| 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 | 77.3 | Confident | 94.5 | Very high | 173 Ų | 173 | 84.9 Ų | 84.9 | 85% | 0.852 | 43% | 0.432 | S | S | * | . | 0 | 134.3 | 0 | -155.5 | 62.7 | 91.3 | 0 | 0 | 110.6 | L5 Q6 | M1-L5 HydrophobicContact SD-CD2 3.94Å; M1-Q6 HydrophobicContact CB-CG 4.47Å; M1-Q6 HydrophobicContact CG-CG 3.61Å | |||
| 2 | S | 93.5 | Very high | 94.6 | Very high | 67 Ų | 67 | 86.4 Ų | 86.4 | 47% | 0.469 | 44% | 0.442 | S | S | . | . | trans | -79.6 | 142.7 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | L5 Q6 | S2-L5 PolarHBondContact O-N 3.21Å; S2-Q6 WeakPolarHBondContact O-CG 3.33Å; S2-Q6 PolarHBondContact O-N 3.43Å; S2-Q6 VanDerWaalsContact O-N 3.16Å | ||
| 3 | S | 95.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 87.2 Ų | 87.2 | 22% | 0.224 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 178.8 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | W7 V44 | S3-W7 WeakPolarHBondContact O-CB 3.48Å; S3-W7 PolarHBondContact O-N 3.35Å; S3-V44 VanDerWaalsContact CB-O 3.28Å; S3-V44 WeakPolarHBondContact CB-O 3.2Å |
| 4 | H | 97 | Very high | 94.9 | Very high | 114 Ų | 114 | 82.9 Ų | 82.9 | 53% | 0.528 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | 178.1 | -77.2 | -86.1 | 0 | 0 | 0 | 111.9 | W7 M8 F38 | H4-W7 PolarHBondContact O-N 3.29Å; H4-M8 WeakPolarHBondContact O-CG 3.47Å; H4-M8 PolarHBondContact O-N 2.97Å; H4-F38 AromaticContact CD2-CZ 3.87Å; H4-F38 AromaticContact CE1-CE1 3.58Å; H4-F38 AromaticContact CE1-CZ 3.62Å; H4-F38 AromaticContact ND1-CZ 3.89Å; H4-F38 AromaticContact NE2-CE1 3.72Å; H4-F38 AromaticContact NE2-CZ 3.57Å |
| 5 | L | 96.8 | Very high | 95 | Very high | 100 Ų | 100 | 84.9 Ų | 84.9 | 52% | 0.524 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 176.4 | 179.1 | 62.1 | 0 | 0 | 0 | 110.8 | M1 S2 W7 M8 V9 | M1-L5 HydrophobicContact SD-CD2 3.94Å; S2-L5 PolarHBondContact O-N 3.21Å; L5-W7 VanDerWaalsContact C-N 3.26Å; L5-W7 PolarHBondContact O-N 3.33Å; L5-M8 PolarHBondContact O-N 3.27Å; L5-M8 VanDerWaalsContact O-N 3.13Å; L5-V9 PolarHBondContact O-N 3.1Å; L5-V9 VanDerWaalsContact O-N 3.15Å |
| 6 | Q | 96.3 | Very high | 95.2 | Very high | 66 Ų | 66 | 83.7 Ų | 83.7 | 31% | 0.308 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 176.9 | -70.2 | 177 | -27.3 | 0 | 0 | 111.8 | M1 S2 V9 I10 V44 | M1-Q6 HydrophobicContact CB-CG 4.47Å; M1-Q6 HydrophobicContact CG-CG 3.61Å; S2-Q6 WeakPolarHBondContact O-CG 3.33Å; S2-Q6 PolarHBondContact O-N 3.43Å; S2-Q6 VanDerWaalsContact O-N 3.16Å; Q6-V9 PolarHBondContact O-N 2.98Å; Q6-I10 WeakPolarHBondContact O-CG1 3.42Å; Q6-I10 PolarHBondContact O-N 3.16Å; Q6-V44 HydrophobicContact CB-CB 4.2Å; Q6-V44 HydrophobicContact CB-CG1 3.81Å; Q6-V44 PolarHBondContact OE1-O 2.81Å |
| 7 | W | 97.7 | Very high | 95.3 | Very high | 32 Ų | 32 | 80.6 Ų | 80.6 | 12% | 0.121 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 176 | 176.7 | -111.6 | 0 | 0 | 0 | 112.8 | S3 H4 L5 V9 I10 R11 N36 F38 N41 | S3-W7 WeakPolarHBondContact O-CB 3.48Å; S3-W7 PolarHBondContact O-N 3.35Å; H4-W7 PolarHBondContact O-N 3.29Å; L5-W7 VanDerWaalsContact C-N 3.26Å; L5-W7 PolarHBondContact O-N 3.33Å; W7-V9 PolarHBondContact O-N 3.03Å; W7-I10 HydrophobicContact CE3-CG1 4.21Å; W7-I10 PolarHBondContact O-N 2.54Å; W7-R11 HydrophobicContact CD2-CB 4Å; W7-R11 HydrophobicContact CE3-CB 4.28Å; W7-R11 HydrophobicContact CH2-CB 4.07Å; W7-R11 HydrophobicContact CZ2-CB 3.77Å; W7-R11 HydrophobicContact CZ3-CB 4.3Å; W7-R11 WeakPolarHBondContact O-CB 3.37Å; W7-R11 VanDerWaalsContact O-CG 3.27Å; W7-R11 WeakPolarHBondContact O-CG 3.28Å; W7-R11 PolarHBondContact O-N 3.17Å; W7-N36 WeakPolarHBondContact CH2-OD1 3.33Å; W7-F38 HydrophobicContact CB-CD2 3.57Å; W7-F38 HydrophobicContact CB-CE2 3.84Å; W7-F38 AromaticContact CD1-CD2 3.86Å; W7-F38 HydrophobicContact CD2-CB 4.01Å; W7-F38 AromaticContact CD2-CD2 3.89Å; W7-F38 HydrophobicContact CD2-CD2 3.89Å; W7-F38 HydrophobicContact CD2-CG 4.45Å; W7-F38 HydrophobicContact CE3-CD2 4.46Å; W7-F38 HydrophobicContact CG-CB 4.22Å; W7-F38 AromaticContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CD2 3.45Å; W7-F38 VanDerWaalsContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CE2 4.2Å; W7-F38 HydrophobicContact CG-CG 4.23Å; W7-F38 HydrophobicContact CZ2-CB 4.27Å; W7-N41 HydrophobicContact CZ3-CB 4.39Å |
| 8 | M | 97.6 | Very high | 95.4 | Very high | 120 Ų | 120 | 79.6 Ų | 79.6 | 59% | 0.591 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.8 | -34.1 | 176.7 | -73.5 | -61.7 | -72.1 | 0 | 0 | 112.3 | H4 L5 R11 | H4-M8 WeakPolarHBondContact O-CG 3.47Å; H4-M8 PolarHBondContact O-N 2.97Å; L5-M8 PolarHBondContact O-N 3.27Å; L5-M8 VanDerWaalsContact O-N 3.13Å; M8-R11 PolarHBondContact SD-NH1 2.91Å |
| 9 | V | 96.3 | Very high | 95.5 | Very high | 93 Ų | 93 | 82.1 Ų | 82.1 | 56% | 0.564 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.8 | -58.5 | 172.3 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | L5 Q6 W7 R11 C13 | L5-V9 PolarHBondContact O-N 3.1Å; L5-V9 VanDerWaalsContact O-N 3.15Å; Q6-V9 PolarHBondContact O-N 2.98Å; W7-V9 PolarHBondContact O-N 3.03Å; V9-R11 PolarHBondContact O-N 3.04Å; V9-C13 PolarHBondContact O-SG 3.01Å |
| 10 | I | 96.7 | Very high | 95.5 | Very high | 40 Ų | 40 | 86.1 Ų | 86.1 | 21% | 0.205 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -83.2 | -15.8 | -165.5 | 72.7 | 173 | 0 | 0 | 0 | 115.2 | Q6 W7 N12 C13 S14 V44 | Q6-I10 WeakPolarHBondContact O-CG1 3.42Å; Q6-I10 PolarHBondContact O-N 3.16Å; W7-I10 HydrophobicContact CE3-CG1 4.21Å; W7-I10 PolarHBondContact O-N 2.54Å; I10-N12 PolarHBondContact O-N 3.23Å; I10-C13 PolarHBondContact O-N 2.77Å; I10-S14 WeakPolarHBondContact O-CB 3.5Å; I10-S14 PolarHBondContact O-N 3.18Å; I10-V44 HydrophobicContact CD1-CG1 3.42Å; I10-V44 VanDerWaalsContact CD1-CG1 3.42Å; I10-V44 HydrophobicContact CG1-CG1 4.2Å |
| 11 | R | 95.1 | Very high | 95.5 | Very high | 97 Ų | 97 | 89 Ų | 89 | 37% | 0.366 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.8 | -169.3 | 59.3 | -174.4 | -69.1 | -163.8 | -3.1 | 114.7 | W7 M8 V9 N36 | W7-R11 HydrophobicContact CD2-CB 4Å; W7-R11 HydrophobicContact CE3-CB 4.28Å; W7-R11 HydrophobicContact CH2-CB 4.07Å; W7-R11 HydrophobicContact CZ2-CB 3.77Å; W7-R11 HydrophobicContact CZ3-CB 4.3Å; W7-R11 WeakPolarHBondContact O-CB 3.37Å; W7-R11 VanDerWaalsContact O-CG 3.27Å; W7-R11 WeakPolarHBondContact O-CG 3.28Å; W7-R11 PolarHBondContact O-N 3.17Å; M8-R11 PolarHBondContact SD-NH1 2.91Å; V9-R11 PolarHBondContact O-N 3.04Å; R11-N36 PolarHBondContact O-ND2 3.01Å |
| 12 | N | 96 | Very high | 96.3 | Very high | 103 Ų | 103 | 85 Ų | 85 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.6 | -8.8 | -175.1 | -72.4 | -25.5 | 0 | 0 | 0 | 115.1 | I10 | I10-N12 PolarHBondContact O-N 3.23Š|
| 13 | C | 95.9 | Very high | 96.4 | Very high | 97 Ų | 97 | 86.5 Ų | 86.5 | 66% | 0.655 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.8 | 12.5 | -174.7 | 65.8 | 0 | 0 | 0 | 0 | 114.3 | V9 I10 | V9-C13 PolarHBondContact O-SG 3.01Å; I10-C13 PolarHBondContact O-N 2.77Å |
| 14 | S | 97.1 | Very high | 96.4 | Very high | 26 Ų | 26 | 88 Ų | 88 | 18% | 0.182 | 47% | 0.47 | C | S | . | . | trans | -68 | 141.2 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 112 | I10 F16 L17 | I10-S14 WeakPolarHBondContact O-CB 3.5Å; I10-S14 PolarHBondContact O-N 3.18Å; S14-F16 PolarHBondContact O-N 3.32Å; S14-F16 PolarHBondContact OG-N 2.99Å; S14-L17 WeakPolarHBondContact O-CB 3.32Å; S14-L17 PolarHBondContact O-N 3.33Å | ||
| 15 | S | 96.9 | Very high | 96.4 | Very high | 113 Ų | 113 | 86.5 Ų | 86.5 | 79% | 0.79 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.5 | 170.8 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | L17 | S15-L17 VanDerWaalsContact C-N 3.28Š|
| 16 | F | 97.5 | Very high | 96.5 | Very high | 66 Ų | 66 | 81.8 Ų | 81.8 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -8.3 | 175.3 | -60.3 | -67.8 | 0 | 0 | 0 | 113.2 | S14 S26 T27 E28 L43 | S14-F16 PolarHBondContact O-N 3.32Å; S14-F16 PolarHBondContact OG-N 2.99Å; F16-S26 VanDerWaalsContact O-CA 3.31Å; F16-S26 WeakPolarHBondContact O-CA 3.45Å; F16-T27 WeakPolarHBondContact CA-OG1 3.4Å; F16-T27 PolarHBondContact O-N 3.38Å; F16-T27 PolarHBondContact O-OG1 3Å; F16-E28 HydrophobicContact CB-CB 3.91Å; F16-E28 HydrophobicContact CD1-CB 4.08Å; F16-E28 HydrophobicContact CD2-CB 3.77Å; F16-E28 HydrophobicContact CE2-CB 4.31Å; F16-E28 HydrophobicContact CG-CB 3.64Å; F16-L43 HydrophobicContact CD2-CD1 3.89Å; F16-L43 HydrophobicContact CE2-CD1 3.77Å |
| 17 | L | 97.4 | Very high | 96.5 | Very high | 31 Ų | 31 | 82.7 Ų | 82.7 | 16% | 0.162 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126.9 | -175 | -174.5 | 58.1 | 0 | 0 | 0 | 110.7 | S14 S15 K19 T24 Y25 N36 | S14-L17 WeakPolarHBondContact O-CB 3.32Å; S14-L17 PolarHBondContact O-N 3.33Å; S15-L17 VanDerWaalsContact C-N 3.28Å; L17-K19 HydrophobicContact CG-CG 4.44Å; L17-T24 HydrophobicContact CD1-CG2 3.44Å; L17-T24 VanDerWaalsContact CD1-CG2 3.44Å; L17-Y25 WeakPolarHBondContact CD1-O 3.5Å; L17-N36 HydrophobicContact CD1-CB 3.81Å; L17-N36 VanDerWaalsContact CD1-ND2 3.27Å; L17-N36 WeakPolarHBondContact CD1-ND2 3.12Å |
| 18 | I | 97.3 | Very high | 96.4 | Very high | 62 Ų | 62 | 81.6 Ų | 81.6 | 32% | 0.318 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.6 | 174 | -59.2 | -178.1 | 0 | 0 | 0 | 108.7 | R20 T24 Y25 T27 | I18-R20 HydrophobicContact CG2-CG 4.18Å; I18-T24 WeakPolarHBondContact O-CA 3.49Å; I18-Y25 PolarHBondContact N-O 3.08Å; I18-Y25 PolarHBondContact O-N 2.89Å; I18-T27 HydrophobicContact CD1-CG2 3.4Å; I18-T27 HydrophobicContact CG1-CG2 4.19Å |
| 19 | K | 96.6 | Very high | 96.2 | Very high | 128 Ų | 128 | 78.8 Ų | 78.8 | 56% | 0.557 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 117.5 | 173.8 | -65.1 | 178.5 | -174.9 | 176.2 | 0 | 108.6 | L17 T24 | L17-K19 HydrophobicContact CG-CG 4.44Å; K19-T24 HydrophobicContact CG-CG2 4.06Å |
| 20 | R | 95.7 | Very high | 96.1 | Very high | 162 Ų | 162 | 75.2 Ų | 75.2 | 61% | 0.611 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157 | 146.8 | 177.7 | 61.3 | -176.2 | -179 | 178.3 | 0.9 | 110.8 | I18 G22 Q23 | I18-R20 HydrophobicContact CG2-CG 4.18Å; R20-G22 VanDerWaalsContact C-N 3.28Å; R20-G22 PolarHBondContact O-N 2.93Å; R20-Q23 PolarHBondContact N-O 3.46Å; R20-Q23 PolarHBondContact O-N 3.44Å; R20-Q23 VanDerWaalsContact O-O 3.1Å |
| 21 | N | 95.3 | Very high | 96.1 | Very high | 147 Ų | 147 | 73.4 Ų | 73.4 | 79% | 0.786 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 43 | 174.2 | -53.9 | -11.2 | 0 | 0 | 0 | 113.5 | Q23 | N21-Q23 PolarHBondContact O-N 3.19Å; N21-Q23 VanDerWaalsContact O-N 3.16Å |
| 22 | G | 93.9 | Very high | 96.2 | Very high | 90 Ų | 90 | 69.3 Ų | 69.3 | 93% | 0.928 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 7.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R20 | R20-G22 VanDerWaalsContact C-N 3.28Å; R20-G22 PolarHBondContact O-N 2.93Å |
| 23 | Q | 95.4 | Very high | 96.2 | Very high | 98 Ų | 98 | 69.3 Ų | 69.3 | 46% | 0.458 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147 | -175 | -64.4 | 169 | 46.3 | 0 | 0 | 111.2 | R20 N21 Y25 | R20-Q23 PolarHBondContact N-O 3.46Å; R20-Q23 PolarHBondContact O-N 3.44Å; R20-Q23 VanDerWaalsContact O-O 3.1Å; N21-Q23 PolarHBondContact O-N 3.19Å; N21-Q23 VanDerWaalsContact O-N 3.16Å; Q23-Y25 HydrophobicContact CB-CD2 4.28Å; Q23-Y25 HydrophobicContact CB-CE2 3.54Å; Q23-Y25 PolarHBondContact OE1-OH 3.34Å |
| 24 | T | 96.8 | Very high | 96.2 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.7 | -179.1 | -51 | 0 | 0 | 0 | 0 | 111.4 | L17 I18 K19 N36 | L17-T24 HydrophobicContact CD1-CG2 3.44Å; L17-T24 VanDerWaalsContact CD1-CG2 3.44Å; I18-T24 WeakPolarHBondContact O-CA 3.49Å; K19-T24 HydrophobicContact CG-CG2 4.06Å; T24-N36 HydrophobicContact CG2-CB 3.56Å |
| 25 | Y | 97.1 | Very high | 96.2 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 161.4 | -177.7 | -66.4 | -81.6 | 0 | 0 | 0 | 111.3 | L17 I18 Q23 S34 | L17-Y25 WeakPolarHBondContact CD1-O 3.5Å; I18-Y25 PolarHBondContact N-O 3.08Å; I18-Y25 PolarHBondContact O-N 2.89Å; Q23-Y25 HydrophobicContact CB-CD2 4.28Å; Q23-Y25 HydrophobicContact CB-CE2 3.54Å; Q23-Y25 PolarHBondContact OE1-OH 3.34Å; Y25-S34 WeakPolarHBondContact CA-O 3.21Å; Y25-S34 WeakPolarHBondContact CD1-O 3.14Å |
| 26 | S | 97.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.7 | 166.7 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | F16 E28 S34 | F16-S26 VanDerWaalsContact O-CA 3.31Å; F16-S26 WeakPolarHBondContact O-CA 3.45Å; S26-E28 WeakPolarHBondContact OG-CG 3.41Å; S26-E28 PolarHBondContact OG-N 3.26Å; S26-E28 PolarHBondContact OG-OE2 3.34Å; S26-S34 PolarHBondContact N-O 2.94Å; S26-S34 CarbonylContact O-C 3.56Å; S26-S34 WeakPolarHBondContact O-CA 3.42Å |
| 27 | T | 96.6 | Very high | 96.1 | Very high | 84 Ų | 84 | 67.3 Ų | 67.3 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | trans | -95.8 | 7.4 | 179.7 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | F16 I18 | F16-T27 WeakPolarHBondContact CA-OG1 3.4Å; F16-T27 PolarHBondContact O-N 3.38Å; F16-T27 PolarHBondContact O-OG1 3Å; I18-T27 HydrophobicContact CD1-CG2 3.4Å; I18-T27 HydrophobicContact CG1-CG2 4.19Å | ||
| 28 | E | 95.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 68.2 Ų | 68.2 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | trans | -62.2 | 148.4 | -178.5 | 72.8 | -155.2 | -176.7 | 0 | 0 | 112.6 | F16 S26 N31 N41 G42 L43 | F16-E28 HydrophobicContact CB-CB 3.91Å; F16-E28 HydrophobicContact CD1-CB 4.08Å; F16-E28 HydrophobicContact CD2-CB 3.77Å; F16-E28 HydrophobicContact CE2-CB 4.31Å; F16-E28 HydrophobicContact CG-CB 3.64Å; S26-E28 WeakPolarHBondContact OG-CG 3.41Å; S26-E28 PolarHBondContact OG-N 3.26Å; S26-E28 PolarHBondContact OG-OE2 3.34Å; E28-N31 HydrophobicContact CG-CB 3.74Å; E28-N31 PolarHBondContact OE1-ND2 3.41Å; E28-N41 VanDerWaalsContact CD-ND2 3.27Å; E28-N41 WeakPolarHBondContact OE1-CA 3.34Å; E28-N41 VanDerWaalsContact OE1-CG 3.31Å; E28-N41 PolarHBondContact OE1-ND2 3.05Å; E28-N41 PolarHBondContact OE2-ND2 2.88Å; E28-G42 PolarHBondContact OE1-N 3.22Å; E28-G42 VanDerWaalsContact OE1-N 3.15Å; E28-L43 HydrophobicContact CB-CD1 4.19Å; E28-L43 HydrophobicContact CB-CG 4.43Å | ||
| 29 | P | 93.2 | Very high | 96.1 | Very high | 61 Ų | 61 | 71 Ų | 71 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 152.3 | 172.6 | 27.5 | -34.3 | 0 | 0 | 0 | 110.7 | N31 | P29-N31 PolarHBondContact O-N 3.28Š|
| 30 | N | 95 | Very high | 96.1 | Very high | 18 Ų | 18 | 65.9 Ų | 65.9 | 10% | 0.096 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 18.4 | -179.6 | -52.9 | -42 | 0 | 0 | 0 | 115.7 | G50 Y77 | N30-G50 WeakPolarHBondContact OD1-CA 3.32Å; N30-Y77 VanDerWaalsContact ND2-CE1 3.34Å; N30-Y77 WeakPolarHBondContact ND2-CE1 3.28Å |
| 31 | N | 97 | Very high | 96.2 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | trans | -93 | 111.4 | 166.1 | -169.5 | -37.7 | 0 | 0 | 0 | 111.1 | E28 P29 K33 S34 R35 F40 R113 | E28-N31 HydrophobicContact CG-CB 3.74Å; E28-N31 PolarHBondContact OE1-ND2 3.41Å; P29-N31 PolarHBondContact O-N 3.28Å; N31-K33 PolarHBondContact O-N 2.98Å; N31-K33 PolarHBondContact OD1-N 3.39Å; N31-S34 WeakPolarHBondContact OD1-CA 3.35Å; N31-S34 PolarHBondContact OD1-N 2.89Å; N31-R35 PolarHBondContact ND2-O 3.15Å; N31-F40 WeakPolarHBondContact CA-O 3.49Å; N31-R113 PolarHBondContact O-NH1 3.29Å; N31-R113 VanDerWaalsContact O-NH1 3.09Å | ||
| 32 | L | 96.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -70.4 | -29.5 | -172.7 | -66 | 174.4 | 0 | 0 | 0 | 114 | V49 V51 L106 A109 A110 R113 | L32-V49 VanDerWaalsContact CD2-O 3.28Å; L32-V49 WeakPolarHBondContact CD2-O 3.42Å; L32-V49 WeakPolarHBondContact CG-O 3.5Å; L32-V51 HydrophobicContact CD2-CB 4.12Å; L32-V51 HydrophobicContact CD2-CG2 3.81Å; L32-L106 HydrophobicContact CD1-CB 3.82Å; L32-L106 HydrophobicContact CD1-CD1 3.86Å; L32-L106 HydrophobicContact CD1-CD2 4.21Å; L32-L106 HydrophobicContact CD1-CG 4.18Å; L32-A109 HydrophobicContact CB-CB 4.14Å; L32-A109 HydrophobicContact CD1-CB 4.02Å; L32-A110 HydrophobicContact CD1-CB 3.93Å; L32-A110 HydrophobicContact CD2-CB 4.37Å; L32-R113 WeakPolarHBondContact O-CD 3.28Å; L32-R113 PolarHBondContact O-NH1 3.32Å |
| 33 | K | 96.4 | Very high | 96.2 | Very high | 103 Ų | 103 | 49.8 Ų | 49.8 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -110.6 | -1.8 | -176.8 | -67.6 | -162.2 | 179.3 | -173.8 | 0 | 113.5 | N31 R35 F40 A109 | N31-K33 PolarHBondContact O-N 2.98Å; N31-K33 PolarHBondContact OD1-N 3.39Å; K33-R35 HydrophobicContact CB-CG 4.27Å; K33-R35 PolarHBondContact O-N 3.22Å; K33-R35 VanDerWaalsContact O-N 3.08Å; K33-F40 HydrophobicContact CB-CD2 4.43Å; K33-F40 HydrophobicContact CB-CG 4.36Å; K33-F40 HydrophobicContact CD-CD1 4.39Å; K33-F40 HydrophobicContact CD-CD2 4.32Å; K33-F40 HydrophobicContact CD-CE1 3.93Å; K33-F40 HydrophobicContact CD-CE2 3.85Å; K33-F40 HydrophobicContact CD-CZ 3.65Å; K33-F40 HydrophobicContact CG-CD1 4.21Å; K33-F40 HydrophobicContact CG-CE1 4.17Å; K33-F40 HydrophobicContact CG-CG 4.45Å; K33-F40 HydrophobicContact CG-CZ 4.35Å; K33-A109 HydrophobicContact CG-CB 4.35Å |
| 34 | S | 95.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 45.4 Ų | 45.4 | 32% | 0.315 | 23% | 0.225 | S | C | . | . | trans | 53.9 | 23.5 | -174.1 | -50.8 | 0 | 0 | 0 | 0 | 113.9 | Y25 S26 N31 | Y25-S34 WeakPolarHBondContact CA-O 3.21Å; Y25-S34 WeakPolarHBondContact CD1-O 3.14Å; S26-S34 PolarHBondContact N-O 2.94Å; S26-S34 CarbonylContact O-C 3.56Å; S26-S34 WeakPolarHBondContact O-CA 3.42Å; N31-S34 WeakPolarHBondContact OD1-CA 3.35Å; N31-S34 PolarHBondContact OD1-N 2.89Å | ||
| 35 | R | 96.1 | Very high | 96.1 | Very high | 141 Ų | 141 | 43.9 Ų | 43.9 | 53% | 0.532 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -98 | 141 | 179.2 | -70.7 | -179.5 | 66.4 | -172 | -2.5 | 109.3 | N31 K33 S37 | N31-R35 PolarHBondContact ND2-O 3.15Å; K33-R35 HydrophobicContact CB-CG 4.27Å; K33-R35 PolarHBondContact O-N 3.22Å; K33-R35 VanDerWaalsContact O-N 3.08Å; R35-S37 PolarHBondContact O-N 3.24Å |
| 36 | N | 96.8 | Very high | 96 | Very high | 38 Ų | 38 | 47.1 Ų | 47.1 | 20% | 0.203 | 23% | 0.229 | C | C | . | . | trans | -72.5 | 98.2 | 169.2 | -170.3 | 32.3 | 0 | 0 | 0 | 109.4 | W7 R11 L17 T24 | W7-N36 WeakPolarHBondContact CH2-OD1 3.33Å; R11-N36 PolarHBondContact O-ND2 3.01Å; L17-N36 HydrophobicContact CD1-CB 3.81Å; L17-N36 VanDerWaalsContact CD1-ND2 3.27Å; L17-N36 WeakPolarHBondContact CD1-ND2 3.12Å; T24-N36 HydrophobicContact CG2-CB 3.56Å | ||
| 37 | S | 96.4 | Very high | 95.9 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 26% | 0.259 | 25% | 0.249 | S | C | . | . | trans | -156.8 | 138.9 | -178.3 | 174.3 | 0 | 0 | 0 | 0 | 109.4 | R35 R39 F40 N41 | R35-S37 PolarHBondContact O-N 3.24Å; S37-R39 PolarHBondContact O-N 2.91Å; S37-F40 PolarHBondContact O-N 3.48Å; S37-F40 VanDerWaalsContact O-N 3.15Å; S37-N41 PolarHBondContact O-N 3.47Å; S37-N41 VanDerWaalsContact O-N 3.14Å | ||
| 38 | F | 97 | Very high | 95.9 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -50 | -46.7 | 177.8 | -179.2 | -116.6 | 0 | 0 | 0 | 112.2 | H4 W7 F40 N41 V44 H45 | H4-F38 AromaticContact CD2-CZ 3.87Å; H4-F38 AromaticContact CE1-CE1 3.58Å; H4-F38 AromaticContact CE1-CZ 3.62Å; H4-F38 AromaticContact ND1-CZ 3.89Å; H4-F38 AromaticContact NE2-CE1 3.72Å; H4-F38 AromaticContact NE2-CZ 3.57Å; W7-F38 HydrophobicContact CB-CD2 3.57Å; W7-F38 HydrophobicContact CB-CE2 3.84Å; W7-F38 AromaticContact CD1-CD2 3.86Å; W7-F38 HydrophobicContact CD2-CB 4.01Å; W7-F38 AromaticContact CD2-CD2 3.89Å; W7-F38 HydrophobicContact CD2-CD2 3.89Å; W7-F38 HydrophobicContact CD2-CG 4.45Å; W7-F38 HydrophobicContact CE3-CD2 4.46Å; W7-F38 HydrophobicContact CG-CB 4.22Å; W7-F38 AromaticContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CD2 3.45Å; W7-F38 VanDerWaalsContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CE2 4.2Å; W7-F38 HydrophobicContact CG-CG 4.23Å; W7-F38 HydrophobicContact CZ2-CB 4.27Å; F38-F40 VanDerWaalsContact C-N 3.35Å; F38-F40 PolarHBondContact O-N 3.25Å; F38-N41 PolarHBondContact O-N 3.44Å; F38-V44 HydrophobicContact CD2-CG2 4.24Å; F38-V44 HydrophobicContact CE2-CG2 4.1Å; F38-H45 AromaticContact CE1-CE1 3.69Å; F38-H45 AromaticContact CE2-CE1 3.78Å; F38-H45 AromaticContact CZ-CE1 3.47Å; F38-H45 VanDerWaalsContact CZ-CE1 3.47Å; F38-H45 WeakPolarHBondContact CZ-CE1 3.27Å; F38-H45 PolarHBondContact O-CD2 2.94Å; F38-H45 PolarHBondContact O-NE2 2.97Å |
| 39 | R | 96.8 | Very high | 96 | Very high | 120 Ų | 120 | 47.5 Ų | 47.5 | 45% | 0.453 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -61.9 | -39.7 | -176.1 | -178.2 | 173.6 | 175.9 | 179.9 | -6.1 | 113 | S37 R103 D105 | S37-R39 PolarHBondContact O-N 2.91Å; R39-R103 PolarHBondContact O-NH1 2.96Å; R39-R103 VanDerWaalsContact O-NH1 3.1Å; R39-R103 PolarHBondContact O-NH2 3.5Å; R39-D105 IonicContact CZ-OD2 3.82Å; R39-D105 IonicContact NE-OD2 3.01Å; R39-D105 PolarHBondContact NE-OD2 3.08Å; R39-D105 PolarHBondContact NH2-O 3.46Å; R39-D105 IonicContact NH2-OD2 3.9Å |
| 40 | F | 97.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 9% | 0.092 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -92.8 | -2.4 | -174.5 | -58.3 | -62.5 | 0 | 0 | 0 | 113.3 | N31 K33 S37 F38 G42 L106 A109 | N31-F40 WeakPolarHBondContact CA-O 3.49Å; K33-F40 HydrophobicContact CB-CD2 4.43Å; K33-F40 HydrophobicContact CB-CG 4.36Å; K33-F40 HydrophobicContact CD-CD1 4.39Å; K33-F40 HydrophobicContact CD-CD2 4.32Å; K33-F40 HydrophobicContact CD-CE1 3.93Å; K33-F40 HydrophobicContact CD-CE2 3.85Å; K33-F40 HydrophobicContact CD-CZ 3.65Å; K33-F40 HydrophobicContact CG-CD1 4.21Å; K33-F40 HydrophobicContact CG-CE1 4.17Å; K33-F40 HydrophobicContact CG-CG 4.45Å; K33-F40 HydrophobicContact CG-CZ 4.35Å; S37-F40 PolarHBondContact O-N 3.48Å; S37-F40 VanDerWaalsContact O-N 3.15Å; F38-F40 VanDerWaalsContact C-N 3.35Å; F38-F40 PolarHBondContact O-N 3.25Å; F40-G42 PolarHBondContact O-N 2.93Å; F40-L106 HydrophobicContact CD1-CD2 3.61Å; F40-L106 HydrophobicContact CE1-CD2 3.74Å; F40-A109 HydrophobicContact CE1-CB 4.37Å |
| 41 | N | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | trans | -67.1 | 132 | -174.6 | -171.4 | -77.2 | 0 | 0 | 0 | 112.4 | W7 E28 S37 F38 L43 V44 H45 | W7-N41 HydrophobicContact CZ3-CB 4.39Å; E28-N41 VanDerWaalsContact CD-ND2 3.27Å; E28-N41 WeakPolarHBondContact OE1-CA 3.34Å; E28-N41 VanDerWaalsContact OE1-CG 3.31Å; E28-N41 PolarHBondContact OE1-ND2 3.05Å; E28-N41 PolarHBondContact OE2-ND2 2.88Å; S37-N41 PolarHBondContact O-N 3.47Å; S37-N41 VanDerWaalsContact O-N 3.14Å; F38-N41 PolarHBondContact O-N 3.44Å; N41-L43 PolarHBondContact OD1-N 3.26Å; N41-V44 HydrophobicContact CB-CG2 3.91Å; N41-V44 PolarHBondContact OD1-N 2.67Å; N41-V44 VanDerWaalsContact OD1-N 3.07Å; N41-H45 PolarHBondContact O-CD2 3.39Å | ||
| 42 | G | 94.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -88.5 | -10 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E28 F40 T48 | E28-G42 PolarHBondContact OE1-N 3.22Å; E28-G42 VanDerWaalsContact OE1-N 3.15Å; F40-G42 PolarHBondContact O-N 2.93Å; G42-T48 WeakPolarHBondContact O-CG2 3.43Å |
| 43 | L | 94.1 | Very high | 96.3 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -104.8 | -43.9 | -169.7 | -58.2 | 176.6 | 0 | 0 | 0 | 111.9 | F16 E28 N41 | F16-L43 HydrophobicContact CD2-CD1 3.89Å; F16-L43 HydrophobicContact CE2-CD1 3.77Å; E28-L43 HydrophobicContact CB-CD1 4.19Å; E28-L43 HydrophobicContact CB-CG 4.43Å; N41-L43 PolarHBondContact OD1-N 3.26Å |
| 44 | V | 95.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -77.2 | -24.3 | -171.6 | -56.4 | 0 | 0 | 0 | 0 | 114.5 | S3 Q6 I10 F38 N41 | S3-V44 VanDerWaalsContact CB-O 3.28Å; S3-V44 WeakPolarHBondContact CB-O 3.2Å; Q6-V44 HydrophobicContact CB-CB 4.2Å; Q6-V44 HydrophobicContact CB-CG1 3.81Å; Q6-V44 PolarHBondContact OE1-O 2.81Å; I10-V44 HydrophobicContact CD1-CG1 3.42Å; I10-V44 VanDerWaalsContact CD1-CG1 3.42Å; I10-V44 HydrophobicContact CG1-CG1 4.2Å; F38-V44 HydrophobicContact CD2-CG2 4.24Å; F38-V44 HydrophobicContact CE2-CG2 4.1Å; N41-V44 HydrophobicContact CB-CG2 3.91Å; N41-V44 PolarHBondContact OD1-N 2.67Å; N41-V44 VanDerWaalsContact OD1-N 3.07Å |
| 45 | H | 95.9 | Very high | 95.9 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | trans | -86.9 | 145 | -174.8 | -70.6 | -68.2 | 0 | 0 | 0 | 112.2 | F38 N41 K47 T48 K65 | F38-H45 AromaticContact CE1-CE1 3.69Å; F38-H45 AromaticContact CE2-CE1 3.78Å; F38-H45 AromaticContact CZ-CE1 3.47Å; F38-H45 VanDerWaalsContact CZ-CE1 3.47Å; F38-H45 WeakPolarHBondContact CZ-CE1 3.27Å; F38-H45 PolarHBondContact O-CD2 2.94Å; F38-H45 PolarHBondContact O-NE2 2.97Å; N41-H45 PolarHBondContact O-CD2 3.39Å; H45-K47 VanDerWaalsContact C-N 3.32Å; H45-K47 WeakPolarHBondContact CB-O 3.42Å; H45-T48 HydrophobicContact CB-CG2 3.89Å; H45-K65 PolarHBondContact O-NZ 3.48Å; H45-K65 VanDerWaalsContact O-NZ 3.1Å | ||
| 46 | K | 94.7 | Very high | 95.5 | Very high | 151 Ų | 151 | 48.1 Ų | 48.1 | 66% | 0.657 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -67.7 | -33 | 172.8 | -65.8 | -178.5 | 180 | 177.7 | 0 | 112.3 | Q70 | K46-Q70 PolarHBondContact O-NE2 2.92Š|
| 47 | K | 96.1 | Very high | 95 | Very high | 101 Ų | 101 | 48.3 Ų | 48.3 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -115.1 | 125.5 | 176.2 | -67.4 | -176.6 | -179.4 | 178.6 | 0 | 109.5 | H45 Y102 R103 | H45-K47 VanDerWaalsContact C-N 3.32Å; H45-K47 WeakPolarHBondContact CB-O 3.42Å; K47-Y102 VanDerWaalsContact CA-OH 3.31Å; K47-Y102 WeakPolarHBondContact CA-OH 3.38Å; K47-Y102 HydrophobicContact CB-CE1 3.9Å; K47-Y102 HydrophobicContact CB-CE2 4.05Å; K47-Y102 HydrophobicContact CD-CD2 4Å; K47-Y102 HydrophobicContact CD-CE2 3.88Å; K47-Y102 HydrophobicContact CG-CD2 4.39Å; K47-Y102 HydrophobicContact CG-CE2 3.75Å; K47-R103 HydrophobicContact CB-CG 3.95Å; K47-R103 WeakPolarHBondContact O-CD 3.08Å |
| 48 | T | 96.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | trans | -138 | 148.1 | 178.8 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | G42 H45 K65 Y102 | G42-T48 WeakPolarHBondContact O-CG2 3.43Å; H45-T48 HydrophobicContact CB-CG2 3.89Å; T48-K65 HydrophobicContact CG2-CD 4.38Å; T48-K65 PolarHBondContact O-N 3Å; T48-K65 WeakPolarHBondContact OG1-CB 3.43Å; T48-Y102 PolarHBondContact N-OH 3.02Å; T48-Y102 WeakPolarHBondContact O-CE1 3.48Å; T48-Y102 PolarHBondContact O-OH 2.83Å | ||
| 49 | V | 97.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 111.5 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | L32 V63 L64 I97 Y102 R103 L106 A110 | L32-V49 VanDerWaalsContact CD2-O 3.28Å; L32-V49 WeakPolarHBondContact CD2-O 3.42Å; L32-V49 WeakPolarHBondContact CG-O 3.5Å; V49-V63 CarbonylContact C-O 3.6Å; V49-V63 WeakPolarHBondContact CA-O 3.28Å; V49-L64 HydrophobicContact CB-CD2 4.39Å; V49-L64 HydrophobicContact CG1-CD2 4.27Å; V49-L64 HydrophobicContact CG2-CD2 3.91Å; V49-I97 HydrophobicContact CG1-CD1 4.12Å; V49-Y102 HydrophobicContact CG2-CD1 3.69Å; V49-Y102 HydrophobicContact CG2-CE1 3.74Å; V49-R103 HydrophobicContact CG2-CB 4.41Å; V49-L106 HydrophobicContact CB-CD1 4.3Å; V49-A110 HydrophobicContact CG1-CB 4.21Å |
| 50 | G | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 148.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | N30 V62 V63 | N30-G50 WeakPolarHBondContact OD1-CA 3.32Å; G50-V62 WeakPolarHBondContact O-CA 3.46Å; G50-V63 PolarHBondContact N-O 3.03Å; G50-V63 PolarHBondContact O-N 2.98Å |
| 51 | V | 97.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 117.5 | 172 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | L32 V60 V61 L93 A110 R113 A114 I117 | L32-V51 HydrophobicContact CD2-CB 4.12Å; L32-V51 HydrophobicContact CD2-CG2 3.81Å; V51-V60 HydrophobicContact CG1-CG1 3.26Å; V51-V61 WeakPolarHBondContact CA-O 3.45Å; V51-L93 HydrophobicContact CG2-CD2 4.13Å; V51-A110 HydrophobicContact CG2-CB 4Å; V51-R113 HydrophobicContact CB-CB 4.43Å; V51-R113 HydrophobicContact CB-CG 4.19Å; V51-R113 HydrophobicContact CG1-CG 4.42Å; V51-R113 WeakPolarHBondContact O-CD 3.41Å; V51-R113 PolarHBondContact O-NE 3.15Å; V51-A114 HydrophobicContact CG1-CB 3.9Å; V51-I117 HydrophobicContact CG1-CD1 3.88Å |
| 52 | Q | 96 | Very high | 94.6 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153.9 | -173.5 | -69.6 | 177 | -12.9 | 0 | 0 | 110.1 | V61 | Q52-V61 PolarHBondContact N-O 2.97Å; Q52-V61 PolarHBondContact O-N 3.2Å |
| 53 | P | 95.7 | Very high | 94.7 | Very high | 80 Ų | 80 | 45.4 Ų | 45.4 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 146.1 | 167.2 | 28.6 | -34 | 0 | 0 | 0 | 110.2 | I117 | P53-I117 HydrophobicContact CB-CG2 4.01Å |
| 54 | A | 94.7 | Very high | 94.9 | Very high | 6 Ų | 6 | 44 Ų | 44 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | trans | -68.7 | 150.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D56 G57 K58 G59 V61 T81 | A54-D56 PolarHBondContact O-N 3.08Å; A54-G57 PolarHBondContact O-N 2.93Å; A54-K58 VanDerWaalsContact CB-O 3.31Å; A54-K58 WeakPolarHBondContact CB-O 3.29Å; A54-G59 PolarHBondContact N-O 3.35Å; A54-V61 HydrophobicContact CB-CG2 4.03Å; A54-T81 HydrophobicContact CB-CG2 4.38Å | ||
| 55 | A | 90.4 | Very high | 94.9 | Very high | 108 Ų | 108 | 44.6 Ų | 44.6 | 89% | 0.893 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -36.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | G57 | A55-G57 PolarHBondContact O-N 3.2Š|
| 56 | D | 87.2 | Confident | 94.8 | Very high | 132 Ų | 132 | 49.1 Ų | 49.1 | 71% | 0.706 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 6.9 | -178.2 | -44 | -40.9 | 0 | 0 | 0 | 113.5 | A54 K58 | A54-D56 PolarHBondContact O-N 3.08Å; D56-K58 PolarHBondContact O-N 3.15Å |
| 57 | G | 85.4 | Confident | 94.8 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 70.4 | -3.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A54 A55 Q121 | A54-G57 PolarHBondContact O-N 2.93Å; A55-G57 PolarHBondContact O-N 3.2Å; G57-Q121 WeakPolarHBondContact O-CG 3.36Å; G57-Q121 PolarHBondContact O-NE2 3.05Å |
| 58 | K | 90.7 | Very high | 94.7 | Very high | 143 Ų | 143 | 52.2 Ų | 52.2 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -119.1 | 119.7 | -177.7 | -64.8 | 177.1 | -174.9 | 173 | 0 | 111.3 | A54 D56 | A54-K58 VanDerWaalsContact CB-O 3.31Å; A54-K58 WeakPolarHBondContact CB-O 3.29Å; D56-K58 PolarHBondContact O-N 3.15Å |
| 59 | G | 93.7 | Very high | 94.4 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 86.9 | -171.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A54 I82 Q121 | A54-G59 PolarHBondContact N-O 3.35Å; G59-I82 WeakPolarHBondContact CA-O 3.21Å; G59-Q121 PolarHBondContact O-NE2 2.8Å; G59-Q121 PolarHBondContact O-OE1 2.85Å |
| 60 | V | 97.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.7 | -166.7 | -180 | 0 | 0 | 0 | 0 | 110.1 | V51 I82 T89 A114 I117 L118 | V51-V60 HydrophobicContact CG1-CG1 3.26Å; V60-I82 PolarHBondContact N-O 3.14Å; V60-I82 PolarHBondContact O-N 2.86Å; V60-T89 HydrophobicContact CB-CG2 4.38Å; V60-T89 HydrophobicContact CG2-CG2 4.31Å; V60-A114 HydrophobicContact CG1-CB 4.42Å; V60-I117 HydrophobicContact CG2-CB 4.36Å; V60-I117 HydrophobicContact CG2-CG2 3.94Å; V60-L118 HydrophobicContact CG2-CD2 3.97Å; V60-L118 HydrophobicContact CG2-CG 3.96Å |
| 61 | V | 97.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 63.1 Ų | 63.1 | 9% | 0.085 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.5 | 172.1 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | V51 Q52 A54 V63 K79 T81 | V51-V61 WeakPolarHBondContact CA-O 3.45Å; Q52-V61 PolarHBondContact N-O 2.97Å; Q52-V61 PolarHBondContact O-N 3.2Å; A54-V61 HydrophobicContact CB-CG2 4.03Å; V61-V63 HydrophobicContact CG1-CG2 4.19Å; V61-K79 HydrophobicContact CG1-CB 3.89Å; V61-K79 HydrophobicContact CG1-CD 4.43Å; V61-K79 HydrophobicContact CG1-CG 4.31Å; V61-T81 HydrophobicContact CG2-CG2 4.22Å |
| 62 | V | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.5 | 172.6 | -173.8 | 0 | 0 | 0 | 0 | 108 | G50 L64 K79 V80 I82 L93 | G50-V62 WeakPolarHBondContact O-CA 3.46Å; V62-L64 HydrophobicContact CG1-CD2 4.17Å; V62-L64 HydrophobicContact CG1-CG 4.26Å; V62-K79 CarbonylContact O-C 3.55Å; V62-K79 WeakPolarHBondContact O-CA 3.47Å; V62-V80 PolarHBondContact N-O 3.42Å; V62-V80 PolarHBondContact O-N 3.02Å; V62-I82 HydrophobicContact CG2-CD1 3.84Å; V62-L93 HydrophobicContact CG1-CD1 3.86Å; V62-L93 HydrophobicContact CG2-CD1 3.82Å |
| 63 | V | 97.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.024 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.3 | 179.4 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | V49 G50 V61 Y77 V78 K79 | V49-V63 CarbonylContact C-O 3.6Å; V49-V63 WeakPolarHBondContact CA-O 3.28Å; G50-V63 PolarHBondContact N-O 3.03Å; G50-V63 PolarHBondContact O-N 2.98Å; V61-V63 HydrophobicContact CG1-CG2 4.19Å; V63-Y77 HydrophobicContact CG1-CD1 3.9Å; V63-Y77 HydrophobicContact CG1-CG 4.23Å; V63-V78 CarbonylContact C-O 3.59Å; V63-V78 WeakPolarHBondContact CA-O 3.32Å; V63-K79 HydrophobicContact CG2-CG 4.27Å |
| 64 | L | 97.1 | Very high | 93.7 | Very high | 29 Ų | 29 | 71.3 Ų | 71.3 | 15% | 0.152 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142 | 179.2 | -60.4 | 175 | 0 | 0 | 0 | 109.9 | V49 V62 Y77 V78 I96 Y102 | V49-L64 HydrophobicContact CB-CD2 4.39Å; V49-L64 HydrophobicContact CG1-CD2 4.27Å; V49-L64 HydrophobicContact CG2-CD2 3.91Å; V62-L64 HydrophobicContact CG1-CD2 4.17Å; V62-L64 HydrophobicContact CG1-CG 4.26Å; L64-Y77 CarbonylContact O-C 3.56Å; L64-Y77 WeakPolarHBondContact O-CA 3.45Å; L64-V78 PolarHBondContact N-O 3.09Å; L64-V78 PolarHBondContact O-N 2.73Å; L64-I96 HydrophobicContact CD1-CG2 3.78Å; L64-Y102 HydrophobicContact CD2-CD1 4.18Å; L64-Y102 HydrophobicContact CD2-CE1 3.97Å |
| 65 | K | 96.1 | Very high | 93.7 | Very high | 20 Ų | 20 | 74.4 Ų | 74.4 | 9% | 0.087 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129 | 175 | -155.7 | 171.7 | -176.8 | -175.6 | 0 | 110.8 | H45 T48 S76 Y77 Y102 | H45-K65 PolarHBondContact O-NZ 3.48Å; H45-K65 VanDerWaalsContact O-NZ 3.1Å; T48-K65 HydrophobicContact CG2-CD 4.38Å; T48-K65 PolarHBondContact O-N 3Å; T48-K65 WeakPolarHBondContact OG1-CB 3.43Å; K65-S76 CarbonylContact C-O 3.6Å; K65-S76 WeakPolarHBondContact CA-O 3.48Å; K65-S76 WeakPolarHBondContact CG-O 3.44Å; K65-Y77 HydrophobicContact CB-CD1 4.18Å; K65-Y77 HydrophobicContact CB-CE1 4.07Å; K65-Y77 HydrophobicContact CD-CE1 4.03Å; K65-Y77 HydrophobicContact CG-CD1 4.15Å; K65-Y77 HydrophobicContact CG-CE1 3.83Å; K65-Y102 PolarHBondContact N-OH 3.44Å; K65-Y102 PolarHBondContact O-OH 2.72Å |
| 66 | R | 95 | Very high | 93.9 | Very high | 124 Ų | 124 | 69.4 Ų | 69.4 | 47% | 0.468 | 37% | 0.374 | S | S | . | . | trans | -67.3 | 147.9 | 175.3 | -66.4 | -168.6 | 172.8 | 157.7 | -9.3 | 110.2 | Q70 T75 S76 V78 | R66-Q70 PolarHBondContact O-NE2 2.93Å; R66-T75 WeakPolarHBondContact CD-O 2.86Å; R66-T75 PolarHBondContact NH1-O 3.48Å; R66-T75 VanDerWaalsContact NH1-O 3.14Å; R66-S76 PolarHBondContact N-O 2.72Å; R66-V78 HydrophobicContact CG-CG2 3.57Å | ||
| 67 | R | 93.8 | Very high | 94.4 | Very high | 240 Ų | 240 | 66.5 Ų | 66.5 | 91% | 0.906 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -66.5 | -44.4 | 174.9 | -177.5 | -178.7 | 176.9 | -178 | -1.1 | 111.6 | ||
| 68 | A | 93.2 | Very high | 94.9 | Very high | 76 Ų | 76 | 66.9 Ų | 66.9 | 63% | 0.628 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -83.2 | 159.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q70 | A68-Q70 PolarHBondContact O-N 3.1Š|
| 69 | G | 92.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 67.2 Ų | 67.2 | 23% | 0.227 | 35% | 0.349 | C | S | . | . | trans | 70 | 30.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H71 K72 | G69-H71 PolarHBondContact O-N 2.85Å; G69-K72 PolarHBondContact O-N 3.24Å | ||
| 70 | Q | 91.2 | Very high | 95.3 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29.6 | 179.8 | -70.4 | -74.5 | -46.4 | 0 | 0 | 113.4 | K46 R66 A68 K72 | K46-Q70 PolarHBondContact O-NE2 2.92Å; R66-Q70 PolarHBondContact O-NE2 2.93Å; A68-Q70 PolarHBondContact O-N 3.1Å; Q70-K72 VanDerWaalsContact C-N 3.32Å |
| 71 | H | 92.9 | Very high | 95.2 | Very high | 147 Ų | 147 | 73.7 Ų | 73.7 | 68% | 0.681 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 4.8 | 176.6 | 67.4 | 90.3 | 0 | 0 | 0 | 113 | G69 P73 | G69-H71 PolarHBondContact O-N 2.85Å; H71-P73 WeakPolarHBondContact O-CD 3.41Å |
| 72 | K | 95.6 | Very high | 95.2 | Very high | 116 Ų | 116 | 73.6 Ų | 73.6 | 50% | 0.504 | 39% | 0.386 | S | S | . | . | trans | -116 | 82.6 | 179.9 | -59.1 | -170.6 | -179.9 | -173.4 | 0 | 109.2 | G69 Q70 A74 T75 S76 | G69-K72 PolarHBondContact O-N 3.24Å; Q70-K72 VanDerWaalsContact C-N 3.32Å; K72-A74 PolarHBondContact O-N 3.06Å; K72-A74 VanDerWaalsContact O-N 3.14Å; K72-T75 PolarHBondContact O-N 3.03Å; K72-T75 VanDerWaalsContact O-N 3.11Å; K72-S76 VanDerWaalsContact O-CB 3.3Å; K72-S76 WeakPolarHBondContact O-CB 3.24Å; K72-S76 PolarHBondContact O-N 2.92Å | ||
| 73 | P | 93 | Very high | 95 | Very high | 101 Ų | 101 | 78.6 Ų | 78.6 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -52.9 | -41 | -172.4 | -28 | 35.2 | 0 | 0 | 0 | 113.5 | H71 T75 S76 | H71-P73 WeakPolarHBondContact O-CD 3.41Å; P73-T75 VanDerWaalsContact C-N 3.29Å; P73-T75 PolarHBondContact O-N 2.9Å; P73-S76 PolarHBondContact O-N 3.34Å; P73-S76 PolarHBondContact O-OG 2.76Å |
| 74 | A | 95.4 | Very high | 94.9 | Very high | 103 Ų | 103 | 84.5 Ų | 84.5 | 85% | 0.851 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -57 | -36.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | K72 | K72-A74 PolarHBondContact O-N 3.06Å; K72-A74 VanDerWaalsContact O-N 3.14Å |
| 75 | T | 95.3 | Very high | 94.8 | Very high | 71 Ų | 71 | 88.5 Ų | 88.5 | 44% | 0.436 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -112.7 | -0.7 | -175.1 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | R66 K72 P73 Y77 | R66-T75 WeakPolarHBondContact CD-O 2.86Å; R66-T75 PolarHBondContact NH1-O 3.48Å; R66-T75 VanDerWaalsContact NH1-O 3.14Å; K72-T75 PolarHBondContact O-N 3.03Å; K72-T75 VanDerWaalsContact O-N 3.11Å; P73-T75 VanDerWaalsContact C-N 3.29Å; P73-T75 PolarHBondContact O-N 2.9Å; T75-Y77 VanDerWaalsContact C-N 3.27Å; T75-Y77 PolarHBondContact O-N 3.36Å |
| 76 | S | 95.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 90 Ų | 90 | 2% | 0.021 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -71.7 | -15.4 | -175 | 66.9 | 0 | 0 | 0 | 0 | 114.5 | K65 R66 K72 P73 | K65-S76 CarbonylContact C-O 3.6Å; K65-S76 WeakPolarHBondContact CA-O 3.48Å; K65-S76 WeakPolarHBondContact CG-O 3.44Å; R66-S76 PolarHBondContact N-O 2.72Å; K72-S76 VanDerWaalsContact O-CB 3.3Å; K72-S76 WeakPolarHBondContact O-CB 3.24Å; K72-S76 PolarHBondContact O-N 2.92Å; P73-S76 PolarHBondContact O-N 3.34Å; P73-S76 PolarHBondContact O-OG 2.76Å |
| 77 | Y | 96.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 93.6 Ų | 93.6 | 28% | 0.275 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 144.1 | -177.9 | -62.6 | -74.8 | 0 | 0 | 0 | 112.3 | N30 V63 L64 K65 T75 | N30-Y77 VanDerWaalsContact ND2-CE1 3.34Å; N30-Y77 WeakPolarHBondContact ND2-CE1 3.28Å; V63-Y77 HydrophobicContact CG1-CD1 3.9Å; V63-Y77 HydrophobicContact CG1-CG 4.23Å; L64-Y77 CarbonylContact O-C 3.56Å; L64-Y77 WeakPolarHBondContact O-CA 3.45Å; K65-Y77 HydrophobicContact CB-CD1 4.18Å; K65-Y77 HydrophobicContact CB-CE1 4.07Å; K65-Y77 HydrophobicContact CD-CE1 4.03Å; K65-Y77 HydrophobicContact CG-CD1 4.15Å; K65-Y77 HydrophobicContact CG-CE1 3.83Å; T75-Y77 VanDerWaalsContact C-N 3.27Å; T75-Y77 PolarHBondContact O-N 3.36Å |
| 78 | V | 96.1 | Very high | 94.9 | Very high | 51 Ų | 51 | 83.5 Ų | 83.5 | 31% | 0.309 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.9 | 168.6 | 178 | 0 | 0 | 0 | 0 | 108.1 | V63 L64 R66 V80 | V63-V78 CarbonylContact C-O 3.59Å; V63-V78 WeakPolarHBondContact CA-O 3.32Å; L64-V78 PolarHBondContact N-O 3.09Å; L64-V78 PolarHBondContact O-N 2.73Å; R66-V78 HydrophobicContact CG-CG2 3.57Å; V78-V80 HydrophobicContact CG1-CG2 4.31Å |
| 79 | K | 96.5 | Very high | 95.1 | Very high | 149 Ų | 149 | 80 Ų | 80 | 65% | 0.648 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132 | 175.8 | -60.7 | -176.4 | -178 | 174.9 | 0 | 108.8 | V61 V62 V63 | V61-K79 HydrophobicContact CG1-CB 3.89Å; V61-K79 HydrophobicContact CG1-CD 4.43Å; V61-K79 HydrophobicContact CG1-CG 4.31Å; V62-K79 CarbonylContact O-C 3.55Å; V62-K79 WeakPolarHBondContact O-CA 3.47Å; V63-K79 HydrophobicContact CG2-CG 4.27Å |
| 80 | V | 96.2 | Very high | 95.4 | Very high | 56 Ų | 56 | 80.6 Ų | 80.6 | 34% | 0.339 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 112.5 | 174.5 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | V62 V78 I82 | V62-V80 PolarHBondContact N-O 3.42Å; V62-V80 PolarHBondContact O-N 3.02Å; V78-V80 HydrophobicContact CG1-CG2 4.31Å; V80-I82 HydrophobicContact CG1-CG1 4.37Å |
| 81 | T | 96.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 80.4 Ų | 80.4 | 53% | 0.534 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.4 | 177 | -53.4 | 0 | 0 | 0 | 0 | 109.6 | A54 V61 | A54-T81 HydrophobicContact CB-CG2 4.38Å; V61-T81 HydrophobicContact CG2-CG2 4.22Å |
| 82 | I | 96.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.056 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 104.6 | 176.6 | -52.2 | 176.4 | 0 | 0 | 0 | 108 | G59 V60 V62 V80 K84 T89 I96 | G59-I82 WeakPolarHBondContact CA-O 3.21Å; V60-I82 PolarHBondContact N-O 3.14Å; V60-I82 PolarHBondContact O-N 2.86Å; V62-I82 HydrophobicContact CG2-CD1 3.84Å; V80-I82 HydrophobicContact CG1-CG1 4.37Å; I82-K84 HydrophobicContact CG2-CB 4.32Å; I82-K84 HydrophobicContact CG2-CD 4.3Å; I82-K84 HydrophobicContact CG2-CG 4.12Å; I82-T89 HydrophobicContact CB-CG2 4.3Å; I82-T89 HydrophobicContact CG2-CG2 3.89Å; I82-I96 HydrophobicContact CD1-CD1 4.1Å |
| 83 | N | 94.8 | Very high | 96 | Very high | 107 Ų | 107 | 69.6 Ų | 69.6 | 57% | 0.572 | 38% | 0.379 | S | S | * | . | trans | -111.6 | 78.9 | 173.5 | -169.2 | 6.7 | 0 | 0 | 0 | 109.2 | ||||
| 84 | K | 94.3 | Very high | 96.3 | Very high | 128 Ų | 128 | 68.6 Ų | 68.6 | 56% | 0.557 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -133.4 | 173.2 | 178.9 | -60.2 | -175.8 | 179.4 | -174.5 | 0 | 109.7 | I82 A88 T89 | I82-K84 HydrophobicContact CG2-CB 4.32Å; I82-K84 HydrophobicContact CG2-CD 4.3Å; I82-K84 HydrophobicContact CG2-CG 4.12Å; K84-A88 HydrophobicContact CB-CB 4.01Å; K84-A88 HydrophobicContact CD-CB 4.27Å; K84-T89 PolarHBondContact O-OG1 3.19Å |
| 85 | N | 94.3 | Very high | 96.4 | Very high | 112 Ų | 112 | 68.3 Ų | 68.3 | 60% | 0.599 | 34% | 0.343 | S | S | * | . | trans | -56.8 | 158.6 | 171.6 | 72.3 | 44.1 | 0 | 0 | 0 | 112 | R87 A88 T89 | N85-R87 VanDerWaalsContact C-N 3.32Å; N85-R87 PolarHBondContact O-N 3.24Å; N85-R87 PolarHBondContact OD1-N 3.18Å; N85-A88 PolarHBondContact O-N 3.46Å; N85-A88 WeakPolarHBondContact OD1-CB 3.13Å; N85-A88 PolarHBondContact OD1-N 3.5Å; N85-T89 WeakPolarHBondContact O-CB 3.27Å; N85-T89 PolarHBondContact O-N 2.98Å; N85-T89 PolarHBondContact O-OG1 3.49Å; N85-T89 VanDerWaalsContact O-OG1 3.05Å | ||
| 86 | S | 94.4 | Very high | 96.4 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | -170.3 | -50.4 | 0 | 0 | 0 | 0 | 113.5 | L90 | S86-L90 WeakPolarHBondContact O-CB 3.13Å; S86-L90 VanDerWaalsContact O-CG 3.28Å; S86-L90 WeakPolarHBondContact O-CG 3.31Å; S86-L90 PolarHBondContact O-N 3.49Å; S86-L90 VanDerWaalsContact O-N 3.08Å |
| 87 | R | 97.1 | Very high | 96.5 | Very high | 201 Ų | 201 | 66.4 Ų | 66.4 | 76% | 0.758 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67 | -46.8 | -179.7 | -175.7 | 179.3 | -71.5 | -135.9 | 0.9 | 111.1 | N85 L90 N91 | N85-R87 VanDerWaalsContact C-N 3.32Å; N85-R87 PolarHBondContact O-N 3.24Å; N85-R87 PolarHBondContact OD1-N 3.18Å; R87-L90 PolarHBondContact O-N 3.03Å; R87-N91 WeakPolarHBondContact O-CB 3.49Å; R87-N91 VanDerWaalsContact O-CG 3.25Å; R87-N91 PolarHBondContact O-N 2.98Å |
| 88 | A | 97.4 | Very high | 96.5 | Very high | 27 Ų | 27 | 70.7 Ų | 70.7 | 22% | 0.223 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K84 N85 L90 N91 S92 | K84-A88 HydrophobicContact CB-CB 4.01Å; K84-A88 HydrophobicContact CD-CB 4.27Å; N85-A88 PolarHBondContact O-N 3.46Å; N85-A88 WeakPolarHBondContact OD1-CB 3.13Å; N85-A88 PolarHBondContact OD1-N 3.5Å; A88-L90 PolarHBondContact O-N 3.4Å; A88-N91 PolarHBondContact O-N 2.72Å; A88-S92 WeakPolarHBondContact O-CB 3.4Å; A88-S92 PolarHBondContact O-N 2.84Å; A88-S92 PolarHBondContact O-OG 3.37Å |
| 89 | T | 97.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 178.1 | -64 | 0 | 0 | 0 | 0 | 111.9 | V60 I82 K84 N85 N91 S92 L93 L118 | V60-T89 HydrophobicContact CB-CG2 4.38Å; V60-T89 HydrophobicContact CG2-CG2 4.31Å; I82-T89 HydrophobicContact CB-CG2 4.3Å; I82-T89 HydrophobicContact CG2-CG2 3.89Å; K84-T89 PolarHBondContact O-OG1 3.19Å; N85-T89 WeakPolarHBondContact O-CB 3.27Å; N85-T89 PolarHBondContact O-N 2.98Å; N85-T89 PolarHBondContact O-OG1 3.49Å; N85-T89 VanDerWaalsContact O-OG1 3.05Å; T89-N91 PolarHBondContact O-N 3.46Å; T89-S92 PolarHBondContact O-N 3.35Å; T89-L93 PolarHBondContact O-N 3.28Å; T89-L118 HydrophobicContact CG2-CD1 4.1Å |
| 90 | L | 97.8 | Very high | 96.4 | Very high | 36 Ų | 36 | 73.3 Ų | 73.3 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 176.8 | -67.9 | 176.4 | 0 | 0 | 0 | 112.2 | S86 R87 A88 R94 L111 A114 | S86-L90 WeakPolarHBondContact O-CB 3.13Å; S86-L90 VanDerWaalsContact O-CG 3.28Å; S86-L90 WeakPolarHBondContact O-CG 3.31Å; S86-L90 PolarHBondContact O-N 3.49Å; S86-L90 VanDerWaalsContact O-N 3.08Å; R87-L90 PolarHBondContact O-N 3.03Å; A88-L90 PolarHBondContact O-N 3.4Å; L90-R94 WeakPolarHBondContact O-CB 3.4Å; L90-R94 PolarHBondContact O-N 3.5Å; L90-L111 HydrophobicContact CB-CD2 4.11Å; L90-L111 HydrophobicContact CD2-CB 4.48Å; L90-L111 HydrophobicContact CD2-CD2 3.98Å; L90-L111 WeakPolarHBondContact CD2-O 3.28Å; L90-L111 WeakPolarHBondContact O-CD2 3.34Å; L90-A114 HydrophobicContact CD2-CB 3.84Å |
| 91 | N | 97.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 75.4 Ų | 75.4 | 32% | 0.316 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.6 | -76.6 | -6.4 | 0 | 0 | 0 | 111.3 | R87 A88 T89 L93 R94 H95 | R87-N91 WeakPolarHBondContact O-CB 3.49Å; R87-N91 VanDerWaalsContact O-CG 3.25Å; R87-N91 PolarHBondContact O-N 2.98Å; A88-N91 PolarHBondContact O-N 2.72Å; T89-N91 PolarHBondContact O-N 3.46Å; N91-L93 PolarHBondContact O-N 2.89Å; N91-R94 WeakPolarHBondContact O-CB 3.34Å; N91-R94 PolarHBondContact O-N 3.12Å; N91-R94 PolarHBondContact OD1-NH1 2.74Å; N91-H95 PolarHBondContact O-N 2.81Å; N91-H95 PolarHBondContact O-ND1 2.99Å |
| 92 | S | 97.5 | Very high | 96.3 | Very high | 34 Ų | 34 | 72.7 Ų | 72.7 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 177.1 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | A88 T89 R94 H95 I96 | A88-S92 WeakPolarHBondContact O-CB 3.4Å; A88-S92 PolarHBondContact O-N 2.84Å; A88-S92 PolarHBondContact O-OG 3.37Å; T89-S92 PolarHBondContact O-N 3.35Å; S92-R94 VanDerWaalsContact C-N 3.31Å; S92-R94 PolarHBondContact O-N 2.97Å; S92-H95 PolarHBondContact O-N 3.17Å; S92-H95 VanDerWaalsContact O-N 3.12Å; S92-I96 VanDerWaalsContact O-CG1 3.32Å; S92-I96 WeakPolarHBondContact O-CG1 3.33Å; S92-I96 PolarHBondContact O-N 3.48Å |
| 93 | L | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 175.6 | 178.1 | 56.9 | 0 | 0 | 0 | 112.4 | V51 V62 T89 N91 H95 I97 A110 L111 A114 | V51-L93 HydrophobicContact CG2-CD2 4.13Å; V62-L93 HydrophobicContact CG1-CD1 3.86Å; V62-L93 HydrophobicContact CG2-CD1 3.82Å; T89-L93 PolarHBondContact O-N 3.28Å; N91-L93 PolarHBondContact O-N 2.89Å; L93-H95 VanDerWaalsContact C-N 3.33Å; L93-H95 PolarHBondContact O-N 2.95Å; L93-I97 HydrophobicContact CD1-CD1 3.95Å; L93-I97 HydrophobicContact CD1-CG1 4.41Å; L93-I97 HydrophobicContact CG-CD1 4.35Å; L93-I97 PolarHBondContact O-N 2.92Å; L93-A110 HydrophobicContact CD1-CB 4.49Å; L93-A110 HydrophobicContact CD2-CB 4.09Å; L93-A110 HydrophobicContact CG-CB 4.48Å; L93-L111 HydrophobicContact CB-CD2 4.28Å; L93-L111 HydrophobicContact CD2-CD2 4.24Å; L93-L111 HydrophobicContact CG-CD2 4.25Å; L93-A114 HydrophobicContact CD2-CB 3.7Å |
| 94 | R | 97.8 | Very high | 96.4 | Very high | 80 Ų | 80 | 74.2 Ų | 74.2 | 30% | 0.302 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.4 | -167.9 | -173.1 | -59.6 | 113.2 | 3.3 | 111.5 | L90 N91 S92 I97 R98 R107 L111 | L90-R94 WeakPolarHBondContact O-CB 3.4Å; L90-R94 PolarHBondContact O-N 3.5Å; N91-R94 WeakPolarHBondContact O-CB 3.34Å; N91-R94 PolarHBondContact O-N 3.12Å; N91-R94 PolarHBondContact OD1-NH1 2.74Å; S92-R94 VanDerWaalsContact C-N 3.31Å; S92-R94 PolarHBondContact O-N 2.97Å; R94-I97 PolarHBondContact O-N 3.42Å; R94-R98 VanDerWaalsContact O-CB 3.24Å; R94-R98 WeakPolarHBondContact O-CB 3.48Å; R94-R98 PolarHBondContact O-N 3.17Å; R94-R107 HydrophobicContact CG-CG 4.42Å; R94-L111 HydrophobicContact CB-CD1 4.45Å; R94-L111 HydrophobicContact CB-CD2 4.24Å; R94-L111 HydrophobicContact CG-CD1 4.42Å |
| 95 | H | 97.6 | Very high | 96.5 | Very high | 97 Ų | 97 | 71.2 Ų | 71.2 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.9 | -46.1 | -180 | -73.1 | 97.3 | 0 | 0 | 0 | 111.6 | N91 S92 L93 I97 R98 K99 | N91-H95 PolarHBondContact O-N 2.81Å; N91-H95 PolarHBondContact O-ND1 2.99Å; S92-H95 PolarHBondContact O-N 3.17Å; S92-H95 VanDerWaalsContact O-N 3.12Å; L93-H95 VanDerWaalsContact C-N 3.33Å; L93-H95 PolarHBondContact O-N 2.95Å; H95-I97 PolarHBondContact O-N 3.22Å; H95-R98 PolarHBondContact O-N 2.94Å; H95-K99 HydrophobicContact CB-CG 4.31Å; H95-K99 VanDerWaalsContact O-CB 3.28Å; H95-K99 WeakPolarHBondContact O-CB 3.47Å; H95-K99 PolarHBondContact O-N 3.3Å |
| 96 | I | 96.6 | Very high | 96.6 | Very high | 35 Ų | 35 | 66.1 Ų | 66.1 | 18% | 0.179 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -50.1 | -44.8 | 175.6 | -69 | 168.4 | 0 | 0 | 0 | 110.8 | L64 I82 S92 N100 | L64-I96 HydrophobicContact CD1-CG2 3.78Å; I82-I96 HydrophobicContact CD1-CD1 4.1Å; S92-I96 VanDerWaalsContact O-CG1 3.32Å; S92-I96 WeakPolarHBondContact O-CG1 3.33Å; S92-I96 PolarHBondContact O-N 3.48Å; I96-N100 VanDerWaalsContact O-CB 3.3Å; I96-N100 WeakPolarHBondContact O-CB 3.44Å |
| 97 | I | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -77.3 | -50.2 | -178.8 | -68.2 | 173.3 | 0 | 0 | 0 | 111.9 | V49 L93 R94 H95 N101 Y102 R107 A110 | V49-I97 HydrophobicContact CG1-CD1 4.12Å; L93-I97 HydrophobicContact CD1-CD1 3.95Å; L93-I97 HydrophobicContact CD1-CG1 4.41Å; L93-I97 HydrophobicContact CG-CD1 4.35Å; L93-I97 PolarHBondContact O-N 2.92Å; R94-I97 PolarHBondContact O-N 3.42Å; H95-I97 PolarHBondContact O-N 3.22Å; I97-N101 PolarHBondContact O-N 3.05Å; I97-Y102 WeakPolarHBondContact CG2-O 3.17Å; I97-Y102 PolarHBondContact O-N 2.95Å; I97-R107 HydrophobicContact CG2-CB 3.74Å; I97-R107 HydrophobicContact CG2-CG 4.15Å; I97-A110 HydrophobicContact CD1-CB 3.7Å |
| 98 | R | 96.3 | Very high | 96.8 | Very high | 159 Ų | 159 | 61.7 Ų | 61.7 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -75.2 | -48.1 | -170.7 | -177.7 | -179.2 | 169 | -174.4 | -2.6 | 112.3 | R94 H95 N101 | R94-R98 VanDerWaalsContact O-CB 3.24Å; R94-R98 WeakPolarHBondContact O-CB 3.48Å; R94-R98 PolarHBondContact O-N 3.17Å; H95-R98 PolarHBondContact O-N 2.94Å; R98-N101 PolarHBondContact O-N 3.13Å |
| 99 | K | 95.9 | Very high | 96.8 | Very high | 144 Ų | 144 | 61 Ų | 61 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71.9 | -35.8 | -174.4 | -65.9 | -71 | -171.3 | 168.2 | 0 | 111.4 | H95 N101 | H95-K99 HydrophobicContact CB-CG 4.31Å; H95-K99 VanDerWaalsContact O-CB 3.28Å; H95-K99 WeakPolarHBondContact O-CB 3.47Å; H95-K99 PolarHBondContact O-N 3.3Å; K99-N101 PolarHBondContact O-N 3.01Å |
| 100 | N | 94.6 | Very high | 96.8 | Very high | 111 Ų | 111 | 60.9 Ų | 60.9 | 59% | 0.594 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 7 | 178.3 | -56.3 | 2.3 | 0 | 0 | 0 | 112.9 | I96 Y102 | I96-N100 VanDerWaalsContact O-CB 3.3Å; I96-N100 WeakPolarHBondContact O-CB 3.44Å; N100-Y102 PolarHBondContact O-N 2.82Å; N100-Y102 VanDerWaalsContact O-N 3.1Å |
| 101 | N | 95.2 | Very high | 96.8 | Very high | 100 Ų | 100 | 59.9 Ų | 59.9 | 54% | 0.535 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 36.8 | -176.1 | -60.8 | -54.2 | 0 | 0 | 0 | 113.2 | I97 R98 K99 K104 | I97-N101 PolarHBondContact O-N 3.05Å; R98-N101 PolarHBondContact O-N 3.13Å; K99-N101 PolarHBondContact O-N 3.01Å; N101-K104 WeakPolarHBondContact OD1-CE 3.47Å; N101-K104 PolarHBondContact OD1-NZ 3.15Å |
| 102 | Y | 95.9 | Very high | 96.9 | Very high | 31 Ų | 31 | 64.9 Ų | 64.9 | 12% | 0.122 | 29% | 0.292 | C | S | . | . | trans | -103.1 | 96.9 | -170.1 | -163.5 | -80.5 | 0 | 0 | 0 | 110.7 | K47 T48 V49 L64 K65 I97 N100 K104 | K47-Y102 VanDerWaalsContact CA-OH 3.31Å; K47-Y102 WeakPolarHBondContact CA-OH 3.38Å; K47-Y102 HydrophobicContact CB-CE1 3.9Å; K47-Y102 HydrophobicContact CB-CE2 4.05Å; K47-Y102 HydrophobicContact CD-CD2 4Å; K47-Y102 HydrophobicContact CD-CE2 3.88Å; K47-Y102 HydrophobicContact CG-CD2 4.39Å; K47-Y102 HydrophobicContact CG-CE2 3.75Å; T48-Y102 PolarHBondContact N-OH 3.02Å; T48-Y102 WeakPolarHBondContact O-CE1 3.48Å; T48-Y102 PolarHBondContact O-OH 2.83Å; V49-Y102 HydrophobicContact CG2-CD1 3.69Å; V49-Y102 HydrophobicContact CG2-CE1 3.74Å; L64-Y102 HydrophobicContact CD2-CD1 4.18Å; L64-Y102 HydrophobicContact CD2-CE1 3.97Å; K65-Y102 PolarHBondContact N-OH 3.44Å; K65-Y102 PolarHBondContact O-OH 2.72Å; I97-Y102 WeakPolarHBondContact CG2-O 3.17Å; I97-Y102 PolarHBondContact O-N 2.95Å; N100-Y102 PolarHBondContact O-N 2.82Å; N100-Y102 VanDerWaalsContact O-N 3.1Å; Y102-K104 PolarHBondContact O-N 3.47Å | ||
| 103 | R | 95.6 | Very high | 96.9 | Very high | 34 Ų | 34 | 67 Ų | 67 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | trans | 50 | 58.8 | 179.5 | -76.2 | -148.9 | 58.7 | 179.8 | -1.8 | 113.5 | R39 K47 V49 D105 L106 | R39-R103 PolarHBondContact O-NH1 2.96Å; R39-R103 VanDerWaalsContact O-NH1 3.1Å; R39-R103 PolarHBondContact O-NH2 3.5Å; K47-R103 HydrophobicContact CB-CG 3.95Å; K47-R103 WeakPolarHBondContact O-CD 3.08Å; V49-R103 HydrophobicContact CG2-CB 4.41Å; R103-D105 WeakPolarHBondContact CA-OD1 3.46Å; R103-D105 WeakPolarHBondContact CB-OD1 3.42Å; R103-D105 IonicContact CZ-OD1 3.74Å; R103-D105 IonicContact CZ-OD2 3.67Å; R103-D105 IonicContact NE-OD1 3.06Å; R103-D105 PolarHBondContact NE-OD1 2.87Å; R103-D105 IonicContact NE-OD2 3.78Å; R103-D105 IonicContact NH2-OD1 3.51Å; R103-D105 IonicContact NH2-OD2 2.72Å; R103-D105 PolarHBondContact NH2-OD2 3.33Å; R103-D105 PolarHBondContact O-N 3.07Å; R103-L106 HydrophobicContact CB-CD1 4.45Å; R103-L106 HydrophobicContact CB-CG 4.47Å; R103-L106 PolarHBondContact O-N 3.32Å | ||
| 104 | K | 96.6 | Very high | 96.9 | Very high | 116 Ų | 116 | 67 Ų | 67 | 50% | 0.504 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -53.3 | -28.2 | 177.8 | -65.3 | -177.7 | -176.4 | 174.3 | 0 | 112.8 | N101 Y102 L106 R107 | N101-K104 WeakPolarHBondContact OD1-CE 3.47Å; N101-K104 PolarHBondContact OD1-NZ 3.15Å; Y102-K104 PolarHBondContact O-N 3.47Å; K104-L106 VanDerWaalsContact C-N 3.25Å; K104-L106 PolarHBondContact O-N 3.3Å; K104-R107 WeakPolarHBondContact O-CB 3.38Å; K104-R107 PolarHBondContact O-N 2.9Å |
| 105 | D | 96.3 | Very high | 96.8 | Very high | 64 Ų | 64 | 66 Ų | 66 | 34% | 0.342 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -62.1 | -28.6 | 176.9 | 77.8 | -66.3 | 0 | 0 | 0 | 113.1 | R39 R103 | R39-D105 IonicContact CZ-OD2 3.82Å; R39-D105 IonicContact NE-OD2 3.01Å; R39-D105 PolarHBondContact NE-OD2 3.08Å; R39-D105 PolarHBondContact NH2-O 3.46Å; R39-D105 IonicContact NH2-OD2 3.9Å; R103-D105 WeakPolarHBondContact CA-OD1 3.46Å; R103-D105 WeakPolarHBondContact CB-OD1 3.42Å; R103-D105 IonicContact CZ-OD1 3.74Å; R103-D105 IonicContact CZ-OD2 3.67Å; R103-D105 IonicContact NE-OD1 3.06Å; R103-D105 PolarHBondContact NE-OD1 2.87Å; R103-D105 IonicContact NE-OD2 3.78Å; R103-D105 IonicContact NH2-OD1 3.51Å; R103-D105 IonicContact NH2-OD2 2.72Å; R103-D105 PolarHBondContact NH2-OD2 3.33Å; R103-D105 PolarHBondContact O-N 3.07Å |
| 106 | L | 97.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -90.1 | -8.9 | 178.6 | -69.2 | -172.7 | 0 | 0 | 0 | 114.4 | L32 F40 V49 R103 K104 M108 A109 A110 | L32-L106 HydrophobicContact CD1-CB 3.82Å; L32-L106 HydrophobicContact CD1-CD1 3.86Å; L32-L106 HydrophobicContact CD1-CD2 4.21Å; L32-L106 HydrophobicContact CD1-CG 4.18Å; F40-L106 HydrophobicContact CD1-CD2 3.61Å; F40-L106 HydrophobicContact CE1-CD2 3.74Å; V49-L106 HydrophobicContact CB-CD1 4.3Å; R103-L106 HydrophobicContact CB-CD1 4.45Å; R103-L106 HydrophobicContact CB-CG 4.47Å; R103-L106 PolarHBondContact O-N 3.32Å; K104-L106 VanDerWaalsContact C-N 3.25Å; K104-L106 PolarHBondContact O-N 3.3Å; L106-M108 VanDerWaalsContact C-N 3.3Å; L106-M108 PolarHBondContact O-N 3.18Å; L106-M108 VanDerWaalsContact O-N 3.15Å; L106-A109 WeakPolarHBondContact O-CA 3.3Å; L106-A109 WeakPolarHBondContact O-CB 3.42Å; L106-A109 PolarHBondContact O-N 2.78Å; L106-A110 PolarHBondContact O-N 3.38Å |
| 107 | R | 97.3 | Very high | 96.8 | Very high | 84 Ų | 84 | 63.3 Ų | 63.3 | 32% | 0.317 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -45.4 | -53.2 | -173.4 | -177.9 | 178.1 | 59.6 | 85.4 | -3.9 | 112.8 | R94 I97 K104 A110 L111 | R94-R107 HydrophobicContact CG-CG 4.42Å; I97-R107 HydrophobicContact CG2-CB 3.74Å; I97-R107 HydrophobicContact CG2-CG 4.15Å; K104-R107 WeakPolarHBondContact O-CB 3.38Å; K104-R107 PolarHBondContact O-N 2.9Å; R107-A110 PolarHBondContact O-N 2.88Å; R107-L111 HydrophobicContact CG-CD1 4.17Å; R107-L111 VanDerWaalsContact O-CG 3.28Å; R107-L111 WeakPolarHBondContact O-CG 3.31Å; R107-L111 PolarHBondContact O-N 3.33Å |
| 108 | M | 97.9 | Very high | 96.7 | Very high | 76 Ų | 76 | 64.1 Ų | 64.1 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -73.8 | -26.7 | -176.2 | -73.1 | -53.3 | -57.8 | 0 | 0 | 113.5 | L106 L111 R112 | L106-M108 VanDerWaalsContact C-N 3.3Å; L106-M108 PolarHBondContact O-N 3.18Å; L106-M108 VanDerWaalsContact O-N 3.15Å; M108-L111 HydrophobicContact SD-CD1 3.91Å; M108-R112 WeakPolarHBondContact O-CG 3.47Å; M108-R112 PolarHBondContact O-N 3.04Å |
| 109 | A | 97.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.2 | -42.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L32 K33 F40 L106 R112 R113 | L32-A109 HydrophobicContact CB-CB 4.14Å; L32-A109 HydrophobicContact CD1-CB 4.02Å; K33-A109 HydrophobicContact CG-CB 4.35Å; F40-A109 HydrophobicContact CE1-CB 4.37Å; L106-A109 WeakPolarHBondContact O-CA 3.3Å; L106-A109 WeakPolarHBondContact O-CB 3.42Å; L106-A109 PolarHBondContact O-N 2.78Å; A109-R112 PolarHBondContact O-N 3.38Å; A109-R113 PolarHBondContact O-N 3.03Å |
| 110 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L32 V49 V51 L93 I97 L106 R107 R112 R113 A114 | L32-A110 HydrophobicContact CD1-CB 3.93Å; L32-A110 HydrophobicContact CD2-CB 4.37Å; V49-A110 HydrophobicContact CG1-CB 4.21Å; V51-A110 HydrophobicContact CG2-CB 4Å; L93-A110 HydrophobicContact CD1-CB 4.49Å; L93-A110 HydrophobicContact CD2-CB 4.09Å; L93-A110 HydrophobicContact CG-CB 4.48Å; I97-A110 HydrophobicContact CD1-CB 3.7Å; L106-A110 PolarHBondContact O-N 3.38Å; R107-A110 PolarHBondContact O-N 2.88Å; A110-R112 PolarHBondContact O-N 2.95Å; A110-R113 PolarHBondContact O-N 3.1Å; A110-A114 WeakPolarHBondContact O-CB 3.4Å; A110-A114 PolarHBondContact O-N 2.83Å |
| 111 | L | 98.1 | Very high | 96.4 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.7 | -70.1 | 172.7 | 0 | 0 | 0 | 112.6 | L90 L93 R94 R107 M108 A114 S115 | L90-L111 HydrophobicContact CB-CD2 4.11Å; L90-L111 HydrophobicContact CD2-CB 4.48Å; L90-L111 HydrophobicContact CD2-CD2 3.98Å; L90-L111 WeakPolarHBondContact CD2-O 3.28Å; L90-L111 WeakPolarHBondContact O-CD2 3.34Å; L93-L111 HydrophobicContact CB-CD2 4.28Å; L93-L111 HydrophobicContact CD2-CD2 4.24Å; L93-L111 HydrophobicContact CG-CD2 4.25Å; R94-L111 HydrophobicContact CB-CD1 4.45Å; R94-L111 HydrophobicContact CB-CD2 4.24Å; R94-L111 HydrophobicContact CG-CD1 4.42Å; R107-L111 HydrophobicContact CG-CD1 4.17Å; R107-L111 VanDerWaalsContact O-CG 3.28Å; R107-L111 WeakPolarHBondContact O-CG 3.31Å; R107-L111 PolarHBondContact O-N 3.33Å; M108-L111 HydrophobicContact SD-CD1 3.91Å; L111-A114 PolarHBondContact O-N 2.8Å; L111-S115 WeakPolarHBondContact O-CB 3.42Å; L111-S115 PolarHBondContact O-N 2.8Å |
| 112 | R | 98.2 | Very high | 96.2 | Very high | 164 Ų | 164 | 60.6 Ų | 60.6 | 62% | 0.619 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.8 | -41.9 | 177.3 | -75.7 | -175.8 | 178.7 | 97.3 | -5.2 | 111.9 | M108 A109 A110 S115 A116 | M108-R112 WeakPolarHBondContact O-CG 3.47Å; M108-R112 PolarHBondContact O-N 3.04Å; A109-R112 PolarHBondContact O-N 3.38Å; A110-R112 PolarHBondContact O-N 2.95Å; R112-S115 PolarHBondContact O-N 3.21Å; R112-A116 PolarHBondContact O-N 3.32Å |
| 113 | R | 97.6 | Very high | 95.7 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 30% | 0.302 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 175.9 | -171.9 | 171.3 | -174.5 | 106.9 | -1.5 | 111.9 | N31 L32 V51 A109 A110 S115 A116 I117 | N31-R113 PolarHBondContact O-NH1 3.29Å; N31-R113 VanDerWaalsContact O-NH1 3.09Å; L32-R113 WeakPolarHBondContact O-CD 3.28Å; L32-R113 PolarHBondContact O-NH1 3.32Å; V51-R113 HydrophobicContact CB-CB 4.43Å; V51-R113 HydrophobicContact CB-CG 4.19Å; V51-R113 HydrophobicContact CG1-CG 4.42Å; V51-R113 WeakPolarHBondContact O-CD 3.41Å; V51-R113 PolarHBondContact O-NE 3.15Å; A109-R113 PolarHBondContact O-N 3.03Å; A110-R113 PolarHBondContact O-N 3.1Å; R113-S115 VanDerWaalsContact C-N 3.34Å; R113-S115 PolarHBondContact O-N 3.32Å; R113-A116 PolarHBondContact O-N 3.29Å; R113-I117 HydrophobicContact CG-CD1 4.16Å; R113-I117 WeakPolarHBondContact O-CG1 3.31Å; R113-I117 PolarHBondContact O-N 3.31Å |
| 114 | A | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V51 V60 L90 L93 A110 L111 A116 I117 L118 | V51-A114 HydrophobicContact CG1-CB 3.9Å; V60-A114 HydrophobicContact CG1-CB 4.42Å; L90-A114 HydrophobicContact CD2-CB 3.84Å; L93-A114 HydrophobicContact CD2-CB 3.7Å; A110-A114 WeakPolarHBondContact O-CB 3.4Å; A110-A114 PolarHBondContact O-N 2.83Å; L111-A114 PolarHBondContact O-N 2.8Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 3.24Å; A114-I117 PolarHBondContact O-N 2.95Å; A114-L118 WeakPolarHBondContact O-CB 3.38Å; A114-L118 VanDerWaalsContact O-CG 3.32Å; A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 3.06Å |
| 115 | S | 97.3 | Very high | 94.5 | Very high | 59 Ų | 59 | 69.8 Ų | 69.8 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 175.5 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | L111 R112 R113 K119 | L111-S115 WeakPolarHBondContact O-CB 3.42Å; L111-S115 PolarHBondContact O-N 2.8Å; R112-S115 PolarHBondContact O-N 3.21Å; R113-S115 VanDerWaalsContact C-N 3.34Å; R113-S115 PolarHBondContact O-N 3.32Å; S115-K119 WeakPolarHBondContact O-CB 3.3Å; S115-K119 PolarHBondContact O-N 2.95Å |
| 116 | A | 96.7 | Very high | 93.6 | Very high | 60 Ų | 60 | 72.6 Ų | 72.6 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R112 R113 A114 K119 S120 | R112-A116 PolarHBondContact O-N 3.32Å; R113-A116 PolarHBondContact O-N 3.29Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 3.24Å; A116-K119 PolarHBondContact O-N 3.16Å; A116-S120 PolarHBondContact O-N 3.34Å |
| 117 | I | 96.1 | Very high | 92.4 | Very high | 17 Ų | 17 | 81.6 Ų | 81.6 | 9% | 0.087 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 175 | -68.5 | 161.4 | 0 | 0 | 0 | 111 | V51 P53 V60 R113 A114 K119 S120 Q121 | V51-I117 HydrophobicContact CG1-CD1 3.88Å; P53-I117 HydrophobicContact CB-CG2 4.01Å; V60-I117 HydrophobicContact CG2-CB 4.36Å; V60-I117 HydrophobicContact CG2-CG2 3.94Å; R113-I117 HydrophobicContact CG-CD1 4.16Å; R113-I117 WeakPolarHBondContact O-CG1 3.31Å; R113-I117 PolarHBondContact O-N 3.31Å; A114-I117 PolarHBondContact O-N 2.95Å; I117-K119 PolarHBondContact O-N 3.49Å; I117-S120 WeakPolarHBondContact CA-OG 3.49Å; I117-S120 PolarHBondContact O-N 3.1Å; I117-S120 VanDerWaalsContact O-N 3.08Å; I117-S120 PolarHBondContact O-OG 2.69Å; I117-Q121 HydrophobicContact CG2-CG 4.43Å; I117-Q121 VanDerWaalsContact O-CG 3.29Å; I117-Q121 WeakPolarHBondContact O-CG 3.34Å; I117-Q121 PolarHBondContact O-N 3.2Å |
| 118 | L | 95.6 | Very high | 91.1 | Very high | 16 Ų | 16 | 87 Ų | 87 | 8% | 0.084 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.5 | -31.5 | 177 | -70.7 | 171.4 | 0 | 0 | 0 | 112.1 | V60 T89 A114 K122 | V60-L118 HydrophobicContact CG2-CD2 3.97Å; V60-L118 HydrophobicContact CG2-CG 3.96Å; T89-L118 HydrophobicContact CG2-CD1 4.1Å; A114-L118 WeakPolarHBondContact O-CB 3.38Å; A114-L118 VanDerWaalsContact O-CG 3.32Å; A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 3.06Å; L118-K122 WeakPolarHBondContact O-CG 3.42Å |
| 119 | K | 93.8 | Very high | 89.8 | Confident | 165 Ų | 165 | 92.9 Ų | 92.9 | 72% | 0.717 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -71.8 | -41.3 | 173.4 | -174.5 | 179.6 | 178.3 | -176.8 | 0 | 111.5 | S115 A116 I117 Q121 K122 | S115-K119 WeakPolarHBondContact O-CB 3.3Å; S115-K119 PolarHBondContact O-N 2.95Å; A116-K119 PolarHBondContact O-N 3.16Å; I117-K119 PolarHBondContact O-N 3.49Å; K119-Q121 VanDerWaalsContact C-N 3.25Å; K119-Q121 PolarHBondContact O-N 3.21Å; K119-K122 PolarHBondContact O-N 2.84Å |
| 120 | S | 93.2 | Very high | 88.3 | Confident | 92 Ų | 92 | 104.1 Ų | 104.1 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.1 | -23.9 | 179.4 | 69.2 | 0 | 0 | 0 | 0 | 113.3 | A116 I117 | A116-S120 PolarHBondContact O-N 3.34Å; I117-S120 WeakPolarHBondContact CA-OG 3.49Å; I117-S120 PolarHBondContact O-N 3.1Å; I117-S120 VanDerWaalsContact O-N 3.08Å; I117-S120 PolarHBondContact O-OG 2.69Å |
| 121 | Q | 93 | Very high | 87.1 | Confident | 55 Ų | 55 | 110.4 Ų | 110.4 | 26% | 0.257 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.2 | -13.7 | 175.9 | -70.7 | 174.3 | -12.6 | 0 | 0 | 113.8 | G57 G59 I117 K119 | G57-Q121 WeakPolarHBondContact O-CG 3.36Å; G57-Q121 PolarHBondContact O-NE2 3.05Å; G59-Q121 PolarHBondContact O-NE2 2.8Å; G59-Q121 PolarHBondContact O-OE1 2.85Å; I117-Q121 HydrophobicContact CG2-CG 4.43Å; I117-Q121 VanDerWaalsContact O-CG 3.29Å; I117-Q121 WeakPolarHBondContact O-CG 3.34Å; I117-Q121 PolarHBondContact O-N 3.2Å; K119-Q121 VanDerWaalsContact C-N 3.25Å; K119-Q121 PolarHBondContact O-N 3.21Å |
| 122 | K | 89.9 | Confident | 85.7 | Confident | 129 Ų | 129 | 121.1 Ų | 121.1 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -73.3 | 144.3 | 177.4 | -72.7 | 179.6 | -180 | -168.8 | 0 | 110 | L118 K119 V124 | L118-K122 WeakPolarHBondContact O-CG 3.42Å; K119-K122 PolarHBondContact O-N 2.84Å; K122-V124 PolarHBondContact O-N 2.89Å |
| 123 | P | 86.9 | Confident | 84.4 | Confident | 121 Ų | 121 | 117.9 Ų | 117.9 | 79% | 0.786 | 60% | 0.601 | S | S | * | * | trans | -53 | 133.2 | 173.4 | -25.3 | 33.7 | 0 | 0 | 0 | 111.2 | V125 | P123-V125 PolarHBondContact O-N 2.66Å; P123-V125 VanDerWaalsContact O-N 3.17Å | ||
| 124 | V | 85.5 | Confident | 83.1 | Confident | 133 Ų | 133 | 120.5 Ų | 120.5 | 81% | 0.806 | 63% | 0.626 | S | S | * | * | trans | -75.4 | 106.1 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | K122 V126 | K122-V124 PolarHBondContact O-N 2.89Å; V124-V126 PolarHBondContact O-N 2.78Å | ||
| 125 | V | 80.4 | Confident | 81.6 | Confident | 120 Ų | 120 | 130.1 Ų | 130.1 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -74.2 | 106.8 | 171.1 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | P123 K127 | P123-V125 PolarHBondContact O-N 2.66Å; P123-V125 VanDerWaalsContact O-N 3.17Å; V125-K127 PolarHBondContact O-N 3.33Å | ||
| 126 | V | 78.3 | Confident | 80 | Confident | 123 Ų | 123 | 133.9 Ų | 133.9 | 75% | 0.745 | 69% | 0.688 | S | S | * | * | trans | -65.4 | 102.7 | 172.2 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | V124 K128 | V124-V126 PolarHBondContact O-N 2.78Å; V126-K128 PolarHBondContact O-N 2.91Å | ||
| 127 | K | 70.8 | Confident | 78.5 | Confident | 193 Ų | 193 | 139.4 Ų | 139.4 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | -69 | 104.1 | 173.8 | -70 | -172.7 | 177.5 | -175.1 | 0 | 107.9 | V125 K129 | V125-K127 PolarHBondContact O-N 3.33Å; K127-K129 PolarHBondContact O-N 3.19Å | ||
| 128 | K | 71.4 | Confident | 77.6 | Confident | 198 Ų | 198 | 145.5 Ų | 145.5 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -57 | 126.5 | 168 | -73.5 | -174.2 | 178.1 | -178.3 | 0 | 108.1 | V126 R130 | V126-K128 PolarHBondContact O-N 2.91Å; K128-R130 PolarHBondContact O-N 3.25Å; K128-R130 VanDerWaalsContact O-N 3.1Å | ||
| 129 | K | 70.3 | Confident | 76.7 | Confident | 199 Ų | 199 | 152.3 Ų | 152.3 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -60.4 | 115.3 | 175.4 | -154.2 | 178 | -173.7 | -177.1 | 0 | 106.3 | K127 T131 | K127-K129 PolarHBondContact O-N 3.19Å; K129-T131 PolarHBondContact O-N 3.11Å | ||
| 130 | R | 65.7 | Low | 75.7 | Confident | 248 Ų | 248 | 151.6 Ų | 151.6 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -61.9 | 106.3 | 174 | -112.1 | 179.6 | 159.8 | -178 | -6.5 | 106.8 | K128 R132 | K128-R130 PolarHBondContact O-N 3.25Å; K128-R130 VanDerWaalsContact O-N 3.1Å; R130-R132 PolarHBondContact O-N 3.14Å | ||
| 131 | T | 72.3 | Confident | 74.7 | Confident | 132 Ų | 132 | 155.1 Ų | 155.1 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 121.5 | 166.7 | 41.6 | 0 | 0 | 0 | 0 | 106.7 | K129 A133 | K129-T131 PolarHBondContact O-N 3.11Å; T131-A133 PolarHBondContact O-N 3.39Å |
| 132 | R | 68.9 | Low | 73.5 | Confident | 240 Ų | 240 | 161.4 Ų | 161.4 | 91% | 0.906 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 129.9 | 168.9 | -88.8 | -179.2 | 168.3 | 176.6 | -4 | 106.7 | R130 V134 | R130-R132 PolarHBondContact O-N 3.14Å; R132-V134 PolarHBondContact O-N 3.01Å |
| 133 | A | 72 | Confident | 72.4 | Confident | 95 Ų | 95 | 163.5 Ų | 163.5 | 79% | 0.785 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 130.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | T131 K135 | T131-A133 PolarHBondContact O-N 3.39Å; A133-K135 PolarHBondContact O-N 3.49Å |
| 134 | V | 70.3 | Confident | 71.4 | Confident | 135 Ų | 135 | 166.6 Ų | 166.6 | 82% | 0.818 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 123 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | R132 T136 | R132-V134 PolarHBondContact O-N 3.01Å; V134-T136 PolarHBondContact O-N 3.14Å |
| 135 | K | 66 | Low | 70.3 | Confident | 203 Ų | 203 | 169.2 Ų | 169.2 | 88% | 0.883 | 88% | 0.882 | S | S | * | * | trans | -65.3 | 116 | 169.4 | -90.4 | -175.2 | 170.2 | -173.1 | 0 | 107.1 | A133 | A133-K135 PolarHBondContact O-N 3.49Š| ||
| 136 | T | 62.8 | Low | 69.5 | Low | 137 Ų | 137 | 173.3 Ų | 173.3 | 84% | 0.84 | 90% | 0.895 | S | S | * | * | trans | -65.6 | 131.9 | 164.1 | 41.1 | 0 | 0 | 0 | 0 | 108.5 | V134 | V134-T136 PolarHBondContact O-N 3.14Š| ||
| 137 | A | 65 | Low | 68.7 | Low | 176 Ų | 176 | 177.8 Ų | 177.8 | 100% | 1.455 | 91% | 0.909 | S | S | * | * | trans | -70.7 | 0 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 |
Retrieved 137 of 137 residues in 170.5 ms
(Link to these results)