 HydrophobicContact CB-CD1 3.8Å; L385-L429 HydrophobicContact CB-CD2 4.12Å; L385-L429 HydrophobicContact CD1-CD1 4.02Å; L385-I432 HydrophobicContact CD2-CD1 3.61Å |
| 386 | R | 94.5 | Very high | 91.7 | Very high | 112 Ų | 112 | 50.8 Ų | 50.8 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 172.5 | -71.5 | 175.9 | -177.2 | 139.9 | 3 | 112.3 | K382 L384 A389 A390 L429 | K382-R386 WeakPolarHBondContact O-CG 3.13Å; K382-R386 PolarHBondContact O-N 2.86Å; L384-R386 VanDerWaalsContact C-N 3.32Å; L384-R386 PolarHBondContact O-N 3.09Å; R386-A389 PolarHBondContact O-N 3.35Å; R386-A390 WeakPolarHBondContact O-CB 3.44Å; R386-A390 PolarHBondContact O-N 3.26Å; R386-L429 HydrophobicContact CG-CD2 4.06Å |
| 387 | K | 94.6 | Very high | 91.8 | Very high | 100 Ų | 100 | 59.3 Ų | 59.3 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 174.4 | -176.2 | 175.6 | -178.6 | 174.3 | 0 | 111.5 | P383 L384 L385 A390 L391 F526 | P383-K387 PolarHBondContact O-N 2.99Å; L384-K387 WeakPolarHBondContact O-CA 3.2Å; L384-K387 WeakPolarHBondContact O-CB 3.06Å; L384-K387 PolarHBondContact O-N 2.76Å; L384-K387 VanDerWaalsContact O-N 3.07Å; L385-K387 VanDerWaalsContact C-N 3.33Å; L385-K387 PolarHBondContact O-N 2.94Å; K387-A390 PolarHBondContact O-N 3.41Å; K387-L391 PolarHBondContact O-N 2.94Å; K387-F526 HydrophobicContact CD-CZ 4.48Å |
| 388 | L | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 176.7 | -62.2 | -176.9 | 0 | 0 | 0 | 111.7 | L384 L385 A390 L391 Q392 V402 L502 I504 F526 I528 | L384-L388 HydrophobicContact CD1-CG 4.34Å; L384-L388 WeakPolarHBondContact O-CG 3.45Å; L384-L388 PolarHBondContact O-N 2.78Å; L385-L388 PolarHBondContact O-N 2.91Å; L388-A390 VanDerWaalsContact C-N 3.29Å; L388-A390 PolarHBondContact O-N 3.31Å; L388-L391 HydrophobicContact CD2-CD1 4.28Å; L388-L391 WeakPolarHBondContact O-CB 3.31Å; L388-L391 PolarHBondContact O-N 3.14Å; L388-L391 VanDerWaalsContact O-N 3.07Å; L388-Q392 PolarHBondContact O-N 2.89Å; L388-V402 HydrophobicContact CD1-CG1 4.28Å; L388-V402 HydrophobicContact CD1-CG2 4.32Å; L388-V402 HydrophobicContact CD2-CG1 4.13Å; L388-V402 HydrophobicContact CD2-CG2 3.92Å; L388-L502 HydrophobicContact CB-CD1 3.81Å; L388-L502 WeakPolarHBondContact O-CD1 2.84Å; L388-I504 HydrophobicContact CD1-CD1 4.38Å; L388-F526 HydrophobicContact CD2-CB 4.45Å; L388-F526 HydrophobicContact CD2-CD1 3.62Å; L388-F526 HydrophobicContact CD2-CE1 4.16Å; L388-F526 HydrophobicContact CD2-CG 4.19Å; L388-I528 HydrophobicContact CD1-CD1 4.19Å; L388-I528 HydrophobicContact CD2-CD1 4.41Å |
| 389 | A | 94.9 | Very high | 92.2 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 8% | 0.083 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L385 R386 L391 Q392 T393 L429 P430 | L385-A389 VanDerWaalsContact O-CB 3.32Å; L385-A389 WeakPolarHBondContact O-CB 3.42Å; L385-A389 PolarHBondContact O-N 2.88Å; R386-A389 PolarHBondContact O-N 3.35Å; A389-L391 PolarHBondContact O-N 3.01Å; A389-Q392 PolarHBondContact O-N 3.42Å; A389-Q392 VanDerWaalsContact O-N 3.13Å; A389-T393 PolarHBondContact O-N 3.15Å; A389-T393 VanDerWaalsContact O-N 3.1Å; A389-L429 HydrophobicContact CB-CD2 4.01Å; A389-P430 HydrophobicContact CB-CG 3.97Å |
| 390 | A | 94.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.3 | -25.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R386 K387 L388 T393 V394 | R386-A390 WeakPolarHBondContact O-CB 3.44Å; R386-A390 PolarHBondContact O-N 3.26Å; K387-A390 PolarHBondContact O-N 3.41Å; L388-A390 VanDerWaalsContact C-N 3.29Å; L388-A390 PolarHBondContact O-N 3.31Å; A390-T393 PolarHBondContact O-OG1 2.85Å; A390-V394 WeakPolarHBondContact O-CG2 3.31Å |
| 391 | L | 93.6 | Very high | 93 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 31% | 0.314 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.9 | -42 | 171.8 | -65.1 | 171.5 | 0 | 0 | 0 | 111.1 | K387 L388 A389 T393 V394 T400 F526 | K387-L391 PolarHBondContact O-N 2.94Å; L388-L391 HydrophobicContact CD2-CD1 4.28Å; L388-L391 WeakPolarHBondContact O-CB 3.31Å; L388-L391 PolarHBondContact O-N 3.14Å; L388-L391 VanDerWaalsContact O-N 3.07Å; A389-L391 PolarHBondContact O-N 3.01Å; L391-T393 VanDerWaalsContact C-N 3.27Å; L391-T393 PolarHBondContact O-N 3.41Å; L391-V394 WeakPolarHBondContact O-CB 3.31Å; L391-V394 PolarHBondContact O-N 2.93Å; L391-V394 VanDerWaalsContact O-N 3.15Å; L391-T400 HydrophobicContact CB-CG2 4.33Å; L391-F526 HydrophobicContact CD1-CB 3.59Å; L391-F526 HydrophobicContact CD1-CD2 3.63Å; L391-F526 HydrophobicContact CD1-CE2 4.45Å; L391-F526 HydrophobicContact CD1-CG 3.68Å |
| 392 | Q | 93.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 55 Ų | 55 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -32.6 | 177.3 | -179 | 56.4 | 26 | 0 | 0 | 112.6 | L388 A389 V394 N395 P396 R398 T400 P501 L502 | L388-Q392 PolarHBondContact O-N 2.89Å; A389-Q392 PolarHBondContact O-N 3.42Å; A389-Q392 VanDerWaalsContact O-N 3.13Å; Q392-V394 VanDerWaalsContact C-N 3.26Å; Q392-V394 PolarHBondContact O-N 3.29Å; Q392-N395 CarbonylContact O-C 3.58Å; Q392-N395 PolarHBondContact O-N 2.91Å; Q392-P396 WeakPolarHBondContact O-CA 3.36Å; Q392-R398 PolarHBondContact NE2-O 3.49Å; Q392-R398 PolarHBondContact OE1-O 2.74Å; Q392-T400 WeakPolarHBondContact CA-OG1 3.42Å; Q392-T400 PolarHBondContact OE1-OG1 3.07Å; Q392-P501 HydrophobicContact CG-CB 4.24Å; Q392-P501 PolarHBondContact OE1-O 2.75Å; Q392-L502 HydrophobicContact CB-CD1 4.4Å |
| 393 | T | 91.6 | Very high | 93.5 | Very high | 102 Ų | 102 | 52.8 Ų | 52.8 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -70.7 | -18.8 | 177.6 | 59 | 0 | 0 | 0 | 0 | 113.7 | A389 A390 L391 N395 P396 | A389-T393 PolarHBondContact O-N 3.15Å; A389-T393 VanDerWaalsContact O-N 3.1Å; A390-T393 PolarHBondContact O-OG1 2.85Å; L391-T393 VanDerWaalsContact C-N 3.27Å; L391-T393 PolarHBondContact O-N 3.41Å; T393-N395 VanDerWaalsContact C-N 3.34Å; T393-P396 WeakPolarHBondContact O-CD 3.49Å; T393-P396 WeakPolarHBondContact O-CG 3.48Å |
| 394 | V | 91.3 | Very high | 93.8 | Very high | 121 Ų | 121 | 50.4 Ų | 50.4 | 73% | 0.733 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.9 | -36.2 | 175.6 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | A390 L391 Q392 | A390-V394 WeakPolarHBondContact O-CG2 3.31Å; L391-V394 WeakPolarHBondContact O-CB 3.31Å; L391-V394 PolarHBondContact O-N 2.93Å; L391-V394 VanDerWaalsContact O-N 3.15Å; Q392-V394 VanDerWaalsContact C-N 3.26Å; Q392-V394 PolarHBondContact O-N 3.29Å |
| 395 | N | 88.2 | Confident | 93.9 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 43% | 0.428 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -139.7 | 77.3 | 175.2 | -169.5 | -4.2 | 0 | 0 | 0 | 111.4 | Q392 T393 Q397 R398 | Q392-N395 CarbonylContact O-C 3.58Å; Q392-N395 PolarHBondContact O-N 2.91Å; T393-N395 VanDerWaalsContact C-N 3.34Å; N395-Q397 PolarHBondContact O-N 3.01Å; N395-R398 HydrophobicContact CB-CB 4.43Å; N395-R398 PolarHBondContact O-N 2.95Å; N395-R398 VanDerWaalsContact O-O 3.05Å |
| 396 | P | 87.2 | Confident | 93.9 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.9 | -172.8 | -23.2 | 33.8 | 0 | 0 | 0 | 114.7 | Q392 T393 | Q392-P396 WeakPolarHBondContact O-CA 3.36Å; T393-P396 WeakPolarHBondContact O-CD 3.49Å; T393-P396 WeakPolarHBondContact O-CG 3.48Å |
| 397 | Q | 86.7 | Confident | 94 | Very high | 181 Ų | 181 | 44.9 Ų | 44.9 | 85% | 0.846 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -12.9 | -179.2 | -61.3 | -61.6 | -28.6 | 0 | 0 | 113 | N395 | N395-Q397 PolarHBondContact O-N 3.01Š|
| 398 | R | 91 | Very high | 93.9 | Very high | 102 Ų | 102 | 40.8 Ų | 40.8 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -112.2 | 142.3 | 178.1 | 178.7 | -178.9 | 152.4 | -178.9 | -5.3 | 108.8 | Q392 N395 M475 D525 | Q392-R398 PolarHBondContact NE2-O 3.49Å; Q392-R398 PolarHBondContact OE1-O 2.74Å; N395-R398 HydrophobicContact CB-CB 4.43Å; N395-R398 PolarHBondContact O-N 2.95Å; N395-R398 VanDerWaalsContact O-O 3.05Å; R398-M475 HydrophobicContact CG-CE 4.16Å; R398-D525 IonicContact CZ-OD1 3.56Å; R398-D525 IonicContact NH2-OD1 3.87Å; R398-D525 PolarHBondContact NH2-OD1 3.2Å; R398-D525 IonicContact NH2-OD2 2.64Å; R398-D525 PolarHBondContact NH2-OD2 3.21Å |
| 399 | R | 95.2 | Very high | 93.6 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | trans | -68.3 | 131.6 | 171.4 | -176.2 | 175.4 | -71.9 | 145.6 | 0 | 110.4 | V474 G477 D478 V498 A500 P501 V503 | R399-V474 WeakPolarHBondContact CD-O 2.97Å; R399-V474 PolarHBondContact NH1-O 3.45Å; R399-G477 PolarHBondContact NH1-O 2.81Å; R399-G477 PolarHBondContact NH2-O 3.42Å; R399-D478 IonicContact NH2-OD1 2.85Å; R399-D478 PolarHBondContact NH2-OD1 2.98Å; R399-V498 PolarHBondContact NH2-O 3.04Å; R399-V498 VanDerWaalsContact NH2-O 3.11Å; R399-A500 PolarHBondContact NE-O 3.31Å; R399-P501 CarbonylContact C-O 3.51Å; R399-P501 VanDerWaalsContact CA-O 3.26Å; R399-P501 WeakPolarHBondContact CA-O 2.99Å; R399-P501 WeakPolarHBondContact CG-O 3.47Å; R399-V503 HydrophobicContact CG-CG1 4.21Å; R399-V503 HydrophobicContact CG-CG2 4.1Å | ||
| 400 | T | 96.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.1 | 170.9 | -67.7 | 0 | 0 | 0 | 0 | 109.3 | L391 Q392 V402 P501 L502 V503 D525 | L391-T400 HydrophobicContact CB-CG2 4.33Å; Q392-T400 WeakPolarHBondContact CA-OG1 3.42Å; Q392-T400 PolarHBondContact OE1-OG1 3.07Å; T400-V402 HydrophobicContact CG2-CG2 4.09Å; T400-P501 PolarHBondContact N-O 3.42Å; T400-L502 HydrophobicContact CG2-CG 4.46Å; T400-V503 PolarHBondContact O-N 2.73Å; T400-D525 WeakPolarHBondContact CA-OD2 3.16Å; T400-D525 HydrophobicContact CG2-CB 4.02Å |
| 401 | V | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 115.7 | 177.6 | 178.2 | 0 | 0 | 0 | 0 | 110 | F403 L471 V474 M475 V503 V505 F523 D525 F526 | V401-F403 HydrophobicContact CG1-CD1 3.98Å; V401-F403 HydrophobicContact CG1-CE1 3.59Å; V401-L471 HydrophobicContact CG1-CD2 4.38Å; V401-V474 HydrophobicContact CG2-CG1 3.95Å; V401-M475 HydrophobicContact CB-SD 4.28Å; V401-M475 HydrophobicContact CG2-SD 3.32Å; V401-M475 WeakPolarHBondContact CG2-SD 3.48Å; V401-V503 HydrophobicContact CB-CG2 4.2Å; V401-V503 HydrophobicContact CG1-CG2 4.33Å; V401-V503 HydrophobicContact CG2-CG2 3.7Å; V401-V505 HydrophobicContact CG1-CG2 3.97Å; V401-F523 WeakPolarHBondContact CB-O 3.17Å; V401-D525 PolarHBondContact N-OD2 3.44Å; V401-D525 PolarHBondContact O-N 3.38Å; V401-F526 PolarHBondContact O-N 3.46Å |
| 402 | V | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.1 | 177.2 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | L388 T400 L502 V503 I504 V505 F526 I528 | L388-V402 HydrophobicContact CD1-CG1 4.28Å; L388-V402 HydrophobicContact CD1-CG2 4.32Å; L388-V402 HydrophobicContact CD2-CG1 4.13Å; L388-V402 HydrophobicContact CD2-CG2 3.92Å; T400-V402 HydrophobicContact CG2-CG2 4.09Å; V402-L502 HydrophobicContact CG2-CD2 4.08Å; V402-V503 PolarHBondContact N-O 3.38Å; V402-I504 HydrophobicContact CB-CG1 4.23Å; V402-I504 CarbonylContact O-C 3.45Å; V402-I504 WeakPolarHBondContact O-CA 3.41Å; V402-V505 PolarHBondContact O-N 3.09Å; V402-F526 CarbonylContact C-O 3.58Å; V402-F526 WeakPolarHBondContact CA-O 3.35Å; V402-F526 WeakPolarHBondContact CG1-O 3.28Å; V402-F526 HydrophobicContact CG2-CB 4.43Å; V402-I528 HydrophobicContact CG1-CD1 3.92Å; V402-I528 HydrophobicContact CG1-CG1 4.31Å |
| 403 | F | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.7 | 171.1 | -71.8 | -2.2 | 0 | 0 | 0 | 110.3 | V401 L471 V505 L510 L511 L520 C524 F526 S527 I528 | V401-F403 HydrophobicContact CG1-CD1 3.98Å; V401-F403 HydrophobicContact CG1-CE1 3.59Å; F403-L471 HydrophobicContact CE1-CD1 4.42Å; F403-L471 HydrophobicContact CE1-CD2 4.11Å; F403-L471 HydrophobicContact CZ-CD1 3.97Å; F403-L471 HydrophobicContact CZ-CD2 4.45Å; F403-V505 WeakPolarHBondContact CA-O 3.32Å; F403-V505 HydrophobicContact CD1-CB 3.83Å; F403-V505 HydrophobicContact CD1-CG2 4.23Å; F403-V505 HydrophobicContact CE1-CB 4.04Å; F403-V505 HydrophobicContact CE1-CG2 4.1Å; F403-L510 HydrophobicContact CB-CB 4.29Å; F403-L510 HydrophobicContact CB-CD1 4.16Å; F403-L510 HydrophobicContact CD1-CD1 4.45Å; F403-L510 HydrophobicContact CD2-CB 3.91Å; F403-L510 HydrophobicContact CE2-CB 4.49Å; F403-L510 HydrophobicContact CG-CB 4.18Å; F403-L510 HydrophobicContact CG-CD1 4.22Å; F403-L511 HydrophobicContact CD2-CD2 4.36Å; F403-L520 HydrophobicContact CE2-CB 3.91Å; F403-L520 WeakPolarHBondContact CE2-O 3.33Å; F403-L520 HydrophobicContact CZ-CB 4.21Å; F403-L520 WeakPolarHBondContact CZ-O 3.43Å; F403-C524 HydrophobicContact CD1-CB 4.31Å; F403-C524 HydrophobicContact CD2-CB 3.62Å; F403-C524 HydrophobicContact CE1-CB 4.29Å; F403-C524 HydrophobicContact CE2-CB 3.6Å; F403-C524 HydrophobicContact CG-CB 3.99Å; F403-C524 HydrophobicContact CZ-CB 3.94Å; F403-F526 PolarHBondContact N-O 2.83Å; F403-S527 CarbonylContact O-C 3.59Å; F403-S527 WeakPolarHBondContact O-CA 3.41Å; F403-I528 PolarHBondContact O-N 2.84Å |
| 404 | L | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 105.1 | 167.6 | -175.8 | 69.9 | 0 | 0 | 0 | 109.3 | K412 L415 T416 W419 I504 V505 E506 G507 I528 I530 | L404-K412 HydrophobicContact CD2-CB 4.21Å; L404-L415 HydrophobicContact CD2-CD2 4.46Å; L404-T416 HydrophobicContact CD2-CG2 3.33Å; L404-W419 HydrophobicContact CD1-CH2 4.19Å; L404-W419 HydrophobicContact CD1-CZ3 4.46Å; L404-W419 HydrophobicContact CD2-CH2 4.48Å; L404-W419 HydrophobicContact CD2-CZ3 4.32Å; L404-I504 HydrophobicContact CB-CG2 3.88Å; L404-V505 PolarHBondContact N-O 2.85Å; L404-E506 HydrophobicContact CB-CB 4.27Å; L404-E506 WeakPolarHBondContact O-CA 3.48Å; L404-G507 PolarHBondContact O-N 2.75Å; L404-G507 VanDerWaalsContact O-N 3.08Å; L404-I528 WeakPolarHBondContact CA-O 3.25Å; L404-I528 HydrophobicContact CD1-CB 3.67Å; L404-I528 HydrophobicContact CD1-CG2 3.55Å; L404-I530 HydrophobicContact CD1-CD1 4.01Å; L404-I530 HydrophobicContact CD1-CG1 3.94Å; L404-I530 HydrophobicContact CD2-CD1 4.24Å; L404-I530 HydrophobicContact CG-CD1 4.37Å |
| 405 | C | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.3 | 178.1 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | G507 N508 L511 I528 F529 I530 | C405-G507 VanDerWaalsContact CA-O 3.31Å; C405-G507 WeakPolarHBondContact CA-O 3.48Å; C405-N508 PolarHBondContact SG-O 2.83Å; C405-L511 HydrophobicContact CB-CB 4.17Å; C405-L511 HydrophobicContact CB-CD1 3.67Å; C405-L511 HydrophobicContact CB-CG 3.73Å; C405-I528 PolarHBondContact N-O 2.89Å; C405-F529 HydrophobicContact CB-CD2 3.82Å; C405-F529 HydrophobicContact CB-CE2 4.37Å; C405-F529 CarbonylContact O-C 3.47Å; C405-F529 VanDerWaalsContact O-CA 3.27Å; C405-F529 WeakPolarHBondContact O-CA 3.33Å; C405-I530 PolarHBondContact O-N 2.77Å |
| 406 | A | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -156.3 | 147.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T410 K412 G507 N508 I530 | A406-T410 HydrophobicContact CB-CG2 4.15Å; A406-T410 WeakPolarHBondContact CB-OG1 3.16Å; A406-K412 HydrophobicContact CB-CB 4.27Å; A406-K412 HydrophobicContact CB-CD 4.43Å; A406-G507 PolarHBondContact N-O 3.43Å; A406-N508 WeakPolarHBondContact O-CA 3.49Å; A406-N508 PolarHBondContact O-OD1 2.93Å; A406-N508 VanDerWaalsContact O-OD1 3.07Å; A406-I530 HydrophobicContact CB-CB 3.74Å; A406-I530 HydrophobicContact CB-CD1 4.13Å; A406-I530 HydrophobicContact CB-CG1 4.19Å | ||
| 407 | P | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -56.6 | 154.2 | 169.3 | -24.6 | 33.5 | 0 | 0 | 0 | 112.2 | T410 I530 L537 V567 V570 L571 | P407-T410 HydrophobicContact CB-CG2 4.42Å; P407-T410 VanDerWaalsContact O-CG2 3.3Å; P407-T410 WeakPolarHBondContact O-CG2 3.43Å; P407-T410 PolarHBondContact O-OG1 3.4Å; P407-I530 VanDerWaalsContact CD-O 3.23Å; P407-I530 WeakPolarHBondContact CD-O 3.42Å; P407-L537 HydrophobicContact CB-CD1 3.5Å; P407-L537 HydrophobicContact CG-CD1 4.13Å; P407-V567 HydrophobicContact CB-CG1 4.34Å; P407-V567 HydrophobicContact CB-CG2 4.32Å; P407-V570 HydrophobicContact CB-CB 4.42Å; P407-V570 HydrophobicContact CB-CG1 4.39Å; P407-V570 HydrophobicContact CG-CB 4.23Å; P407-V570 HydrophobicContact CG-CG1 3.88Å; P407-L571 HydrophobicContact CG-CD2 3.55Å; P407-L571 HydrophobicContact CG-CG 3.77Å | ||
| 408 | P | 93.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 14 Ų | 14 | 9% | 0.091 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 145 | 173.8 | 27.3 | -34 | 0 | 0 | 0 | 110.9 | L541 N566 V567 | P408-L541 HydrophobicContact CB-CD2 4.17Å; P408-L541 HydrophobicContact CG-CD1 4.49Å; P408-N566 HydrophobicContact CG-CB 4.35Å; P408-V567 HydrophobicContact CG-CG2 3.71Å |
| 409 | G | 88.8 | Confident | 93.7 | Very high | 19 Ų | 19 | 9.4 Ų | 9.4 | 20% | 0.196 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -5.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | R540 | G409-R540 WeakPolarHBondContact O-CD 3.33Š|
| 410 | T | 90.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.012 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -71.3 | -30.4 | 176.5 | 47 | 0 | 0 | 0 | 0 | 113.8 | A406 P407 I530 A532 L537 Y589 | A406-T410 HydrophobicContact CB-CG2 4.15Å; A406-T410 WeakPolarHBondContact CB-OG1 3.16Å; P407-T410 HydrophobicContact CB-CG2 4.42Å; P407-T410 VanDerWaalsContact O-CG2 3.3Å; P407-T410 WeakPolarHBondContact O-CG2 3.43Å; P407-T410 PolarHBondContact O-OG1 3.4Å; T410-I530 HydrophobicContact CG2-CG2 4.17Å; T410-A532 HydrophobicContact CG2-CB 3.72Å; T410-L537 HydrophobicContact CG2-CD2 3.72Å; T410-Y589 PolarHBondContact O-OH 2.87Å |
| 411 | G | 87.7 | Confident | 93.5 | Very high | 31 Ų | 31 | 13.6 Ų | 13.6 | 32% | 0.32 | 8% | 0.081 | S | C | . | . | trans | 96.5 | 20.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | S413 T414 L415 | G411-S413 PolarHBondContact O-N 3.09Å; G411-T414 WeakPolarHBondContact O-CA 3.42Å; G411-T414 WeakPolarHBondContact O-CB 3.29Å; G411-T414 PolarHBondContact O-N 2.93Å; G411-L415 PolarHBondContact O-N 3.18Å | ||
| 412 | K | 92.4 | Very high | 93.3 | Very high | 18 Ų | 18 | 14.4 Ų | 14.4 | 8% | 0.078 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -43 | -48.8 | 179.6 | 55.2 | 176.2 | -157.2 | -75.8 | 0 | 115.7 | L404 A406 T414 L415 T416 E506 N508 | L404-K412 HydrophobicContact CD2-CB 4.21Å; A406-K412 HydrophobicContact CB-CB 4.27Å; A406-K412 HydrophobicContact CB-CD 4.43Å; K412-T414 PolarHBondContact O-N 3.24Å; K412-L415 PolarHBondContact O-N 3.49Å; K412-T416 WeakPolarHBondContact O-CG2 3.45Å; K412-T416 PolarHBondContact O-N 3Å; K412-T416 PolarHBondContact O-OG1 3.2Å; K412-E506 WeakPolarHBondContact CD-OE2 3.37Å; K412-E506 WeakPolarHBondContact CE-OE2 3.38Å; K412-E506 WeakPolarHBondContact CG-OE2 3.39Å; K412-N508 WeakPolarHBondContact CE-OD1 3.43Å; K412-N508 PolarHBondContact NZ-OD1 2.92Å |
| 413 | S | 89.7 | Confident | 93 | Very high | 18 Ų | 18 | 14.8 Ų | 14.8 | 13% | 0.126 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.1 | -35.6 | 179.1 | -40.1 | 0 | 0 | 0 | 0 | 112.2 | G411 T416 T417 E506 | G411-S413 PolarHBondContact O-N 3.09Å; S413-T416 WeakPolarHBondContact CA-OG1 3.44Å; S413-T416 PolarHBondContact O-OG1 2.85Å; S413-T417 WeakPolarHBondContact O-CB 3.49Å; S413-T417 PolarHBondContact O-N 2.87Å; S413-T417 VanDerWaalsContact O-N 3.07Å; S413-T417 PolarHBondContact O-OG1 3.37Å; S413-E506 PolarHBondContact OG-OE1 2.85Å; S413-E506 PolarHBondContact OG-OE2 3.13Å |
| 414 | T | 89.8 | Confident | 92.7 | Very high | 31 Ų | 31 | 21.7 Ų | 21.7 | 19% | 0.19 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 174.9 | -54.4 | 0 | 0 | 0 | 0 | 111 | V363 V368 A370 G411 K412 T417 F418 | V363-T414 HydrophobicContact CG2-CG2 4.49Å; V368-T414 HydrophobicContact CG1-CG2 4.3Å; A370-T414 HydrophobicContact CB-CG2 3.89Å; G411-T414 WeakPolarHBondContact O-CA 3.42Å; G411-T414 WeakPolarHBondContact O-CB 3.29Å; G411-T414 PolarHBondContact O-N 2.93Å; K412-T414 PolarHBondContact O-N 3.24Å; T414-T417 PolarHBondContact O-N 3.39Å; T414-F418 WeakPolarHBondContact O-CB 3.48Å; T414-F418 PolarHBondContact O-N 2.98Å |
| 415 | L | 92.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 179.7 | 178.8 | 64.1 | 0 | 0 | 0 | 112.4 | Y372 H381 L404 G411 K412 F418 W419 I530 Y589 | Y372-L415 HydrophobicContact CE1-CD1 4.21Å; H381-L415 VanDerWaalsContact CE1-CD1 3.44Å; H381-L415 WeakPolarHBondContact CE1-CD1 3.44Å; L404-L415 HydrophobicContact CD2-CD2 4.46Å; G411-L415 PolarHBondContact O-N 3.18Å; K412-L415 PolarHBondContact O-N 3.49Å; L415-F418 WeakPolarHBondContact O-CB 3.22Å; L415-F418 PolarHBondContact O-N 3.38Å; L415-W419 HydrophobicContact CD1-CZ2 4.11Å; L415-W419 HydrophobicContact CD2-CH2 4.16Å; L415-W419 HydrophobicContact CD2-CZ2 3.75Å; L415-W419 HydrophobicContact CG-CD2 4.43Å; L415-W419 HydrophobicContact CG-CH2 4.44Å; L415-W419 HydrophobicContact CG-CZ2 3.82Å; L415-W419 PolarHBondContact O-N 3.25Å; L415-I530 HydrophobicContact CD2-CD1 3.63Å; L415-Y589 HydrophobicContact CD1-CD2 4.32Å; L415-Y589 HydrophobicContact CD1-CE2 4.12Å; L415-Y589 HydrophobicContact CD2-CE1 4.27Å; L415-Y589 HydrophobicContact CD2-CE2 4.33Å |
| 416 | T | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.9 | -37.6 | 179.6 | 44.3 | 0 | 0 | 0 | 0 | 112.2 | L404 K412 S413 F418 W419 E420 T434 I504 E506 | L404-T416 HydrophobicContact CD2-CG2 3.33Å; K412-T416 WeakPolarHBondContact O-CG2 3.45Å; K412-T416 PolarHBondContact O-N 3Å; K412-T416 PolarHBondContact O-OG1 3.2Å; S413-T416 WeakPolarHBondContact CA-OG1 3.44Å; S413-T416 PolarHBondContact O-OG1 2.85Å; T416-F418 VanDerWaalsContact C-N 3.28Å; T416-F418 PolarHBondContact O-N 2.83Å; T416-W419 HydrophobicContact CG2-CE3 4.09Å; T416-W419 HydrophobicContact CG2-CZ3 4.24Å; T416-W419 WeakPolarHBondContact O-CB 3.42Å; T416-W419 PolarHBondContact O-N 3.08Å; T416-W419 VanDerWaalsContact O-N 3.09Å; T416-E420 PolarHBondContact O-N 3.07Å; T416-T434 WeakPolarHBondContact CB-OG1 3.18Å; T416-T434 HydrophobicContact CG2-CG2 4.39Å; T416-T434 PolarHBondContact O-OG1 3.01Å; T416-T434 WeakPolarHBondContact OG1-CG2 3.34Å; T416-I504 HydrophobicContact CG2-CB 4.45Å; T416-I504 HydrophobicContact CG2-CG2 3.74Å; T416-E506 HydrophobicContact CG2-CB 4.29Å |
| 417 | T | 91.6 | Very high | 91.6 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 15% | 0.153 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 169.5 | -52.1 | 0 | 0 | 0 | 0 | 111.3 | L361 V363 S413 T414 W419 E420 Y421 | L361-T417 HydrophobicContact CB-CG2 4.11Å; L361-T417 HydrophobicContact CD1-CG2 4.45Å; L361-T417 HydrophobicContact CD2-CG2 4.29Å; V363-T417 HydrophobicContact CG2-CG2 4.24Å; S413-T417 WeakPolarHBondContact O-CB 3.49Å; S413-T417 PolarHBondContact O-N 2.87Å; S413-T417 VanDerWaalsContact O-N 3.07Å; S413-T417 PolarHBondContact O-OG1 3.37Å; T414-T417 PolarHBondContact O-N 3.39Å; T417-W419 VanDerWaalsContact C-N 3.33Å; T417-W419 PolarHBondContact O-N 3.25Å; T417-E420 WeakPolarHBondContact O-CB 3.31Å; T417-E420 PolarHBondContact O-N 3.06Å; T417-Y421 PolarHBondContact O-N 3.18Å |
| 418 | F | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -36 | 173.4 | 174.2 | -122.9 | 0 | 0 | 0 | 112.3 | I359 L361 Y372 I377 H381 T414 L415 T416 Y421 L422 | I359-F418 HydrophobicContact CD1-CD2 3.6Å; I359-F418 HydrophobicContact CD1-CE2 3.23Å; I359-F418 HydrophobicContact CD1-CZ 4.32Å; L361-F418 HydrophobicContact CD1-CB 3.8Å; Y372-F418 HydrophobicContact CD1-CD1 4.49Å; Y372-F418 HydrophobicContact CD1-CE1 4.33Å; Y372-F418 AromaticContact CD2-CD1 3.56Å; Y372-F418 HydrophobicContact CD2-CD1 3.56Å; Y372-F418 HydrophobicContact CD2-CD2 4.1Å; Y372-F418 AromaticContact CD2-CE1 3.56Å; Y372-F418 HydrophobicContact CD2-CE1 3.56Å; Y372-F418 HydrophobicContact CD2-CE2 4.14Å; Y372-F418 AromaticContact CD2-CG 3.83Å; Y372-F418 HydrophobicContact CD2-CG 3.83Å; Y372-F418 AromaticContact CD2-CZ 3.86Å; Y372-F418 HydrophobicContact CD2-CZ 3.86Å; Y372-F418 HydrophobicContact CE1-CD1 4.37Å; Y372-F418 HydrophobicContact CE2-CB 3.89Å; Y372-F418 AromaticContact CE2-CD1 3.41Å; Y372-F418 HydrophobicContact CE2-CD1 3.41Å; Y372-F418 VanDerWaalsContact CE2-CD1 3.41Å; Y372-F418 HydrophobicContact CE2-CD2 4.15Å; Y372-F418 AromaticContact CE2-CE1 3.93Å; Y372-F418 HydrophobicContact CE2-CE1 3.93Å; Y372-F418 AromaticContact CE2-CG 3.53Å; Y372-F418 HydrophobicContact CE2-CG 3.53Å; Y372-F418 HydrophobicContact CG-CD1 4.12Å; Y372-F418 AromaticContact CG-CE1 3.78Å; Y372-F418 HydrophobicContact CG-CE1 3.78Å; Y372-F418 HydrophobicContact CG-CZ 4.21Å; Y372-F418 AromaticContact CZ-CD1 3.86Å; I377-F418 HydrophobicContact CD1-CZ 3.83Å; I377-F418 HydrophobicContact CG1-CE1 4.27Å; I377-F418 HydrophobicContact CG1-CZ 3.8Å; I377-F418 HydrophobicContact CG2-CZ 4.47Å; H381-F418 HydrophobicContact CB-CE1 4.42Å; H381-F418 AromaticContact CD2-CE1 3.59Å; T414-F418 WeakPolarHBondContact O-CB 3.48Å; T414-F418 PolarHBondContact O-N 2.98Å; L415-F418 WeakPolarHBondContact O-CB 3.22Å; L415-F418 PolarHBondContact O-N 3.38Å; T416-F418 VanDerWaalsContact C-N 3.28Å; T416-F418 PolarHBondContact O-N 2.83Å; F418-Y421 HydrophobicContact CD2-CD1 4.17Å; F418-Y421 HydrophobicContact CE2-CD1 4.14Å; F418-Y421 WeakPolarHBondContact O-CB 3.37Å; F418-Y421 PolarHBondContact O-N 3Å; F418-L422 HydrophobicContact CD1-CD1 4.24Å; F418-L422 HydrophobicContact CD2-CG 4.27Å; F418-L422 HydrophobicContact CE1-CD1 3.61Å; F418-L422 HydrophobicContact CE1-CG 4.13Å; F418-L422 HydrophobicContact CE2-CD1 4.11Å; F418-L422 HydrophobicContact CE2-CD2 3.77Å; F418-L422 HydrophobicContact CE2-CG 3.69Å; F418-L422 HydrophobicContact CZ-CD1 3.53Å; F418-L422 HydrophobicContact CZ-CD2 3.74Å; F418-L422 HydrophobicContact CZ-CG 3.64Å; F418-L422 WeakPolarHBondContact O-CG 3.36Å; F418-L422 PolarHBondContact O-N 3.01Å |
| 419 | W | 95 | Very high | 91.3 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 173.8 | -69.4 | -9.8 | 0 | 0 | 0 | 113.5 | H381 L384 L385 L404 L415 T416 T417 Y421 L422 A423 I504 I528 | H381-W419 AromaticContact CG-NE1 3.83Å; H381-W419 AromaticContact ND1-NE1 3.28Å; H381-W419 PolarHBondContact ND1-NE1 2.82Å; L384-W419 HydrophobicContact CD2-CH2 3.51Å; L384-W419 HydrophobicContact CD2-CZ2 3.4Å; L384-W419 HydrophobicContact CD2-CZ3 4.45Å; L385-W419 HydrophobicContact CD1-CB 4.29Å; L385-W419 HydrophobicContact CD1-CG 4.33Å; L385-W419 HydrophobicContact CD2-CB 3.72Å; L385-W419 HydrophobicContact CD2-CD2 3.98Å; L385-W419 HydrophobicContact CD2-CE3 4.36Å; L385-W419 HydrophobicContact CD2-CG 3.71Å; L385-W419 HydrophobicContact CG-CG 4.38Å; L404-W419 HydrophobicContact CD1-CH2 4.19Å; L404-W419 HydrophobicContact CD1-CZ3 4.46Å; L404-W419 HydrophobicContact CD2-CH2 4.48Å; L404-W419 HydrophobicContact CD2-CZ3 4.32Å; L415-W419 HydrophobicContact CD1-CZ2 4.11Å; L415-W419 HydrophobicContact CD2-CH2 4.16Å; L415-W419 HydrophobicContact CD2-CZ2 3.75Å; L415-W419 HydrophobicContact CG-CD2 4.43Å; L415-W419 HydrophobicContact CG-CH2 4.44Å; L415-W419 HydrophobicContact CG-CZ2 3.82Å; L415-W419 PolarHBondContact O-N 3.25Å; T416-W419 HydrophobicContact CG2-CE3 4.09Å; T416-W419 HydrophobicContact CG2-CZ3 4.24Å; T416-W419 WeakPolarHBondContact O-CB 3.42Å; T416-W419 PolarHBondContact O-N 3.08Å; T416-W419 VanDerWaalsContact O-N 3.09Å; T417-W419 VanDerWaalsContact C-N 3.33Å; T417-W419 PolarHBondContact O-N 3.25Å; W419-Y421 VanDerWaalsContact C-N 3.32Å; W419-L422 PolarHBondContact O-N 3.03Å; W419-A423 WeakPolarHBondContact O-CB 3.37Å; W419-A423 PolarHBondContact O-N 2.96Å; W419-I504 HydrophobicContact CE3-CD1 3.47Å; W419-I504 VanDerWaalsContact CE3-CD1 3.47Å; W419-I504 HydrophobicContact CZ3-CD1 3.93Å; W419-I528 HydrophobicContact CH2-CD1 4.11Å; W419-I528 HydrophobicContact CZ3-CD1 4.22Å |
| 420 | E | 93.9 | Very high | 91.6 | Very high | 43 Ų | 43 | 43.2 Ų | 43.2 | 20% | 0.201 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -46 | 169.4 | -65.2 | -177.8 | -167.4 | 0 | 0 | 111.1 | T416 T417 L422 A423 Q424 I432 T434 | T416-E420 PolarHBondContact O-N 3.07Å; T417-E420 WeakPolarHBondContact O-CB 3.31Å; T417-E420 PolarHBondContact O-N 3.06Å; E420-L422 PolarHBondContact O-N 2.85Å; E420-A423 PolarHBondContact O-N 2.83Å; E420-Q424 WeakPolarHBondContact O-CG 3.43Å; E420-Q424 PolarHBondContact O-N 3.1Å; E420-I432 HydrophobicContact CG-CG2 4.39Å; E420-I432 WeakPolarHBondContact CG-O 3.45Å; E420-T434 WeakPolarHBondContact OE1-CA 3.31Å; E420-T434 WeakPolarHBondContact OE1-CB 3.38Å; E420-T434 PolarHBondContact OE1-N 3.32Å; E420-T434 PolarHBondContact OE1-OG1 3.47Å |
| 421 | Y | 91.9 | Very high | 91.8 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 31% | 0.306 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 176.3 | 172.4 | -93 | 0 | 0 | 0 | 111.4 | I359 L361 T417 F418 W419 A423 Q424 Q425 | I359-Y421 HydrophobicContact CD1-CD1 3.86Å; I359-Y421 HydrophobicContact CD1-CE1 3.61Å; I359-Y421 HydrophobicContact CG1-CE1 4.32Å; I359-Y421 HydrophobicContact CG2-CD1 4.39Å; I359-Y421 HydrophobicContact CG2-CD2 4.32Å; I359-Y421 HydrophobicContact CG2-CE1 4.31Å; I359-Y421 HydrophobicContact CG2-CE2 4.22Å; I359-Y421 HydrophobicContact CG2-CG 4.4Å; L361-Y421 HydrophobicContact CD2-CG 4.37Å; T417-Y421 PolarHBondContact O-N 3.18Å; F418-Y421 HydrophobicContact CD2-CD1 4.17Å; F418-Y421 HydrophobicContact CE2-CD1 4.14Å; F418-Y421 WeakPolarHBondContact O-CB 3.37Å; F418-Y421 PolarHBondContact O-N 3Å; W419-Y421 VanDerWaalsContact C-N 3.32Å; Y421-A423 VanDerWaalsContact C-N 3.34Å; Y421-A423 PolarHBondContact O-N 2.89Å; Y421-Q424 PolarHBondContact O-N 2.77Å; Y421-Q425 HydrophobicContact CE1-CG 4.15Å; Y421-Q425 HydrophobicContact CE2-CG 4.35Å; Y421-Q425 WeakPolarHBondContact O-CG 3.35Å; Y421-Q425 PolarHBondContact O-N 2.77Å |
| 422 | L | 92.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | 176.7 | -72.2 | -179.1 | 0 | 0 | 0 | 112.4 | I377 H381 L385 F418 W419 E420 Q424 Q425 D426 | I377-L422 HydrophobicContact CG2-CD1 4.24Å; I377-L422 HydrophobicContact CG2-CD2 4.01Å; H381-L422 HydrophobicContact CB-CD1 3.84Å; L385-L422 HydrophobicContact CD1-CB 3.78Å; L385-L422 HydrophobicContact CD1-CD1 3.93Å; F418-L422 HydrophobicContact CD1-CD1 4.24Å; F418-L422 HydrophobicContact CD2-CG 4.27Å; F418-L422 HydrophobicContact CE1-CD1 3.61Å; F418-L422 HydrophobicContact CE1-CG 4.13Å; F418-L422 HydrophobicContact CE2-CD1 4.11Å; F418-L422 HydrophobicContact CE2-CD2 3.77Å; F418-L422 HydrophobicContact CE2-CG 3.69Å; F418-L422 HydrophobicContact CZ-CD1 3.53Å; F418-L422 HydrophobicContact CZ-CD2 3.74Å; F418-L422 HydrophobicContact CZ-CG 3.64Å; F418-L422 WeakPolarHBondContact O-CG 3.36Å; F418-L422 PolarHBondContact O-N 3.01Å; W419-L422 PolarHBondContact O-N 3.03Å; E420-L422 PolarHBondContact O-N 2.85Å; L422-Q424 VanDerWaalsContact C-N 3.33Å; L422-Q424 PolarHBondContact O-N 2.87Å; L422-Q425 PolarHBondContact O-N 2.73Å; L422-D426 PolarHBondContact O-N 2.65Å; L422-D426 VanDerWaalsContact O-N 3.15Å |
| 423 | A | 93.3 | Very high | 92.4 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -33.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W419 E420 Y421 Q425 L429 I432 | W419-A423 WeakPolarHBondContact O-CB 3.37Å; W419-A423 PolarHBondContact O-N 2.96Å; E420-A423 PolarHBondContact O-N 2.83Å; Y421-A423 VanDerWaalsContact C-N 3.34Å; Y421-A423 PolarHBondContact O-N 2.89Å; A423-Q425 VanDerWaalsContact C-N 3.27Å; A423-Q425 PolarHBondContact O-N 2.71Å; A423-L429 HydrophobicContact CB-CB 4.2Å; A423-L429 HydrophobicContact CB-CD1 4.39Å; A423-I432 HydrophobicContact CB-CB 4.21Å; A423-I432 HydrophobicContact CB-CD1 3.85Å; A423-I432 HydrophobicContact CB-CG1 3.83Å |
| 424 | Q | 91.2 | Very high | 92.7 | Very high | 145 Ų | 145 | 45.6 Ų | 45.6 | 68% | 0.678 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68.5 | -26 | 174.3 | -71.5 | 172.3 | 13.1 | 0 | 0 | 113 | E420 Y421 L422 | E420-Q424 WeakPolarHBondContact O-CG 3.43Å; E420-Q424 PolarHBondContact O-N 3.1Å; Y421-Q424 PolarHBondContact O-N 2.77Å; L422-Q424 VanDerWaalsContact C-N 3.33Å; L422-Q424 PolarHBondContact O-N 2.87Å |
| 425 | Q | 88.3 | Confident | 93 | Very high | 124 Ų | 124 | 44.1 Ų | 44.1 | 58% | 0.579 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -90.3 | -16.1 | -179.9 | -61.2 | -60.3 | -38.6 | 0 | 0 | 113.5 | Y421 L422 A423 | Y421-Q425 HydrophobicContact CE1-CG 4.15Å; Y421-Q425 HydrophobicContact CE2-CG 4.35Å; Y421-Q425 WeakPolarHBondContact O-CG 3.35Å; Y421-Q425 PolarHBondContact O-N 2.77Å; L422-Q425 PolarHBondContact O-N 2.73Å; A423-Q425 VanDerWaalsContact C-N 3.27Å; A423-Q425 PolarHBondContact O-N 2.71Å |
| 426 | D | 89.9 | Confident | 93.1 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | trans | -114.4 | 103 | -178.4 | -169.7 | -19.5 | 0 | 0 | 0 | 110.6 | L422 E428 L429 | L422-D426 PolarHBondContact O-N 2.65Å; L422-D426 VanDerWaalsContact O-N 3.15Å; D426-E428 PolarHBondContact O-N 3.41Å; D426-E428 WeakPolarHBondContact OD1-CB 3.49Å; D426-E428 PolarHBondContact OD1-N 3.09Å; D426-L429 HydrophobicContact CB-CD1 3.96Å; D426-L429 HydrophobicContact CB-CG 4.04Å; D426-L429 PolarHBondContact O-N 2.98Å | ||
| 427 | P | 88.7 | Confident | 93.1 | Very high | 133 Ų | 133 | 44.2 Ų | 44.2 | 86% | 0.864 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -14.7 | 179.8 | -23.9 | 33.8 | 0 | 0 | 0 | 115.1 | L429 | P427-L429 VanDerWaalsContact C-N 3.33Š|
| 428 | E | 90.2 | Very high | 93.2 | Very high | 157 Ų | 157 | 44.8 Ų | 44.8 | 73% | 0.734 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.9 | 176.2 | -59.4 | -170.7 | 160.7 | 0 | 0 | 112.8 | D426 | D426-E428 PolarHBondContact O-N 3.41Å; D426-E428 WeakPolarHBondContact OD1-CB 3.49Å; D426-E428 PolarHBondContact OD1-N 3.09Å |
| 429 | L | 93 | Very high | 93.2 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -92.3 | 141.2 | 178.5 | -63.2 | -179.6 | 0 | 0 | 0 | 111 | L385 R386 A389 A423 D426 P427 | L385-L429 HydrophobicContact CB-CD1 3.8Å; L385-L429 HydrophobicContact CB-CD2 4.12Å; L385-L429 HydrophobicContact CD1-CD1 4.02Å; R386-L429 HydrophobicContact CG-CD2 4.06Å; A389-L429 HydrophobicContact CB-CD2 4.01Å; A423-L429 HydrophobicContact CB-CB 4.2Å; A423-L429 HydrophobicContact CB-CD1 4.39Å; D426-L429 HydrophobicContact CB-CD1 3.96Å; D426-L429 HydrophobicContact CB-CG 4.04Å; D426-L429 PolarHBondContact O-N 2.98Å; P427-L429 VanDerWaalsContact C-N 3.33Å |
| 430 | P | 93.8 | Very high | 93.3 | Very high | 30 Ų | 30 | 44.6 Ų | 44.6 | 20% | 0.195 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 156.7 | 170.5 | 30.8 | -34.7 | 0 | 0 | 0 | 109.7 | A389 I432 P501 L502 | A389-P430 HydrophobicContact CB-CG 3.97Å; P430-I432 WeakPolarHBondContact O-CG1 3.49Å; P430-I432 PolarHBondContact O-N 3.2Å; P430-P501 HydrophobicContact CB-CG 4.07Å; P430-L502 HydrophobicContact CG-CB 4.42Å; P430-L502 HydrophobicContact CG-CD1 4.24Å |
| 431 | A | 95.1 | Very high | 93.4 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 52% | 0.521 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -58.1 | 132.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | P501 | A431-P501 WeakPolarHBondContact O-CD 3.06Š|
| 432 | I | 96.5 | Very high | 93.6 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.5 | 179.4 | -59.1 | -176.1 | 0 | 0 | 0 | 108.4 | L385 E420 A423 P430 L502 I504 | L385-I432 HydrophobicContact CD2-CD1 3.61Å; E420-I432 HydrophobicContact CG-CG2 4.39Å; E420-I432 WeakPolarHBondContact CG-O 3.45Å; A423-I432 HydrophobicContact CB-CB 4.21Å; A423-I432 HydrophobicContact CB-CD1 3.85Å; A423-I432 HydrophobicContact CB-CG1 3.83Å; P430-I432 WeakPolarHBondContact O-CG1 3.49Å; P430-I432 PolarHBondContact O-N 3.2Å; I432-L502 WeakPolarHBondContact CA-O 3.19Å; I432-L502 HydrophobicContact CD1-CD2 4.4Å; I432-L502 HydrophobicContact CG1-CB 4.46Å; I432-L502 HydrophobicContact CG1-CD2 4.15Å; I432-L502 HydrophobicContact CG2-CD2 4.1Å; I432-I504 HydrophobicContact CG2-CD1 3.62Å; I432-I504 HydrophobicContact CG2-CG1 3.86Å |
| 433 | Q | 96.1 | Very high | 93.8 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132.4 | 173.4 | -175.3 | 175.9 | -1.6 | 0 | 0 | 111.7 | L435 H497 T499 A500 L502 V503 I504 | Q433-L435 HydrophobicContact CG-CD2 4.15Å; Q433-H497 PolarHBondContact NE2-O 3.38Å; Q433-H497 PolarHBondContact OE1-O 3.09Å; Q433-T499 VanDerWaalsContact OE1-N 3.11Å; Q433-A500 HydrophobicContact CB-CB 3.48Å; Q433-A500 VanDerWaalsContact CB-CB 3.48Å; Q433-L502 PolarHBondContact N-O 3.29Å; Q433-L502 VanDerWaalsContact N-O 3.07Å; Q433-V503 HydrophobicContact CB-CG1 4.37Å; Q433-V503 CarbonylContact O-C 3.53Å; Q433-V503 VanDerWaalsContact O-CA 3.24Å; Q433-V503 WeakPolarHBondContact O-CA 3.3Å; Q433-I504 PolarHBondContact O-N 2.92Å |
| 434 | T | 95.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.3 | -179.7 | -54.3 | 0 | 0 | 0 | 0 | 109.3 | T416 E420 I504 E506 | T416-T434 WeakPolarHBondContact CB-OG1 3.18Å; T416-T434 HydrophobicContact CG2-CG2 4.39Å; T416-T434 PolarHBondContact O-OG1 3.01Å; T416-T434 WeakPolarHBondContact OG1-CG2 3.34Å; E420-T434 WeakPolarHBondContact OE1-CA 3.31Å; E420-T434 WeakPolarHBondContact OE1-CB 3.38Å; E420-T434 PolarHBondContact OE1-N 3.32Å; E420-T434 PolarHBondContact OE1-OG1 3.47Å; T434-I504 CarbonylContact C-O 3.56Å; T434-I504 WeakPolarHBondContact CA-O 3.28Å; T434-E506 HydrophobicContact CG2-CG 3.68Å |
| 435 | L | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 99.9 | -179.6 | -59.1 | -175.8 | 0 | 0 | 0 | 109 | Q433 M437 V474 W481 V498 V503 I504 V505 E506 | Q433-L435 HydrophobicContact CG-CD2 4.15Å; L435-M437 PolarHBondContact O-N 2.79Å; L435-V474 HydrophobicContact CD1-CG1 4.49Å; L435-V474 HydrophobicContact CD1-CG2 4.16Å; L435-W481 HydrophobicContact CB-CD2 4.01Å; L435-W481 HydrophobicContact CB-CG 4.28Å; L435-W481 HydrophobicContact CB-CZ2 4.03Å; L435-W481 HydrophobicContact CD1-CD2 4.1Å; L435-W481 HydrophobicContact CD1-CE3 4Å; L435-W481 HydrophobicContact CD1-CZ3 4.28Å; L435-W481 HydrophobicContact CD2-CB 4.16Å; L435-W481 HydrophobicContact CD2-CD2 4.32Å; L435-W481 HydrophobicContact CD2-CG 4.01Å; L435-W481 HydrophobicContact CG-CD2 4.37Å; L435-V498 HydrophobicContact CD1-CG1 4.01Å; L435-V498 HydrophobicContact CD1-CG2 4.22Å; L435-V498 HydrophobicContact CD2-CG1 4.27Å; L435-V498 HydrophobicContact CD2-CG2 3.64Å; L435-V503 HydrophobicContact CD1-CB 3.78Å; L435-V503 HydrophobicContact CD1-CG1 4.06Å; L435-V503 HydrophobicContact CD1-CG2 4.06Å; L435-V503 HydrophobicContact CG-CB 4.23Å; L435-I504 PolarHBondContact N-O 2.79Å; L435-V505 HydrophobicContact CB-CG2 4.19Å; L435-V505 HydrophobicContact CD1-CG2 4.27Å; L435-V505 VanDerWaalsContact O-CA 3.31Å; L435-V505 WeakPolarHBondContact O-CA 3.49Å; L435-E506 PolarHBondContact O-N 3.08Å |
| 436 | P | 95.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 131 | -178.2 | 27.9 | -33.2 | 0 | 0 | 0 | 111 | D438 W481 Q483 L496 E506 | P436-D438 PolarHBondContact O-N 2.7Å; P436-W481 PolarHBondContact O-NE1 3.03Å; P436-Q483 HydrophobicContact CG-CG 4.04Å; P436-L496 HydrophobicContact CG-CD1 4.35Å; P436-E506 WeakPolarHBondContact CB-OE1 3.13Å |
| 437 | M | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -68.2 | -20.1 | 173.5 | -170.3 | -170.5 | 87.7 | 0 | 0 | 112.3 | L435 G439 F440 F462 L467 E506 W509 L510 W517 | L435-M437 PolarHBondContact O-N 2.79Å; M437-G439 PolarHBondContact O-N 3.36Å; M437-G439 VanDerWaalsContact O-N 3.07Å; M437-F440 WeakPolarHBondContact O-CB 3.29Å; M437-F440 WeakPolarHBondContact O-CD2 3.41Å; M437-F440 PolarHBondContact O-N 3.48Å; M437-F462 HydrophobicContact CE-CD1 3.69Å; M437-F462 HydrophobicContact CE-CD2 4.17Å; M437-F462 HydrophobicContact CE-CE1 3.27Å; M437-F462 HydrophobicContact CE-CE2 3.81Å; M437-F462 HydrophobicContact CE-CG 4.12Å; M437-F462 HydrophobicContact CE-CZ 3.32Å; M437-F462 HydrophobicContact CG-CD1 4.27Å; M437-F462 HydrophobicContact CG-CE1 4.15Å; M437-F462 WeakPolarHBondContact O-CE1 3.41Å; M437-L467 HydrophobicContact CG-CD2 3.94Å; M437-L467 HydrophobicContact SD-CD2 4.37Å; M437-E506 VanDerWaalsContact CB-O 3.25Å; M437-E506 WeakPolarHBondContact CB-O 3.13Å; M437-E506 PolarHBondContact N-O 3.09Å; M437-W509 HydrophobicContact CE-CB 4.04Å; M437-W509 VanDerWaalsContact CE-CD1 3.42Å; M437-W509 HydrophobicContact CE-CG 4.04Å; M437-W509 HydrophobicContact SD-CB 4.33Å; M437-L510 HydrophobicContact CG-CD2 4.26Å; M437-L510 HydrophobicContact SD-CD2 3.76Å; M437-L510 HydrophobicContact SD-CG 4.01Å; M437-W517 HydrophobicContact CE-CH2 3.85Å; M437-W517 HydrophobicContact CE-CZ3 4.16Å; M437-W517 HydrophobicContact SD-CH2 3.81Å; M437-W517 HydrophobicContact SD-CZ3 3.53Å; M437-W517 VanDerWaalsContact SD-CZ3 3.53Å |
| 438 | D | 92.8 | Very high | 94.9 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 20% | 0.198 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -59.5 | -23 | -176.8 | -75.6 | -8.5 | 0 | 0 | 0 | 113.3 | P436 F440 H441 | P436-D438 PolarHBondContact O-N 2.7Å; D438-F440 PolarHBondContact O-N 3.4Å; D438-H441 PolarHBondContact O-N 3.47Å; D438-H441 PolarHBondContact O-ND1 2.98Å; D438-H441 IonicContact OD1-CE1 3.46Å |
| 439 | G | 93.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -65.9 | -7.3 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | M437 P482 P491 | M437-G439 PolarHBondContact O-N 3.36Å; M437-G439 VanDerWaalsContact O-N 3.07Å; G439-P482 WeakPolarHBondContact O-CB 3.22Å; G439-P491 WeakPolarHBondContact O-CB 3.22Å |
| 440 | F | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -105.4 | 11.8 | 179 | -63.4 | -93.2 | 0 | 0 | 0 | 113.1 | M437 D438 H442 F462 D463 K466 L467 N470 W481 P482 | M437-F440 WeakPolarHBondContact O-CB 3.29Å; M437-F440 WeakPolarHBondContact O-CD2 3.41Å; M437-F440 PolarHBondContact O-N 3.48Å; D438-F440 PolarHBondContact O-N 3.4Å; F440-H442 PolarHBondContact O-N 3.24Å; F440-F462 HydrophobicContact CB-CD1 4.21Å; F440-F462 CarbonylContact O-C 3.47Å; F440-F462 VanDerWaalsContact O-CA 3.29Å; F440-F462 WeakPolarHBondContact O-CA 3.29Å; F440-D463 PolarHBondContact O-N 3.48Å; F440-K466 HydrophobicContact CD1-CB 4.14Å; F440-K466 HydrophobicContact CD1-CD 4.06Å; F440-K466 HydrophobicContact CD1-CG 3.96Å; F440-K466 HydrophobicContact CE1-CB 4.48Å; F440-K466 HydrophobicContact CE1-CD 4.31Å; F440-K466 HydrophobicContact CE1-CG 3.96Å; F440-L467 HydrophobicContact CB-CB 4.42Å; F440-L467 VanDerWaalsContact CD1-CA 3.49Å; F440-L467 HydrophobicContact CD1-CB 3.74Å; F440-L467 HydrophobicContact CD1-CD1 4.23Å; F440-L467 HydrophobicContact CD2-CD1 3.74Å; F440-L467 VanDerWaalsContact CE1-CA 3.46Å; F440-L467 HydrophobicContact CE1-CB 4.12Å; F440-L467 HydrophobicContact CE1-CD1 4.15Å; F440-L467 HydrophobicContact CE2-CD1 3.68Å; F440-L467 HydrophobicContact CG-CB 3.98Å; F440-L467 HydrophobicContact CG-CD1 4.02Å; F440-L467 HydrophobicContact CZ-CD1 3.86Å; F440-N470 HydrophobicContact CE1-CB 3.71Å; F440-N470 HydrophobicContact CZ-CB 3.55Å; F440-W481 HydrophobicContact CD2-CZ2 4.32Å; F440-W481 HydrophobicContact CE2-CD2 4.06Å; F440-W481 AromaticContact CE2-CE2 3.38Å; F440-W481 HydrophobicContact CE2-CH2 4.02Å; F440-W481 AromaticContact CE2-CZ2 3.37Å; F440-W481 HydrophobicContact CE2-CZ2 3.37Å; F440-W481 AromaticContact CE2-NE1 3.59Å; F440-W481 HydrophobicContact CZ-CD2 4.17Å; F440-W481 AromaticContact CZ-CE2 3.92Å; F440-W481 HydrophobicContact CZ-CE3 4.35Å; F440-W481 HydrophobicContact CZ-CH2 4.09Å; F440-W481 AromaticContact CZ-CZ2 3.89Å; F440-W481 HydrophobicContact CZ-CZ2 3.89Å; F440-W481 HydrophobicContact CZ-CZ3 4.31Å; F440-P482 HydrophobicContact CE1-CG 4.13Å; F440-P482 HydrophobicContact CE2-CG 4.33Å; F440-P482 HydrophobicContact CZ-CG 3.91Å |
| 441 | H | 95.5 | Very high | 95.3 | Very high | 17 Ų | 17 | 44 Ų | 44 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -56.9 | 141.8 | 164.6 | -75.6 | 93.2 | 0 | 0 | 0 | 109.7 | D438 T461 F462 P491 | D438-H441 PolarHBondContact O-N 3.47Å; D438-H441 PolarHBondContact O-ND1 2.98Å; D438-H441 IonicContact OD1-CE1 3.46Å; H441-T461 CarbonylContact C-O 3.53Å; H441-T461 WeakPolarHBondContact CA-O 3.4Å; H441-F462 AromaticContact CD2-CE2 3.91Å; H441-F462 AromaticContact CD2-CZ 3.78Å; H441-F462 AromaticContact CE1-CE1 3.49Å; H441-F462 VanDerWaalsContact CE1-CE1 3.49Å; H441-F462 WeakPolarHBondContact CE1-CE1 3.11Å; H441-F462 AromaticContact CE1-CE2 3.96Å; H441-F462 AromaticContact CE1-CZ 3.15Å; H441-F462 WeakPolarHBondContact CE1-CZ 3.38Å; H441-F462 AromaticContact CG-CE1 3.97Å; H441-F462 AromaticContact ND1-CE1 3.59Å; H441-F462 AromaticContact ND1-CZ 3.75Å; H441-F462 AromaticContact NE2-CE1 3.85Å; H441-F462 AromaticContact NE2-CE2 3.52Å; H441-F462 AromaticContact NE2-CZ 3.21Å; H441-F462 WeakPolarHBondContact NE2-CZ 3.37Å; H441-P491 HydrophobicContact CB-CG 4.44Å; H441-P491 WeakPolarHBondContact O-CG 3.47Å |
| 442 | H | 96.5 | Very high | 95.3 | Very high | 31 Ų | 31 | 43 Ų | 43 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 145.9 | 163.6 | -75.5 | -63 | 0 | 0 | 0 | 109.9 | F440 W446 L447 T461 D463 | F440-H442 PolarHBondContact O-N 3.24Å; H442-W446 HydrophobicContact CB-CB 4.23Å; H442-W446 HydrophobicContact CB-CD2 3.77Å; H442-W446 HydrophobicContact CB-CE3 3.34Å; H442-W446 HydrophobicContact CB-CG 4.16Å; H442-W446 HydrophobicContact CB-CZ3 3.96Å; H442-W446 AromaticContact CD2-CE3 3.53Å; H442-W446 AromaticContact CD2-CH2 3.5Å; H442-W446 AromaticContact CD2-CZ2 3.96Å; H442-W446 AromaticContact CD2-CZ3 3.26Å; H442-W446 WeakPolarHBondContact CD2-CZ3 3.23Å; H442-W446 AromaticContact CG-CD2 3.62Å; H442-W446 AromaticContact CG-CE3 3.39Å; H442-W446 AromaticContact CG-CZ3 3.67Å; H442-W446 AromaticContact ND1-CD2 3.86Å; H442-W446 AromaticContact ND1-CE2 3.98Å; H442-W446 AromaticContact NE2-CH2 3.65Å; H442-W446 AromaticContact NE2-CZ2 3.78Å; H442-W446 AromaticContact NE2-CZ3 3.92Å; H442-L447 HydrophobicContact CB-CD2 3.98Å; H442-L447 HydrophobicContact CB-CG 4.18Å; H442-L447 WeakPolarHBondContact O-CD1 2.98Å; H442-T461 PolarHBondContact N-O 3.05Å; H442-D463 VanDerWaalsContact CE1-CB 3.45Å; H442-D463 WeakPolarHBondContact CE1-CB 3.09Å; H442-D463 IonicContact CE1-OD2 2.71Å; H442-D463 IonicContact ND1-OD2 3.2Å |
| 443 | Y | 95.3 | Very high | 95 | Very high | 95 Ų | 95 | 46 Ų | 46 | 37% | 0.373 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -56.1 | 147 | 174.9 | -71.1 | -89.3 | 0 | 0 | 0 | 110.7 | S445 W446 L447 D490 E493 | Y443-S445 PolarHBondContact O-N 2.93Å; Y443-S445 VanDerWaalsContact O-N 3.16Å; Y443-W446 WeakPolarHBondContact O-CA 3.41Å; Y443-W446 WeakPolarHBondContact O-CB 3.45Å; Y443-W446 PolarHBondContact O-N 2.87Å; Y443-L447 PolarHBondContact O-N 2.96Å; Y443-D490 WeakPolarHBondContact CA-OD1 3.44Å; Y443-D490 HydrophobicContact CD1-CB 4.21Å; Y443-E493 WeakPolarHBondContact OH-CG 3.49Å; Y443-E493 PolarHBondContact OH-OE1 3.01Å |
| 444 | N | 93.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -48.4 | -42.7 | 178 | -78 | -19.5 | 0 | 0 | 0 | 113.7 | W446 L447 D448 R453 K456 H489 D490 | N444-W446 VanDerWaalsContact C-N 3.32Å; N444-W446 PolarHBondContact O-N 3.27Å; N444-L447 PolarHBondContact O-N 3.38Å; N444-D448 WeakPolarHBondContact O-CB 3.34Å; N444-D448 PolarHBondContact O-N 3.19Å; N444-R453 PolarHBondContact ND2-NH2 2.93Å; N444-R453 PolarHBondContact OD1-NE 3.37Å; N444-R453 PolarHBondContact OD1-NH1 3.23Å; N444-R453 PolarHBondContact OD1-NH2 3.03Å; N444-K456 PolarHBondContact OD1-NZ 3.43Å; N444-H489 PolarHBondContact ND2-O 3.24Å; N444-H489 PolarHBondContact OD1-O 3.28Å; N444-D490 WeakPolarHBondContact CB-OD1 3.33Å; N444-D490 WeakPolarHBondContact CB-OD2 3.27Å; N444-D490 VanDerWaalsContact CG-CG 3.49Å; N444-D490 PolarHBondContact N-OD1 2.96Å; N444-D490 PolarHBondContact ND2-OD1 2.92Å; N444-D490 PolarHBondContact ND2-OD2 2.84Å |
| 445 | S | 94.6 | Very high | 94.5 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 61% | 0.608 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.6 | -38.9 | 175.7 | 54 | 0 | 0 | 0 | 0 | 113.1 | Y443 A449 | Y443-S445 PolarHBondContact O-N 2.93Å; Y443-S445 VanDerWaalsContact O-N 3.16Å; S445-A449 WeakPolarHBondContact O-CB 3.38Å; S445-A449 PolarHBondContact O-N 3.12Å; S445-A449 VanDerWaalsContact O-N 3.12Å |
| 446 | W | 96.7 | Very high | 94.1 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.8 | -42.7 | 175.2 | -172.7 | 102.9 | 0 | 0 | 0 | 110.8 | H442 Y443 N444 D448 A449 H450 L452 | H442-W446 HydrophobicContact CB-CB 4.23Å; H442-W446 HydrophobicContact CB-CD2 3.77Å; H442-W446 HydrophobicContact CB-CE3 3.34Å; H442-W446 HydrophobicContact CB-CG 4.16Å; H442-W446 HydrophobicContact CB-CZ3 3.96Å; H442-W446 AromaticContact CD2-CE3 3.53Å; H442-W446 AromaticContact CD2-CH2 3.5Å; H442-W446 AromaticContact CD2-CZ2 3.96Å; H442-W446 AromaticContact CD2-CZ3 3.26Å; H442-W446 WeakPolarHBondContact CD2-CZ3 3.23Å; H442-W446 AromaticContact CG-CD2 3.62Å; H442-W446 AromaticContact CG-CE3 3.39Å; H442-W446 AromaticContact CG-CZ3 3.67Å; H442-W446 AromaticContact ND1-CD2 3.86Å; H442-W446 AromaticContact ND1-CE2 3.98Å; H442-W446 AromaticContact NE2-CH2 3.65Å; H442-W446 AromaticContact NE2-CZ2 3.78Å; H442-W446 AromaticContact NE2-CZ3 3.92Å; Y443-W446 WeakPolarHBondContact O-CA 3.41Å; Y443-W446 WeakPolarHBondContact O-CB 3.45Å; Y443-W446 PolarHBondContact O-N 2.87Å; N444-W446 VanDerWaalsContact C-N 3.32Å; N444-W446 PolarHBondContact O-N 3.27Å; W446-D448 VanDerWaalsContact C-N 3.31Å; W446-D448 PolarHBondContact O-N 3.03Å; W446-A449 PolarHBondContact O-N 2.87Å; W446-H450 AromaticContact CD1-CE1 3.75Å; W446-H450 AromaticContact CD2-CE1 3.66Å; W446-H450 AromaticContact CD2-ND1 3.37Å; W446-H450 AromaticContact CE2-CE1 3.2Å; W446-H450 AromaticContact CE2-ND1 3.37Å; W446-H450 AromaticContact CE2-NE2 3.76Å; W446-H450 HydrophobicContact CE3-CB 4.35Å; W446-H450 AromaticContact CE3-ND1 3.7Å; W446-H450 AromaticContact CG-CE1 3.98Å; W446-H450 AromaticContact CG-ND1 3.84Å; W446-H450 HydrophobicContact CH2-CB 4.3Å; W446-H450 AromaticContact CH2-CG 3.84Å; W446-H450 AromaticContact CZ2-CD2 3.81Å; W446-H450 AromaticContact CZ2-CE1 3.55Å; W446-H450 AromaticContact CZ2-CG 3.87Å; W446-H450 AromaticContact CZ2-ND1 3.71Å; W446-H450 AromaticContact CZ2-NE2 3.62Å; W446-H450 HydrophobicContact CZ3-CB 4.07Å; W446-H450 AromaticContact CZ3-CG 3.95Å; W446-H450 AromaticContact NE1-CE1 3.27Å; W446-H450 PolarHBondContact NE1-CE1 3.24Å; W446-H450 VanDerWaalsContact NE1-CE1 3.27Å; W446-H450 AromaticContact NE1-ND1 3.81Å; W446-H450 AromaticContact NE1-NE2 3.97Å; W446-H450 PolarHBondContact O-N 3.08Å; W446-H450 PolarHBondContact O-ND1 3.17Å; W446-L452 HydrophobicContact CH2-CD1 4.31Å; W446-L452 HydrophobicContact CZ3-CD1 3.93Å |
| 447 | L | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 177.2 | -66.8 | 176.4 | 0 | 0 | 0 | 112.1 | H442 Y443 N444 H450 Q451 L452 R453 K456 T461 | H442-L447 HydrophobicContact CB-CD2 3.98Å; H442-L447 HydrophobicContact CB-CG 4.18Å; H442-L447 WeakPolarHBondContact O-CD1 2.98Å; Y443-L447 PolarHBondContact O-N 2.96Å; N444-L447 PolarHBondContact O-N 3.38Å; L447-H450 PolarHBondContact O-N 2.71Å; L447-Q451 PolarHBondContact O-N 3Å; L447-L452 HydrophobicContact CD2-CB 4.07Å; L447-L452 PolarHBondContact O-N 3.39Å; L447-R453 HydrophobicContact CB-CB 4.08Å; L447-R453 PolarHBondContact O-N 3.4Å; L447-K456 HydrophobicContact CD1-CB 4.41Å; L447-K456 HydrophobicContact CD1-CD 3.92Å; L447-K456 HydrophobicContact CD1-CG 3.99Å; L447-T461 HydrophobicContact CD2-CG2 3.95Å |
| 448 | D | 94.3 | Very high | 93.9 | Very high | 93 Ų | 93 | 55.2 Ų | 55.2 | 50% | 0.497 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.1 | -45 | 175.8 | -66.8 | -28.2 | 0 | 0 | 0 | 110.8 | N444 W446 H450 Q451 R453 | N444-D448 WeakPolarHBondContact O-CB 3.34Å; N444-D448 PolarHBondContact O-N 3.19Å; W446-D448 VanDerWaalsContact C-N 3.31Å; W446-D448 PolarHBondContact O-N 3.03Å; D448-H450 PolarHBondContact O-N 2.89Å; D448-Q451 PolarHBondContact O-N 2.85Å; D448-Q451 VanDerWaalsContact O-N 3.11Å; D448-R453 WeakPolarHBondContact OD1-CB 3.27Å; D448-R453 VanDerWaalsContact OD1-CG 3.25Å; D448-R453 WeakPolarHBondContact OD1-CG 3.35Å; D448-R453 IonicContact OD1-NH1 3.86Å; D448-R453 IonicContact OD2-NH1 3.69Å |
| 449 | A | 96.3 | Very high | 94 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 65% | 0.645 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61.4 | -29.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S445 W446 | S445-A449 WeakPolarHBondContact O-CB 3.38Å; S445-A449 PolarHBondContact O-N 3.12Å; S445-A449 VanDerWaalsContact O-N 3.12Å; W446-A449 PolarHBondContact O-N 2.87Å |
| 450 | H | 95.8 | Very high | 94.1 | Very high | 98 Ų | 98 | 58 Ų | 58 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 4.9 | 178.3 | -64.3 | 78.2 | 0 | 0 | 0 | 113.5 | W446 L447 D448 L452 | W446-H450 AromaticContact CD1-CE1 3.75Å; W446-H450 AromaticContact CD2-CE1 3.66Å; W446-H450 AromaticContact CD2-ND1 3.37Å; W446-H450 AromaticContact CE2-CE1 3.2Å; W446-H450 AromaticContact CE2-ND1 3.37Å; W446-H450 AromaticContact CE2-NE2 3.76Å; W446-H450 HydrophobicContact CE3-CB 4.35Å; W446-H450 AromaticContact CE3-ND1 3.7Å; W446-H450 AromaticContact CG-CE1 3.98Å; W446-H450 AromaticContact CG-ND1 3.84Å; W446-H450 HydrophobicContact CH2-CB 4.3Å; W446-H450 AromaticContact CH2-CG 3.84Å; W446-H450 AromaticContact CZ2-CD2 3.81Å; W446-H450 AromaticContact CZ2-CE1 3.55Å; W446-H450 AromaticContact CZ2-CG 3.87Å; W446-H450 AromaticContact CZ2-ND1 3.71Å; W446-H450 AromaticContact CZ2-NE2 3.62Å; W446-H450 HydrophobicContact CZ3-CB 4.07Å; W446-H450 AromaticContact CZ3-CG 3.95Å; W446-H450 AromaticContact NE1-CE1 3.27Å; W446-H450 PolarHBondContact NE1-CE1 3.24Å; W446-H450 VanDerWaalsContact NE1-CE1 3.27Å; W446-H450 AromaticContact NE1-ND1 3.81Å; W446-H450 AromaticContact NE1-NE2 3.97Å; W446-H450 PolarHBondContact O-N 3.08Å; W446-H450 PolarHBondContact O-ND1 3.17Å; L447-H450 PolarHBondContact O-N 2.71Å; D448-H450 PolarHBondContact O-N 2.89Å; H450-L452 HydrophobicContact CB-CD1 4.1Å; H450-L452 HydrophobicContact CB-CG 4.26Å; H450-L452 PolarHBondContact O-N 2.81Å |
| 451 | Q | 94.3 | Very high | 94 | Very high | 161 Ų | 161 | 58 Ų | 58 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 25.4 | -178.7 | -52.6 | 176.4 | 15.5 | 0 | 0 | 114.1 | L447 D448 | L447-Q451 PolarHBondContact O-N 3Å; D448-Q451 PolarHBondContact O-N 2.85Å; D448-Q451 VanDerWaalsContact O-N 3.11Å |
| 452 | L | 94.4 | Very high | 94.1 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | trans | -98.5 | -6.5 | -178.6 | -71.1 | 173.7 | 0 | 0 | 0 | 113.2 | W446 L447 H450 P454 Y455 K456 E460 T461 | W446-L452 HydrophobicContact CH2-CD1 4.31Å; W446-L452 HydrophobicContact CZ3-CD1 3.93Å; L447-L452 HydrophobicContact CD2-CB 4.07Å; L447-L452 PolarHBondContact O-N 3.39Å; H450-L452 HydrophobicContact CB-CD1 4.1Å; H450-L452 HydrophobicContact CB-CG 4.26Å; H450-L452 PolarHBondContact O-N 2.81Å; L452-P454 VanDerWaalsContact C-CD 3.47Å; L452-Y455 CarbonylContact O-C 3.52Å; L452-Y455 WeakPolarHBondContact O-CA 3.42Å; L452-Y455 PolarHBondContact O-N 3.2Å; L452-K456 PolarHBondContact O-N 2.78Å; L452-E460 HydrophobicContact CD1-CB 4.28Å; L452-E460 HydrophobicContact CD2-CB 4.49Å; L452-T461 HydrophobicContact CB-CG2 4.17Å | ||
| 453 | R | 91.5 | Very high | 94.1 | Very high | 76 Ų | 76 | 58.5 Ų | 58.5 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -54.6 | -41.4 | -178.2 | -175.2 | 57.3 | 176 | -92.3 | 11.9 | 114.7 | N444 L447 D448 Y455 K456 | N444-R453 PolarHBondContact ND2-NH2 2.93Å; N444-R453 PolarHBondContact OD1-NE 3.37Å; N444-R453 PolarHBondContact OD1-NH1 3.23Å; N444-R453 PolarHBondContact OD1-NH2 3.03Å; L447-R453 HydrophobicContact CB-CB 4.08Å; L447-R453 PolarHBondContact O-N 3.4Å; D448-R453 WeakPolarHBondContact OD1-CB 3.27Å; D448-R453 VanDerWaalsContact OD1-CG 3.25Å; D448-R453 WeakPolarHBondContact OD1-CG 3.35Å; D448-R453 IonicContact OD1-NH1 3.86Å; D448-R453 IonicContact OD2-NH1 3.69Å; R453-Y455 PolarHBondContact O-N 3.24Å; R453-Y455 VanDerWaalsContact O-N 3.16Å; R453-K456 WeakPolarHBondContact O-CB 2.9Å; R453-K456 PolarHBondContact O-N 2.86Å |
| 454 | P | 89.6 | Confident | 94.1 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -64.2 | -16.4 | 176.5 | -23.1 | 35.5 | 0 | 0 | 0 | 114.3 | L452 T562 | L452-P454 VanDerWaalsContact C-CD 3.47Å; P454-T562 WeakPolarHBondContact O-CG2 3.32Å |
| 455 | Y | 90.4 | Very high | 94.2 | Very high | 115 Ų | 115 | 57.4 Ų | 57.4 | 45% | 0.451 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -109.4 | 15.2 | -177.4 | -53.4 | -82 | 0 | 0 | 0 | 112.5 | L452 R453 G457 A458 T461 R561 | L452-Y455 CarbonylContact O-C 3.52Å; L452-Y455 WeakPolarHBondContact O-CA 3.42Å; L452-Y455 PolarHBondContact O-N 3.2Å; R453-Y455 PolarHBondContact O-N 3.24Å; R453-Y455 VanDerWaalsContact O-N 3.16Å; Y455-G457 PolarHBondContact O-N 3.25Å; Y455-A458 VanDerWaalsContact O-CB 3.27Å; Y455-A458 WeakPolarHBondContact O-CB 3.44Å; Y455-A458 PolarHBondContact O-N 3.44Å; Y455-T461 WeakPolarHBondContact O-CG2 3.19Å; Y455-R561 HydrophobicContact CE1-CG 4.45Å |
| 456 | K | 89.8 | Confident | 94.3 | Very high | 36 Ų | 36 | 55.5 Ų | 55.5 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 123.3 | 178.9 | -169.4 | 173.3 | -170.8 | 169.5 | 0 | 110.9 | N444 L447 L452 R453 Y484 H489 | N444-K456 PolarHBondContact OD1-NZ 3.43Å; L447-K456 HydrophobicContact CD1-CB 4.41Å; L447-K456 HydrophobicContact CD1-CD 3.92Å; L447-K456 HydrophobicContact CD1-CG 3.99Å; L452-K456 PolarHBondContact O-N 2.78Å; R453-K456 WeakPolarHBondContact O-CB 2.9Å; R453-K456 PolarHBondContact O-N 2.86Å; K456-Y484 VanDerWaalsContact NZ-CE2 3.3Å; K456-Y484 PolarHBondContact NZ-OH 3.49Å; K456-H489 PolarHBondContact NZ-O 3.33Å |
| 457 | G | 91.2 | Very high | 94.3 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 111.2 | -18.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y455 T461 W509 | Y455-G457 PolarHBondContact O-N 3.25Å; G457-T461 PolarHBondContact N-OG1 3.3Å; G457-W509 WeakPolarHBondContact O-CZ2 3.3Å; G457-W509 PolarHBondContact O-NE1 2.89Å |
| 458 | A | 94.2 | Very high | 94.4 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -70 | 156.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y455 E460 T461 F462 N566 | Y455-A458 VanDerWaalsContact O-CB 3.27Å; Y455-A458 WeakPolarHBondContact O-CB 3.44Å; Y455-A458 PolarHBondContact O-N 3.44Å; A458-E460 PolarHBondContact O-N 2.92Å; A458-E460 VanDerWaalsContact O-N 3.16Å; A458-T461 HydrophobicContact CB-CG2 4.43Å; A458-T461 WeakPolarHBondContact O-CB 3.46Å; A458-T461 PolarHBondContact O-N 3.37Å; A458-T461 PolarHBondContact O-OG1 3.01Å; A458-F462 WeakPolarHBondContact O-CD2 3.43Å; A458-N566 WeakPolarHBondContact CA-OD1 2.94Å |
| 459 | P | 95.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -55.7 | -35.2 | -177.4 | -22.3 | 31.3 | 0 | 0 | 0 | 113.5 | T461 F462 W509 L512 W517 | P459-T461 PolarHBondContact O-N 2.87Å; P459-T461 VanDerWaalsContact O-N 3.13Å; P459-F462 PolarHBondContact O-N 3.18Å; P459-W509 HydrophobicContact CB-CD2 4.28Å; P459-W509 HydrophobicContact CB-CG 4.33Å; P459-W509 VanDerWaalsContact CD-CZ2 3.45Å; P459-W509 HydrophobicContact CG-CD2 3.58Å; P459-W509 HydrophobicContact CG-CE3 3.66Å; P459-W509 HydrophobicContact CG-CG 4.13Å; P459-W509 HydrophobicContact CG-CH2 3.89Å; P459-W509 HydrophobicContact CG-CZ2 3.85Å; P459-W509 HydrophobicContact CG-CZ3 3.79Å; P459-L512 HydrophobicContact CB-CD2 3.77Å; P459-L512 HydrophobicContact CG-CD2 3.63Å; P459-W517 HydrophobicContact CB-CZ2 4.03Å |
| 460 | E | 94.8 | Very high | 94.5 | Very high | 92 Ų | 92 | 48.2 Ų | 48.2 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -66.3 | -13.4 | -179.8 | -61.4 | 76.8 | -168.6 | 0 | 0 | 113.1 | L452 A458 R569 | L452-E460 HydrophobicContact CD1-CB 4.28Å; L452-E460 HydrophobicContact CD2-CB 4.49Å; A458-E460 PolarHBondContact O-N 2.92Å; A458-E460 VanDerWaalsContact O-N 3.16Å; E460-R569 IonicContact OE1-CZ 2.66Å; E460-R569 IonicContact OE1-NH1 3.42Å; E460-R569 PolarHBondContact OE1-NH1 3.22Å; E460-R569 IonicContact OE1-NH2 3.52Å; E460-R569 PolarHBondContact OE1-NH2 3.48Å; E460-R569 IonicContact OE2-NH1 2.73Å; E460-R569 PolarHBondContact OE2-NH1 3.01Å |
| 461 | T | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -92.7 | 3.7 | -178.7 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | H441 H442 L447 L452 Y455 G457 A458 P459 | H441-T461 CarbonylContact C-O 3.53Å; H441-T461 WeakPolarHBondContact CA-O 3.4Å; H442-T461 PolarHBondContact N-O 3.05Å; L447-T461 HydrophobicContact CD2-CG2 3.95Å; L452-T461 HydrophobicContact CB-CG2 4.17Å; Y455-T461 WeakPolarHBondContact O-CG2 3.19Å; G457-T461 PolarHBondContact N-OG1 3.3Å; A458-T461 HydrophobicContact CB-CG2 4.43Å; A458-T461 WeakPolarHBondContact O-CB 3.46Å; A458-T461 PolarHBondContact O-N 3.37Å; A458-T461 PolarHBondContact O-OG1 3.01Å; P459-T461 PolarHBondContact O-N 2.87Å; P459-T461 VanDerWaalsContact O-N 3.13Å |
| 462 | F | 96.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -108.9 | 140.6 | 179.1 | -70.1 | -96.5 | 0 | 0 | 0 | 112.6 | M437 F440 H441 A458 P459 V464 W509 W517 | M437-F462 HydrophobicContact CE-CD1 3.69Å; M437-F462 HydrophobicContact CE-CD2 4.17Å; M437-F462 HydrophobicContact CE-CE1 3.27Å; M437-F462 HydrophobicContact CE-CE2 3.81Å; M437-F462 HydrophobicContact CE-CG 4.12Å; M437-F462 HydrophobicContact CE-CZ 3.32Å; M437-F462 HydrophobicContact CG-CD1 4.27Å; M437-F462 HydrophobicContact CG-CE1 4.15Å; M437-F462 WeakPolarHBondContact O-CE1 3.41Å; F440-F462 HydrophobicContact CB-CD1 4.21Å; F440-F462 CarbonylContact O-C 3.47Å; F440-F462 VanDerWaalsContact O-CA 3.29Å; F440-F462 WeakPolarHBondContact O-CA 3.29Å; H441-F462 AromaticContact CD2-CE2 3.91Å; H441-F462 AromaticContact CD2-CZ 3.78Å; H441-F462 AromaticContact CE1-CE1 3.49Å; H441-F462 VanDerWaalsContact CE1-CE1 3.49Å; H441-F462 WeakPolarHBondContact CE1-CE1 3.11Å; H441-F462 AromaticContact CE1-CE2 3.96Å; H441-F462 AromaticContact CE1-CZ 3.15Å; H441-F462 WeakPolarHBondContact CE1-CZ 3.38Å; H441-F462 AromaticContact CG-CE1 3.97Å; H441-F462 AromaticContact ND1-CE1 3.59Å; H441-F462 AromaticContact ND1-CZ 3.75Å; H441-F462 AromaticContact NE2-CE1 3.85Å; H441-F462 AromaticContact NE2-CE2 3.52Å; H441-F462 AromaticContact NE2-CZ 3.21Å; H441-F462 WeakPolarHBondContact NE2-CZ 3.37Å; A458-F462 WeakPolarHBondContact O-CD2 3.43Å; P459-F462 PolarHBondContact O-N 3.18Å; F462-V464 PolarHBondContact O-N 2.93Å; F462-V464 VanDerWaalsContact O-N 3.13Å; F462-W509 AromaticContact CD2-CD1 3.82Å; F462-W509 AromaticContact CE2-CD1 3.56Å; F462-W509 AromaticContact CE2-NE1 3.59Å; F462-W517 HydrophobicContact CB-CH2 3.87Å; F462-W517 HydrophobicContact CB-CZ2 3.95Å; F462-W517 HydrophobicContact CD2-CH2 4.32Å; F462-W517 HydrophobicContact CD2-CZ2 4.41Å; F462-W517 HydrophobicContact CG-CH2 4.02Å; F462-W517 HydrophobicContact CG-CZ2 4.34Å |
| 463 | D | 96.5 | Very high | 94.6 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | trans | -81.3 | 83.3 | 169.2 | -164.4 | -28.1 | 0 | 0 | 0 | 110 | F440 H442 A465 K466 L467 | F440-D463 PolarHBondContact O-N 3.48Å; H442-D463 VanDerWaalsContact CE1-CB 3.45Å; H442-D463 WeakPolarHBondContact CE1-CB 3.09Å; H442-D463 IonicContact CE1-OD2 2.71Å; H442-D463 IonicContact ND1-OD2 3.2Å; D463-A465 VanDerWaalsContact C-N 3.28Å; D463-A465 PolarHBondContact O-N 2.92Å; D463-A465 PolarHBondContact OD1-N 3.5Å; D463-K466 HydrophobicContact CB-CB 3.94Å; D463-K466 VanDerWaalsContact CG-CB 3.44Å; D463-K466 PolarHBondContact O-N 3.33Å; D463-K466 WeakPolarHBondContact OD1-CB 3.35Å; D463-K466 PolarHBondContact OD1-N 2.82Å; D463-L467 PolarHBondContact O-N 3.32Å | ||
| 464 | V | 96.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 9% | 0.085 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.1 | -33.1 | -178.2 | -174 | 0 | 0 | 0 | 0 | 111.7 | F462 L467 V468 K516 W517 L520 | F462-V464 PolarHBondContact O-N 2.93Å; F462-V464 VanDerWaalsContact O-N 3.13Å; V464-L467 WeakPolarHBondContact O-CB 3.39Å; V464-L467 PolarHBondContact O-N 3.47Å; V464-V468 WeakPolarHBondContact O-CG2 3.13Å; V464-V468 PolarHBondContact O-N 3.05Å; V464-K516 WeakPolarHBondContact CG1-O 3.42Å; V464-W517 HydrophobicContact CG2-CD2 4.1Å; V464-W517 HydrophobicContact CG2-CH2 4Å; V464-W517 HydrophobicContact CG2-CZ2 3.55Å; V464-W517 HydrophobicContact CG2-CZ3 4.46Å; V464-L520 HydrophobicContact CG1-CD2 4.43Å |
| 465 | A | 95.4 | Very high | 94.9 | Very high | 74 Ų | 74 | 36.4 Ų | 36.4 | 61% | 0.612 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -64.7 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | D463 V468 E469 | D463-A465 VanDerWaalsContact C-N 3.28Å; D463-A465 PolarHBondContact O-N 2.92Å; D463-A465 PolarHBondContact OD1-N 3.5Å; A465-V468 PolarHBondContact O-N 3.17Å; A465-E469 PolarHBondContact O-N 3Å; A465-E469 VanDerWaalsContact O-N 3.14Å |
| 466 | K | 96.1 | Very high | 94.9 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 20% | 0.204 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 172.4 | -171.8 | -172.5 | 172 | -164.3 | 0 | 111.8 | F440 D463 V468 E469 N470 E493 | F440-K466 HydrophobicContact CD1-CB 4.14Å; F440-K466 HydrophobicContact CD1-CD 4.06Å; F440-K466 HydrophobicContact CD1-CG 3.96Å; F440-K466 HydrophobicContact CE1-CB 4.48Å; F440-K466 HydrophobicContact CE1-CD 4.31Å; F440-K466 HydrophobicContact CE1-CG 3.96Å; D463-K466 HydrophobicContact CB-CB 3.94Å; D463-K466 VanDerWaalsContact CG-CB 3.44Å; D463-K466 PolarHBondContact O-N 3.33Å; D463-K466 WeakPolarHBondContact OD1-CB 3.35Å; D463-K466 PolarHBondContact OD1-N 2.82Å; K466-V468 VanDerWaalsContact C-N 3.35Å; K466-V468 PolarHBondContact O-N 3.37Å; K466-E469 PolarHBondContact O-N 2.78Å; K466-N470 PolarHBondContact O-N 2.97Å; K466-N470 PolarHBondContact O-OD1 2.64Å; K466-N470 VanDerWaalsContact O-OD1 3.05Å; K466-E493 WeakPolarHBondContact CE-OE2 3.44Å; K466-E493 IonicContact NZ-OE1 3.87Å; K466-E493 PolarHBondContact NZ-OE1 3.25Å; K466-E493 IonicContact NZ-OE2 2.69Å; K466-E493 PolarHBondContact NZ-OE2 3.5Å |
| 467 | L | 97.2 | Very high | 95 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 175.8 | 179.7 | 60.6 | 0 | 0 | 0 | 112.3 | M437 F440 D463 V464 E469 N470 L471 W481 L510 W517 L520 | M437-L467 HydrophobicContact CG-CD2 3.94Å; M437-L467 HydrophobicContact SD-CD2 4.37Å; F440-L467 HydrophobicContact CB-CB 4.42Å; F440-L467 VanDerWaalsContact CD1-CA 3.49Å; F440-L467 HydrophobicContact CD1-CB 3.74Å; F440-L467 HydrophobicContact CD1-CD1 4.23Å; F440-L467 HydrophobicContact CD2-CD1 3.74Å; F440-L467 VanDerWaalsContact CE1-CA 3.46Å; F440-L467 HydrophobicContact CE1-CB 4.12Å; F440-L467 HydrophobicContact CE1-CD1 4.15Å; F440-L467 HydrophobicContact CE2-CD1 3.68Å; F440-L467 HydrophobicContact CG-CB 3.98Å; F440-L467 HydrophobicContact CG-CD1 4.02Å; F440-L467 HydrophobicContact CZ-CD1 3.86Å; D463-L467 PolarHBondContact O-N 3.32Å; V464-L467 WeakPolarHBondContact O-CB 3.39Å; V464-L467 PolarHBondContact O-N 3.47Å; L467-E469 PolarHBondContact O-N 2.73Å; L467-N470 PolarHBondContact O-N 2.71Å; L467-L471 HydrophobicContact CD1-CD1 4.32Å; L467-L471 HydrophobicContact CD1-CG 4.27Å; L467-L471 HydrophobicContact CG-CD1 4.17Å; L467-L471 WeakPolarHBondContact O-CB 3.26Å; L467-L471 VanDerWaalsContact O-CG 3.32Å; L467-L471 WeakPolarHBondContact O-CG 3.34Å; L467-L471 PolarHBondContact O-N 3.45Å; L467-W481 HydrophobicContact CD1-CH2 3.62Å; L467-W481 HydrophobicContact CD1-CZ2 3.77Å; L467-L510 HydrophobicContact CD2-CD2 4.31Å; L467-W517 HydrophobicContact CD2-CZ3 4.19Å; L467-L520 HydrophobicContact CD2-CD1 3.8Å; L467-L520 HydrophobicContact CD2-CD2 4.02Å; L467-L520 HydrophobicContact CG-CD2 3.97Å |
| 468 | V | 96.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 174.3 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | V464 A465 K466 L471 R472 E519 L520 F523 | V464-V468 WeakPolarHBondContact O-CG2 3.13Å; V464-V468 PolarHBondContact O-N 3.05Å; A465-V468 PolarHBondContact O-N 3.17Å; K466-V468 VanDerWaalsContact C-N 3.35Å; K466-V468 PolarHBondContact O-N 3.37Å; V468-L471 PolarHBondContact O-N 3.3Å; V468-R472 PolarHBondContact O-N 3.26Å; V468-E519 HydrophobicContact CG2-CB 4.5Å; V468-E519 HydrophobicContact CG2-CG 4.24Å; V468-L520 HydrophobicContact CG2-CD2 3.6Å; V468-F523 HydrophobicContact CG1-CE2 3.93Å; V468-F523 HydrophobicContact CG1-CZ 3.95Å |
| 469 | E | 96.1 | Very high | 95.2 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.3 | -44 | 179.2 | -178.2 | 55.7 | -154.4 | 0 | 0 | 112.1 | A465 K466 L467 L471 R472 Q473 | A465-E469 PolarHBondContact O-N 3Å; A465-E469 VanDerWaalsContact O-N 3.14Å; K466-E469 PolarHBondContact O-N 2.78Å; L467-E469 PolarHBondContact O-N 2.73Å; E469-L471 PolarHBondContact O-N 3.24Å; E469-R472 WeakPolarHBondContact O-CB 3.49Å; E469-R472 PolarHBondContact O-N 3.07Å; E469-R472 IonicContact OE2-CZ 3.43Å; E469-R472 IonicContact OE2-NH1 2.65Å; E469-R472 PolarHBondContact OE2-NH1 3.3Å; E469-Q473 WeakPolarHBondContact O-CG 3.41Å; E469-Q473 PolarHBondContact O-N 3.35Å; E469-Q473 VanDerWaalsContact O-N 3.08Å; E469-Q473 PolarHBondContact OE1-NE2 3.03Å |
| 470 | N | 96.7 | Very high | 95.3 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -37.6 | 176.2 | -80.2 | 77.6 | 0 | 0 | 0 | 112.3 | F440 K466 L467 R472 Q473 V474 T480 W481 | F440-N470 HydrophobicContact CE1-CB 3.71Å; F440-N470 HydrophobicContact CZ-CB 3.55Å; K466-N470 PolarHBondContact O-N 2.97Å; K466-N470 PolarHBondContact O-OD1 2.64Å; K466-N470 VanDerWaalsContact O-OD1 3.05Å; L467-N470 PolarHBondContact O-N 2.71Å; N470-R472 VanDerWaalsContact C-N 3.33Å; N470-Q473 PolarHBondContact O-N 2.93Å; N470-V474 WeakPolarHBondContact O-CG2 2.91Å; N470-V474 PolarHBondContact O-N 2.85Å; N470-T480 PolarHBondContact ND2-O 3Å; N470-W481 HydrophobicContact CB-CE3 4.13Å; N470-W481 HydrophobicContact CB-CZ3 3.88Å |
| 471 | L | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -39.3 | 173.3 | -76.5 | 170.7 | 0 | 0 | 0 | 111.8 | V401 F403 L467 V468 E469 Q473 V474 M475 W481 V505 L520 F523 | V401-L471 HydrophobicContact CG1-CD2 4.38Å; F403-L471 HydrophobicContact CE1-CD1 4.42Å; F403-L471 HydrophobicContact CE1-CD2 4.11Å; F403-L471 HydrophobicContact CZ-CD1 3.97Å; F403-L471 HydrophobicContact CZ-CD2 4.45Å; L467-L471 HydrophobicContact CD1-CD1 4.32Å; L467-L471 HydrophobicContact CD1-CG 4.27Å; L467-L471 HydrophobicContact CG-CD1 4.17Å; L467-L471 WeakPolarHBondContact O-CB 3.26Å; L467-L471 VanDerWaalsContact O-CG 3.32Å; L467-L471 WeakPolarHBondContact O-CG 3.34Å; L467-L471 PolarHBondContact O-N 3.45Å; V468-L471 PolarHBondContact O-N 3.3Å; E469-L471 PolarHBondContact O-N 3.24Å; L471-Q473 VanDerWaalsContact C-N 3.33Å; L471-Q473 PolarHBondContact O-N 2.88Å; L471-V474 WeakPolarHBondContact O-CB 3.41Å; L471-V474 PolarHBondContact O-N 2.76Å; L471-M475 WeakPolarHBondContact O-CG 3.35Å; L471-M475 PolarHBondContact O-N 3.4Å; L471-W481 HydrophobicContact CD2-CH2 3.76Å; L471-W481 HydrophobicContact CD2-CZ3 4.13Å; L471-W481 HydrophobicContact CG-CH2 4.05Å; L471-W481 HydrophobicContact CG-CZ3 4.39Å; L471-V505 HydrophobicContact CD2-CG2 3.91Å; L471-L520 HydrophobicContact CD1-CD2 3.61Å; L471-F523 HydrophobicContact CB-CB 4.19Å; L471-F523 HydrophobicContact CB-CD1 4.08Å; L471-F523 HydrophobicContact CB-CD2 4.15Å; L471-F523 HydrophobicContact CB-CG 3.88Å; L471-F523 HydrophobicContact CD1-CB 4.34Å; L471-F523 HydrophobicContact CD1-CD2 4.16Å; L471-F523 HydrophobicContact CD1-CG 4.39Å |
| 472 | R | 95.7 | Very high | 95.4 | Very high | 91 Ų | 91 | 40.9 Ų | 40.9 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.1 | -46.1 | 173.4 | -175.6 | 179.4 | -68.2 | 114.6 | 5.4 | 111.2 | V468 E469 N470 V474 M475 E476 F523 | V468-R472 PolarHBondContact O-N 3.26Å; E469-R472 WeakPolarHBondContact O-CB 3.49Å; E469-R472 PolarHBondContact O-N 3.07Å; E469-R472 IonicContact OE2-CZ 3.43Å; E469-R472 IonicContact OE2-NH1 2.65Å; E469-R472 PolarHBondContact OE2-NH1 3.3Å; N470-R472 VanDerWaalsContact C-N 3.33Å; R472-V474 VanDerWaalsContact C-N 3.35Å; R472-V474 PolarHBondContact O-N 2.87Å; R472-M475 WeakPolarHBondContact O-CB 3.31Å; R472-M475 PolarHBondContact O-N 2.79Å; R472-M475 VanDerWaalsContact O-N 3.09Å; R472-E476 WeakPolarHBondContact O-CG 3.49Å; R472-E476 PolarHBondContact O-N 3.22Å; R472-F523 HydrophobicContact CB-CE1 3.93Å; R472-F523 HydrophobicContact CB-CZ 4.41Å |
| 473 | Q | 95.7 | Very high | 95.1 | Very high | 63 Ų | 63 | 42.5 Ų | 42.5 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 176.1 | -66.4 | 173.8 | 11.1 | 0 | 0 | 112.4 | E469 N470 L471 M475 E476 G477 C479 | E469-Q473 WeakPolarHBondContact O-CG 3.41Å; E469-Q473 PolarHBondContact O-N 3.35Å; E469-Q473 VanDerWaalsContact O-N 3.08Å; E469-Q473 PolarHBondContact OE1-NE2 3.03Å; N470-Q473 PolarHBondContact O-N 2.93Å; L471-Q473 VanDerWaalsContact C-N 3.33Å; L471-Q473 PolarHBondContact O-N 2.88Å; Q473-M475 PolarHBondContact O-N 3.04Å; Q473-E476 PolarHBondContact O-N 3.46Å; Q473-G477 PolarHBondContact O-N 2.69Å; Q473-C479 HydrophobicContact CB-CB 3.92Å |
| 474 | V | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.5 | -34.6 | 173.5 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | R399 V401 L435 N470 L471 R472 C479 W481 V498 V503 | R399-V474 WeakPolarHBondContact CD-O 2.97Å; R399-V474 PolarHBondContact NH1-O 3.45Å; V401-V474 HydrophobicContact CG2-CG1 3.95Å; L435-V474 HydrophobicContact CD1-CG1 4.49Å; L435-V474 HydrophobicContact CD1-CG2 4.16Å; N470-V474 WeakPolarHBondContact O-CG2 2.91Å; N470-V474 PolarHBondContact O-N 2.85Å; L471-V474 WeakPolarHBondContact O-CB 3.41Å; L471-V474 PolarHBondContact O-N 2.76Å; R472-V474 VanDerWaalsContact C-N 3.35Å; R472-V474 PolarHBondContact O-N 2.87Å; V474-C479 WeakPolarHBondContact CG2-SG 3.31Å; V474-W481 HydrophobicContact CG2-CE3 3.64Å; V474-W481 HydrophobicContact CG2-CZ3 3.58Å; V474-V498 HydrophobicContact CG2-CG1 4.36Å; V474-V503 HydrophobicContact CG1-CG2 3.84Å |
| 475 | M | 91.6 | Very high | 94.2 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 22% | 0.217 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.2 | -28.9 | 175.5 | -61.9 | -50.7 | -59.1 | 0 | 0 | 113.4 | R398 V401 L471 R472 Q473 F523 | R398-M475 HydrophobicContact CG-CE 4.16Å; V401-M475 HydrophobicContact CB-SD 4.28Å; V401-M475 HydrophobicContact CG2-SD 3.32Å; V401-M475 WeakPolarHBondContact CG2-SD 3.48Å; L471-M475 WeakPolarHBondContact O-CG 3.35Å; L471-M475 PolarHBondContact O-N 3.4Å; R472-M475 WeakPolarHBondContact O-CB 3.31Å; R472-M475 PolarHBondContact O-N 2.79Å; R472-M475 VanDerWaalsContact O-N 3.09Å; Q473-M475 PolarHBondContact O-N 3.04Å; M475-F523 HydrophobicContact CG-CD1 3.95Å |
| 476 | E | 91.2 | Very high | 93.3 | Very high | 150 Ų | 150 | 44.4 Ų | 44.4 | 70% | 0.701 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -83.1 | -26.7 | -173.6 | -73.1 | 174.6 | -177.7 | 0 | 0 | 113.6 | R472 Q473 | R472-E476 WeakPolarHBondContact O-CG 3.49Å; R472-E476 PolarHBondContact O-N 3.22Å; Q473-E476 PolarHBondContact O-N 3.46Å |
| 477 | G | 90.8 | Very high | 92.4 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 156.3 | -153.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R399 Q473 C479 | R399-G477 PolarHBondContact NH1-O 2.81Å; R399-G477 PolarHBondContact NH2-O 3.42Å; Q473-G477 PolarHBondContact O-N 2.69Å; G477-C479 PolarHBondContact O-N 2.79Å |
| 478 | D | 93.4 | Very high | 91.7 | Very high | 126 Ų | 126 | 56.7 Ų | 56.7 | 67% | 0.674 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -62.8 | 127.4 | 177.3 | -68.3 | -9 | 0 | 0 | 0 | 110.7 | R399 V498 | R399-D478 IonicContact NH2-OD1 2.85Å; R399-D478 PolarHBondContact NH2-OD1 2.98Å; D478-V498 WeakPolarHBondContact CA-O 3.43Å |
| 479 | C | 96.3 | Very high | 91.1 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | -175.5 | -176.6 | 73.6 | 0 | 0 | 0 | 0 | 110 | Q473 V474 G477 V498 | Q473-C479 HydrophobicContact CB-CB 3.92Å; V474-C479 WeakPolarHBondContact CG2-SG 3.31Å; G477-C479 PolarHBondContact O-N 2.79Å; C479-V498 PolarHBondContact N-O 2.72Å; C479-V498 PolarHBondContact O-N 3.11Å |
| 480 | T | 96.7 | Very high | 90.8 | Very high | 36 Ų | 36 | 59.1 Ų | 59.1 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 156.4 | 173.8 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | N470 D494 L496 | N470-T480 PolarHBondContact ND2-O 3Å; T480-D494 VanDerWaalsContact CB-OD1 3.25Å; T480-D494 WeakPolarHBondContact CB-OD1 3.41Å; T480-D494 HydrophobicContact CG2-CB 4.1Å; T480-D494 PolarHBondContact OG1-OD1 3.27Å; T480-L496 CarbonylContact C-O 3.42Å; T480-L496 VanDerWaalsContact CA-O 3.22Å; T480-L496 WeakPolarHBondContact CA-O 3.31Å |
| 481 | W | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 129.8 | -179.2 | -167.1 | -89.5 | 0 | 0 | 0 | 110.9 | L435 P436 F440 L467 N470 L471 V474 A495 L496 V498 V505 | L435-W481 HydrophobicContact CB-CD2 4.01Å; L435-W481 HydrophobicContact CB-CG 4.28Å; L435-W481 HydrophobicContact CB-CZ2 4.03Å; L435-W481 HydrophobicContact CD1-CD2 4.1Å; L435-W481 HydrophobicContact CD1-CE3 4Å; L435-W481 HydrophobicContact CD1-CZ3 4.28Å; L435-W481 HydrophobicContact CD2-CB 4.16Å; L435-W481 HydrophobicContact CD2-CD2 4.32Å; L435-W481 HydrophobicContact CD2-CG 4.01Å; L435-W481 HydrophobicContact CG-CD2 4.37Å; P436-W481 PolarHBondContact O-NE1 3.03Å; F440-W481 HydrophobicContact CD2-CZ2 4.32Å; F440-W481 HydrophobicContact CE2-CD2 4.06Å; F440-W481 AromaticContact CE2-CE2 3.38Å; F440-W481 HydrophobicContact CE2-CH2 4.02Å; F440-W481 AromaticContact CE2-CZ2 3.37Å; F440-W481 HydrophobicContact CE2-CZ2 3.37Å; F440-W481 AromaticContact CE2-NE1 3.59Å; F440-W481 HydrophobicContact CZ-CD2 4.17Å; F440-W481 AromaticContact CZ-CE2 3.92Å; F440-W481 HydrophobicContact CZ-CE3 4.35Å; F440-W481 HydrophobicContact CZ-CH2 4.09Å; F440-W481 AromaticContact CZ-CZ2 3.89Å; F440-W481 HydrophobicContact CZ-CZ2 3.89Å; F440-W481 HydrophobicContact CZ-CZ3 4.31Å; L467-W481 HydrophobicContact CD1-CH2 3.62Å; L467-W481 HydrophobicContact CD1-CZ2 3.77Å; N470-W481 HydrophobicContact CB-CE3 4.13Å; N470-W481 HydrophobicContact CB-CZ3 3.88Å; L471-W481 HydrophobicContact CD2-CH2 3.76Å; L471-W481 HydrophobicContact CD2-CZ3 4.13Å; L471-W481 HydrophobicContact CG-CH2 4.05Å; L471-W481 HydrophobicContact CG-CZ3 4.39Å; V474-W481 HydrophobicContact CG2-CE3 3.64Å; V474-W481 HydrophobicContact CG2-CZ3 3.58Å; W481-A495 PolarHBondContact O-N 3.02Å; W481-L496 HydrophobicContact CB-CB 4.18Å; W481-L496 PolarHBondContact N-O 3.46Å; W481-L496 PolarHBondContact O-N 3.4Å; W481-V498 HydrophobicContact CB-CG2 3.68Å; W481-V505 HydrophobicContact CH2-CG1 4.23Å; W481-V505 HydrophobicContact CH2-CG2 4.38Å; W481-V505 HydrophobicContact CZ2-CG1 3.94Å |
| 482 | P | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 146.7 | 176.2 | -19.9 | 32 | 0 | 0 | 0 | 112.4 | G439 F440 V492 E493 | G439-P482 WeakPolarHBondContact O-CB 3.22Å; F440-P482 HydrophobicContact CE1-CG 4.13Å; F440-P482 HydrophobicContact CE2-CG 4.33Å; F440-P482 HydrophobicContact CZ-CG 3.91Å; P482-V492 VanDerWaalsContact CA-O 3.31Å; P482-V492 WeakPolarHBondContact CA-O 3.35Å; P482-E493 WeakPolarHBondContact CG-OE2 3.05Å |
| 483 | Q | 91.7 | Very high | 90.3 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 21% | 0.206 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.2 | 173.8 | -170.5 | 172.3 | 13.8 | 0 | 0 | 110.7 | N364 P436 V492 A495 | N364-Q483 PolarHBondContact OD1-NE2 3.33Å; P436-Q483 HydrophobicContact CG-CG 4.04Å; Q483-V492 PolarHBondContact N-O 3.38Å; Q483-V492 PolarHBondContact O-N 3.5Å; Q483-A495 HydrophobicContact CB-CB 3.5Å |
| 484 | Y | 89.2 | Confident | 90.2 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 123.6 | 176.4 | -173 | -99.9 | 0 | 0 | 0 | 111.7 | K456 R486 H489 | K456-Y484 VanDerWaalsContact NZ-CE2 3.3Å; K456-Y484 PolarHBondContact NZ-OH 3.49Å; Y484-R486 HydrophobicContact CD1-CG 4.21Å; Y484-R486 HydrophobicContact CE1-CG 4.24Å; Y484-H489 WeakPolarHBondContact CE2-O 3.43Å; Y484-H489 VanDerWaalsContact OH-C 3.27Å; Y484-H489 WeakPolarHBondContact OH-CA 2.87Å; Y484-H489 PolarHBondContact OH-O 3.36Å |
| 485 | D | 84.3 | Confident | 90 | Very high | 41 Ų | 41 | 63.3 Ų | 63.3 | 22% | 0.219 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.4 | 176.8 | -178.7 | -26.5 | 0 | 0 | 0 | 109.9 | Q487 K488 H489 D490 V492 | D485-Q487 VanDerWaalsContact C-N 3.3Å; D485-Q487 PolarHBondContact O-N 3.4Å; D485-Q487 WeakPolarHBondContact OD1-CA 3.19Å; D485-Q487 WeakPolarHBondContact OD1-CB 3.41Å; D485-Q487 PolarHBondContact OD1-N 3.01Å; D485-K488 HydrophobicContact CB-CB 4.09Å; D485-K488 HydrophobicContact CB-CD 4.27Å; D485-K488 HydrophobicContact CB-CG 4.35Å; D485-K488 PolarHBondContact OD1-N 2.64Å; D485-K488 VanDerWaalsContact OD1-N 3.08Å; D485-K488 WeakPolarHBondContact OD2-CD 2.93Å; D485-K488 WeakPolarHBondContact OD2-CE 3.46Å; D485-K488 WeakPolarHBondContact OD2-CG 2.86Å; D485-K488 IonicContact OD2-NZ 3.27Å; D485-H489 VanDerWaalsContact O-CA 3.31Å; D485-H489 WeakPolarHBondContact O-CA 3.27Å; D485-H489 PolarHBondContact O-N 2.94Å; D485-D490 PolarHBondContact N-O 2.85Å; D485-D490 VanDerWaalsContact N-O 3.09Å; D485-V492 HydrophobicContact CB-CG2 3.55Å |
| 486 | R | 76.6 | Confident | 90.1 | Very high | 94 Ų | 94 | 63.1 Ų | 63.1 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.7 | -178.6 | -68.1 | -168.3 | -177.9 | 178 | 10.9 | 113.9 | Y484 H489 R544 | Y484-R486 HydrophobicContact CD1-CG 4.21Å; Y484-R486 HydrophobicContact CE1-CG 4.24Å; R486-H489 PolarHBondContact O-CE1 3.44Å; R486-H489 VanDerWaalsContact O-CE1 3.29Å; R486-H489 PolarHBondContact O-ND1 3.04Å; R486-R544 VanDerWaalsContact CZ-NH2 3.31Å |
| 487 | Q | 77.3 | Confident | 90.3 | Very high | 178 Ų | 178 | 62.6 Ų | 62.6 | 83% | 0.832 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -41.9 | 175.1 | -61.3 | -177.9 | 3.1 | 0 | 0 | 110.8 | D485 H489 | D485-Q487 VanDerWaalsContact C-N 3.3Å; D485-Q487 PolarHBondContact O-N 3.4Å; D485-Q487 WeakPolarHBondContact OD1-CA 3.19Å; D485-Q487 WeakPolarHBondContact OD1-CB 3.41Å; D485-Q487 PolarHBondContact OD1-N 3.01Å; Q487-H489 VanDerWaalsContact C-N 3.31Å |
| 488 | K | 81.7 | Confident | 90.6 | Very high | 128 Ų | 128 | 61.1 Ų | 61.1 | 56% | 0.557 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -22.1 | 175.1 | -65.2 | 177 | -171 | 165.1 | 0 | 113 | D485 D490 V492 | D485-K488 HydrophobicContact CB-CB 4.09Å; D485-K488 HydrophobicContact CB-CD 4.27Å; D485-K488 HydrophobicContact CB-CG 4.35Å; D485-K488 PolarHBondContact OD1-N 2.64Å; D485-K488 VanDerWaalsContact OD1-N 3.08Å; D485-K488 WeakPolarHBondContact OD2-CD 2.93Å; D485-K488 WeakPolarHBondContact OD2-CE 3.46Å; D485-K488 WeakPolarHBondContact OD2-CG 2.86Å; D485-K488 IonicContact OD2-NZ 3.27Å; K488-D490 PolarHBondContact O-N 3.12Å; K488-V492 HydrophobicContact CD-CG2 3.96Å |
| 489 | H | 83.3 | Confident | 90.7 | Very high | 102 Ų | 102 | 59.3 Ų | 59.3 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 22.6 | -170.6 | -62 | -79.3 | 0 | 0 | 0 | 114.3 | N444 K456 Y484 D485 R486 Q487 | N444-H489 PolarHBondContact ND2-O 3.24Å; N444-H489 PolarHBondContact OD1-O 3.28Å; K456-H489 PolarHBondContact NZ-O 3.33Å; Y484-H489 WeakPolarHBondContact CE2-O 3.43Å; Y484-H489 VanDerWaalsContact OH-C 3.27Å; Y484-H489 WeakPolarHBondContact OH-CA 2.87Å; Y484-H489 PolarHBondContact OH-O 3.36Å; D485-H489 VanDerWaalsContact O-CA 3.31Å; D485-H489 WeakPolarHBondContact O-CA 3.27Å; D485-H489 PolarHBondContact O-N 2.94Å; R486-H489 PolarHBondContact O-CE1 3.44Å; R486-H489 VanDerWaalsContact O-CE1 3.29Å; R486-H489 PolarHBondContact O-ND1 3.04Å; Q487-H489 VanDerWaalsContact C-N 3.31Å |
| 490 | D | 90.5 | Very high | 90.6 | Very high | 37 Ų | 37 | 58.8 Ų | 58.8 | 20% | 0.198 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 159.9 | -179.2 | -88.2 | -53.5 | 0 | 0 | 0 | 110.9 | Y443 N444 D485 K488 | Y443-D490 WeakPolarHBondContact CA-OD1 3.44Å; Y443-D490 HydrophobicContact CD1-CB 4.21Å; N444-D490 WeakPolarHBondContact CB-OD1 3.33Å; N444-D490 WeakPolarHBondContact CB-OD2 3.27Å; N444-D490 VanDerWaalsContact CG-CG 3.49Å; N444-D490 PolarHBondContact N-OD1 2.96Å; N444-D490 PolarHBondContact ND2-OD1 2.92Å; N444-D490 PolarHBondContact ND2-OD2 2.84Å; D485-D490 PolarHBondContact N-O 2.85Å; D485-D490 VanDerWaalsContact N-O 3.09Å; K488-D490 PolarHBondContact O-N 3.12Å |
| 491 | P | 92.6 | Very high | 90.5 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 144.2 | 169 | -21.8 | 32.3 | 0 | 0 | 0 | 112.9 | G439 H441 | G439-P491 WeakPolarHBondContact O-CB 3.22Å; H441-P491 HydrophobicContact CB-CG 4.44Å; H441-P491 WeakPolarHBondContact O-CG 3.47Å |
| 492 | V | 92.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 116.4 | 167.6 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | P482 Q483 D485 K488 A495 | P482-V492 VanDerWaalsContact CA-O 3.31Å; P482-V492 WeakPolarHBondContact CA-O 3.35Å; Q483-V492 PolarHBondContact N-O 3.38Å; Q483-V492 PolarHBondContact O-N 3.5Å; D485-V492 HydrophobicContact CB-CG2 3.55Å; K488-V492 HydrophobicContact CD-CG2 3.96Å; V492-A495 HydrophobicContact CB-CB 4.38Å; V492-A495 HydrophobicContact CG1-CB 4.28Å |
| 493 | E | 94 | Very high | 90.6 | Very high | 71 Ų | 71 | 59.3 Ų | 59.3 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 149.9 | 174.2 | -52.6 | -59.2 | 169.2 | 0 | 0 | 110.5 | Y443 K466 P482 A495 | Y443-E493 WeakPolarHBondContact OH-CG 3.49Å; Y443-E493 PolarHBondContact OH-OE1 3.01Å; K466-E493 WeakPolarHBondContact CE-OE2 3.44Å; K466-E493 IonicContact NZ-OE1 3.87Å; K466-E493 PolarHBondContact NZ-OE1 3.25Å; K466-E493 IonicContact NZ-OE2 2.69Å; K466-E493 PolarHBondContact NZ-OE2 3.5Å; P482-E493 WeakPolarHBondContact CG-OE2 3.05Å; E493-A495 PolarHBondContact O-N 3.02Å; E493-A495 VanDerWaalsContact O-N 3.11Å |
| 494 | D | 92.6 | Very high | 90.9 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 54% | 0.535 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.5 | 27.1 | 176 | -51.3 | -44.4 | 0 | 0 | 0 | 116 | T480 | T480-D494 VanDerWaalsContact CB-OD1 3.25Å; T480-D494 WeakPolarHBondContact CB-OD1 3.41Å; T480-D494 HydrophobicContact CG2-CB 4.1Å; T480-D494 PolarHBondContact OG1-OD1 3.27Å |
| 495 | A | 91.3 | Very high | 91.3 | Very high | 40 Ų | 40 | 55.2 Ų | 55.2 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -33.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W481 Q483 V492 E493 | W481-A495 PolarHBondContact O-N 3.02Å; Q483-A495 HydrophobicContact CB-CB 3.5Å; V492-A495 HydrophobicContact CB-CB 4.38Å; V492-A495 HydrophobicContact CG1-CB 4.28Å; E493-A495 PolarHBondContact O-N 3.02Å; E493-A495 VanDerWaalsContact O-N 3.11Å |
| 496 | L | 92.9 | Very high | 91.9 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.7 | 179.8 | -56.9 | 173.4 | 0 | 0 | 0 | 110.3 | P436 T480 W481 | P436-L496 HydrophobicContact CG-CD1 4.35Å; T480-L496 CarbonylContact C-O 3.42Å; T480-L496 VanDerWaalsContact CA-O 3.22Å; T480-L496 WeakPolarHBondContact CA-O 3.31Å; W481-L496 HydrophobicContact CB-CB 4.18Å; W481-L496 PolarHBondContact N-O 3.46Å; W481-L496 PolarHBondContact O-N 3.4Å |
| 497 | H | 95.8 | Very high | 92.9 | Very high | 138 Ų | 138 | 48.9 Ų | 48.9 | 64% | 0.639 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 121 | 169.4 | -68.4 | 69.9 | 0 | 0 | 0 | 108.5 | Q433 | Q433-H497 PolarHBondContact NE2-O 3.38Å; Q433-H497 PolarHBondContact OE1-O 3.09Å |
| 498 | V | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 107.4 | -174.9 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | R399 L435 V474 D478 C479 W481 V503 | R399-V498 PolarHBondContact NH2-O 3.04Å; R399-V498 VanDerWaalsContact NH2-O 3.11Å; L435-V498 HydrophobicContact CD1-CG1 4.01Å; L435-V498 HydrophobicContact CD1-CG2 4.22Å; L435-V498 HydrophobicContact CD2-CG1 4.27Å; L435-V498 HydrophobicContact CD2-CG2 3.64Å; V474-V498 HydrophobicContact CG2-CG1 4.36Å; D478-V498 WeakPolarHBondContact CA-O 3.43Å; C479-V498 PolarHBondContact N-O 2.72Å; C479-V498 PolarHBondContact O-N 3.11Å; W481-V498 HydrophobicContact CB-CG2 3.68Å; V498-V503 HydrophobicContact CG1-CG1 3.72Å |
| 499 | T | 95.2 | Very high | 94.5 | Very high | 88 Ų | 88 | 34.8 Ų | 34.8 | 54% | 0.54 | 19% | 0.19 | S | C | . | . | trans | -127.3 | -17.5 | -177 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | Q433 | Q433-T499 VanDerWaalsContact OE1-N 3.11Š| ||
| 500 | A | 95.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 30 Ų | 30 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | trans | -64.5 | 144.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R399 Q433 L502 V503 | R399-A500 PolarHBondContact NE-O 3.31Å; Q433-A500 HydrophobicContact CB-CB 3.48Å; Q433-A500 VanDerWaalsContact CB-CB 3.48Å; A500-L502 VanDerWaalsContact C-N 3.26Å; A500-L502 PolarHBondContact O-N 2.62Å; A500-V503 HydrophobicContact CB-CG1 4.42Å | ||
| 501 | P | 95.2 | Very high | 95.4 | Very high | 49 Ų | 49 | 28.6 Ų | 28.6 | 32% | 0.318 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -70.9 | -23.1 | 174.3 | 30.2 | -36.4 | 0 | 0 | 0 | 112.5 | Q392 R399 T400 P430 A431 | Q392-P501 HydrophobicContact CG-CB 4.24Å; Q392-P501 PolarHBondContact OE1-O 2.75Å; R399-P501 CarbonylContact C-O 3.51Å; R399-P501 VanDerWaalsContact CA-O 3.26Å; R399-P501 WeakPolarHBondContact CA-O 2.99Å; R399-P501 WeakPolarHBondContact CG-O 3.47Å; T400-P501 PolarHBondContact N-O 3.42Å; P430-P501 HydrophobicContact CB-CG 4.07Å; A431-P501 WeakPolarHBondContact O-CD 3.06Å |
| 502 | L | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.9 | 174 | -165.1 | 155.6 | 0 | 0 | 0 | 109 | L388 Q392 T400 V402 P430 I432 Q433 A500 I504 | L388-L502 HydrophobicContact CB-CD1 3.81Å; L388-L502 WeakPolarHBondContact O-CD1 2.84Å; Q392-L502 HydrophobicContact CB-CD1 4.4Å; T400-L502 HydrophobicContact CG2-CG 4.46Å; V402-L502 HydrophobicContact CG2-CD2 4.08Å; P430-L502 HydrophobicContact CG-CB 4.42Å; P430-L502 HydrophobicContact CG-CD1 4.24Å; I432-L502 WeakPolarHBondContact CA-O 3.19Å; I432-L502 HydrophobicContact CD1-CD2 4.4Å; I432-L502 HydrophobicContact CG1-CB 4.46Å; I432-L502 HydrophobicContact CG1-CD2 4.15Å; I432-L502 HydrophobicContact CG2-CD2 4.1Å; Q433-L502 PolarHBondContact N-O 3.29Å; Q433-L502 VanDerWaalsContact N-O 3.07Å; A500-L502 VanDerWaalsContact C-N 3.26Å; A500-L502 PolarHBondContact O-N 2.62Å; L502-I504 HydrophobicContact CD2-CD1 4.31Å; L502-I504 HydrophobicContact CD2-CG1 3.82Å |
| 503 | V | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.2 | 177.1 | -61.4 | 0 | 0 | 0 | 0 | 111 | R399 T400 V401 V402 Q433 L435 V474 V498 A500 | R399-V503 HydrophobicContact CG-CG1 4.21Å; R399-V503 HydrophobicContact CG-CG2 4.1Å; T400-V503 PolarHBondContact O-N 2.73Å; V401-V503 HydrophobicContact CB-CG2 4.2Å; V401-V503 HydrophobicContact CG1-CG2 4.33Å; V401-V503 HydrophobicContact CG2-CG2 3.7Å; V402-V503 PolarHBondContact N-O 3.38Å; Q433-V503 HydrophobicContact CB-CG1 4.37Å; Q433-V503 CarbonylContact O-C 3.53Å; Q433-V503 VanDerWaalsContact O-CA 3.24Å; Q433-V503 WeakPolarHBondContact O-CA 3.3Å; L435-V503 HydrophobicContact CD1-CB 3.78Å; L435-V503 HydrophobicContact CD1-CG1 4.06Å; L435-V503 HydrophobicContact CD1-CG2 4.06Å; L435-V503 HydrophobicContact CG-CB 4.23Å; V474-V503 HydrophobicContact CG1-CG2 3.84Å; V498-V503 HydrophobicContact CG1-CG1 3.72Å; A500-V503 HydrophobicContact CB-CG1 4.42Å |
| 504 | I | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 104.1 | 177.2 | -53.2 | -177.5 | 0 | 0 | 0 | 107.8 | L388 V402 L404 T416 W419 I432 Q433 T434 L435 L502 E506 | L388-I504 HydrophobicContact CD1-CD1 4.38Å; V402-I504 HydrophobicContact CB-CG1 4.23Å; V402-I504 CarbonylContact O-C 3.45Å; V402-I504 WeakPolarHBondContact O-CA 3.41Å; L404-I504 HydrophobicContact CB-CG2 3.88Å; T416-I504 HydrophobicContact CG2-CB 4.45Å; T416-I504 HydrophobicContact CG2-CG2 3.74Å; W419-I504 HydrophobicContact CE3-CD1 3.47Å; W419-I504 VanDerWaalsContact CE3-CD1 3.47Å; W419-I504 HydrophobicContact CZ3-CD1 3.93Å; I432-I504 HydrophobicContact CG2-CD1 3.62Å; I432-I504 HydrophobicContact CG2-CG1 3.86Å; Q433-I504 PolarHBondContact O-N 2.92Å; T434-I504 CarbonylContact C-O 3.56Å; T434-I504 WeakPolarHBondContact CA-O 3.28Å; L435-I504 PolarHBondContact N-O 2.79Å; L502-I504 HydrophobicContact CD2-CD1 4.31Å; L502-I504 HydrophobicContact CD2-CG1 3.82Å; I504-E506 PolarHBondContact O-N 2.64Å |
| 505 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 117.6 | 173.7 | -171.1 | 0 | 0 | 0 | 0 | 107.3 | V401 V402 F403 L404 L435 L471 W481 L510 | V401-V505 HydrophobicContact CG1-CG2 3.97Å; V402-V505 PolarHBondContact O-N 3.09Å; F403-V505 WeakPolarHBondContact CA-O 3.32Å; F403-V505 HydrophobicContact CD1-CB 3.83Å; F403-V505 HydrophobicContact CD1-CG2 4.23Å; F403-V505 HydrophobicContact CE1-CB 4.04Å; F403-V505 HydrophobicContact CE1-CG2 4.1Å; L404-V505 PolarHBondContact N-O 2.85Å; L435-V505 HydrophobicContact CB-CG2 4.19Å; L435-V505 HydrophobicContact CD1-CG2 4.27Å; L435-V505 VanDerWaalsContact O-CA 3.31Å; L435-V505 WeakPolarHBondContact O-CA 3.49Å; L471-V505 HydrophobicContact CD2-CG2 3.91Å; W481-V505 HydrophobicContact CH2-CG1 4.23Å; W481-V505 HydrophobicContact CH2-CG2 4.38Å; W481-V505 HydrophobicContact CZ2-CG1 3.94Å; V505-L510 HydrophobicContact CB-CD1 4.26Å; V505-L510 HydrophobicContact CG1-CD1 3.97Å; V505-L510 HydrophobicContact CG1-CD2 3.93Å; V505-L510 WeakPolarHBondContact O-CD1 3.32Å |
| 506 | E | 97 | Very high | 95.5 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.1 | -174.5 | 69.2 | 84.2 | -177.1 | 0 | 0 | 110.8 | L404 K412 S413 T416 T434 L435 P436 M437 I504 | L404-E506 HydrophobicContact CB-CB 4.27Å; L404-E506 WeakPolarHBondContact O-CA 3.48Å; K412-E506 WeakPolarHBondContact CD-OE2 3.37Å; K412-E506 WeakPolarHBondContact CE-OE2 3.38Å; K412-E506 WeakPolarHBondContact CG-OE2 3.39Å; S413-E506 PolarHBondContact OG-OE1 2.85Å; S413-E506 PolarHBondContact OG-OE2 3.13Å; T416-E506 HydrophobicContact CG2-CB 4.29Å; T434-E506 HydrophobicContact CG2-CG 3.68Å; L435-E506 PolarHBondContact O-N 3.08Å; P436-E506 WeakPolarHBondContact CB-OE1 3.13Å; M437-E506 VanDerWaalsContact CB-O 3.25Å; M437-E506 WeakPolarHBondContact CB-O 3.13Å; M437-E506 PolarHBondContact N-O 3.09Å; I504-E506 PolarHBondContact O-N 2.64Å |
| 507 | G | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176 | 164.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L404 C405 A406 | L404-G507 PolarHBondContact O-N 2.75Å; L404-G507 VanDerWaalsContact O-N 3.08Å; C405-G507 VanDerWaalsContact CA-O 3.31Å; C405-G507 WeakPolarHBondContact CA-O 3.48Å; A406-G507 PolarHBondContact N-O 3.43Å |
| 508 | N | 96 | Very high | 95.4 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -80.3 | -26.2 | 178.5 | -63.8 | -7.9 | 0 | 0 | 0 | 112.5 | C405 A406 K412 V570 | C405-N508 PolarHBondContact SG-O 2.83Å; A406-N508 WeakPolarHBondContact O-CA 3.49Å; A406-N508 PolarHBondContact O-OD1 2.93Å; A406-N508 VanDerWaalsContact O-OD1 3.07Å; K412-N508 WeakPolarHBondContact CE-OD1 3.43Å; K412-N508 PolarHBondContact NZ-OD1 2.92Å; N508-V570 HydrophobicContact CB-CG2 3.91Å; N508-V570 WeakPolarHBondContact O-CG1 3.34Å; N508-V570 VanDerWaalsContact O-CG2 3.26Å; N508-V570 WeakPolarHBondContact O-CG2 3.39Å |
| 509 | W | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -117.8 | -0.3 | -161 | -52.2 | 128.7 | 0 | 0 | 0 | 114.2 | M437 G457 P459 F462 L511 L512 W517 N566 R569 V570 | M437-W509 HydrophobicContact CE-CB 4.04Å; M437-W509 VanDerWaalsContact CE-CD1 3.42Å; M437-W509 HydrophobicContact CE-CG 4.04Å; M437-W509 HydrophobicContact SD-CB 4.33Å; G457-W509 WeakPolarHBondContact O-CZ2 3.3Å; G457-W509 PolarHBondContact O-NE1 2.89Å; P459-W509 HydrophobicContact CB-CD2 4.28Å; P459-W509 HydrophobicContact CB-CG 4.33Å; P459-W509 VanDerWaalsContact CD-CZ2 3.45Å; P459-W509 HydrophobicContact CG-CD2 3.58Å; P459-W509 HydrophobicContact CG-CE3 3.66Å; P459-W509 HydrophobicContact CG-CG 4.13Å; P459-W509 HydrophobicContact CG-CH2 3.89Å; P459-W509 HydrophobicContact CG-CZ2 3.85Å; P459-W509 HydrophobicContact CG-CZ3 3.79Å; F462-W509 AromaticContact CD2-CD1 3.82Å; F462-W509 AromaticContact CE2-CD1 3.56Å; F462-W509 AromaticContact CE2-NE1 3.59Å; W509-L511 PolarHBondContact O-N 3.34Å; W509-L512 HydrophobicContact CB-CB 4.41Å; W509-L512 HydrophobicContact CE3-CD1 4.17Å; W509-L512 HydrophobicContact CE3-CD2 4.16Å; W509-L512 HydrophobicContact CZ3-CD1 4.39Å; W509-L512 WeakPolarHBondContact O-CB 3.47Å; W509-L512 PolarHBondContact O-N 3.35Å; W509-W517 HydrophobicContact CB-CD2 3.92Å; W509-W517 HydrophobicContact CB-CE3 3.61Å; W509-W517 HydrophobicContact CB-CH2 3.44Å; W509-W517 VanDerWaalsContact CB-CH2 3.44Å; W509-W517 HydrophobicContact CB-CZ2 3.7Å; W509-W517 HydrophobicContact CB-CZ3 3.4Å; W509-W517 VanDerWaalsContact CB-CZ3 3.4Å; W509-W517 AromaticContact CD1-CH2 3.95Å; W509-W517 HydrophobicContact CG-CH2 4.07Å; W509-W517 HydrophobicContact CG-CZ2 4.12Å; W509-W517 HydrophobicContact CG-CZ3 4.46Å; W509-N566 HydrophobicContact CH2-CB 3.89Å; W509-N566 WeakPolarHBondContact CH2-O 3.49Å; W509-N566 HydrophobicContact CZ2-CB 3.88Å; W509-R569 HydrophobicContact CH2-CB 4.11Å; W509-R569 HydrophobicContact CH2-CG 4.44Å; W509-R569 HydrophobicContact CZ3-CB 3.95Å; W509-R569 HydrophobicContact CZ3-CG 3.96Å; W509-V570 HydrophobicContact CD2-CG2 4.32Å; W509-V570 HydrophobicContact CE3-CG2 3.61Å; W509-V570 HydrophobicContact CH2-CG2 3.62Å; W509-V570 HydrophobicContact CZ2-CG2 4.3Å; W509-V570 HydrophobicContact CZ3-CB 4.28Å; W509-V570 HydrophobicContact CZ3-CG2 3.23Å |
| 510 | L | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.2 | -174.1 | -63.6 | 171.6 | 0 | 0 | 0 | 113.6 | F403 M437 L467 V505 L520 | F403-L510 HydrophobicContact CB-CB 4.29Å; F403-L510 HydrophobicContact CB-CD1 4.16Å; F403-L510 HydrophobicContact CD1-CD1 4.45Å; F403-L510 HydrophobicContact CD2-CB 3.91Å; F403-L510 HydrophobicContact CE2-CB 4.49Å; F403-L510 HydrophobicContact CG-CB 4.18Å; F403-L510 HydrophobicContact CG-CD1 4.22Å; M437-L510 HydrophobicContact CG-CD2 4.26Å; M437-L510 HydrophobicContact SD-CD2 3.76Å; M437-L510 HydrophobicContact SD-CG 4.01Å; L467-L510 HydrophobicContact CD2-CD2 4.31Å; V505-L510 HydrophobicContact CB-CD1 4.26Å; V505-L510 HydrophobicContact CG1-CD1 3.97Å; V505-L510 HydrophobicContact CG1-CD2 3.93Å; V505-L510 WeakPolarHBondContact O-CD1 3.32Å; L510-L520 HydrophobicContact CD2-CD1 4.36Å |
| 511 | L | 96.6 | Very high | 95 | Very high | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 7.3 | 177 | -59.7 | -178.9 | 0 | 0 | 0 | 113.6 | F403 C405 W509 D513 F529 S574 R575 A577 | F403-L511 HydrophobicContact CD2-CD2 4.36Å; C405-L511 HydrophobicContact CB-CB 4.17Å; C405-L511 HydrophobicContact CB-CD1 3.67Å; C405-L511 HydrophobicContact CB-CG 3.73Å; W509-L511 PolarHBondContact O-N 3.34Å; L511-D513 PolarHBondContact O-N 2.85Å; L511-F529 HydrophobicContact CD1-CB 4.48Å; L511-F529 HydrophobicContact CD1-CD2 4.3Å; L511-S574 CarbonylContact O-C 3.52Å; L511-S574 WeakPolarHBondContact O-CA 3.16Å; L511-R575 WeakPolarHBondContact O-CB 3.45Å; L511-R575 WeakPolarHBondContact O-CG 3.4Å; L511-R575 PolarHBondContact O-N 3.19Å; L511-A577 HydrophobicContact CD1-CB 3.64Å |
| 512 | L | 96.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -56.3 | 132.5 | -178.1 | -174.1 | 67.5 | 0 | 0 | 0 | 111.1 | P459 W509 D514 W517 R569 | P459-L512 HydrophobicContact CB-CD2 3.77Å; P459-L512 HydrophobicContact CG-CD2 3.63Å; W509-L512 HydrophobicContact CB-CB 4.41Å; W509-L512 HydrophobicContact CE3-CD1 4.17Å; W509-L512 HydrophobicContact CE3-CD2 4.16Å; W509-L512 HydrophobicContact CZ3-CD1 4.39Å; W509-L512 WeakPolarHBondContact O-CB 3.47Å; W509-L512 PolarHBondContact O-N 3.35Å; L512-D514 HydrophobicContact CD2-CB 3.89Å; L512-D514 HydrophobicContact CG-CB 3.92Å; L512-D514 PolarHBondContact O-N 2.75Å; L512-W517 HydrophobicContact CB-CB 4.09Å; L512-W517 HydrophobicContact CB-CG 4.12Å; L512-W517 HydrophobicContact CD2-CG 4.1Å; L512-R569 HydrophobicContact CD1-CG 4.09Å |
| 513 | D | 95 | Very high | 94.8 | Very high | 94 Ų | 94 | 39.9 Ų | 39.9 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | trans | -82.3 | 63.7 | 177.4 | -161.1 | 26 | 0 | 0 | 0 | 110.9 | L511 Q518 S573 R575 | L511-D513 PolarHBondContact O-N 2.85Å; D513-Q518 PolarHBondContact OD1-NE2 2.87Å; D513-S573 VanDerWaalsContact CB-O 3.26Å; D513-S573 WeakPolarHBondContact CB-O 3.33Å; D513-S573 PolarHBondContact N-O 2.99Å; D513-R575 HydrophobicContact CB-CG 3.68Å | ||
| 514 | D | 92.3 | Very high | 94.8 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -129.7 | 141.4 | 179.1 | 179.4 | -78.8 | 0 | 0 | 0 | 109 | L512 K516 W517 Q518 | L512-D514 HydrophobicContact CD2-CB 3.89Å; L512-D514 HydrophobicContact CG-CB 3.92Å; L512-D514 PolarHBondContact O-N 2.75Å; D514-K516 PolarHBondContact O-N 2.98Å; D514-K516 VanDerWaalsContact O-N 3.09Å; D514-K516 WeakPolarHBondContact OD1-CB 3.28Å; D514-K516 PolarHBondContact OD1-N 2.94Å; D514-W517 HydrophobicContact CB-CB 4.44Å; D514-W517 PolarHBondContact O-N 2.76Å; D514-Q518 WeakPolarHBondContact O-CG 3.18Å; D514-Q518 PolarHBondContact O-N 2.83Å |
| 515 | E | 90.1 | Very high | 94.7 | Very high | 175 Ų | 175 | 44.1 Ų | 44.1 | 82% | 0.818 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -51.9 | -37.8 | -174.2 | -172 | 178.5 | -173.7 | 0 | 0 | 112.7 | ||
| 516 | K | 90.2 | Very high | 94.6 | Very high | 151 Ų | 151 | 45 Ų | 45 | 66% | 0.657 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -72 | -35 | 179.2 | -63.5 | -177.1 | -179.4 | 179.2 | 0 | 112.7 | V464 D514 | V464-K516 WeakPolarHBondContact CG1-O 3.42Å; D514-K516 PolarHBondContact O-N 2.98Å; D514-K516 VanDerWaalsContact O-N 3.09Å; D514-K516 WeakPolarHBondContact OD1-CB 3.28Å; D514-K516 PolarHBondContact OD1-N 2.94Å |
| 517 | W | 94.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -87.7 | -23.7 | -174.7 | -68.1 | 83.2 | 0 | 0 | 0 | 112.4 | M437 P459 F462 V464 L467 W509 L512 D514 E519 L520 | M437-W517 HydrophobicContact CE-CH2 3.85Å; M437-W517 HydrophobicContact CE-CZ3 4.16Å; M437-W517 HydrophobicContact SD-CH2 3.81Å; M437-W517 HydrophobicContact SD-CZ3 3.53Å; M437-W517 VanDerWaalsContact SD-CZ3 3.53Å; P459-W517 HydrophobicContact CB-CZ2 4.03Å; F462-W517 HydrophobicContact CB-CH2 3.87Å; F462-W517 HydrophobicContact CB-CZ2 3.95Å; F462-W517 HydrophobicContact CD2-CH2 4.32Å; F462-W517 HydrophobicContact CD2-CZ2 4.41Å; F462-W517 HydrophobicContact CG-CH2 4.02Å; F462-W517 HydrophobicContact CG-CZ2 4.34Å; V464-W517 HydrophobicContact CG2-CD2 4.1Å; V464-W517 HydrophobicContact CG2-CH2 4Å; V464-W517 HydrophobicContact CG2-CZ2 3.55Å; V464-W517 HydrophobicContact CG2-CZ3 4.46Å; L467-W517 HydrophobicContact CD2-CZ3 4.19Å; W509-W517 HydrophobicContact CB-CD2 3.92Å; W509-W517 HydrophobicContact CB-CE3 3.61Å; W509-W517 HydrophobicContact CB-CH2 3.44Å; W509-W517 VanDerWaalsContact CB-CH2 3.44Å; W509-W517 HydrophobicContact CB-CZ2 3.7Å; W509-W517 HydrophobicContact CB-CZ3 3.4Å; W509-W517 VanDerWaalsContact CB-CZ3 3.4Å; W509-W517 AromaticContact CD1-CH2 3.95Å; W509-W517 HydrophobicContact CG-CH2 4.07Å; W509-W517 HydrophobicContact CG-CZ2 4.12Å; W509-W517 HydrophobicContact CG-CZ3 4.46Å; L512-W517 HydrophobicContact CB-CB 4.09Å; L512-W517 HydrophobicContact CB-CG 4.12Å; L512-W517 HydrophobicContact CD2-CG 4.1Å; D514-W517 HydrophobicContact CB-CB 4.44Å; D514-W517 PolarHBondContact O-N 2.76Å; W517-E519 PolarHBondContact O-N 3.2Å; W517-L520 HydrophobicContact CD2-CD1 4.46Å; W517-L520 HydrophobicContact CE3-CD1 3.48Å; W517-L520 VanDerWaalsContact CE3-CD1 3.48Å; W517-L520 HydrophobicContact CZ3-CD1 3.93Å; W517-L520 WeakPolarHBondContact O-CB 3.35Å; W517-L520 WeakPolarHBondContact O-CG 3.35Å; W517-L520 PolarHBondContact O-N 2.89Å; W517-L520 VanDerWaalsContact O-N 3.16Å |
| 518 | Q | 93 | Very high | 94.7 | Very high | 86 Ų | 86 | 45.2 Ų | 45.2 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.1 | -32 | 179.1 | -79.2 | 179.6 | 6.9 | 0 | 0 | 113.1 | D513 D514 L520 A521 | D513-Q518 PolarHBondContact OD1-NE2 2.87Å; D514-Q518 WeakPolarHBondContact O-CG 3.18Å; D514-Q518 PolarHBondContact O-N 2.83Å; Q518-L520 PolarHBondContact O-N 3.06Å; Q518-A521 WeakPolarHBondContact O-CB 3.44Å; Q518-A521 PolarHBondContact O-N 3.14Å; Q518-A521 VanDerWaalsContact O-N 3.12Å |
| 519 | E | 92.6 | Very high | 94.7 | Very high | 105 Ų | 105 | 45.6 Ų | 45.6 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -57.2 | -32.9 | 177.3 | -172.1 | 175.7 | 178.3 | 0 | 0 | 112.4 | V468 W517 A521 S522 | V468-E519 HydrophobicContact CG2-CB 4.5Å; V468-E519 HydrophobicContact CG2-CG 4.24Å; W517-E519 PolarHBondContact O-N 3.2Å; E519-A521 PolarHBondContact O-N 3Å; E519-A521 VanDerWaalsContact O-N 3.16Å; E519-S522 PolarHBondContact O-N 2.63Å; E519-S522 PolarHBondContact O-OG 2.91Å |
| 520 | L | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -61.1 | -26.7 | 180 | -56.4 | 177.3 | 0 | 0 | 0 | 112.9 | F403 V464 L467 V468 L471 L510 W517 Q518 S522 F523 | F403-L520 HydrophobicContact CE2-CB 3.91Å; F403-L520 WeakPolarHBondContact CE2-O 3.33Å; F403-L520 HydrophobicContact CZ-CB 4.21Å; F403-L520 WeakPolarHBondContact CZ-O 3.43Å; V464-L520 HydrophobicContact CG1-CD2 4.43Å; L467-L520 HydrophobicContact CD2-CD1 3.8Å; L467-L520 HydrophobicContact CD2-CD2 4.02Å; L467-L520 HydrophobicContact CG-CD2 3.97Å; V468-L520 HydrophobicContact CG2-CD2 3.6Å; L471-L520 HydrophobicContact CD1-CD2 3.61Å; L510-L520 HydrophobicContact CD2-CD1 4.36Å; W517-L520 HydrophobicContact CD2-CD1 4.46Å; W517-L520 HydrophobicContact CE3-CD1 3.48Å; W517-L520 VanDerWaalsContact CE3-CD1 3.48Å; W517-L520 HydrophobicContact CZ3-CD1 3.93Å; W517-L520 WeakPolarHBondContact O-CB 3.35Å; W517-L520 WeakPolarHBondContact O-CG 3.35Å; W517-L520 PolarHBondContact O-N 2.89Å; W517-L520 VanDerWaalsContact O-N 3.16Å; Q518-L520 PolarHBondContact O-N 3.06Å; L520-S522 PolarHBondContact O-N 3.09Å; L520-F523 PolarHBondContact O-N 3.49Å; L520-F523 VanDerWaalsContact O-N 3.08Å |
| 521 | A | 91.7 | Very high | 94.5 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -62 | -25 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q518 E519 F523 C524 | Q518-A521 WeakPolarHBondContact O-CB 3.44Å; Q518-A521 PolarHBondContact O-N 3.14Å; Q518-A521 VanDerWaalsContact O-N 3.12Å; E519-A521 PolarHBondContact O-N 3Å; E519-A521 VanDerWaalsContact O-N 3.16Å; A521-F523 PolarHBondContact O-N 3.48Å; A521-C524 PolarHBondContact O-N 3.34Å |
| 522 | S | 93.5 | Very high | 94.3 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 62% | 0.615 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -65.4 | -19.5 | 177.3 | 65.3 | 0 | 0 | 0 | 0 | 113.5 | E519 L520 | E519-S522 PolarHBondContact O-N 2.63Å; E519-S522 PolarHBondContact O-OG 2.91Å; L520-S522 PolarHBondContact O-N 3.09Å |
| 523 | F | 95.2 | Very high | 93.9 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -98.4 | -9.3 | 178 | -54.2 | -82.9 | 0 | 0 | 0 | 113.3 | V401 V468 L471 R472 M475 L520 A521 | V401-F523 WeakPolarHBondContact CB-O 3.17Å; V468-F523 HydrophobicContact CG1-CE2 3.93Å; V468-F523 HydrophobicContact CG1-CZ 3.95Å; L471-F523 HydrophobicContact CB-CB 4.19Å; L471-F523 HydrophobicContact CB-CD1 4.08Å; L471-F523 HydrophobicContact CB-CD2 4.15Å; L471-F523 HydrophobicContact CB-CG 3.88Å; L471-F523 HydrophobicContact CD1-CB 4.34Å; L471-F523 HydrophobicContact CD1-CD2 4.16Å; L471-F523 HydrophobicContact CD1-CG 4.39Å; R472-F523 HydrophobicContact CB-CE1 3.93Å; R472-F523 HydrophobicContact CB-CZ 4.41Å; M475-F523 HydrophobicContact CG-CD1 3.95Å; L520-F523 PolarHBondContact O-N 3.49Å; L520-F523 VanDerWaalsContact O-N 3.08Å; A521-F523 PolarHBondContact O-N 3.48Å |
| 524 | C | 96 | Very high | 93.6 | Very high | 28 Ų | 28 | 48 Ų | 48 | 19% | 0.189 | 26% | 0.255 | C | S | . | . | trans | -91.2 | 120 | -173.7 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | F403 A521 F526 | F403-C524 HydrophobicContact CD1-CB 4.31Å; F403-C524 HydrophobicContact CD2-CB 3.62Å; F403-C524 HydrophobicContact CE1-CB 4.29Å; F403-C524 HydrophobicContact CE2-CB 3.6Å; F403-C524 HydrophobicContact CG-CB 3.99Å; F403-C524 HydrophobicContact CZ-CB 3.94Å; A521-C524 PolarHBondContact O-N 3.34Å; C524-F526 PolarHBondContact SG-O 3.01Å | ||
| 525 | D | 95.7 | Very high | 93.4 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -85.6 | -31.5 | 174.3 | -64.2 | -59.5 | 0 | 0 | 0 | 112 | R398 T400 V401 | R398-D525 IonicContact CZ-OD1 3.56Å; R398-D525 IonicContact NH2-OD1 3.87Å; R398-D525 PolarHBondContact NH2-OD1 3.2Å; R398-D525 IonicContact NH2-OD2 2.64Å; R398-D525 PolarHBondContact NH2-OD2 3.21Å; T400-D525 WeakPolarHBondContact CA-OD2 3.16Å; T400-D525 HydrophobicContact CG2-CB 4.02Å; V401-D525 PolarHBondContact N-OD2 3.44Å; V401-D525 PolarHBondContact O-N 3.38Å |
| 526 | F | 96.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 138.5 | 175.7 | -162.6 | -97.9 | 0 | 0 | 0 | 111.6 | K387 L388 L391 V401 V402 F403 C524 I528 N578 L579 | K387-F526 HydrophobicContact CD-CZ 4.48Å; L388-F526 HydrophobicContact CD2-CB 4.45Å; L388-F526 HydrophobicContact CD2-CD1 3.62Å; L388-F526 HydrophobicContact CD2-CE1 4.16Å; L388-F526 HydrophobicContact CD2-CG 4.19Å; L391-F526 HydrophobicContact CD1-CB 3.59Å; L391-F526 HydrophobicContact CD1-CD2 3.63Å; L391-F526 HydrophobicContact CD1-CE2 4.45Å; L391-F526 HydrophobicContact CD1-CG 3.68Å; V401-F526 PolarHBondContact O-N 3.46Å; V402-F526 CarbonylContact C-O 3.58Å; V402-F526 WeakPolarHBondContact CA-O 3.35Å; V402-F526 WeakPolarHBondContact CG1-O 3.28Å; V402-F526 HydrophobicContact CG2-CB 4.43Å; F403-F526 PolarHBondContact N-O 2.83Å; C524-F526 PolarHBondContact SG-O 3.01Å; F526-I528 HydrophobicContact CD1-CG1 3.96Å; F526-I528 HydrophobicContact CE1-CG1 3.9Å; F526-N578 HydrophobicContact CD1-CB 4.41Å; F526-N578 HydrophobicContact CD2-CB 3.73Å; F526-N578 HydrophobicContact CE1-CB 4.14Å; F526-N578 HydrophobicContact CE2-CB 3.42Å; F526-N578 VanDerWaalsContact CE2-CB 3.42Å; F526-N578 HydrophobicContact CG-CB 4.22Å; F526-N578 HydrophobicContact CZ-CB 3.63Å; F526-L579 HydrophobicContact CE1-CB 3.81Å; F526-L579 HydrophobicContact CE1-CD2 4.41Å; F526-L579 HydrophobicContact CZ-CB 3.92Å |
| 527 | S | 97.4 | Very high | 93.3 | Very high | 7 Ų | 7 | 37.1 Ų | 37.1 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137.2 | -179.5 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | F403 A577 N578 L579 | F403-S527 CarbonylContact O-C 3.59Å; F403-S527 WeakPolarHBondContact O-CA 3.41Å; S527-A577 WeakPolarHBondContact OG-CA 3.19Å; S527-N578 PolarHBondContact N-OD1 2.96Å; S527-N578 WeakPolarHBondContact O-CA 3.34Å; S527-N578 WeakPolarHBondContact O-CB 3.47Å; S527-N578 PolarHBondContact O-N 3.48Å; S527-N578 PolarHBondContact OG-N 3.4Å; S527-N578 PolarHBondContact OG-OD1 2.99Å; S527-L579 PolarHBondContact O-N 3.34Å |
| 528 | I | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.8 | 176.7 | -55.9 | 167 | 0 | 0 | 0 | 107.1 | L384 L388 V402 F403 L404 C405 W419 F526 L579 V581 | L384-I528 HydrophobicContact CD1-CD1 4Å; L384-I528 HydrophobicContact CD2-CD1 4.13Å; L384-I528 HydrophobicContact CG-CD1 4.4Å; L388-I528 HydrophobicContact CD1-CD1 4.19Å; L388-I528 HydrophobicContact CD2-CD1 4.41Å; V402-I528 HydrophobicContact CG1-CD1 3.92Å; V402-I528 HydrophobicContact CG1-CG1 4.31Å; F403-I528 PolarHBondContact O-N 2.84Å; L404-I528 WeakPolarHBondContact CA-O 3.25Å; L404-I528 HydrophobicContact CD1-CB 3.67Å; L404-I528 HydrophobicContact CD1-CG2 3.55Å; C405-I528 PolarHBondContact N-O 2.89Å; W419-I528 HydrophobicContact CH2-CD1 4.11Å; W419-I528 HydrophobicContact CZ3-CD1 4.22Å; F526-I528 HydrophobicContact CD1-CG1 3.96Å; F526-I528 HydrophobicContact CE1-CG1 3.9Å; I528-L579 CarbonylContact C-O 3.54Å; I528-L579 WeakPolarHBondContact CA-O 3.48Å; I528-L579 HydrophobicContact CG1-CB 4.4Å; I528-L579 HydrophobicContact CG1-CD2 4.4Å; I528-V581 HydrophobicContact CG2-CG2 3.93Å |
| 529 | F | 96.9 | Very high | 93 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.1 | 172.7 | -168.8 | -87.9 | 0 | 0 | 0 | 110.3 | C405 L511 H531 V570 L571 S574 A577 L579 I580 V581 | C405-F529 HydrophobicContact CB-CD2 3.82Å; C405-F529 HydrophobicContact CB-CE2 4.37Å; C405-F529 CarbonylContact O-C 3.47Å; C405-F529 VanDerWaalsContact O-CA 3.27Å; C405-F529 WeakPolarHBondContact O-CA 3.33Å; L511-F529 HydrophobicContact CD1-CB 4.48Å; L511-F529 HydrophobicContact CD1-CD2 4.3Å; F529-H531 HydrophobicContact CD1-CB 4.45Å; F529-H531 HydrophobicContact CE1-CB 4.47Å; F529-V570 HydrophobicContact CE2-CG1 3.78Å; F529-V570 HydrophobicContact CZ-CG1 3.83Å; F529-L571 HydrophobicContact CE1-CD2 4.25Å; F529-L571 HydrophobicContact CZ-CD2 4.35Å; F529-S574 WeakPolarHBondContact CE2-OG 3.36Å; F529-A577 HydrophobicContact CB-CB 3.61Å; F529-L579 PolarHBondContact N-O 3.41Å; F529-I580 WeakPolarHBondContact O-CA 3.34Å; F529-V581 PolarHBondContact O-N 2.91Å |
| 530 | I | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 109.9 | 171.4 | -56.9 | 177.5 | 0 | 0 | 0 | 108.3 | L404 C405 A406 P407 T410 L415 V581 M583 Y589 | L404-I530 HydrophobicContact CD1-CD1 4.01Å; L404-I530 HydrophobicContact CD1-CG1 3.94Å; L404-I530 HydrophobicContact CD2-CD1 4.24Å; L404-I530 HydrophobicContact CG-CD1 4.37Å; C405-I530 PolarHBondContact O-N 2.77Å; A406-I530 HydrophobicContact CB-CB 3.74Å; A406-I530 HydrophobicContact CB-CD1 4.13Å; A406-I530 HydrophobicContact CB-CG1 4.19Å; P407-I530 VanDerWaalsContact CD-O 3.23Å; P407-I530 WeakPolarHBondContact CD-O 3.42Å; T410-I530 HydrophobicContact CG2-CG2 4.17Å; L415-I530 HydrophobicContact CD2-CD1 3.63Å; I530-V581 CarbonylContact C-O 3.54Å; I530-V581 VanDerWaalsContact CA-O 3.29Å; I530-V581 WeakPolarHBondContact CA-O 3.42Å; I530-M583 HydrophobicContact CG2-CB 4.16Å; I530-Y589 HydrophobicContact CD1-CE1 4.03Å; I530-Y589 HydrophobicContact CG2-CD1 4.35Å; I530-Y589 HydrophobicContact CG2-CE1 3.79Å |
| 531 | H | 94.2 | Very high | 92.7 | Very high | 69 Ų | 69 | 39 Ų | 39 | 32% | 0.319 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130 | 169.7 | -173.4 | -92.6 | 0 | 0 | 0 | 109.7 | F529 I580 V581 E582 M583 I592 | F529-H531 HydrophobicContact CD1-CB 4.45Å; F529-H531 HydrophobicContact CE1-CB 4.47Å; H531-I580 HydrophobicContact CB-CG2 4.09Å; H531-V581 PolarHBondContact N-O 2.71Å; H531-E582 IonicContact ND1-OE1 2.64Å; H531-E582 CarbonylContact O-C 3.32Å; H531-E582 WeakPolarHBondContact O-CA 3.4Å; H531-M583 PolarHBondContact O-N 2.95Å; H531-I592 HydrophobicContact CB-CD1 4.44Å |
| 532 | A | 91.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -142.3 | 127.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | T410 A534 L537 M583 | T410-A532 HydrophobicContact CG2-CB 3.72Å; A532-A534 PolarHBondContact O-N 3Å; A532-L537 HydrophobicContact CB-CD1 3.99Å; A532-L537 HydrophobicContact CB-CD2 3.89Å; A532-L537 HydrophobicContact CB-CG 4.03Å; A532-M583 HydrophobicContact CB-CB 4.13Å; A532-M583 HydrophobicContact CB-CE 3.79Å | ||
| 533 | P | 87.6 | Confident | 92.3 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 32% | 0.318 | 19% | 0.185 | S | C | . | . | trans | -52.4 | 126.5 | 174.8 | -26.6 | 30.4 | 0 | 0 | 0 | 112 | Q535 I536 L537 | P533-Q535 PolarHBondContact O-N 2.99Å; P533-I536 HydrophobicContact CB-CD1 3.7Å; P533-I536 HydrophobicContact CB-CG1 4.21Å; P533-I536 HydrophobicContact CG-CD1 3.59Å; P533-I536 PolarHBondContact O-N 2.93Å; P533-L537 PolarHBondContact O-N 3.16Å | ||
| 534 | A | 90.2 | Very high | 91.8 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54.4 | -31.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | A532 I536 L537 R538 V567 L571 | A532-A534 PolarHBondContact O-N 3Å; A534-I536 PolarHBondContact O-N 3.02Å; A534-L537 PolarHBondContact O-N 3.12Å; A534-R538 PolarHBondContact O-N 2.8Å; A534-V567 HydrophobicContact CB-CG1 3.83Å; A534-L571 HydrophobicContact CB-CD1 4.22Å |
| 535 | Q | 87.6 | Confident | 91.3 | Very high | 128 Ų | 128 | 42.9 Ų | 42.9 | 60% | 0.598 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63 | -37.9 | 177.7 | -172.9 | 60.4 | 18.6 | 0 | 0 | 113.1 | P533 R538 | P533-Q535 PolarHBondContact O-N 2.99Å; Q535-R538 WeakPolarHBondContact O-CB 3.34Å |
| 536 | I | 86.4 | Confident | 90.9 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 11% | 0.108 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.9 | -40.8 | 177 | -59.5 | 158.1 | 0 | 0 | 0 | 109.7 | P533 A534 R538 R540 M583 E585 | P533-I536 HydrophobicContact CB-CD1 3.7Å; P533-I536 HydrophobicContact CB-CG1 4.21Å; P533-I536 HydrophobicContact CG-CD1 3.59Å; P533-I536 PolarHBondContact O-N 2.93Å; A534-I536 PolarHBondContact O-N 3.02Å; I536-R538 VanDerWaalsContact C-N 3.3Å; I536-R538 PolarHBondContact O-N 3.41Å; I536-R540 WeakPolarHBondContact O-CG 3.5Å; I536-R540 PolarHBondContact O-N 3.26Å; I536-M583 HydrophobicContact CG2-CE 3.91Å; I536-E585 HydrophobicContact CD1-CB 4.13Å; I536-E585 HydrophobicContact CD1-CG 3.58Å; I536-E585 HydrophobicContact CG1-CB 4.34Å; I536-E585 HydrophobicContact CG1-CG 3.8Å |
| 537 | L | 91.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -35 | -179.9 | -59.5 | 176.6 | 0 | 0 | 0 | 111.7 | P407 T410 A532 P533 A534 R540 L541 V567 M583 | P407-L537 HydrophobicContact CB-CD1 3.5Å; P407-L537 HydrophobicContact CG-CD1 4.13Å; T410-L537 HydrophobicContact CG2-CD2 3.72Å; A532-L537 HydrophobicContact CB-CD1 3.99Å; A532-L537 HydrophobicContact CB-CD2 3.89Å; A532-L537 HydrophobicContact CB-CG 4.03Å; P533-L537 PolarHBondContact O-N 3.16Å; A534-L537 PolarHBondContact O-N 3.12Å; L537-R540 PolarHBondContact O-N 2.91Å; L537-L541 HydrophobicContact CB-CD1 4.21Å; L537-L541 VanDerWaalsContact O-CB 3.3Å; L537-L541 WeakPolarHBondContact O-CB 3.43Å; L537-L541 WeakPolarHBondContact O-CD1 3.35Å; L537-L541 WeakPolarHBondContact O-CG 3.47Å; L537-L541 PolarHBondContact O-N 3.26Å; L537-V567 HydrophobicContact CB-CG2 4.39Å; L537-V567 HydrophobicContact CD1-CG1 3.75Å; L537-V567 HydrophobicContact CD1-CG2 4.06Å; L537-M583 HydrophobicContact CD2-CE 4.08Å |
| 538 | R | 93.1 | Very high | 88.8 | Confident | 73 Ų | 73 | 49.7 Ų | 49.7 | 28% | 0.275 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -51.5 | -58.4 | 176.3 | 179.2 | 171.4 | -178.3 | -93.6 | 3 | 112.4 | A534 Q535 I536 R540 L541 I542 Y559 | A534-R538 PolarHBondContact O-N 2.8Å; Q535-R538 WeakPolarHBondContact O-CB 3.34Å; I536-R538 VanDerWaalsContact C-N 3.3Å; I536-R538 PolarHBondContact O-N 3.41Å; R538-R540 VanDerWaalsContact C-N 3.31Å; R538-R540 PolarHBondContact O-N 2.61Å; R538-L541 PolarHBondContact O-N 2.92Å; R538-I542 HydrophobicContact CG-CD1 3.66Å; R538-I542 WeakPolarHBondContact O-CG1 3.29Å; R538-I542 PolarHBondContact O-N 3.43Å; R538-Y559 HydrophobicContact CB-CE1 4.01Å; R538-Y559 HydrophobicContact CB-CE2 4.07Å; R538-Y559 WeakPolarHBondContact CB-OH 3.26Å; R538-Y559 HydrophobicContact CG-CD1 4.08Å; R538-Y559 HydrophobicContact CG-CE1 3.55Å; R538-Y559 HydrophobicContact CG-CE2 4.25Å |
| 539 | E | 87.9 | Confident | 88.1 | Confident | 71 Ų | 71 | 53 Ų | 53 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | -176.9 | -65.2 | -54.7 | 133.4 | 0 | 0 | 111.5 | S543 | E539-S543 WeakPolarHBondContact O-CB 2.98Å; E539-S543 PolarHBondContact O-N 2.81Å; E539-S543 PolarHBondContact O-OG 3Å |
| 540 | R | 88.9 | Confident | 87.5 | Confident | 86 Ų | 86 | 55 Ų | 55 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 175.9 | -70.9 | -177.9 | 175.4 | -161.6 | 1 | 112.5 | G409 I536 L537 R538 R544 M583 | G409-R540 WeakPolarHBondContact O-CD 3.33Å; I536-R540 WeakPolarHBondContact O-CG 3.5Å; I536-R540 PolarHBondContact O-N 3.26Å; L537-R540 PolarHBondContact O-N 2.91Å; R538-R540 VanDerWaalsContact C-N 3.31Å; R538-R540 PolarHBondContact O-N 2.61Å; R540-R544 WeakPolarHBondContact O-CB 3.38Å; R540-R544 PolarHBondContact O-N 2.87Å; R540-M583 PolarHBondContact NH1-SD 3.16Å |
| 541 | L | 91.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.3 | -43.6 | -178.9 | -73.1 | 161.6 | 0 | 0 | 0 | 111.6 | P408 L537 R538 R544 K545 Y559 D563 V567 | P408-L541 HydrophobicContact CB-CD2 4.17Å; P408-L541 HydrophobicContact CG-CD1 4.49Å; L537-L541 HydrophobicContact CB-CD1 4.21Å; L537-L541 VanDerWaalsContact O-CB 3.3Å; L537-L541 WeakPolarHBondContact O-CB 3.43Å; L537-L541 WeakPolarHBondContact O-CD1 3.35Å; L537-L541 WeakPolarHBondContact O-CG 3.47Å; L537-L541 PolarHBondContact O-N 3.26Å; R538-L541 PolarHBondContact O-N 2.92Å; L541-R544 PolarHBondContact O-N 2.86Å; L541-K545 WeakPolarHBondContact O-CG 3.31Å; L541-K545 PolarHBondContact O-N 3.07Å; L541-Y559 HydrophobicContact CB-CD2 3.87Å; L541-Y559 HydrophobicContact CB-CE2 4.2Å; L541-Y559 HydrophobicContact CD1-CD2 4.1Å; L541-Y559 HydrophobicContact CD1-CE2 3.74Å; L541-D563 HydrophobicContact CD1-CB 3.94Å; L541-D563 HydrophobicContact CD2-CB 4.47Å; L541-V567 HydrophobicContact CD1-CG2 3.91Å |
| 542 | I | 91.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 174.2 | -68.7 | 165.3 | 0 | 0 | 0 | 110.1 | R538 R544 K545 I546 A555 E556 Y559 | R538-I542 HydrophobicContact CG-CD1 3.66Å; R538-I542 WeakPolarHBondContact O-CG1 3.29Å; R538-I542 PolarHBondContact O-N 3.43Å; I542-R544 PolarHBondContact O-N 3.09Å; I542-K545 WeakPolarHBondContact O-CB 2.85Å; I542-K545 PolarHBondContact O-N 3.04Å; I542-I546 HydrophobicContact CG2-CD1 3.8Å; I542-I546 HydrophobicContact CG2-CG1 4.4Å; I542-I546 WeakPolarHBondContact O-CG1 3.36Å; I542-I546 PolarHBondContact O-N 3.48Å; I542-A555 HydrophobicContact CG2-CB 3.98Å; I542-E556 HydrophobicContact CD1-CG 3.78Å; I542-E556 HydrophobicContact CG1-CG 4.31Å; I542-E556 HydrophobicContact CG2-CG 4.34Å; I542-Y559 HydrophobicContact CD1-CG 4.43Å; I542-Y559 HydrophobicContact CG1-CG 4.13Å |
| 543 | S | 87 | Confident | 87.1 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.2 | -37.9 | 179.3 | -61 | 0 | 0 | 0 | 0 | 112.1 | E539 K545 I546 A547 | E539-S543 WeakPolarHBondContact O-CB 2.98Å; E539-S543 PolarHBondContact O-N 2.81Å; E539-S543 PolarHBondContact O-OG 3Å; S543-K545 VanDerWaalsContact C-N 3.34Å; S543-K545 PolarHBondContact O-N 2.82Å; S543-I546 PolarHBondContact O-N 3.3Å; S543-A547 WeakPolarHBondContact O-CB 3.39Å; S543-A547 PolarHBondContact O-N 2.62Å |
| 544 | R | 84.2 | Confident | 87.4 | Confident | 137 Ų | 137 | 69.9 Ų | 69.9 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 175.7 | -179.2 | 176.1 | 170.9 | -175.1 | -7 | 112.9 | R486 R540 L541 I542 G548 | R486-R544 VanDerWaalsContact CZ-NH2 3.31Å; R540-R544 WeakPolarHBondContact O-CB 3.38Å; R540-R544 PolarHBondContact O-N 2.87Å; L541-R544 PolarHBondContact O-N 2.86Å; I542-R544 PolarHBondContact O-N 3.09Å; R544-G548 PolarHBondContact O-N 2.84Å |
| 545 | K | 85.4 | Confident | 87.4 | Confident | 55 Ų | 55 | 68.1 Ų | 68.1 | 24% | 0.239 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73.6 | -39.4 | 175.6 | -63.8 | -66.1 | 172.1 | 169.6 | 0 | 111.4 | L541 I542 S543 G548 G549 L550 A555 F558 | L541-K545 WeakPolarHBondContact O-CG 3.31Å; L541-K545 PolarHBondContact O-N 3.07Å; I542-K545 WeakPolarHBondContact O-CB 2.85Å; I542-K545 PolarHBondContact O-N 3.04Å; S543-K545 VanDerWaalsContact C-N 3.34Å; S543-K545 PolarHBondContact O-N 2.82Å; K545-G548 CarbonylContact O-C 3.57Å; K545-G548 WeakPolarHBondContact O-CA 3.45Å; K545-G548 PolarHBondContact O-N 2.87Å; K545-G549 PolarHBondContact O-N 2.98Å; K545-L550 HydrophobicContact CB-CB 4.45Å; K545-L550 HydrophobicContact CB-CD2 4.31Å; K545-L550 PolarHBondContact O-N 2.97Å; K545-A555 HydrophobicContact CB-CB 3.69Å; K545-F558 HydrophobicContact CD-CD1 4.01Å; K545-F558 HydrophobicContact CD-CE1 4.22Å; K545-F558 HydrophobicContact CD-CG 4.48Å; K545-F558 VanDerWaalsContact CE-CD1 3.4Å; K545-F558 HydrophobicContact CG-CD1 4.32Å |
| 546 | I | 86.4 | Confident | 87.7 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 174.5 | -64.2 | 171.1 | 0 | 0 | 0 | 110.5 | I542 S543 G548 G549 L550 R552 A555 | I542-I546 HydrophobicContact CG2-CD1 3.8Å; I542-I546 HydrophobicContact CG2-CG1 4.4Å; I542-I546 WeakPolarHBondContact O-CG1 3.36Å; I542-I546 PolarHBondContact O-N 3.48Å; S543-I546 PolarHBondContact O-N 3.3Å; I546-G548 PolarHBondContact O-N 3.48Å; I546-G548 VanDerWaalsContact O-N 3.16Å; I546-G549 PolarHBondContact O-N 3.31Å; I546-L550 WeakPolarHBondContact CA-O 3.3Å; I546-R552 HydrophobicContact CD1-CB 4.2Å; I546-R552 HydrophobicContact CD1-CG 4.3Å; I546-A555 HydrophobicContact CG1-CB 3.85Å |
| 547 | A | 76.6 | Confident | 88 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 77% | 0.769 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.3 | -22.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S543 | S543-A547 WeakPolarHBondContact O-CB 3.39Å; S543-A547 PolarHBondContact O-N 2.62Å |
| 548 | G | 75 | Confident | 87.9 | Confident | 64 Ų | 64 | 68.4 Ų | 68.4 | 66% | 0.66 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 3.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R544 K545 I546 | R544-G548 PolarHBondContact O-N 2.84Å; K545-G548 CarbonylContact O-C 3.57Å; K545-G548 WeakPolarHBondContact O-CA 3.45Å; K545-G548 PolarHBondContact O-N 2.87Å; I546-G548 PolarHBondContact O-N 3.48Å; I546-G548 VanDerWaalsContact O-N 3.16Å |
| 549 | G | 80.8 | Confident | 87.9 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 71% | 0.711 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.6 | 2.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | K545 I546 | K545-G549 PolarHBondContact O-N 2.98Å; I546-G549 PolarHBondContact O-N 3.31Å |
| 550 | L | 84.3 | Confident | 88.2 | Confident | 59 Ų | 59 | 65.6 Ų | 65.6 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | trans | -76.7 | 147.8 | 175.3 | -78.5 | 75.7 | 0 | 0 | 0 | 111 | K545 I546 E554 A555 | K545-L550 HydrophobicContact CB-CB 4.45Å; K545-L550 HydrophobicContact CB-CD2 4.31Å; K545-L550 PolarHBondContact O-N 2.97Å; I546-L550 WeakPolarHBondContact CA-O 3.3Å; L550-E554 HydrophobicContact CB-CB 4.18Å; L550-E554 HydrophobicContact CD2-CB 4.05Å; L550-E554 HydrophobicContact CG-CB 4.33Å; L550-A555 HydrophobicContact CB-CB 4.36Å | ||
| 551 | S | 90.7 | Very high | 88.3 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | trans | -63.3 | 162.2 | 164.2 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | E553 E554 A555 | S551-E553 VanDerWaalsContact C-N 3.27Å; S551-E553 PolarHBondContact O-N 3.27Å; S551-E554 WeakPolarHBondContact CB-OE2 3.45Å; S551-E554 PolarHBondContact N-OE2 3.22Å; S551-E554 PolarHBondContact O-N 2.84Å; S551-E554 WeakPolarHBondContact OG-CB 3.43Å; S551-E554 WeakPolarHBondContact OG-CG 3.19Å; S551-E554 PolarHBondContact OG-N 2.77Å; S551-E554 PolarHBondContact OG-OE2 2.94Å; S551-A555 VanDerWaalsContact O-CB 3.28Å; S551-A555 WeakPolarHBondContact O-CB 3.42Å; S551-A555 PolarHBondContact O-N 3.42Å | ||
| 552 | R | 90.8 | Very high | 88.3 | Confident | 137 Ų | 137 | 66.8 Ų | 66.8 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 177.3 | -176.5 | 172.8 | -173.1 | 145.2 | 10.5 | 111.1 | I546 A555 E556 | I546-R552 HydrophobicContact CD1-CB 4.2Å; I546-R552 HydrophobicContact CD1-CG 4.3Å; R552-A555 PolarHBondContact O-N 2.68Å; R552-E556 HydrophobicContact CG-CG 4.41Å; R552-E556 WeakPolarHBondContact CG-OE1 3.25Å; R552-E556 IonicContact CZ-OE1 2.87Å; R552-E556 IonicContact NE-OE1 3.27Å; R552-E556 PolarHBondContact NE-OE1 3.24Å; R552-E556 IonicContact NH2-OE1 2.79Å; R552-E556 WeakPolarHBondContact O-CB 3.24Å; R552-E556 WeakPolarHBondContact O-CG 3.37Å; R552-E556 PolarHBondContact O-N 2.94Å |
| 553 | E | 93.5 | Very high | 88.3 | Confident | 136 Ų | 136 | 67.5 Ų | 67.5 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 178.9 | -64.5 | 75.6 | -167.3 | 0 | 0 | 111.6 | S551 E556 A557 | S551-E553 VanDerWaalsContact C-N 3.27Å; S551-E553 PolarHBondContact O-N 3.27Å; E553-E556 PolarHBondContact O-N 3.31Å; E553-A557 VanDerWaalsContact O-CB 3.32Å; E553-A557 WeakPolarHBondContact O-CB 3.47Å; E553-A557 PolarHBondContact O-N 3.5Å |
| 554 | E | 92.1 | Very high | 88.7 | Confident | 113 Ų | 113 | 65.5 Ų | 65.5 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 176.5 | -70.5 | 166.3 | 135.8 | 0 | 0 | 112 | L550 S551 A557 F558 | L550-E554 HydrophobicContact CB-CB 4.18Å; L550-E554 HydrophobicContact CD2-CB 4.05Å; L550-E554 HydrophobicContact CG-CB 4.33Å; S551-E554 WeakPolarHBondContact CB-OE2 3.45Å; S551-E554 PolarHBondContact N-OE2 3.22Å; S551-E554 PolarHBondContact O-N 2.84Å; S551-E554 WeakPolarHBondContact OG-CB 3.43Å; S551-E554 WeakPolarHBondContact OG-CG 3.19Å; S551-E554 PolarHBondContact OG-N 2.77Å; S551-E554 PolarHBondContact OG-OE2 2.94Å; E554-A557 PolarHBondContact O-N 3.46Å; E554-F558 VanDerWaalsContact O-CB 3.31Å; E554-F558 WeakPolarHBondContact O-CB 3.14Å; E554-F558 PolarHBondContact O-N 3.01Å |
| 555 | A | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I542 K545 I546 L550 S551 R552 F558 Y559 | I542-A555 HydrophobicContact CG2-CB 3.98Å; K545-A555 HydrophobicContact CB-CB 3.69Å; I546-A555 HydrophobicContact CG1-CB 3.85Å; L550-A555 HydrophobicContact CB-CB 4.36Å; S551-A555 VanDerWaalsContact O-CB 3.28Å; S551-A555 WeakPolarHBondContact O-CB 3.42Å; S551-A555 PolarHBondContact O-N 3.42Å; R552-A555 PolarHBondContact O-N 2.68Å; A555-F558 PolarHBondContact O-N 3.38Å; A555-Y559 WeakPolarHBondContact O-CB 3.36Å; A555-Y559 PolarHBondContact O-N 2.86Å |
| 556 | E | 93.8 | Very high | 89.7 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 175 | -77.1 | 177.3 | -173.4 | 0 | 0 | 111.7 | I542 R552 E553 Y559 A560 | I542-E556 HydrophobicContact CD1-CG 3.78Å; I542-E556 HydrophobicContact CG1-CG 4.31Å; I542-E556 HydrophobicContact CG2-CG 4.34Å; R552-E556 HydrophobicContact CG-CG 4.41Å; R552-E556 WeakPolarHBondContact CG-OE1 3.25Å; R552-E556 IonicContact CZ-OE1 2.87Å; R552-E556 IonicContact NE-OE1 3.27Å; R552-E556 PolarHBondContact NE-OE1 3.24Å; R552-E556 IonicContact NH2-OE1 2.79Å; R552-E556 WeakPolarHBondContact O-CB 3.24Å; R552-E556 WeakPolarHBondContact O-CG 3.37Å; R552-E556 PolarHBondContact O-N 2.94Å; E553-E556 PolarHBondContact O-N 3.31Å; E556-Y559 PolarHBondContact O-N 3.46Å; E556-A560 WeakPolarHBondContact O-CB 3.28Å; E556-A560 PolarHBondContact O-N 2.58Å |
| 557 | A | 92.7 | Very high | 90.1 | Very high | 49 Ų | 49 | 56.3 Ų | 56.3 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E553 E554 R561 | E553-A557 VanDerWaalsContact O-CB 3.32Å; E553-A557 WeakPolarHBondContact O-CB 3.47Å; E553-A557 PolarHBondContact O-N 3.5Å; E554-A557 PolarHBondContact O-N 3.46Å; A557-R561 WeakPolarHBondContact O-CB 3.38Å; A557-R561 PolarHBondContact O-N 2.92Å |
| 558 | F | 89.9 | Confident | 91 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 173 | -173.1 | -81.6 | 0 | 0 | 0 | 110.7 | K545 E554 A555 A560 R561 T562 | K545-F558 HydrophobicContact CD-CD1 4.01Å; K545-F558 HydrophobicContact CD-CE1 4.22Å; K545-F558 HydrophobicContact CD-CG 4.48Å; K545-F558 VanDerWaalsContact CE-CD1 3.4Å; K545-F558 HydrophobicContact CG-CD1 4.32Å; E554-F558 VanDerWaalsContact O-CB 3.31Å; E554-F558 WeakPolarHBondContact O-CB 3.14Å; E554-F558 PolarHBondContact O-N 3.01Å; A555-F558 PolarHBondContact O-N 3.38Å; F558-A560 PolarHBondContact O-N 2.91Å; F558-R561 PolarHBondContact O-N 2.92Å; F558-R561 VanDerWaalsContact O-N 3.16Å; F558-T562 VanDerWaalsContact CD1-OG1 3.31Å; F558-T562 WeakPolarHBondContact CD1-OG1 3.33Å; F558-T562 HydrophobicContact CE1-CG2 4.45Å; F558-T562 WeakPolarHBondContact CE1-OG1 3.21Å; F558-T562 HydrophobicContact CE2-CG2 4.38Å; F558-T562 HydrophobicContact CZ-CG2 4.19Å; F558-T562 WeakPolarHBondContact CZ-OG1 3.38Å; F558-T562 PolarHBondContact O-N 3.25Å; F558-T562 PolarHBondContact O-OG1 3Å; F558-T562 VanDerWaalsContact O-OG1 3.12Å |
| 559 | Y | 93 | Very high | 92 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 7% | 0.071 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -55.7 | -50.2 | 177.2 | 175 | -96.6 | 0 | 0 | 0 | 111.4 | R538 L541 I542 A555 E556 R561 D563 S564 | R538-Y559 HydrophobicContact CB-CE1 4.01Å; R538-Y559 HydrophobicContact CB-CE2 4.07Å; R538-Y559 WeakPolarHBondContact CB-OH 3.26Å; R538-Y559 HydrophobicContact CG-CD1 4.08Å; R538-Y559 HydrophobicContact CG-CE1 3.55Å; R538-Y559 HydrophobicContact CG-CE2 4.25Å; L541-Y559 HydrophobicContact CB-CD2 3.87Å; L541-Y559 HydrophobicContact CB-CE2 4.2Å; L541-Y559 HydrophobicContact CD1-CD2 4.1Å; L541-Y559 HydrophobicContact CD1-CE2 3.74Å; I542-Y559 HydrophobicContact CD1-CG 4.43Å; I542-Y559 HydrophobicContact CG1-CG 4.13Å; A555-Y559 WeakPolarHBondContact O-CB 3.36Å; A555-Y559 PolarHBondContact O-N 2.86Å; E556-Y559 PolarHBondContact O-N 3.46Å; Y559-R561 VanDerWaalsContact C-N 3.27Å; Y559-R561 PolarHBondContact O-N 3.15Å; Y559-D563 HydrophobicContact CD2-CB 3.74Å; Y559-D563 HydrophobicContact CE2-CB 4.23Å; Y559-D563 PolarHBondContact O-N 3.25Å; Y559-D563 VanDerWaalsContact O-N 3.15Å; Y559-S564 VanDerWaalsContact O-CB 3.32Å; Y559-S564 WeakPolarHBondContact O-CB 3.33Å; Y559-S564 PolarHBondContact O-N 2.9Å |
| 560 | A | 93 | Very high | 92.7 | Very high | 66 Ų | 66 | 54.6 Ų | 54.6 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -61.3 | -34.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E556 F558 P565 | E556-A560 WeakPolarHBondContact O-CB 3.28Å; E556-A560 PolarHBondContact O-N 2.58Å; F558-A560 PolarHBondContact O-N 2.91Å; A560-P565 WeakPolarHBondContact O-CD 3.44Å |
| 561 | R | 91.1 | Very high | 93.2 | Very high | 113 Ų | 113 | 54 Ų | 54 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -81.7 | -36.7 | -177.2 | -176.1 | 175.9 | 62.4 | -110.4 | -0.2 | 113.6 | Y455 A557 F558 Y559 | Y455-R561 HydrophobicContact CE1-CG 4.45Å; A557-R561 WeakPolarHBondContact O-CB 3.38Å; A557-R561 PolarHBondContact O-N 2.92Å; F558-R561 PolarHBondContact O-N 2.92Å; F558-R561 VanDerWaalsContact O-N 3.16Å; Y559-R561 VanDerWaalsContact C-N 3.27Å; Y559-R561 PolarHBondContact O-N 3.15Å |
| 562 | T | 91 | Very high | 93.4 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -124.7 | -56.6 | -169.4 | 68.3 | 0 | 0 | 0 | 0 | 112.9 | P454 F558 P565 N566 | P454-T562 WeakPolarHBondContact O-CG2 3.32Å; F558-T562 VanDerWaalsContact CD1-OG1 3.31Å; F558-T562 WeakPolarHBondContact CD1-OG1 3.33Å; F558-T562 HydrophobicContact CE1-CG2 4.45Å; F558-T562 WeakPolarHBondContact CE1-OG1 3.21Å; F558-T562 HydrophobicContact CE2-CG2 4.38Å; F558-T562 HydrophobicContact CZ-CG2 4.19Å; F558-T562 WeakPolarHBondContact CZ-OG1 3.38Å; F558-T562 PolarHBondContact O-N 3.25Å; F558-T562 PolarHBondContact O-OG1 3Å; F558-T562 VanDerWaalsContact O-OG1 3.12Å; T562-P565 WeakPolarHBondContact O-CD 3.33Å; T562-N566 WeakPolarHBondContact O-CB 3.39Å; T562-N566 PolarHBondContact O-N 3.22Å; T562-N566 PolarHBondContact O-ND2 3.12Å; T562-N566 VanDerWaalsContact O-ND2 3.14Å |
| 563 | D | 92.6 | Very high | 93.6 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -74.3 | -38.8 | -167.4 | -63.6 | -26.6 | 0 | 0 | 0 | 111 | L541 Y559 N566 V567 | L541-D563 HydrophobicContact CD1-CB 3.94Å; L541-D563 HydrophobicContact CD2-CB 4.47Å; Y559-D563 HydrophobicContact CD2-CB 3.74Å; Y559-D563 HydrophobicContact CE2-CB 4.23Å; Y559-D563 PolarHBondContact O-N 3.25Å; Y559-D563 VanDerWaalsContact O-N 3.15Å; D563-N566 PolarHBondContact O-N 3.33Å; D563-V567 VanDerWaalsContact O-CG2 3.31Å; D563-V567 WeakPolarHBondContact O-CG2 3.15Å; D563-V567 PolarHBondContact O-N 3.17Å |
| 564 | S | 94.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 50 Ų | 50 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -51.9 | 178 | -169.5 | 0 | 0 | 0 | 0 | 112.5 | Y559 N566 V567 E568 | Y559-S564 VanDerWaalsContact O-CB 3.32Å; Y559-S564 WeakPolarHBondContact O-CB 3.33Å; Y559-S564 PolarHBondContact O-N 2.9Å; S564-N566 PolarHBondContact O-N 3.29Å; S564-V567 PolarHBondContact O-N 3.34Å; S564-E568 WeakPolarHBondContact O-CG 3.32Å; S564-E568 PolarHBondContact O-N 2.91Å |
| 565 | P | 94.9 | Very high | 93.8 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 38% | 0.383 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56 | -35.7 | 172.5 | -27.2 | 34.8 | 0 | 0 | 0 | 113.1 | A560 T562 R569 | A560-P565 WeakPolarHBondContact O-CD 3.44Å; T562-P565 WeakPolarHBondContact O-CD 3.33Å; P565-R569 VanDerWaalsContact O-CB 3.31Å; P565-R569 WeakPolarHBondContact O-CB 3.39Å; P565-R569 PolarHBondContact O-N 3.26Å |
| 566 | N | 95.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.053 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.5 | -45.7 | 178.1 | -72.6 | -20.7 | 0 | 0 | 0 | 112 | P408 A458 W509 T562 D563 S564 E568 R569 V570 | P408-N566 HydrophobicContact CG-CB 4.35Å; A458-N566 WeakPolarHBondContact CA-OD1 2.94Å; W509-N566 HydrophobicContact CH2-CB 3.89Å; W509-N566 WeakPolarHBondContact CH2-O 3.49Å; W509-N566 HydrophobicContact CZ2-CB 3.88Å; T562-N566 WeakPolarHBondContact O-CB 3.39Å; T562-N566 PolarHBondContact O-N 3.22Å; T562-N566 PolarHBondContact O-ND2 3.12Å; T562-N566 VanDerWaalsContact O-ND2 3.14Å; D563-N566 PolarHBondContact O-N 3.33Å; S564-N566 PolarHBondContact O-N 3.29Å; N566-E568 VanDerWaalsContact C-N 3.33Å; N566-E568 PolarHBondContact O-N 2.95Å; N566-R569 PolarHBondContact O-N 3.05Å; N566-V570 VanDerWaalsContact O-CG2 3.3Å; N566-V570 WeakPolarHBondContact O-CG2 3.38Å; N566-V570 PolarHBondContact O-N 2.87Å |
| 567 | V | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.7 | -49.8 | 174.6 | 168 | 0 | 0 | 0 | 0 | 110.4 | P407 P408 A534 L537 L541 D563 S564 R569 V570 L571 | P407-V567 HydrophobicContact CB-CG1 4.34Å; P407-V567 HydrophobicContact CB-CG2 4.32Å; P408-V567 HydrophobicContact CG-CG2 3.71Å; A534-V567 HydrophobicContact CB-CG1 3.83Å; L537-V567 HydrophobicContact CB-CG2 4.39Å; L537-V567 HydrophobicContact CD1-CG1 3.75Å; L537-V567 HydrophobicContact CD1-CG2 4.06Å; L541-V567 HydrophobicContact CD1-CG2 3.91Å; D563-V567 VanDerWaalsContact O-CG2 3.31Å; D563-V567 WeakPolarHBondContact O-CG2 3.15Å; D563-V567 PolarHBondContact O-N 3.17Å; S564-V567 PolarHBondContact O-N 3.34Å; V567-R569 PolarHBondContact O-N 3.32Å; V567-V570 PolarHBondContact O-N 3.41Å; V567-L571 HydrophobicContact CG1-CD1 3.77Å; V567-L571 HydrophobicContact CG1-CG 4.46Å; V567-L571 WeakPolarHBondContact O-CB 3.18Å; V567-L571 WeakPolarHBondContact O-CG 3.37Å; V567-L571 PolarHBondContact O-N 3.31Å |
| 568 | E | 95.3 | Very high | 94.1 | Very high | 115 Ų | 115 | 56.1 Ų | 56.1 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 179.3 | -72.9 | 175.1 | -167.7 | 0 | 0 | 111.7 | S564 N566 V570 L571 M572 | S564-E568 WeakPolarHBondContact O-CG 3.32Å; S564-E568 PolarHBondContact O-N 2.91Å; N566-E568 VanDerWaalsContact C-N 3.33Å; N566-E568 PolarHBondContact O-N 2.95Å; E568-V570 PolarHBondContact O-N 2.9Å; E568-L571 PolarHBondContact O-N 3.08Å; E568-M572 VanDerWaalsContact O-CB 3.24Å; E568-M572 WeakPolarHBondContact O-CB 3.4Å; E568-M572 VanDerWaalsContact O-CG 3.25Å; E568-M572 WeakPolarHBondContact O-CG 3.26Å; E568-M572 PolarHBondContact O-N 3.45Å |
| 569 | R | 95.7 | Very high | 94.4 | Very high | 75 Ų | 75 | 54.9 Ų | 54.9 | 28% | 0.283 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | -179.6 | -168.9 | 173.5 | -175.6 | 178.1 | -2.4 | 112.4 | E460 W509 L512 P565 N566 V567 S573 | E460-R569 IonicContact OE1-CZ 2.66Å; E460-R569 IonicContact OE1-NH1 3.42Å; E460-R569 PolarHBondContact OE1-NH1 3.22Å; E460-R569 IonicContact OE1-NH2 3.52Å; E460-R569 PolarHBondContact OE1-NH2 3.48Å; E460-R569 IonicContact OE2-NH1 2.73Å; E460-R569 PolarHBondContact OE2-NH1 3.01Å; W509-R569 HydrophobicContact CH2-CB 4.11Å; W509-R569 HydrophobicContact CH2-CG 4.44Å; W509-R569 HydrophobicContact CZ3-CB 3.95Å; W509-R569 HydrophobicContact CZ3-CG 3.96Å; L512-R569 HydrophobicContact CD1-CG 4.09Å; P565-R569 VanDerWaalsContact O-CB 3.31Å; P565-R569 WeakPolarHBondContact O-CB 3.39Å; P565-R569 PolarHBondContact O-N 3.26Å; N566-R569 PolarHBondContact O-N 3.05Å; V567-R569 PolarHBondContact O-N 3.32Å; R569-S573 WeakPolarHBondContact O-CA 3.42Å; R569-S573 VanDerWaalsContact O-CB 3.26Å; R569-S573 WeakPolarHBondContact O-CB 3.36Å; R569-S573 PolarHBondContact O-N 3.45Å |
| 570 | V | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 174.9 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | P407 N508 W509 F529 N566 V567 E568 S574 | P407-V570 HydrophobicContact CB-CB 4.42Å; P407-V570 HydrophobicContact CB-CG1 4.39Å; P407-V570 HydrophobicContact CG-CB 4.23Å; P407-V570 HydrophobicContact CG-CG1 3.88Å; N508-V570 HydrophobicContact CB-CG2 3.91Å; N508-V570 WeakPolarHBondContact O-CG1 3.34Å; N508-V570 VanDerWaalsContact O-CG2 3.26Å; N508-V570 WeakPolarHBondContact O-CG2 3.39Å; W509-V570 HydrophobicContact CD2-CG2 4.32Å; W509-V570 HydrophobicContact CE3-CG2 3.61Å; W509-V570 HydrophobicContact CH2-CG2 3.62Å; W509-V570 HydrophobicContact CZ2-CG2 4.3Å; W509-V570 HydrophobicContact CZ3-CB 4.28Å; W509-V570 HydrophobicContact CZ3-CG2 3.23Å; F529-V570 HydrophobicContact CE2-CG1 3.78Å; F529-V570 HydrophobicContact CZ-CG1 3.83Å; N566-V570 VanDerWaalsContact O-CG2 3.3Å; N566-V570 WeakPolarHBondContact O-CG2 3.38Å; N566-V570 PolarHBondContact O-N 2.87Å; V567-V570 PolarHBondContact O-N 3.41Å; E568-V570 PolarHBondContact O-N 2.9Å; V570-S574 VanDerWaalsContact O-CB 3.26Å; V570-S574 WeakPolarHBondContact O-CB 3.38Å; V570-S574 PolarHBondContact O-N 2.95Å; V570-S574 PolarHBondContact O-OG 2.89Å |
| 571 | L | 94.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 54 Ų | 54 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.3 | -37.9 | -178 | -70.5 | 174.2 | 0 | 0 | 0 | 112.9 | P407 F529 A534 V567 E568 | P407-L571 HydrophobicContact CG-CD2 3.55Å; P407-L571 HydrophobicContact CG-CG 3.77Å; F529-L571 HydrophobicContact CE1-CD2 4.25Å; F529-L571 HydrophobicContact CZ-CD2 4.35Å; A534-L571 HydrophobicContact CB-CD1 4.22Å; V567-L571 HydrophobicContact CG1-CD1 3.77Å; V567-L571 HydrophobicContact CG1-CG 4.46Å; V567-L571 WeakPolarHBondContact O-CB 3.18Å; V567-L571 WeakPolarHBondContact O-CG 3.37Å; V567-L571 PolarHBondContact O-N 3.31Å; E568-L571 PolarHBondContact O-N 3.08Å |
| 572 | M | 94.1 | Very high | 94.4 | Very high | 158 Ų | 158 | 52.2 Ų | 52.2 | 78% | 0.778 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -95.6 | -23.9 | -171.2 | -65 | -64.5 | -65.8 | 0 | 0 | 114.3 | E568 | E568-M572 VanDerWaalsContact O-CB 3.24Å; E568-M572 WeakPolarHBondContact O-CB 3.4Å; E568-M572 VanDerWaalsContact O-CG 3.25Å; E568-M572 WeakPolarHBondContact O-CG 3.26Å; E568-M572 PolarHBondContact O-N 3.45Å |
| 573 | S | 95.2 | Very high | 94.4 | Very high | 49 Ų | 49 | 52 Ų | 52 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -122.9 | 12.4 | -170.4 | -51.3 | 0 | 0 | 0 | 0 | 113.6 | D513 R569 | D513-S573 VanDerWaalsContact CB-O 3.26Å; D513-S573 WeakPolarHBondContact CB-O 3.33Å; D513-S573 PolarHBondContact N-O 2.99Å; R569-S573 WeakPolarHBondContact O-CA 3.42Å; R569-S573 VanDerWaalsContact O-CB 3.26Å; R569-S573 WeakPolarHBondContact O-CB 3.36Å; R569-S573 PolarHBondContact O-N 3.45Å |
| 574 | S | 95.3 | Very high | 94.1 | Very high | 28 Ų | 28 | 53 Ų | 53 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -84.1 | 140.2 | 170.4 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | L511 F529 V570 | L511-S574 CarbonylContact O-C 3.52Å; L511-S574 WeakPolarHBondContact O-CA 3.16Å; F529-S574 WeakPolarHBondContact CE2-OG 3.36Å; V570-S574 VanDerWaalsContact O-CB 3.26Å; V570-S574 WeakPolarHBondContact O-CB 3.38Å; V570-S574 PolarHBondContact O-N 2.95Å; V570-S574 PolarHBondContact O-OG 2.89Å |
| 575 | R | 94.8 | Very high | 93.5 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 159 | 169.7 | -62.1 | 178.5 | -66.8 | 170.6 | -3 | 110.5 | L511 D513 A577 | L511-R575 WeakPolarHBondContact O-CB 3.45Å; L511-R575 WeakPolarHBondContact O-CG 3.4Å; L511-R575 PolarHBondContact O-N 3.19Å; D513-R575 HydrophobicContact CB-CG 3.68Å; R575-A577 PolarHBondContact O-N 2.86Å |
| 576 | Q | 93.7 | Very high | 92.6 | Very high | 182 Ų | 182 | 63.9 Ų | 63.9 | 85% | 0.85 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -63 | 125.6 | 177.9 | -172.9 | 174.7 | 11.4 | 0 | 0 | 111.2 | ||
| 577 | A | 95.3 | Very high | 91.8 | Very high | 10 Ų | 10 | 64.2 Ų | 64.2 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 163.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L511 S527 F529 R575 L579 | L511-A577 HydrophobicContact CD1-CB 3.64Å; S527-A577 WeakPolarHBondContact OG-CA 3.19Å; F529-A577 HydrophobicContact CB-CB 3.61Å; R575-A577 PolarHBondContact O-N 2.86Å; A577-L579 PolarHBondContact O-N 3.25Å |
| 578 | N | 95.7 | Very high | 91.3 | Very high | 98 Ų | 98 | 68 Ų | 68 | 52% | 0.524 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -70.5 | -22.7 | 173.7 | -56.2 | 110.4 | 0 | 0 | 0 | 112.9 | F526 S527 | F526-N578 HydrophobicContact CD1-CB 4.41Å; F526-N578 HydrophobicContact CD2-CB 3.73Å; F526-N578 HydrophobicContact CE1-CB 4.14Å; F526-N578 HydrophobicContact CE2-CB 3.42Å; F526-N578 VanDerWaalsContact CE2-CB 3.42Å; F526-N578 HydrophobicContact CG-CB 4.22Å; F526-N578 HydrophobicContact CZ-CB 3.63Å; S527-N578 PolarHBondContact N-OD1 2.96Å; S527-N578 WeakPolarHBondContact O-CA 3.34Å; S527-N578 WeakPolarHBondContact O-CB 3.47Å; S527-N578 PolarHBondContact O-N 3.48Å; S527-N578 PolarHBondContact OG-N 3.4Å; S527-N578 PolarHBondContact OG-OD1 2.99Å |
| 579 | L | 94.9 | Very high | 91 | Very high | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 138.2 | 176.3 | -177.8 | 67.1 | 0 | 0 | 0 | 110.5 | L384 F526 S527 I528 F529 A577 V581 F591 | L384-L579 HydrophobicContact CD1-CD2 3.32Å; L384-L579 HydrophobicContact CD2-CD2 4.47Å; L384-L579 HydrophobicContact CG-CD2 4.5Å; F526-L579 HydrophobicContact CE1-CB 3.81Å; F526-L579 HydrophobicContact CE1-CD2 4.41Å; F526-L579 HydrophobicContact CZ-CB 3.92Å; S527-L579 PolarHBondContact O-N 3.34Å; I528-L579 CarbonylContact C-O 3.54Å; I528-L579 WeakPolarHBondContact CA-O 3.48Å; I528-L579 HydrophobicContact CG1-CB 4.4Å; I528-L579 HydrophobicContact CG1-CD2 4.4Å; F529-L579 PolarHBondContact N-O 3.41Å; A577-L579 PolarHBondContact O-N 3.25Å; L579-V581 HydrophobicContact CD2-CG2 4.32Å; L579-V581 HydrophobicContact CG-CG2 4.38Å; L579-F591 HydrophobicContact CD1-CD1 4.01Å; L579-F591 HydrophobicContact CD1-CE1 4.49Å; L579-F591 HydrophobicContact CD2-CD1 4.13Å; L579-F591 HydrophobicContact CD2-CE1 3.88Å; L579-F591 HydrophobicContact CG-CD1 4.39Å |
| 580 | I | 93.8 | Very high | 90.5 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 30% | 0.303 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.8 | 173.1 | -57.3 | 177 | 0 | 0 | 0 | 108.8 | F529 H531 I592 | F529-I580 WeakPolarHBondContact O-CA 3.34Å; H531-I580 HydrophobicContact CB-CG2 4.09Å; I580-I592 HydrophobicContact CG2-CB 4.31Å; I580-I592 HydrophobicContact CG2-CD1 3.92Å; I580-I592 HydrophobicContact CG2-CG1 4.49Å; I580-I592 PolarHBondContact O-N 3.44Å; I580-I592 VanDerWaalsContact O-N 3.11Å |
| 581 | V | 92.5 | Very high | 89.8 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.4 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | I528 F529 I530 H531 L579 Y589 H590 F591 | I528-V581 HydrophobicContact CG2-CG2 3.93Å; F529-V581 PolarHBondContact O-N 2.91Å; I530-V581 CarbonylContact C-O 3.54Å; I530-V581 VanDerWaalsContact CA-O 3.29Å; I530-V581 WeakPolarHBondContact CA-O 3.42Å; H531-V581 PolarHBondContact N-O 2.71Å; L579-V581 HydrophobicContact CD2-CG2 4.32Å; L579-V581 HydrophobicContact CG-CG2 4.38Å; V581-Y589 HydrophobicContact CG1-CD1 3.79Å; V581-Y589 HydrophobicContact CG1-CG 4.2Å; V581-H590 CarbonylContact C-O 3.21Å; V581-H590 WeakPolarHBondContact CA-O 3.46Å; V581-H590 WeakPolarHBondContact CG1-O 3.27Å; V581-F591 HydrophobicContact CG2-CD1 4.17Å; V581-F591 HydrophobicContact CG2-CE1 4.35Å |
| 582 | E | 91.9 | Very high | 88.8 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 136 | 172.8 | -152.5 | 161.2 | -159.6 | 0 | 0 | 110.6 | H531 Y589 H590 I592 | H531-E582 IonicContact ND1-OE1 2.64Å; H531-E582 CarbonylContact O-C 3.32Å; H531-E582 WeakPolarHBondContact O-CA 3.4Å; E582-Y589 CarbonylContact O-C 3.56Å; E582-Y589 VanDerWaalsContact O-CA 3.29Å; E582-Y589 WeakPolarHBondContact O-CA 3.47Å; E582-H590 PolarHBondContact N-O 3.49Å; E582-H590 PolarHBondContact O-N 2.95Å; E582-I592 HydrophobicContact CB-CD1 3.43Å; E582-I592 VanDerWaalsContact CB-CD1 3.43Å; E582-I592 HydrophobicContact CB-CG1 3.61Å; E582-I592 HydrophobicContact CG-CD1 3.75Å; E582-I592 HydrophobicContact CG-CG1 4.38Å |
| 583 | M | 90.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122 | 164.4 | -169.8 | -171.3 | 79.6 | 0 | 0 | 109.3 | I530 H531 A532 I536 L537 R540 R588 Y589 | I530-M583 HydrophobicContact CG2-CB 4.16Å; H531-M583 PolarHBondContact O-N 2.95Å; A532-M583 HydrophobicContact CB-CB 4.13Å; A532-M583 HydrophobicContact CB-CE 3.79Å; I536-M583 HydrophobicContact CG2-CE 3.91Å; L537-M583 HydrophobicContact CD2-CE 4.08Å; R540-M583 PolarHBondContact NH1-SD 3.16Å; M583-R588 CarbonylContact C-O 3.5Å; M583-R588 WeakPolarHBondContact CA-O 3.48Å; M583-Y589 HydrophobicContact CB-CD1 4.13Å; M583-Y589 HydrophobicContact CB-CE1 3.86Å; M583-Y589 HydrophobicContact CG-CD1 4.36Å; M583-Y589 HydrophobicContact CG-CE1 3.89Å; M583-Y589 HydrophobicContact SD-CE1 4.38Å |
| 584 | T | 86.2 | Confident | 86.4 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 22% | 0.221 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 171.1 | 177.4 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | E586 G587 R588 H590 | T584-E586 PolarHBondContact O-N 3.19Å; T584-G587 WeakPolarHBondContact O-CA 3.5Å; T584-G587 PolarHBondContact O-N 3.07Å; T584-R588 HydrophobicContact CG2-CB 4.45Å; T584-R588 PolarHBondContact N-O 3.23Å; T584-R588 WeakPolarHBondContact OG1-CB 3.34Å; T584-R588 PolarHBondContact OG1-N 3.16Å; T584-R588 VanDerWaalsContact OG1-N 3.15Å; T584-R588 PolarHBondContact OG1-O 3.34Å; T584-H590 WeakPolarHBondContact CG2-CD2 3.28Å; T584-H590 WeakPolarHBondContact CG2-NE2 3.44Å |
| 585 | E | 80.7 | Confident | 85.9 | Confident | 163 Ų | 163 | 71.4 Ų | 71.4 | 76% | 0.762 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -35.8 | 173.3 | -67.6 | -173.2 | 169.1 | 0 | 0 | 112.7 | I536 G587 | I536-E585 HydrophobicContact CD1-CB 4.13Å; I536-E585 HydrophobicContact CD1-CG 3.58Å; I536-E585 HydrophobicContact CG1-CB 4.34Å; I536-E585 HydrophobicContact CG1-CG 3.8Å; E585-G587 PolarHBondContact O-N 3.18Å |
| 586 | E | 77.5 | Confident | 85.4 | Confident | 149 Ų | 149 | 71.7 Ų | 71.7 | 70% | 0.696 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9 | 176.2 | -62.3 | 179.7 | -174.4 | 0 | 0 | 113 | T584 R588 | T584-E586 PolarHBondContact O-N 3.19Å; E586-R588 HydrophobicContact CB-CG 4.35Å; E586-R588 IonicContact OE2-CZ 3.77Å; E586-R588 IonicContact OE2-NE 3.65Å; E586-R588 PolarHBondContact OE2-NE 2.97Å; E586-R588 VanDerWaalsContact OE2-NE 3.1Å; E586-R588 IonicContact OE2-NH2 3.32Å |
| 587 | G | 79.2 | Confident | 84.9 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 17% | 0.165 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 85 | 10 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T584 E585 | T584-G587 WeakPolarHBondContact O-CA 3.5Å; T584-G587 PolarHBondContact O-N 3.07Å; E585-G587 PolarHBondContact O-N 3.18Å |
| 588 | R | 84.8 | Confident | 84.2 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 31% | 0.306 | 36% | 0.357 | S | S | . | . | trans | -76.6 | 148.7 | 173.9 | -59.2 | -173.4 | -171.8 | -132.8 | -3.4 | 110.9 | D375 E376 M583 T584 E586 | D375-R588 IonicContact OD1-NH1 3.98Å; D375-R588 IonicContact OD2-NH1 3.83Å; E376-R588 VanDerWaalsContact OE2-CA 3.28Å; E376-R588 WeakPolarHBondContact OE2-CA 3.29Å; E376-R588 WeakPolarHBondContact OE2-CB 3.38Å; E376-R588 WeakPolarHBondContact OE2-CG 3.45Å; M583-R588 CarbonylContact C-O 3.5Å; M583-R588 WeakPolarHBondContact CA-O 3.48Å; T584-R588 HydrophobicContact CG2-CB 4.45Å; T584-R588 PolarHBondContact N-O 3.23Å; T584-R588 WeakPolarHBondContact OG1-CB 3.34Å; T584-R588 PolarHBondContact OG1-N 3.16Å; T584-R588 VanDerWaalsContact OG1-N 3.15Å; T584-R588 PolarHBondContact OG1-O 3.34Å; E586-R588 HydrophobicContact CB-CG 4.35Å; E586-R588 IonicContact OE2-CZ 3.77Å; E586-R588 IonicContact OE2-NE 3.65Å; E586-R588 PolarHBondContact OE2-NE 2.97Å; E586-R588 VanDerWaalsContact OE2-NE 3.1Å; E586-R588 IonicContact OE2-NH2 3.32Å | ||
| 589 | Y | 88.3 | Confident | 83.5 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 4% | 0.035 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135.7 | 176.6 | -65.4 | -77.7 | 0 | 0 | 0 | 112.1 | Y372 E376 V380 H381 T410 L415 I530 V581 E582 M583 | Y372-Y589 HydrophobicContact CE1-CD2 4.24Å; Y372-Y589 HydrophobicContact CE1-CE2 4.04Å; E376-Y589 VanDerWaalsContact CD-N 3.33Å; E376-Y589 VanDerWaalsContact OE1-CD2 3.25Å; E376-Y589 WeakPolarHBondContact OE1-CD2 3.42Å; E376-Y589 PolarHBondContact OE1-N 3.29Å; V380-Y589 WeakPolarHBondContact CG2-O 3.44Å; H381-Y589 AromaticContact CE1-CD2 3.85Å; T410-Y589 PolarHBondContact O-OH 2.87Å; L415-Y589 HydrophobicContact CD1-CD2 4.32Å; L415-Y589 HydrophobicContact CD1-CE2 4.12Å; L415-Y589 HydrophobicContact CD2-CE1 4.27Å; L415-Y589 HydrophobicContact CD2-CE2 4.33Å; I530-Y589 HydrophobicContact CD1-CE1 4.03Å; I530-Y589 HydrophobicContact CG2-CD1 4.35Å; I530-Y589 HydrophobicContact CG2-CE1 3.79Å; V581-Y589 HydrophobicContact CG1-CD1 3.79Å; V581-Y589 HydrophobicContact CG1-CG 4.2Å; E582-Y589 CarbonylContact O-C 3.56Å; E582-Y589 VanDerWaalsContact O-CA 3.29Å; E582-Y589 WeakPolarHBondContact O-CA 3.47Å; M583-Y589 HydrophobicContact CB-CD1 4.13Å; M583-Y589 HydrophobicContact CB-CE1 3.86Å; M583-Y589 HydrophobicContact CG-CD1 4.36Å; M583-Y589 HydrophobicContact CG-CE1 3.89Å; M583-Y589 HydrophobicContact SD-CE1 4.38Å |
| 590 | H | 85.5 | Confident | 82.7 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.5 | 172.7 | -52.7 | -51.1 | 0 | 0 | 0 | 110.7 | V581 E582 T584 | V581-H590 CarbonylContact C-O 3.21Å; V581-H590 WeakPolarHBondContact CA-O 3.46Å; V581-H590 WeakPolarHBondContact CG1-O 3.27Å; E582-H590 PolarHBondContact N-O 3.49Å; E582-H590 PolarHBondContact O-N 2.95Å; T584-H590 WeakPolarHBondContact CG2-CD2 3.28Å; T584-H590 WeakPolarHBondContact CG2-NE2 3.44Å |
| 591 | F | 82.1 | Confident | 81.8 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 132 | 175.2 | -61.7 | -63 | 0 | 0 | 0 | 110.9 | V380 L384 L579 V581 | V380-F591 HydrophobicContact CB-CE2 4.37Å; V380-F591 HydrophobicContact CG1-CE1 4.27Å; V380-F591 HydrophobicContact CG1-CE2 4.08Å; V380-F591 HydrophobicContact CG1-CZ 3.96Å; V380-F591 VanDerWaalsContact O-CZ 3.26Å; V380-F591 WeakPolarHBondContact O-CZ 3.27Å; L384-F591 HydrophobicContact CB-CE1 4.23Å; L384-F591 HydrophobicContact CB-CZ 3.99Å; L384-F591 HydrophobicContact CD1-CE1 4.5Å; L384-F591 HydrophobicContact CD2-CE1 4.46Å; L579-F591 HydrophobicContact CD1-CD1 4.01Å; L579-F591 HydrophobicContact CD1-CE1 4.49Å; L579-F591 HydrophobicContact CD2-CD1 4.13Å; L579-F591 HydrophobicContact CD2-CE1 3.88Å; L579-F591 HydrophobicContact CG-CD1 4.39Å; V581-F591 HydrophobicContact CG2-CD1 4.17Å; V581-F591 HydrophobicContact CG2-CE1 4.35Å |
| 592 | I | 72.2 | Confident | 80.9 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 29% | 0.287 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 106.4 | 165.1 | -51.8 | 171.3 | 0 | 0 | 0 | 106.2 | H531 I580 E582 | H531-I592 HydrophobicContact CB-CD1 4.44Å; I580-I592 HydrophobicContact CG2-CB 4.31Å; I580-I592 HydrophobicContact CG2-CD1 3.92Å; I580-I592 HydrophobicContact CG2-CG1 4.49Å; I580-I592 PolarHBondContact O-N 3.44Å; I580-I592 VanDerWaalsContact O-N 3.11Å; E582-I592 HydrophobicContact CB-CD1 3.43Å; E582-I592 VanDerWaalsContact CB-CD1 3.43Å; E582-I592 HydrophobicContact CB-CG1 3.61Å; E582-I592 HydrophobicContact CG-CD1 3.75Å; E582-I592 HydrophobicContact CG-CG1 4.38Å |
| 593 | S | 51.9 | Low | 79.9 | Confident | 176 Ų | 176 | 76.7 Ų | 76.7 | 100% | 1.231 | 40% | 0.401 | S | S | * | . | trans | 15.4 | 0 | 172.3 | 64.3 | 0 | 0 | 0 | 0 | 118.4 |
Retrieved 593 of 593 residues in 178.4 ms
(Link to these results)