| 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 | 69.6 | Low | 86.8 | Confident | 247 Ų | 247 | 121.9 Ų | 121.9 | 100% | 1.217 | 58% | 0.584 | S | S | * | * | 0 | 121.2 | 0 | -156.7 | -179 | -123 | 0 | 0 | 109.9 | |||||
| 2 | T | 87.3 | Confident | 86.8 | Confident | 150 Ų | 150 | 118.3 Ų | 118.3 | 92% | 0.92 | 56% | 0.564 | S | S | * | * | trans | -82.1 | 137.5 | -174.5 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 3 | R | 88.5 | Confident | 86.9 | Confident | 123 Ų | 123 | 119.2 Ų | 119.2 | 46% | 0.464 | 56% | 0.564 | S | S | . | * | trans | -121.2 | 107.3 | -175 | -166.8 | -178.9 | -172.7 | -174.8 | 8 | 111.7 | R5 R6 H8 | R3-R5 VanDerWaalsContact C-N 3.28Å; R3-R5 WeakPolarHBondContact CD-O 3.41Å; R3-R5 VanDerWaalsContact CG-O 3.26Å; R3-R5 WeakPolarHBondContact CG-O 3.22Å; R3-R5 PolarHBondContact NE-O 3.27Å; R3-R5 PolarHBondContact O-N 3.03Å; R3-R6 PolarHBondContact NH1-O 3.4Å; R3-R6 VanDerWaalsContact NH2-C 3.3Å; R3-R6 PolarHBondContact NH2-O 3.47Å; R3-H8 PolarHBondContact NE-CE1 3.04Å; R3-H8 PolarHBondContact NE-ND1 3.21Å; R3-H8 PolarHBondContact NE-NE2 3.15Å; R3-H8 PolarHBondContact NH2-CD2 3.18Å; R3-H8 PolarHBondContact NH2-NE2 3.06Å | ||
| 4 | K | 89.4 | Confident | 87 | Confident | 141 Ų | 141 | 117.3 Ų | 117.3 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -58.9 | -34.6 | 177.5 | -174 | 175.8 | -178.8 | 171.6 | 0 | 113.8 | R93 | K4-R93 VanDerWaalsContact CE-NH1 3.28Š|
| 5 | R | 89.2 | Confident | 86.9 | Confident | 104 Ų | 104 | 121.6 Ų | 121.6 | 39% | 0.392 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -139.3 | 128.1 | -179 | -69.3 | -179 | 163.7 | 118.7 | -3.3 | 110.3 | R3 N7 H8 | R3-R5 VanDerWaalsContact C-N 3.28Å; R3-R5 WeakPolarHBondContact CD-O 3.41Å; R3-R5 VanDerWaalsContact CG-O 3.26Å; R3-R5 WeakPolarHBondContact CG-O 3.22Å; R3-R5 PolarHBondContact NE-O 3.27Å; R3-R5 PolarHBondContact O-N 3.03Å; R5-N7 PolarHBondContact O-N 3.49Å; R5-H8 PolarHBondContact O-N 3.1Å |
| 6 | R | 87.9 | Confident | 87 | Confident | 218 Ų | 218 | 117.9 Ų | 117.9 | 82% | 0.823 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -10.8 | 175.6 | -173.2 | 178.4 | 176.2 | -156 | 0 | 114.7 | R3 | R3-R6 PolarHBondContact NH1-O 3.4Å; R3-R6 VanDerWaalsContact NH2-C 3.3Å; R3-R6 PolarHBondContact NH2-O 3.47Å |
| 7 | N | 84.9 | Confident | 87.2 | Confident | 31 Ų | 31 | 118.5 Ų | 118.5 | 17% | 0.166 | 60% | 0.601 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -114.3 | 10.3 | 175 | -77.5 | 4.5 | 0 | 0 | 0 | 113.4 | R5 G9 R10 K13 R96 | R5-N7 PolarHBondContact O-N 3.49Å; N7-G9 PolarHBondContact O-N 3.22Å; N7-R10 PolarHBondContact O-N 3.01Å; N7-K13 WeakPolarHBondContact OD1-CE 3.32Å; N7-K13 PolarHBondContact OD1-NZ 3.16Å; N7-R96 PolarHBondContact ND2-NH2 3.36Å; N7-R96 VanDerWaalsContact ND2-NH2 3.11Å |
| 8 | H | 89.2 | Confident | 87.4 | Confident | 136 Ų | 136 | 113.2 Ų | 113.2 | 63% | 0.63 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.5 | 16.1 | -169.2 | -56.1 | -71 | 0 | 0 | 0 | 115 | R3 R5 | R3-H8 PolarHBondContact NE-CE1 3.04Å; R3-H8 PolarHBondContact NE-ND1 3.21Å; R3-H8 PolarHBondContact NE-NE2 3.15Å; R3-H8 PolarHBondContact NH2-CD2 3.18Å; R3-H8 PolarHBondContact NH2-NE2 3.06Å; R5-H8 PolarHBondContact O-N 3.1Å |
| 9 | G | 88.7 | Confident | 87.7 | Confident | 32 Ų | 32 | 109.7 Ų | 109.7 | 33% | 0.33 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 76.1 | 22.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N7 | N7-G9 PolarHBondContact O-N 3.22Š|
| 10 | R | 91.2 | Very high | 87.9 | Confident | 74 Ų | 74 | 110.3 Ų | 110.3 | 28% | 0.279 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -126.7 | 148.8 | 176.6 | -88.2 | 175.8 | 179.9 | -122.4 | 24.7 | 111.8 | N7 K12 D33 K34 | N7-R10 PolarHBondContact O-N 3.01Å; R10-K12 VanDerWaalsContact C-N 3.27Å; R10-K12 HydrophobicContact CB-CB 4.34Å; R10-K12 PolarHBondContact O-N 3.03Å; R10-D33 VanDerWaalsContact CB-OD2 3.32Å; R10-D33 WeakPolarHBondContact CB-OD2 3.31Å; R10-D33 WeakPolarHBondContact CD-OD2 3.21Å; R10-D33 WeakPolarHBondContact CG-OD2 3.36Å; R10-D33 IonicContact CZ-OD2 3.85Å; R10-D33 IonicContact NE-OD2 3.82Å; R10-D33 IonicContact NH1-OD1 3.02Å; R10-D33 PolarHBondContact NH1-OD1 2.8Å; R10-D33 IonicContact NH1-OD2 3.05Å; R10-D33 PolarHBondContact NH1-OD2 3.39Å; R10-K34 HydrophobicContact CG-CB 3.71Å; R10-K34 HydrophobicContact CG-CD 4.15Å; R10-K34 HydrophobicContact CG-CG 4Å |
| 11 | S | 89.2 | Confident | 88.2 | Confident | 85 Ų | 85 | 107.3 Ų | 107.3 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | trans | -92.6 | 50.8 | 170.8 | -157.3 | 0 | 0 | 0 | 0 | 112.1 | D33 | S11-D33 PolarHBondContact N-O 3.01Š| ||
| 12 | K | 87 | Confident | 89.4 | Confident | 79 Ų | 79 | 104.6 Ų | 104.6 | 34% | 0.343 | 53% | 0.529 | S | S | . | . | trans | -106.8 | 102.9 | -178.9 | -163.1 | 177.6 | 177.7 | -171.6 | 0 | 109.3 | R10 R15 G16 V18 D33 | R10-K12 VanDerWaalsContact C-N 3.27Å; R10-K12 HydrophobicContact CB-CB 4.34Å; R10-K12 PolarHBondContact O-N 3.03Å; K12-R15 HydrophobicContact CG-CB 4.33Å; K12-G16 WeakPolarHBondContact CE-O 3.22Å; K12-G16 PolarHBondContact NZ-O 3.02Å; K12-V18 HydrophobicContact CD-CG2 4.47Å; K12-V18 HydrophobicContact CG-CG2 4.28Å; K12-D33 WeakPolarHBondContact CB-OD2 3.45Å | ||
| 13 | K | 87.7 | Confident | 89.8 | Confident | 130 Ų | 130 | 97.7 Ų | 97.7 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -121.9 | 113.4 | 175 | -61.3 | -65.1 | 179.1 | 179.7 | 0 | 107.3 | N7 R15 | N7-K13 WeakPolarHBondContact OD1-CE 3.32Å; N7-K13 PolarHBondContact OD1-NZ 3.16Å; K13-R15 WeakPolarHBondContact O-CG 3.13Å; K13-R15 PolarHBondContact O-N 3.33Å; K13-R15 VanDerWaalsContact O-N 3.08Å |
| 14 | G | 88.5 | Confident | 90.1 | Very high | 92 Ų | 92 | 95.2 Ų | 95.2 | 95% | 0.948 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 67.8 | -0.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 15 | R | 85.5 | Confident | 90.3 | Very high | 182 Ų | 182 | 93.4 Ų | 93.4 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | trans | -85.8 | -10.9 | -169.4 | -57.2 | -163.1 | -159.4 | -112.8 | 1.1 | 116.8 | K12 K13 H17 V18 | K12-R15 HydrophobicContact CG-CB 4.33Å; K13-R15 WeakPolarHBondContact O-CG 3.13Å; K13-R15 PolarHBondContact O-N 3.33Å; K13-R15 VanDerWaalsContact O-N 3.08Å; R15-H17 PolarHBondContact O-N 3.25Å; R15-H17 VanDerWaalsContact O-O 3.07Å; R15-V18 HydrophobicContact CB-CG2 4.22Å | ||
| 16 | G | 88.8 | Confident | 90.6 | Very high | 63 Ų | 63 | 91.8 Ų | 91.8 | 65% | 0.649 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 67.3 | -64.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K12 | K12-G16 WeakPolarHBondContact CE-O 3.22Å; K12-G16 PolarHBondContact NZ-O 3.02Å |
| 17 | H | 89.2 | Confident | 90.8 | Very high | 127 Ų | 127 | 83.2 Ų | 83.2 | 59% | 0.588 | 47% | 0.467 | S | S | * | . | trans | -134.9 | 154.1 | 173.2 | -179.5 | -100.1 | 0 | 0 | 0 | 109.9 | R15 F20 | R15-H17 PolarHBondContact O-N 3.25Å; R15-H17 VanDerWaalsContact O-O 3.07Å; H17-F20 AromaticContact CE1-CE2 3.83Å; H17-F20 AromaticContact NE2-CD2 3.93Å; H17-F20 AromaticContact NE2-CE2 3.15Å; H17-F20 WeakPolarHBondContact NE2-CE2 3.38Å; H17-F20 AromaticContact NE2-CZ 3.75Å | ||
| 18 | V | 91.5 | Very high | 91.2 | Very high | 23 Ų | 23 | 89.4 Ų | 89.4 | 14% | 0.139 | 49% | 0.488 | C | S | . | . | trans | -136.3 | 134.4 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | K12 R15 K32 D33 | K12-V18 HydrophobicContact CD-CG2 4.47Å; K12-V18 HydrophobicContact CG-CG2 4.28Å; R15-V18 HydrophobicContact CB-CG2 4.22Å; V18-K32 HydrophobicContact CG1-CB 3.87Å; V18-D33 HydrophobicContact CG1-CB 4.43Å; V18-D33 HydrophobicContact CG2-CB 4.35Å | ||
| 19 | G | 92.1 | Very high | 91.5 | Very high | 48 Ų | 48 | 85.4 Ų | 85.4 | 50% | 0.495 | 48% | 0.478 | S | S | . | . | trans | -50.7 | 140.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K32 | G19-K32 PolarHBondContact O-N 2.74Å; G19-K32 VanDerWaalsContact O-N 3.13Å | ||
| 20 | F | 93.5 | Very high | 91.6 | Very high | 120 Ų | 120 | 84.5 Ų | 84.5 | 53% | 0.526 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 145.1 | 178.1 | -64.2 | -83.1 | 0 | 0 | 0 | 111.3 | H17 P31 | H17-F20 AromaticContact CE1-CE2 3.83Å; H17-F20 AromaticContact NE2-CD2 3.93Å; H17-F20 AromaticContact NE2-CE2 3.15Å; H17-F20 WeakPolarHBondContact NE2-CE2 3.38Å; H17-F20 AromaticContact NE2-CZ 3.75Å; F20-P31 HydrophobicContact CD1-CB 3.74Å; F20-P31 HydrophobicContact CD1-CG 4.18Å; F20-P31 HydrophobicContact CE1-CB 3.74Å; F20-P31 HydrophobicContact CE1-CG 3.94Å |
| 21 | I | 93.5 | Very high | 91.8 | Very high | 49 Ų | 49 | 81.4 Ų | 81.4 | 25% | 0.251 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.4 | 173.6 | -61.2 | 177.9 | 0 | 0 | 0 | 107.1 | C30 K32 Q73 | I21-C30 PolarHBondContact N-O 3.13Å; I21-C30 PolarHBondContact O-N 3.09Å; I21-K32 HydrophobicContact CD1-CB 3.62Å; I21-K32 HydrophobicContact CD1-CD 3.95Å; I21-K32 HydrophobicContact CD1-CG 3.54Å; I21-K32 HydrophobicContact CG1-CB 4.12Å; I21-Q73 HydrophobicContact CG2-CB 3.88Å; I21-Q73 HydrophobicContact CG2-CG 3.97Å |
| 22 | R | 95.4 | Very high | 92 | Very high | 189 Ų | 189 | 83.6 Ų | 83.6 | 71% | 0.713 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 134.6 | 174.7 | -64.1 | -77.8 | 173.7 | 99.4 | -4.2 | 109.7 | G27 | R22-G27 WeakPolarHBondContact CD-O 2.93Å |
| 23 | C | 95.3 | Very high | 92.2 | Very high | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.034 | 45% | 0.445 | C | S | . | . | trans | -62.5 | 135.6 | 172.2 | -178.1 | 0 | 0 | 0 | 0 | 110 | N25 G27 R28 Q73 C75 | C23-N25 VanDerWaalsContact C-N 3.25Å; C23-N25 PolarHBondContact O-N 3.36Å; C23-G27 VanDerWaalsContact O-CA 3.31Å; C23-G27 WeakPolarHBondContact O-CA 3.39Å; C23-G27 PolarHBondContact O-N 2.66Å; C23-R28 PolarHBondContact N-O 3.3Å; C23-Q73 WeakPolarHBondContact CA-O 3.34Å; C23-C75 HydrophobicContact CB-CB 4.1Å; C23-C75 PolarHBondContact SG-N 3.4Å | ||
| 24 | T | 94 | Very high | 92.5 | Very high | 72 Ų | 72 | 79 Ų | 79 | 44% | 0.442 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -28.2 | -179.8 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | L72 Q73 | T24-L72 HydrophobicContact CG2-CD2 4.07Å; T24-Q73 PolarHBondContact N-O 2.96Å; T24-Q73 PolarHBondContact OG1-O 2.95Å |
| 25 | N | 93.7 | Very high | 92.7 | Very high | 103 Ų | 103 | 75.3 Ų | 75.3 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -43.4 | -174.6 | -69.2 | 23.5 | 0 | 0 | 0 | 113 | C23 Y74 | C23-N25 VanDerWaalsContact C-N 3.25Å; C23-N25 PolarHBondContact O-N 3.36Å; N25-Y74 WeakPolarHBondContact OD1-CE1 3.35Å |
| 26 | C | 94.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 68 Ų | 68 | 47% | 0.466 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 1.1 | -172 | 63.1 | 0 | 0 | 0 | 0 | 113.9 | R28 C78 | C26-R28 PolarHBondContact O-N 3.29Å; C26-C78 PolarHBondContact SG-SG 3.48Å |
| 27 | G | 93 | Very high | 93.2 | Very high | 39 Ų | 39 | 72.4 Ų | 72.4 | 40% | 0.402 | 37% | 0.368 | S | S | . | . | trans | 65.8 | -1.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R22 C23 A29 | R22-G27 WeakPolarHBondContact CD-O 2.93Å; C23-G27 VanDerWaalsContact O-CA 3.31Å; C23-G27 WeakPolarHBondContact O-CA 3.39Å; C23-G27 PolarHBondContact O-N 2.66Å; G27-A29 PolarHBondContact O-N 3.4Å | ||
| 28 | R | 94 | Very high | 93.3 | Very high | 160 Ų | 160 | 71.1 Ų | 71.1 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | trans | -59.4 | 130.6 | -178.3 | -174.6 | 174.9 | -176.7 | 152.7 | 5.5 | 111.5 | C23 C26 C30 | C23-R28 PolarHBondContact N-O 3.3Å; C26-R28 PolarHBondContact O-N 3.29Å; R28-C30 PolarHBondContact O-N 3.48Å | ||
| 29 | A | 94.4 | Very high | 93.3 | Very high | 52 Ų | 52 | 74.3 Ų | 74.3 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 117.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G27 | G27-A29 PolarHBondContact O-N 3.4Å |
| 30 | C | 92.1 | Very high | 93.3 | Very high | 13 Ų | 13 | 73 Ų | 73 | 9% | 0.088 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.4 | 178.6 | -68.7 | 0 | 0 | 0 | 0 | 109.1 | I21 R28 C75 | I21-C30 PolarHBondContact N-O 3.13Å; I21-C30 PolarHBondContact O-N 3.09Å; R28-C30 PolarHBondContact O-N 3.48Å; C30-C75 WeakPolarHBondContact SG-CB 3.37Å |
| 31 | P | 94.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 70.7 Ų | 70.7 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 141.4 | -179.9 | 25.3 | -23.5 | 0 | 0 | 0 | 109.9 | F20 D33 K34 S35 | F20-P31 HydrophobicContact CD1-CB 3.74Å; F20-P31 HydrophobicContact CD1-CG 4.18Å; F20-P31 HydrophobicContact CE1-CB 3.74Å; F20-P31 HydrophobicContact CE1-CG 3.94Å; P31-D33 VanDerWaalsContact CB-OD1 3.31Å; P31-D33 WeakPolarHBondContact CB-OD1 3.34Å; P31-D33 PolarHBondContact O-N 2.77Å; P31-D33 VanDerWaalsContact O-N 3.07Å; P31-K34 HydrophobicContact CG-CB 3.96Å; P31-K34 WeakPolarHBondContact O-CA 3.29Å; P31-K34 PolarHBondContact O-N 3.1Å; P31-S35 PolarHBondContact O-N 3.13Å |
| 32 | K | 92.8 | Very high | 93.2 | Very high | 131 Ų | 131 | 76.6 Ų | 76.6 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.8 | -170.2 | -179.1 | 176.3 | -178 | -179.7 | 0 | 114.2 | V18 G19 I21 K34 S35 | V18-K32 HydrophobicContact CG1-CB 3.87Å; G19-K32 PolarHBondContact O-N 2.74Å; G19-K32 VanDerWaalsContact O-N 3.13Å; I21-K32 HydrophobicContact CD1-CB 3.62Å; I21-K32 HydrophobicContact CD1-CD 3.95Å; I21-K32 HydrophobicContact CD1-CG 3.54Å; I21-K32 HydrophobicContact CG1-CB 4.12Å; K32-K34 VanDerWaalsContact C-N 3.34Å; K32-S35 PolarHBondContact O-OG 2.9Å |
| 33 | D | 93 | Very high | 93 | Very high | 24 Ų | 24 | 70.4 Ų | 70.4 | 13% | 0.128 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -13.4 | 178.4 | 63 | -49.4 | 0 | 0 | 0 | 114.1 | R10 S11 K12 V18 P31 | R10-D33 VanDerWaalsContact CB-OD2 3.32Å; R10-D33 WeakPolarHBondContact CB-OD2 3.31Å; R10-D33 WeakPolarHBondContact CD-OD2 3.21Å; R10-D33 WeakPolarHBondContact CG-OD2 3.36Å; R10-D33 IonicContact CZ-OD2 3.85Å; R10-D33 IonicContact NE-OD2 3.82Å; R10-D33 IonicContact NH1-OD1 3.02Å; R10-D33 PolarHBondContact NH1-OD1 2.8Å; R10-D33 IonicContact NH1-OD2 3.05Å; R10-D33 PolarHBondContact NH1-OD2 3.39Å; S11-D33 PolarHBondContact N-O 3.01Å; K12-D33 WeakPolarHBondContact CB-OD2 3.45Å; V18-D33 HydrophobicContact CG1-CB 4.43Å; V18-D33 HydrophobicContact CG2-CB 4.35Å; P31-D33 VanDerWaalsContact CB-OD1 3.31Å; P31-D33 WeakPolarHBondContact CB-OD1 3.34Å; P31-D33 PolarHBondContact O-N 2.77Å; P31-D33 VanDerWaalsContact O-N 3.07Å |
| 34 | K | 93 | Very high | 92.7 | Very high | 89 Ų | 89 | 74.9 Ų | 74.9 | 39% | 0.387 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -23.4 | 176.5 | -164.6 | 169.6 | 177 | -179.6 | 0 | 112.3 | R10 P31 K32 I76 | R10-K34 HydrophobicContact CG-CB 3.71Å; R10-K34 HydrophobicContact CG-CD 4.15Å; R10-K34 HydrophobicContact CG-CG 4Å; P31-K34 HydrophobicContact CG-CB 3.96Å; P31-K34 WeakPolarHBondContact O-CA 3.29Å; P31-K34 PolarHBondContact O-N 3.1Å; K32-K34 VanDerWaalsContact C-N 3.34Å; K34-I76 HydrophobicContact CD-CD1 4.18Å; K34-I76 HydrophobicContact CG-CD1 3.84Å; K34-I76 HydrophobicContact CG-CG1 4.4Å |
| 35 | S | 93.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 73 Ų | 73 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -65.7 | 145.7 | -179.6 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | P31 K32 Q73 Y74 | P31-S35 PolarHBondContact O-N 3.13Å; K32-S35 PolarHBondContact O-OG 2.9Å; S35-Q73 PolarHBondContact OG-OE1 2.84Å; S35-Y74 WeakPolarHBondContact CA-O 3.4Å |
| 36 | V | 93.4 | Very high | 92.4 | Very high | 30 Ų | 30 | 74.8 Ų | 74.8 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 108.3 | 175.9 | -177.9 | 0 | 0 | 0 | 0 | 106.1 | Y74 A79 V84 L85 | V36-Y74 PolarHBondContact N-O 3Å; V36-Y74 PolarHBondContact O-N 3.24Å; V36-A79 HydrophobicContact CB-CB 4.16Å; V36-A79 HydrophobicContact CG1-CB 4.44Å; V36-A79 HydrophobicContact CG2-CB 4.01Å; V36-V84 HydrophobicContact CG1-CG1 4.27Å; V36-L85 HydrophobicContact CB-CD1 3.94Å; V36-L85 HydrophobicContact CG1-CD1 3.5Å; V36-L85 VanDerWaalsContact CG1-CD1 3.5Å; V36-L85 HydrophobicContact CG2-CD1 3.23Å |
| 37 | W | 91.5 | Very high | 92.1 | Very high | 154 Ų | 154 | 75.7 Ų | 75.7 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 141.2 | 175.8 | 72.2 | -84.6 | 0 | 0 | 0 | 110.2 | L39 K71 L72 | W37-L39 HydrophobicContact CE3-CB 4.43Å; W37-L39 HydrophobicContact CZ3-CB 3.95Å; W37-K71 HydrophobicContact CB-CG 4.49Å; W37-K71 HydrophobicContact CE3-CG 4.36Å; W37-L72 CarbonylContact C-O 3.51Å; W37-L72 VanDerWaalsContact CA-O 3.22Å; W37-L72 WeakPolarHBondContact CA-O 3.46Å |
| 38 | K | 91.6 | Very high | 92 | Very high | 100 Ų | 100 | 77 Ų | 77 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 119.1 | 171.1 | -176.6 | 176.5 | -178 | -177.6 | 0 | 107.6 | V40 L72 Y74 | K38-V40 HydrophobicContact CD-CG2 4.28Å; K38-V40 HydrophobicContact CG-CG2 4.12Å; K38-V40 PolarHBondContact O-N 3Å; K38-L72 PolarHBondContact N-O 3.42Å; K38-L72 PolarHBondContact O-N 3.29Å; K38-Y74 HydrophobicContact CB-CE2 4.33Å |
| 39 | L | 91.5 | Very high | 91.8 | Very high | 91 Ų | 91 | 71.2 Ų | 71.2 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 121.7 | 167.6 | -175.3 | 67.7 | 0 | 0 | 0 | 107.9 | W37 | W37-L39 HydrophobicContact CE3-CB 4.43Å; W37-L39 HydrophobicContact CZ3-CB 3.95Å |
| 40 | V | 92.2 | Very high | 91.5 | Very high | 21 Ų | 21 | 70.9 Ų | 70.9 | 13% | 0.127 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 107.5 | 173.5 | 177.1 | 0 | 0 | 0 | 0 | 106.6 | K38 R42 V70 L72 | K38-V40 HydrophobicContact CD-CG2 4.28Å; K38-V40 HydrophobicContact CG-CG2 4.12Å; K38-V40 PolarHBondContact O-N 3Å; V40-R42 HydrophobicContact CG1-CG 3.64Å; V40-R42 VanDerWaalsContact CG1-NE 3.34Å; V40-V70 PolarHBondContact N-O 3.07Å; V40-V70 PolarHBondContact O-N 3.02Å; V40-L72 HydrophobicContact CB-CD1 4.33Å; V40-L72 HydrophobicContact CG2-CD1 3.51Å; V40-L72 HydrophobicContact CG2-CG 4.15Å |
| 41 | T | 92.5 | Very high | 91.2 | Very high | 71 Ų | 71 | 76.1 Ų | 76.1 | 44% | 0.436 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115.4 | 167.5 | -54 | 0 | 0 | 0 | 0 | 107.3 | K67 L68 Y69 | T41-K67 HydrophobicContact CG2-CB 4.26Å; T41-K67 HydrophobicContact CG2-CD 4.17Å; T41-L68 WeakPolarHBondContact CA-O 3.32Å; T41-Y69 HydrophobicContact CG2-CD1 3.96Å; T41-Y69 HydrophobicContact CG2-CE1 3.56Å |
| 42 | R | 91.4 | Very high | 91.1 | Very high | 172 Ų | 172 | 80.8 Ų | 80.8 | 65% | 0.649 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 144.3 | 176.5 | -72.8 | 177 | -179.1 | -168.1 | -0.8 | 108.4 | V40 K67 L68 | V40-R42 HydrophobicContact CG1-CG 3.64Å; V40-R42 VanDerWaalsContact CG1-NE 3.34Å; R42-K67 CarbonylContact O-C 3.53Å; R42-K67 WeakPolarHBondContact O-CA 3.16Å; R42-L68 PolarHBondContact N-O 3.05Å; R42-L68 VanDerWaalsContact N-O 3.09Å; R42-L68 PolarHBondContact O-N 2.58Å |
| 43 | S | 91.1 | Very high | 90.8 | Very high | 60 Ų | 60 | 77.7 Ų | 77.7 | 42% | 0.42 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 149.8 | 162 | 43.5 | 0 | 0 | 0 | 0 | 108.8 | V45 | S43-V45 WeakPolarHBondContact CB-O 3.48Å; S43-V45 PolarHBondContact O-N 3.09Å; S43-V45 PolarHBondContact OG-O 3.33Å |
| 44 | M | 90.1 | Very high | 90.6 | Very high | 99 Ų | 99 | 79.6 Ų | 79.6 | 49% | 0.488 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -62.5 | -28.7 | 172.1 | -74.4 | -170.1 | -52.5 | 0 | 0 | 112 | P66 L68 | M44-P66 HydrophobicContact CE-CB 3.38Å; M44-P66 HydrophobicContact CE-CG 3.26Å; M44-P66 PolarHBondContact N-O 2.7Å; M44-P66 VanDerWaalsContact N-O 3.13Å; M44-P66 HydrophobicContact SD-CB 4.31Å; M44-L68 HydrophobicContact CG-CD1 4.12Å; M44-L68 HydrophobicContact CG-CD2 3.88Å; M44-L68 HydrophobicContact CG-CG 3.63Å; M44-L68 HydrophobicContact SD-CD2 4.19Å |
| 45 | V | 90.6 | Very high | 90.3 | Very high | 32 Ų | 32 | 80.9 Ų | 80.9 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -105.7 | 143.4 | -178 | -173.8 | 0 | 0 | 0 | 0 | 110.4 | S43 A49 L53 V65 | S43-V45 WeakPolarHBondContact CB-O 3.48Å; S43-V45 PolarHBondContact O-N 3.09Å; S43-V45 PolarHBondContact OG-O 3.33Å; V45-A49 HydrophobicContact CG1-CB 3.6Å; V45-L53 HydrophobicContact CG2-CD2 4Å; V45-V65 HydrophobicContact CB-CG1 4.22Å; V45-V65 HydrophobicContact CG2-CG1 3.84Å |
| 46 | E | 90.2 | Very high | 90.1 | Very high | 140 Ų | 140 | 84.4 Ų | 84.4 | 65% | 0.654 | 46% | 0.458 | S | S | * | . | trans | -66 | 148.5 | 172 | 178.3 | -173.2 | 143 | 0 | 0 | 111 | A48 A49 V50 | E46-A48 PolarHBondContact O-N 3.2Å; E46-A48 VanDerWaalsContact O-N 3.13Å; E46-A48 WeakPolarHBondContact OE1-CB 3.15Å; E46-A49 PolarHBondContact O-N 2.99Å; E46-A49 VanDerWaalsContact O-N 3.1Å; E46-V50 WeakPolarHBondContact O-CG2 3.22Å; E46-V50 PolarHBondContact O-N 3.47Å | ||
| 47 | A | 88.3 | Confident | 89.8 | Confident | 89 Ų | 89 | 84.6 Ų | 84.6 | 74% | 0.736 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 48 | A | 90.3 | Very high | 89.6 | Confident | 67 Ų | 67 | 84.1 Ų | 84.1 | 55% | 0.554 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | E46 V50 | E46-A48 PolarHBondContact O-N 3.2Å; E46-A48 VanDerWaalsContact O-N 3.13Å; E46-A48 WeakPolarHBondContact OE1-CB 3.15Å; A48-V50 PolarHBondContact O-N 2.97Å |
| 49 | A | 90 | Very high | 89.3 | Confident | 38 Ų | 38 | 87.7 Ų | 87.7 | 31% | 0.314 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -76.7 | -5.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V45 E46 K51 D52 L53 | V45-A49 HydrophobicContact CG1-CB 3.6Å; E46-A49 PolarHBondContact O-N 2.99Å; E46-A49 VanDerWaalsContact O-N 3.1Å; A49-K51 VanDerWaalsContact C-N 3.27Å; A49-K51 PolarHBondContact O-N 2.98Å; A49-D52 PolarHBondContact O-N 3.29Å; A49-L53 VanDerWaalsContact O-CB 3.32Å; A49-L53 WeakPolarHBondContact O-CB 3.19Å; A49-L53 PolarHBondContact O-N 3.42Å |
| 50 | V | 88.5 | Confident | 88.6 | Confident | 45 Ų | 45 | 84.6 Ų | 84.6 | 27% | 0.273 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 177 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | E46 A48 L53 E54 | E46-V50 WeakPolarHBondContact O-CG2 3.22Å; E46-V50 PolarHBondContact O-N 3.47Å; A48-V50 PolarHBondContact O-N 2.97Å; V50-L53 PolarHBondContact O-N 2.91Å; V50-E54 WeakPolarHBondContact CG1-OE1 3.49Å; V50-E54 WeakPolarHBondContact O-CG 3.34Å; V50-E54 PolarHBondContact O-N 2.99Å |
| 51 | K | 86.7 | Confident | 87.9 | Confident | 122 Ų | 122 | 91.5 Ų | 91.5 | 53% | 0.53 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.8 | -47.1 | -178.4 | -178.4 | 170.5 | 176.1 | 171.4 | 0 | 112 | A49 L53 E54 D55 | A49-K51 VanDerWaalsContact C-N 3.27Å; A49-K51 PolarHBondContact O-N 2.98Å; K51-L53 PolarHBondContact O-N 3.13Å; K51-E54 PolarHBondContact O-N 2.87Å; K51-E54 VanDerWaalsContact O-N 3.16Å; K51-D55 PolarHBondContact O-N 3.18Å |
| 52 | D | 90.6 | Very high | 87.4 | Confident | 108 Ų | 108 | 95.4 Ų | 95.4 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -35 | -179.9 | -53.3 | -43.8 | 0 | 0 | 0 | 111.3 | A49 A56 | A49-D52 PolarHBondContact O-N 3.29Å; D52-A56 WeakPolarHBondContact O-CB 3.4Å; D52-A56 PolarHBondContact O-N 2.72Å |
| 53 | L | 87.5 | Confident | 87 | Confident | 66 Ų | 66 | 92.8 Ų | 92.8 | 35% | 0.346 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 174.9 | -165.6 | 87.1 | 0 | 0 | 0 | 112.1 | V45 A49 V50 K51 S57 V65 | V45-L53 HydrophobicContact CG2-CD2 4Å; A49-L53 VanDerWaalsContact O-CB 3.32Å; A49-L53 WeakPolarHBondContact O-CB 3.19Å; A49-L53 PolarHBondContact O-N 3.42Å; V50-L53 PolarHBondContact O-N 2.91Å; K51-L53 PolarHBondContact O-N 3.13Å; L53-S57 WeakPolarHBondContact O-CB 3.42Å; L53-S57 PolarHBondContact O-N 2.89Å; L53-S57 PolarHBondContact O-OG 3.25Å; L53-V65 HydrophobicContact CD2-CG2 3.75Å |
| 54 | E | 87.4 | Confident | 86.7 | Confident | 64 Ų | 64 | 93.9 Ų | 93.9 | 30% | 0.299 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 176.8 | -76.3 | 173.3 | -167.2 | 0 | 0 | 110.9 | V50 K51 S57 | V50-E54 WeakPolarHBondContact CG1-OE1 3.49Å; V50-E54 WeakPolarHBondContact O-CG 3.34Å; V50-E54 PolarHBondContact O-N 2.99Å; K51-E54 PolarHBondContact O-N 2.87Å; K51-E54 VanDerWaalsContact O-N 3.16Å; E54-S57 PolarHBondContact O-N 3.46Å; E54-S57 PolarHBondContact O-OG 2.99Å; E54-S57 VanDerWaalsContact O-OG 3.06Å |
| 55 | D | 87.7 | Confident | 86.5 | Confident | 116 Ų | 116 | 91.1 Ų | 91.1 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.8 | -34.5 | -178.6 | -67.9 | -21.3 | 0 | 0 | 0 | 112.4 | K51 | K51-D55 PolarHBondContact O-N 3.18Å |
| 56 | A | 89.5 | Confident | 86.5 | Confident | 88 Ų | 88 | 92.1 Ų | 92.1 | 73% | 0.727 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -88 | -9.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D52 | D52-A56 WeakPolarHBondContact O-CB 3.4Å; D52-A56 PolarHBondContact O-N 2.72Å |
| 57 | S | 86.2 | Confident | 86.7 | Confident | 34 Ų | 34 | 91.4 Ų | 91.4 | 24% | 0.238 | 52% | 0.517 | C | S | . | . | trans | -86.6 | 140.5 | -176.3 | 69.2 | 0 | 0 | 0 | 0 | 112.8 | L53 E54 Y59 G60 | L53-S57 WeakPolarHBondContact O-CB 3.42Å; L53-S57 PolarHBondContact O-N 2.89Å; L53-S57 PolarHBondContact O-OG 3.25Å; E54-S57 PolarHBondContact O-N 3.46Å; E54-S57 PolarHBondContact O-OG 2.99Å; E54-S57 VanDerWaalsContact O-OG 3.06Å; S57-Y59 PolarHBondContact O-N 2.9Å; S57-G60 PolarHBondContact O-N 3.3Å; S57-G60 WeakPolarHBondContact OG-CA 2.86Å; S57-G60 PolarHBondContact OG-N 3.37Å; S57-G60 PolarHBondContact OG-O 2.94Å | ||
| 58 | V | 88.5 | Confident | 86.9 | Confident | 143 Ų | 143 | 91.4 Ų | 91.4 | 87% | 0.867 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -32.7 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 112 | G60 | V58-G60 VanDerWaalsContact C-N 3.32Š|
| 59 | Y | 83.9 | Confident | 87.2 | Confident | 176 Ų | 176 | 95.5 Ų | 95.5 | 69% | 0.69 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 1.4 | 179.2 | -58.4 | -65.8 | 0 | 0 | 0 | 113.4 | S57 N62 Y63 | S57-Y59 PolarHBondContact O-N 2.9Å; Y59-N62 PolarHBondContact O-N 3.37Å; Y59-N62 VanDerWaalsContact O-N 3.15Å; Y59-Y63 HydrophobicContact CD2-CD2 4.35Å |
| 60 | G | 77.7 | Confident | 87.4 | Confident | 25 Ų | 25 | 97 Ų | 97 | 26% | 0.258 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | 49.6 | -138.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S57 V58 N62 Y63 | S57-G60 PolarHBondContact O-N 3.3Å; S57-G60 WeakPolarHBondContact OG-CA 2.86Å; S57-G60 PolarHBondContact OG-N 3.37Å; S57-G60 PolarHBondContact OG-O 2.94Å; V58-G60 VanDerWaalsContact C-N 3.32Å; G60-N62 PolarHBondContact O-N 3.38Å; G60-N62 VanDerWaalsContact O-N 3.1Å; G60-Y63 PolarHBondContact O-N 2.86Å |
| 61 | K | 76.4 | Confident | 87.7 | Confident | 167 Ų | 167 | 100.4 Ų | 100.4 | 73% | 0.726 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -63.8 | -12 | 178.8 | -71.5 | -178 | 179.1 | 173.5 | 0 | 115.2 | Y63 | K61-Y63 VanDerWaalsContact C-N 3.3Å; K61-Y63 PolarHBondContact O-N 3.31Å |
| 62 | N | 81.8 | Confident | 88 | Confident | 153 Ų | 153 | 96.5 Ų | 96.5 | 82% | 0.818 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -82.3 | -8 | -177.6 | -79.9 | 24.1 | 0 | 0 | 0 | 113.2 | Y59 G60 A64 | Y59-N62 PolarHBondContact O-N 3.37Å; Y59-N62 VanDerWaalsContact O-N 3.15Å; G60-N62 PolarHBondContact O-N 3.38Å; G60-N62 VanDerWaalsContact O-N 3.1Å; N62-A64 PolarHBondContact O-N 3.23Å |
| 63 | Y | 83.4 | Confident | 88.2 | Confident | 116 Ų | 116 | 92.2 Ų | 92.2 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | trans | -78.9 | 108.1 | 177.3 | -170.6 | -110.4 | 0 | 0 | 0 | 111.9 | Y59 G60 K61 V65 | Y59-Y63 HydrophobicContact CD2-CD2 4.35Å; G60-Y63 PolarHBondContact O-N 2.86Å; K61-Y63 VanDerWaalsContact C-N 3.3Å; K61-Y63 PolarHBondContact O-N 3.31Å; Y63-V65 HydrophobicContact CD1-CG2 4.45Å; Y63-V65 PolarHBondContact O-N 3.34Å; Y63-V65 VanDerWaalsContact O-N 3.09Å | ||
| 64 | A | 84.8 | Confident | 88.6 | Confident | 84 Ų | 84 | 90.3 Ų | 90.3 | 69% | 0.694 | 47% | 0.472 | S | S | * | . | trans | -72.7 | 102.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N62 P66 | N62-A64 PolarHBondContact O-N 3.23Å; A64-P66 WeakPolarHBondContact O-CD 3.44Å | ||
| 65 | V | 86.3 | Confident | 89 | Confident | 40 Ų | 40 | 87.5 Ų | 87.5 | 24% | 0.242 | 46% | 0.46 | C | S | . | . | trans | -58.7 | 119.5 | 178.3 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | V45 L53 Y63 | V45-V65 HydrophobicContact CB-CG1 4.22Å; V45-V65 HydrophobicContact CG2-CG1 3.84Å; L53-V65 HydrophobicContact CD2-CG2 3.75Å; Y63-V65 HydrophobicContact CD1-CG2 4.45Å; Y63-V65 PolarHBondContact O-N 3.34Å; Y63-V65 VanDerWaalsContact O-N 3.09Å | ||
| 66 | P | 90.9 | Very high | 89.3 | Confident | 54 Ų | 54 | 85.2 Ų | 85.2 | 35% | 0.351 | 45% | 0.447 | S | S | . | . | trans | -66.3 | 158.5 | -178.6 | -15.6 | 24.8 | 0 | 0 | 0 | 113.1 | M44 A64 | M44-P66 HydrophobicContact CE-CB 3.38Å; M44-P66 HydrophobicContact CE-CG 3.26Å; M44-P66 PolarHBondContact N-O 2.7Å; M44-P66 VanDerWaalsContact N-O 3.13Å; M44-P66 HydrophobicContact SD-CB 4.31Å; A64-P66 WeakPolarHBondContact O-CD 3.44Å | ||
| 67 | K | 93.4 | Very high | 89.5 | Confident | 124 Ų | 124 | 84.7 Ų | 84.7 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136.7 | -179.3 | -66.7 | 173.2 | -175.8 | 167.5 | 0 | 110.7 | T41 R42 Y69 | T41-K67 HydrophobicContact CG2-CB 4.26Å; T41-K67 HydrophobicContact CG2-CD 4.17Å; R42-K67 CarbonylContact O-C 3.53Å; R42-K67 WeakPolarHBondContact O-CA 3.16Å; K67-Y69 HydrophobicContact CB-CD2 4.48Å; K67-Y69 HydrophobicContact CB-CE2 3.74Å; K67-Y69 VanDerWaalsContact O-CD2 3.29Å; K67-Y69 WeakPolarHBondContact O-CD2 3.12Å; K67-Y69 WeakPolarHBondContact O-CE2 3.31Å |
| 68 | L | 93.9 | Very high | 90 | Very high | 89 Ų | 89 | 84 Ų | 84 | 47% | 0.466 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.2 | 168.9 | -63.3 | 173.3 | 0 | 0 | 0 | 109.8 | T41 R42 M44 | T41-L68 WeakPolarHBondContact CA-O 3.32Å; R42-L68 PolarHBondContact N-O 3.05Å; R42-L68 VanDerWaalsContact N-O 3.09Å; R42-L68 PolarHBondContact O-N 2.58Å; M44-L68 HydrophobicContact CG-CD1 4.12Å; M44-L68 HydrophobicContact CG-CD2 3.88Å; M44-L68 HydrophobicContact CG-CG 3.63Å; M44-L68 HydrophobicContact SD-CD2 4.19Å |
| 69 | Y | 95.8 | Very high | 90.3 | Very high | 153 Ų | 153 | 77.2 Ų | 77.2 | 60% | 0.6 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 105.1 | 175.2 | -63.7 | -89.7 | 0 | 0 | 0 | 109.1 | T41 K67 | T41-Y69 HydrophobicContact CG2-CD1 3.96Å; T41-Y69 HydrophobicContact CG2-CE1 3.56Å; K67-Y69 HydrophobicContact CB-CD2 4.48Å; K67-Y69 HydrophobicContact CB-CE2 3.74Å; K67-Y69 VanDerWaalsContact O-CD2 3.29Å; K67-Y69 WeakPolarHBondContact O-CD2 3.12Å; K67-Y69 WeakPolarHBondContact O-CE2 3.31Å |
| 70 | V | 94.5 | Very high | 90.8 | Very high | 70 Ų | 70 | 72.9 Ų | 72.9 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.4 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | V40 L72 | V40-V70 PolarHBondContact N-O 3.07Å; V40-V70 PolarHBondContact O-N 3.02Å; V70-L72 HydrophobicContact CG1-CD2 3.61Å; V70-L72 HydrophobicContact CG1-CG 4.1Å; V70-L72 PolarHBondContact O-N 3.11Å |
| 71 | K | 94.2 | Very high | 91.7 | Very high | 116 Ų | 116 | 79.7 Ų | 79.7 | 50% | 0.504 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 91.1 | 172.3 | -171 | 176.1 | -172.5 | 169.9 | 0 | 109.8 | W37 | W37-K71 HydrophobicContact CB-CG 4.49Å; W37-K71 HydrophobicContact CE3-CG 4.36Å |
| 72 | L | 94.1 | Very high | 92.4 | Very high | 40 Ų | 40 | 74 Ų | 74 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 139 | 176.9 | -60.4 | 176.2 | 0 | 0 | 0 | 110.3 | T24 W37 K38 V40 V70 Y74 | T24-L72 HydrophobicContact CG2-CD2 4.07Å; W37-L72 CarbonylContact C-O 3.51Å; W37-L72 VanDerWaalsContact CA-O 3.22Å; W37-L72 WeakPolarHBondContact CA-O 3.46Å; K38-L72 PolarHBondContact N-O 3.42Å; K38-L72 PolarHBondContact O-N 3.29Å; V40-L72 HydrophobicContact CB-CD1 4.33Å; V40-L72 HydrophobicContact CG2-CD1 3.51Å; V40-L72 HydrophobicContact CG2-CG 4.15Å; V70-L72 HydrophobicContact CG1-CD2 3.61Å; V70-L72 HydrophobicContact CG1-CG 4.1Å; V70-L72 PolarHBondContact O-N 3.11Å; L72-Y74 HydrophobicContact CB-CE2 3.77Å; L72-Y74 HydrophobicContact CD1-CE2 4.44Å; L72-Y74 WeakPolarHBondContact CD1-OH 3.32Å |
| 73 | Q | 95.1 | Very high | 92.9 | Very high | 19 Ų | 19 | 74 Ų | 74 | 9% | 0.089 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 116 | -178.9 | -68.8 | -76.1 | -0.7 | 0 | 0 | 109.1 | I21 C23 T24 S35 | I21-Q73 HydrophobicContact CG2-CB 3.88Å; I21-Q73 HydrophobicContact CG2-CG 3.97Å; C23-Q73 WeakPolarHBondContact CA-O 3.34Å; T24-Q73 PolarHBondContact N-O 2.96Å; T24-Q73 PolarHBondContact OG1-O 2.95Å; S35-Q73 PolarHBondContact OG-OE1 2.84Å |
| 74 | Y | 95.9 | Very high | 93.2 | Very high | 26 Ų | 26 | 71.1 Ų | 71.1 | 10% | 0.102 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 147.2 | -177.3 | -60.4 | -75.4 | 0 | 0 | 0 | 112.2 | N25 S35 V36 K38 L72 C78 | N25-Y74 WeakPolarHBondContact OD1-CE1 3.35Å; S35-Y74 WeakPolarHBondContact CA-O 3.4Å; V36-Y74 PolarHBondContact N-O 3Å; V36-Y74 PolarHBondContact O-N 3.24Å; K38-Y74 HydrophobicContact CB-CE2 4.33Å; L72-Y74 HydrophobicContact CB-CE2 3.77Å; L72-Y74 HydrophobicContact CD1-CE2 4.44Å; L72-Y74 WeakPolarHBondContact CD1-OH 3.32Å; Y74-C78 HydrophobicContact CD1-CB 4.33Å |
| 75 | C | 95.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | trans | -72.1 | 160.2 | 158.6 | 75.8 | 0 | 0 | 0 | 0 | 110.2 | C23 C30 S77 C78 A79 | C23-C75 HydrophobicContact CB-CB 4.1Å; C23-C75 PolarHBondContact SG-N 3.4Å; C30-C75 WeakPolarHBondContact SG-CB 3.37Å; C75-S77 VanDerWaalsContact C-N 3.26Å; C75-S77 PolarHBondContact O-N 3.15Å; C75-C78 PolarHBondContact O-N 2.99Å; C75-C78 VanDerWaalsContact SG-CB 3.59Å; C75-C78 PolarHBondContact SG-N 3.32Å; C75-C78 PolarHBondContact SG-SG 2.94Å; C75-A79 WeakPolarHBondContact O-CB 3.37Å; C75-A79 PolarHBondContact O-N 3.08Å | ||
| 76 | I | 93.7 | Very high | 93.7 | Very high | 68 Ų | 68 | 75.7 Ų | 75.7 | 35% | 0.349 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -37.9 | -177.9 | -61.1 | -177.7 | 0 | 0 | 0 | 111.3 | K34 A79 I80 | K34-I76 HydrophobicContact CD-CD1 4.18Å; K34-I76 HydrophobicContact CG-CD1 3.84Å; K34-I76 HydrophobicContact CG-CG1 4.4Å; I76-A79 PolarHBondContact O-N 2.99Å; I76-I80 HydrophobicContact CG2-CD1 3.87Å; I76-I80 WeakPolarHBondContact O-CG1 3.44Å; I76-I80 PolarHBondContact O-N 3.48Å; I76-I80 VanDerWaalsContact O-N 3.11Å |
| 77 | S | 94.7 | Very high | 93.7 | Very high | 76 Ų | 76 | 79.6 Ų | 79.6 | 53% | 0.531 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.1 | -50.8 | 179.6 | -48.9 | 0 | 0 | 0 | 0 | 111.7 | C75 A79 I80 H81 | C75-S77 VanDerWaalsContact C-N 3.26Å; C75-S77 PolarHBondContact O-N 3.15Å; S77-A79 VanDerWaalsContact C-N 3.31Å; S77-A79 PolarHBondContact O-N 3.4Å; S77-I80 PolarHBondContact O-N 2.99Å; S77-H81 PolarHBondContact O-N 3.06Å |
| 78 | C | 95.9 | Very high | 93.6 | Very high | 21 Ų | 21 | 77.1 Ų | 77.1 | 14% | 0.142 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 177 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | C26 Y74 C75 I80 H81 S82 | C26-C78 PolarHBondContact SG-SG 3.48Å; Y74-C78 HydrophobicContact CD1-CB 4.33Å; C75-C78 PolarHBondContact O-N 2.99Å; C75-C78 VanDerWaalsContact SG-CB 3.59Å; C75-C78 PolarHBondContact SG-N 3.32Å; C75-C78 PolarHBondContact SG-SG 2.94Å; C78-I80 VanDerWaalsContact C-N 3.28Å; C78-I80 PolarHBondContact O-N 3.08Å; C78-H81 PolarHBondContact O-N 3.32Å; C78-S82 WeakPolarHBondContact O-CB 3.46Å; C78-S82 PolarHBondContact O-N 3.05Å; C78-S82 PolarHBondContact O-OG 2.89Å |
| 79 | A | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.1 | -30 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V36 C75 I76 S77 V84 L85 | V36-A79 HydrophobicContact CB-CB 4.16Å; V36-A79 HydrophobicContact CG1-CB 4.44Å; V36-A79 HydrophobicContact CG2-CB 4.01Å; C75-A79 WeakPolarHBondContact O-CB 3.37Å; C75-A79 PolarHBondContact O-N 3.08Å; I76-A79 PolarHBondContact O-N 2.99Å; S77-A79 VanDerWaalsContact C-N 3.31Å; S77-A79 PolarHBondContact O-N 3.4Å; A79-V84 PolarHBondContact O-N 3.06Å; A79-L85 HydrophobicContact CB-CD1 3.94Å; A79-L85 PolarHBondContact O-N 3.11Å |
| 80 | I | 95.4 | Very high | 93.1 | Very high | 85 Ų | 85 | 78.6 Ų | 78.6 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -77.1 | -44.6 | 173.8 | -66.7 | 167.6 | 0 | 0 | 0 | 110.1 | I76 S77 C78 S82 K83 | I76-I80 HydrophobicContact CG2-CD1 3.87Å; I76-I80 WeakPolarHBondContact O-CG1 3.44Å; I76-I80 PolarHBondContact O-N 3.48Å; I76-I80 VanDerWaalsContact O-N 3.11Å; S77-I80 PolarHBondContact O-N 2.99Å; C78-I80 VanDerWaalsContact C-N 3.28Å; C78-I80 PolarHBondContact O-N 3.08Å; I80-S82 PolarHBondContact O-N 2.91Å; I80-K83 PolarHBondContact O-N 2.98Å |
| 81 | H | 95.2 | Very high | 92.9 | Very high | 167 Ų | 167 | 82.9 Ų | 82.9 | 77% | 0.773 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.3 | -44.5 | 179.1 | -176 | 76.8 | 0 | 0 | 0 | 112.2 | S77 C78 K83 | S77-H81 PolarHBondContact O-N 3.06Å; C78-H81 PolarHBondContact O-N 3.32Å; H81-K83 PolarHBondContact O-N 2.89Å; H81-K83 VanDerWaalsContact O-N 3.15Å |
| 82 | S | 91.9 | Very high | 92.7 | Very high | 49 Ų | 49 | 78.7 Ų | 78.7 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 6.3 | 176.3 | 67.9 | 0 | 0 | 0 | 0 | 114 | C78 I80 V84 | C78-S82 WeakPolarHBondContact O-CB 3.46Å; C78-S82 PolarHBondContact O-N 3.05Å; C78-S82 PolarHBondContact O-OG 2.89Å; I80-S82 PolarHBondContact O-N 2.91Å; S82-V84 PolarHBondContact O-N 2.83Å; S82-V84 VanDerWaalsContact O-N 3.08Å; S82-V84 WeakPolarHBondContact OG-CG2 3.26Å |
| 83 | K | 91.4 | Very high | 92.4 | Very high | 153 Ų | 153 | 80.1 Ų | 80.1 | 67% | 0.665 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 19.7 | 179.2 | -56.1 | 170.1 | -176.6 | 174.3 | 0 | 113.8 | I80 H81 | I80-K83 PolarHBondContact O-N 2.98Å; H81-K83 PolarHBondContact O-N 2.89Å; H81-K83 VanDerWaalsContact O-N 3.15Å |
| 84 | V | 90.2 | Very high | 92 | Very high | 54 Ų | 54 | 88.9 Ų | 88.9 | 33% | 0.327 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -68.3 | -41.4 | 172.7 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | V36 A79 S82 | V36-V84 HydrophobicContact CG1-CG1 4.27Å; A79-V84 PolarHBondContact O-N 3.06Å; S82-V84 PolarHBondContact O-N 2.83Å; S82-V84 VanDerWaalsContact O-N 3.08Å; S82-V84 WeakPolarHBondContact OG-CG2 3.26Å |
| 85 | L | 90.4 | Very high | 91.7 | Very high | 61 Ų | 61 | 92.8 Ų | 92.8 | 32% | 0.319 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -113.6 | 148.5 | 169.7 | -86.5 | 141 | 0 | 0 | 0 | 110.1 | V36 A79 | V36-L85 HydrophobicContact CB-CD1 3.94Å; V36-L85 HydrophobicContact CG1-CD1 3.5Å; V36-L85 VanDerWaalsContact CG1-CD1 3.5Å; V36-L85 HydrophobicContact CG2-CD1 3.23Å; A79-L85 HydrophobicContact CB-CD1 3.94Å; A79-L85 PolarHBondContact O-N 3.11Å |
| 86 | R | 91.2 | Very high | 91.1 | Very high | 159 Ų | 159 | 102.1 Ų | 102.1 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | trans | -127.9 | 155.8 | 176.2 | -67.1 | 176.4 | 177.9 | 160.1 | -3.1 | 110.2 | R88 | R86-R88 PolarHBondContact O-N 2.86Š| ||
| 87 | N | 91 | Very high | 90.7 | Very high | 137 Ų | 137 | 109.4 Ų | 109.4 | 73% | 0.733 | 50% | 0.501 | S | S | * | . | trans | -63.4 | 136.4 | 171 | -96.5 | -6.5 | 0 | 0 | 0 | 109.8 | ||||
| 88 | R | 90.4 | Very high | 89.9 | Confident | 72 Ų | 72 | 113.1 Ų | 113.1 | 27% | 0.272 | 51% | 0.514 | S | S | . | . | trans | -122.8 | 152.3 | -177.1 | -81.1 | -168.1 | -74.4 | 164.9 | -9.5 | 110 | R86 S92 R93 L95 | R86-R88 PolarHBondContact O-N 2.86Å; R88-S92 WeakPolarHBondContact CB-OG 3.44Å; R88-S92 PolarHBondContact NH1-O 3.22Å; R88-R93 HydrophobicContact CB-CG 4Å; R88-R93 PolarHBondContact O-NE 2.96Å; R88-R93 PolarHBondContact O-NH2 3.24Å; R88-R93 VanDerWaalsContact O-NH2 3.16Å; R88-L95 PolarHBondContact NH1-O 2.76Å | ||
| 89 | S | 91.3 | Very high | 88.7 | Confident | 71 Ų | 71 | 118.3 Ų | 118.3 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | trans | -58.5 | 162 | 172.7 | 70.4 | 0 | 0 | 0 | 0 | 111.8 | E91 S92 R93 | S89-E91 VanDerWaalsContact C-N 3.25Å; S89-E91 PolarHBondContact O-N 3.09Å; S89-S92 PolarHBondContact N-OG 2.73Å; S89-S92 PolarHBondContact O-N 3.37Å; S89-S92 PolarHBondContact O-OG 2.99Å; S89-S92 WeakPolarHBondContact OG-CB 3.41Å; S89-S92 PolarHBondContact OG-N 2.91Å; S89-S92 PolarHBondContact OG-OG 2.91Å; S89-R93 VanDerWaalsContact O-CG 3.23Å; S89-R93 WeakPolarHBondContact O-CG 3.4Å; S89-R93 PolarHBondContact O-N 2.84Å; S89-R93 VanDerWaalsContact O-N 3.08Å | ||
| 90 | R | 89.5 | Confident | 87.5 | Confident | 202 Ų | 202 | 123.7 Ų | 123.7 | 76% | 0.762 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -41.9 | -175.8 | -175.5 | 178.5 | 178.9 | -178.9 | -2 | 112 | ||
| 91 | E | 89.4 | Confident | 85.9 | Confident | 159 Ų | 159 | 127.1 Ų | 127.1 | 74% | 0.743 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -49.7 | -179.2 | -62.8 | 175.9 | 162.4 | 0 | 0 | 111.5 | S89 R93 R94 | S89-E91 VanDerWaalsContact C-N 3.25Å; S89-E91 PolarHBondContact O-N 3.09Å; E91-R93 PolarHBondContact O-N 2.89Å; E91-R93 VanDerWaalsContact O-N 3.08Å; E91-R94 WeakPolarHBondContact O-CB 3.48Å; E91-R94 PolarHBondContact O-N 2.82Å |
| 92 | S | 89.5 | Confident | 84.3 | Confident | 28 Ų | 28 | 124.5 Ų | 124.5 | 20% | 0.196 | 58% | 0.581 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -64.6 | -17.2 | -179.2 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | R88 S89 R94 L95 | R88-S92 WeakPolarHBondContact CB-OG 3.44Å; R88-S92 PolarHBondContact NH1-O 3.22Å; S89-S92 PolarHBondContact N-OG 2.73Å; S89-S92 PolarHBondContact O-N 3.37Å; S89-S92 PolarHBondContact O-OG 2.99Å; S89-S92 WeakPolarHBondContact OG-CB 3.41Å; S89-S92 PolarHBondContact OG-N 2.91Å; S89-S92 PolarHBondContact OG-OG 2.91Å; S92-R94 PolarHBondContact O-N 3.34Å; S92-L95 WeakPolarHBondContact O-CB 3.23Å; S92-L95 PolarHBondContact O-N 3.07Å |
| 93 | R | 88.6 | Confident | 83 | Confident | 71 Ų | 71 | 133.8 Ų | 133.8 | 27% | 0.268 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.8 | -25 | 169.9 | -74.6 | 166.5 | -163.1 | 170.2 | 6.6 | 113.4 | K4 R88 S89 E91 | K4-R93 VanDerWaalsContact CE-NH1 3.28Å; R88-R93 HydrophobicContact CB-CG 4Å; R88-R93 PolarHBondContact O-NE 2.96Å; R88-R93 PolarHBondContact O-NH2 3.24Å; R88-R93 VanDerWaalsContact O-NH2 3.16Å; S89-R93 VanDerWaalsContact O-CG 3.23Å; S89-R93 WeakPolarHBondContact O-CG 3.4Å; S89-R93 PolarHBondContact O-N 2.84Å; S89-R93 VanDerWaalsContact O-N 3.08Å; E91-R93 PolarHBondContact O-N 2.89Å; E91-R93 VanDerWaalsContact O-N 3.08Å |
| 94 | R | 87.2 | Confident | 81.8 | Confident | 202 Ų | 202 | 132.8 Ų | 132.8 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -26.5 | 178.7 | -65.9 | -178.9 | 178 | 176 | -0.9 | 111.6 | E91 S92 R96 | E91-R94 WeakPolarHBondContact O-CB 3.48Å; E91-R94 PolarHBondContact O-N 2.82Å; S92-R94 PolarHBondContact O-N 3.34Å; R94-R96 PolarHBondContact O-N 3.49Å |
| 95 | L | 88.2 | Confident | 80.4 | Confident | 108 Ų | 108 | 139.7 Ų | 139.7 | 57% | 0.565 | 64% | 0.641 | S | S | * | * | trans | -63.5 | 117 | 174.5 | -63.4 | 170.4 | 0 | 0 | 0 | 110.4 | R88 S92 | R88-L95 PolarHBondContact NH1-O 2.76Å; S92-L95 WeakPolarHBondContact O-CB 3.23Å; S92-L95 PolarHBondContact O-N 3.07Å | ||
| 96 | R | 83.9 | Confident | 79 | Confident | 201 Ų | 201 | 145.1 Ų | 145.1 | 76% | 0.758 | 66% | 0.662 | S | S | * | * | trans | -102.9 | -3.4 | 178.5 | -62.6 | -171.5 | -171.3 | 171 | 10.2 | 114 | N7 R94 | N7-R96 PolarHBondContact ND2-NH2 3.36Å; N7-R96 VanDerWaalsContact ND2-NH2 3.11Å; R94-R96 PolarHBondContact O-N 3.49Å | ||
| 97 | R | 85.2 | Confident | 77.7 | Confident | 222 Ų | 222 | 142.6 Ų | 142.6 | 84% | 0.838 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -66.4 | 146.6 | 175.1 | -62.4 | -176.4 | -176.6 | -176.4 | 1 | 109.7 | I99 | R97-I99 PolarHBondContact O-N 3.26Š|
| 98 | I | 78 | Confident | 76.3 | Confident | 153 Ų | 153 | 145.4 Ų | 145.4 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | trans | -67.7 | 123.3 | 173.6 | -62.6 | 170.1 | 0 | 0 | 0 | 107.2 | V100 | I98-V100 VanDerWaalsContact C-N 3.35Å; I98-V100 HydrophobicContact CG2-CG2 4.04Å; I98-V100 PolarHBondContact O-N 3.4Å | ||
| 99 | I | 70.8 | Confident | 75 | Confident | 130 Ų | 130 | 148 Ų | 148 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | trans | -79.9 | 92 | 173.6 | -55.9 | 169.4 | 0 | 0 | 0 | 106.2 | R97 K101 | R97-I99 PolarHBondContact O-N 3.26Å; I99-K101 PolarHBondContact O-N 2.93Å | ||
| 100 | V | 69.1 | Low | 73.8 | Confident | 114 Ų | 114 | 151 Ų | 151 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | trans | -75.3 | 115.7 | 171.6 | -172.7 | 0 | 0 | 0 | 0 | 106.3 | I98 P102 | I98-V100 VanDerWaalsContact C-N 3.35Å; I98-V100 HydrophobicContact CG2-CG2 4.04Å; I98-V100 PolarHBondContact O-N 3.4Å; V100-P102 WeakPolarHBondContact O-CD 3.36Å | ||
| 101 | K | 62.4 | Low | 72.6 | Confident | 156 Ų | 156 | 145 Ų | 145 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | trans | -66.7 | 125 | 164.5 | -81.4 | -168.8 | 169.6 | -161.5 | 0 | 106.9 | I99 R103 | I99-K101 PolarHBondContact O-N 2.93Å; K101-R103 PolarHBondContact O-N 3.08Å | ||
| 102 | P | 61.1 | Low | 71.4 | Confident | 113 Ų | 113 | 143.4 Ų | 143.4 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | trans | -57.8 | 119.2 | 170.8 | 20.9 | -27.4 | 0 | 0 | 0 | 107.4 | V100 V104 | V100-P102 WeakPolarHBondContact O-CD 3.36Å; P102-V104 PolarHBondContact O-N 3.38Å | ||
| 103 | R | 64.3 | Low | 70.1 | Confident | 243 Ų | 243 | 152.7 Ų | 152.7 | 92% | 0.917 | 74% | 0.738 | S | S | * | * | trans | -72.1 | 93.2 | 165.7 | -75 | -166.5 | -164.9 | -158.5 | 6.8 | 105.4 | K101 K105 | K101-R103 PolarHBondContact O-N 3.08Å; R103-K105 PolarHBondContact O-N 3.08Å | ||
| 104 | V | 65.2 | Low | 68.6 | Low | 132 Ų | 132 | 157.6 Ų | 157.6 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -60.1 | 107.9 | 163.7 | -133.2 | 0 | 0 | 0 | 0 | 105 | P102 F106 | P102-V104 PolarHBondContact O-N 3.38Å; V104-F106 PolarHBondContact O-N 3.16Å | ||
| 105 | K | 61.2 | Low | 67.7 | Low | 200 Ų | 200 | 155.4 Ų | 155.4 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -68.2 | 92.7 | 171.6 | -77.9 | -175.3 | 178.8 | -179.4 | 0 | 105.5 | R103 S107 | R103-K105 PolarHBondContact O-N 3.08Å; K105-S107 PolarHBondContact O-N 3.39Å | ||
| 106 | F | 61.2 | Low | 66.6 | Low | 174 Ų | 174 | 157.8 Ų | 157.8 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -69.8 | 92.4 | 169.3 | -159.3 | -85.5 | 0 | 0 | 0 | 106 | V104 R108 | V104-F106 PolarHBondContact O-N 3.16Å; F106-R108 HydrophobicContact CD1-CG 3.61Å; F106-R108 HydrophobicContact CE1-CG 3.93Å; F106-R108 PolarHBondContact O-N 2.84Å | ||
| 107 | S | 64.3 | Low | 65.6 | Low | 106 Ų | 106 | 155.4 Ų | 155.4 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -66 | 90.6 | 169.2 | 47.7 | 0 | 0 | 0 | 0 | 106.7 | K105 | K105-S107 PolarHBondContact O-N 3.39Š| ||
| 108 | R | 62.1 | Low | 64.5 | Low | 196 Ų | 196 | 151.5 Ų | 151.5 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | trans | -63.9 | 126.2 | 163.8 | -68.9 | -171.1 | 165.7 | -179.7 | -7.3 | 106.1 | F106 V110 | F106-R108 HydrophobicContact CD1-CG 3.61Å; F106-R108 HydrophobicContact CE1-CG 3.93Å; F106-R108 PolarHBondContact O-N 2.84Å; R108-V110 PolarHBondContact O-N 2.69Å | ||
| 109 | P | 63.2 | Low | 63.6 | Low | 127 Ų | 127 | 151.4 Ų | 151.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -60.4 | 112.4 | 169.6 | 24.6 | -29.7 | 0 | 0 | 0 | 106.7 | A111 | P109-A111 PolarHBondContact O-N 3.19Š| ||
| 110 | V | 65.1 | Low | 63.1 | Low | 133 Ų | 133 | 152.9 Ų | 152.9 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | trans | -75.7 | 112.4 | 170.4 | -177.2 | 0 | 0 | 0 | 0 | 104.5 | R108 | R108-V110 PolarHBondContact O-N 2.69Š| ||
| 111 | A | 63.8 | Low | 62.7 | Low | 76 Ų | 76 | 155.6 Ų | 155.6 | 63% | 0.628 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 138.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P109 R113 | P109-A111 PolarHBondContact O-N 3.19Å; A111-R113 PolarHBondContact O-N 3.27Å |
| 112 | P | 64.8 | Low | 62.8 | Low | 127 Ų | 127 | 155.6 Ų | 155.6 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 129.3 | 173.8 | 24.8 | -31.8 | 0 | 0 | 0 | 107.9 | A114 | P112-A114 PolarHBondContact O-N 2.99Š|
| 113 | R | 63.5 | Low | 62.9 | Low | 222 Ų | 222 | 159.2 Ų | 159.2 | 84% | 0.838 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 124.1 | 169.6 | -68.1 | -177 | 177.8 | -160.4 | -3.1 | 106.2 | A111 | A111-R113 PolarHBondContact O-N 3.27Š|
| 114 | A | 56 | Low | 62.8 | Low | 174 Ų | 174 | 151.5 Ų | 151.5 | 100% | 1.438 | 84% | 0.843 | S | S | * | * | trans | -57 | 0 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P112 | P112-A114 PolarHBondContact O-N 2.99Š|
Retrieved 114 of 114 residues in 19.4 ms
(Link to these results)