| 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 | 73.4 | Confident | 89.4 | Confident | 250 Ų | 250 | 127.6 Ų | 127.6 | 100% | 1.232 | 60% | 0.596 | S | S | * | * | 0 | 125.3 | 0 | -156.9 | -179.2 | -111.8 | 0 | 0 | 109.9 | |||||
| 2 | T | 88.9 | Confident | 89.6 | Confident | 146 Ų | 146 | 121.4 Ų | 121.4 | 90% | 0.896 | 57% | 0.566 | S | S | * | * | trans | -85.2 | 127.4 | -172.6 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3 | R | 90.9 | Very high | 89.7 | Confident | 140 Ų | 140 | 121.7 Ų | 121.7 | 53% | 0.528 | 56% | 0.564 | S | S | . | * | trans | -110.1 | 102.4 | -179.9 | -171.2 | -177.5 | -174.9 | -175 | 11 | 111.1 | R5 R6 H8 | R3-R5 VanDerWaalsContact C-N 3.3Å; R3-R5 WeakPolarHBondContact CG-O 3.37Å; R3-R5 PolarHBondContact NE-O 3.2Å; R3-R5 PolarHBondContact O-N 3.09Å; R3-R6 VanDerWaalsContact CZ-O 3.24Å; R3-R6 PolarHBondContact NH2-O 3.34Å; R3-H8 PolarHBondContact NE-CE1 3.16Å; R3-H8 VanDerWaalsContact NE-CE1 3.28Å; R3-H8 PolarHBondContact NE-NE2 3.32Å; R3-H8 PolarHBondContact NH2-CD2 3.04Å; R3-H8 PolarHBondContact NH2-NE2 3.23Å | ||
| 4 | K | 90.4 | Very high | 89.8 | Confident | 145 Ų | 145 | 120 Ų | 120 | 63% | 0.63 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -59.7 | -33.3 | -179.6 | -171.4 | 173.9 | -176.9 | 169.3 | 0 | 114.3 | ||
| 5 | R | 91 | Very high | 89.8 | Confident | 100 Ų | 100 | 120.2 Ų | 120.2 | 38% | 0.377 | 59% | 0.587 | S | S | . | * | trans | -141.5 | 134.6 | -177.9 | -64.3 | -173.9 | 168.5 | 95.4 | -2.9 | 111.9 | R3 N7 H8 | R3-R5 VanDerWaalsContact C-N 3.3Å; R3-R5 WeakPolarHBondContact CG-O 3.37Å; R3-R5 PolarHBondContact NE-O 3.2Å; R3-R5 PolarHBondContact O-N 3.09Å; R5-N7 WeakPolarHBondContact CB-OD1 3.24Å; R5-N7 PolarHBondContact O-N 3.25Å; R5-H8 PolarHBondContact O-N 2.79Å | ||
| 6 | R | 91 | Very high | 89.9 | Confident | 215 Ų | 215 | 117.3 Ų | 117.3 | 81% | 0.811 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -18.6 | 175.5 | -173.2 | 179 | 177.9 | -162 | 0.9 | 113.8 | R3 | R3-R6 VanDerWaalsContact CZ-O 3.24Å; R3-R6 PolarHBondContact NH2-O 3.34Å |
| 7 | N | 90.5 | Very high | 90 | Very high | 47 Ų | 47 | 117.9 Ų | 117.9 | 25% | 0.251 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.4 | 8.3 | 177.3 | 68 | -9 | 0 | 0 | 0 | 113.9 | R5 G9 R10 | R5-N7 WeakPolarHBondContact CB-OD1 3.24Å; R5-N7 PolarHBondContact O-N 3.25Å; N7-G9 PolarHBondContact O-N 3.04Å; N7-G9 PolarHBondContact OD1-N 3.02Å; N7-R10 PolarHBondContact O-N 3.15Å; N7-R10 VanDerWaalsContact O-N 3.15Å |
| 8 | H | 91.8 | Very high | 90.1 | Very high | 127 Ų | 127 | 112.4 Ų | 112.4 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.5 | 22.1 | -171.8 | -53.7 | -80.7 | 0 | 0 | 0 | 114.3 | R3 R5 R10 | R3-H8 PolarHBondContact NE-CE1 3.16Å; R3-H8 VanDerWaalsContact NE-CE1 3.28Å; R3-H8 PolarHBondContact NE-NE2 3.32Å; R3-H8 PolarHBondContact NH2-CD2 3.04Å; R3-H8 PolarHBondContact NH2-NE2 3.23Å; R5-H8 PolarHBondContact O-N 2.79Å; H8-R10 VanDerWaalsContact C-N 3.33Å; H8-R10 PolarHBondContact O-N 2.74Å |
| 9 | G | 91.6 | Very high | 90.3 | Very high | 31 Ų | 31 | 117.7 Ų | 117.7 | 32% | 0.32 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72.1 | 20.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | N7 | N7-G9 PolarHBondContact O-N 3.04Å; N7-G9 PolarHBondContact OD1-N 3.02Å |
| 10 | R | 92.9 | Very high | 90.5 | Very high | 101 Ų | 101 | 118 Ų | 118 | 38% | 0.381 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -139.4 | 154.1 | 173.6 | 64.5 | 179 | -177.7 | -168.4 | -2.7 | 111.6 | N7 H8 K12 K34 | N7-R10 PolarHBondContact O-N 3.15Å; N7-R10 VanDerWaalsContact O-N 3.15Å; H8-R10 VanDerWaalsContact C-N 3.33Å; H8-R10 PolarHBondContact O-N 2.74Å; R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 HydrophobicContact CG-CB 4.09Å; R10-K12 PolarHBondContact O-N 3.5Å; R10-K34 HydrophobicContact CB-CB 4.13Å |
| 11 | N | 91.4 | Very high | 90.7 | Very high | 102 Ų | 102 | 114.2 Ų | 114.2 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | trans | -93 | 54.3 | 175.2 | -164.3 | 24.8 | 0 | 0 | 0 | 112.9 | R15 D33 | N11-R15 PolarHBondContact O-NH2 2.91Å; N11-D33 HydrophobicContact CB-CB 4.33Å; N11-D33 PolarHBondContact N-O 2.96Å | ||
| 12 | K | 91.2 | Very high | 91.7 | Very high | 53 Ų | 53 | 110.3 Ų | 110.3 | 23% | 0.23 | 53% | 0.534 | C | S | . | . | trans | -105.3 | 107.4 | 177.1 | -174.3 | 180 | 170.4 | -174 | 0 | 108.9 | R10 R15 G16 V18 | R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 HydrophobicContact CG-CB 4.09Å; R10-K12 PolarHBondContact O-N 3.5Å; K12-R15 WeakPolarHBondContact CE-O 3.49Å; K12-R15 HydrophobicContact CG-CB 4.2Å; K12-G16 VanDerWaalsContact CE-O 3.23Å; K12-G16 WeakPolarHBondContact CE-O 3.39Å; K12-G16 PolarHBondContact NZ-O 3.01Å; K12-V18 HydrophobicContact CD-CG2 4.05Å; K12-V18 HydrophobicContact CG-CG2 4.05Å | ||
| 13 | K | 91.6 | Very high | 92 | Very high | 125 Ų | 125 | 103.6 Ų | 103.6 | 54% | 0.543 | 49% | 0.493 | S | S | . | . | trans | -130 | 127.6 | 179.8 | -62.4 | -64.8 | -176.8 | 176 | 0 | 108.2 | R15 | K13-R15 PolarHBondContact O-N 3.26Å; K13-R15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | G | 90.9 | Very high | 92.2 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 100% | 1.01 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 61.8 | 16.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 15 | R | 89.9 | Confident | 92.3 | Very high | 123 Ų | 123 | 98.3 Ų | 98.3 | 46% | 0.464 | 49% | 0.485 | S | S | . | . | trans | -120.3 | 137.7 | -177.9 | -66 | -168.2 | -70.6 | -113.3 | 4.1 | 110.9 | N11 K12 K13 D33 | N11-R15 PolarHBondContact O-NH2 2.91Å; K12-R15 WeakPolarHBondContact CE-O 3.49Å; K12-R15 HydrophobicContact CG-CB 4.2Å; K13-R15 PolarHBondContact O-N 3.26Å; K13-R15 VanDerWaalsContact O-N 3.12Å; R15-D33 IonicContact CZ-OD2 3.59Å; R15-D33 IonicContact NE-OD2 3.68Å; R15-D33 IonicContact NH2-OD1 3.26Å; R15-D33 PolarHBondContact NH2-OD1 3.07Å; R15-D33 IonicContact NH2-OD2 2.73Å; R15-D33 PolarHBondContact NH2-OD2 3.22Å | ||
| 16 | G | 90.7 | Very high | 92.5 | Very high | 73 Ų | 73 | 96.9 Ų | 96.9 | 75% | 0.753 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -79.2 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K12 | K12-G16 VanDerWaalsContact CE-O 3.23Å; K12-G16 WeakPolarHBondContact CE-O 3.39Å; K12-G16 PolarHBondContact NZ-O 3.01Å |
| 17 | H | 91.5 | Very high | 92.6 | Very high | 128 Ų | 128 | 88.2 Ų | 88.2 | 59% | 0.593 | 47% | 0.467 | S | S | * | . | trans | -138.4 | 156.5 | 178.4 | 177.2 | -104.7 | 0 | 0 | 0 | 110.7 | F20 | H17-F20 AromaticContact NE2-CD2 3.96Å; H17-F20 AromaticContact NE2-CE2 3.38Å; H17-F20 WeakPolarHBondContact NE2-CE2 3.45Å | ||
| 18 | V | 92.7 | Very high | 92.8 | Very high | 20 Ų | 20 | 93.3 Ų | 93.3 | 12% | 0.121 | 48% | 0.483 | C | S | . | . | trans | -137.3 | 130.6 | 179.7 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | K12 F20 K32 D33 | K12-V18 HydrophobicContact CD-CG2 4.05Å; K12-V18 HydrophobicContact CG-CG2 4.05Å; V18-F20 PolarHBondContact O-N 2.78Å; V18-K32 HydrophobicContact CG1-CB 3.87Å; V18-D33 WeakPolarHBondContact CG1-OD2 2.88Å; V18-D33 WeakPolarHBondContact CG2-OD2 3.5Å | ||
| 19 | R | 93.5 | Very high | 92.9 | Very high | 213 Ų | 213 | 90.1 Ų | 90.1 | 80% | 0.804 | 47% | 0.474 | S | S | * | . | trans | -52.6 | 138.2 | 178 | -68.8 | -173.7 | -179.6 | -175.2 | 0.9 | 111.5 | K32 | R19-K32 WeakPolarHBondContact O-CB 3.32Å; R19-K32 PolarHBondContact O-N 2.69Å; R19-K32 VanDerWaalsContact O-N 3.14Å | ||
| 20 | F | 94 | Very high | 92.9 | Very high | 122 Ų | 122 | 89.3 Ų | 89.3 | 54% | 0.535 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 148.7 | 175 | -66.3 | -81.3 | 0 | 0 | 0 | 110.8 | H17 V18 C29 P31 | H17-F20 AromaticContact NE2-CD2 3.96Å; H17-F20 AromaticContact NE2-CE2 3.38Å; H17-F20 WeakPolarHBondContact NE2-CE2 3.45Å; V18-F20 PolarHBondContact O-N 2.78Å; F20-C29 HydrophobicContact CD1-CB 4.42Å; F20-P31 HydrophobicContact CD1-CB 4.23Å; F20-P31 HydrophobicContact CE1-CB 4.17Å; F20-P31 HydrophobicContact CE1-CG 4.45Å |
| 21 | I | 94 | Very high | 93 | Very high | 39 Ų | 39 | 85.8 Ų | 85.8 | 20% | 0.2 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.3 | 173 | -62.3 | -180 | 0 | 0 | 0 | 107.2 | C30 K32 H72 | I21-C30 PolarHBondContact N-O 3.16Å; I21-C30 PolarHBondContact O-N 3.44Å; I21-C30 VanDerWaalsContact O-O 3.07Å; I21-K32 HydrophobicContact CD1-CB 3.64Å; I21-K32 HydrophobicContact CD1-CD 3.99Å; I21-K32 HydrophobicContact CD1-CG 3.55Å; I21-K32 HydrophobicContact CG1-CB 4.06Å; I21-K32 HydrophobicContact CG1-CG 4.47Å; I21-H72 HydrophobicContact CG2-CB 3.85Å |
| 22 | R | 95.4 | Very high | 93.1 | Very high | 168 Ų | 168 | 86 Ų | 86 | 63% | 0.634 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 135.3 | 175.6 | -65.3 | -74.4 | 176.3 | 160.8 | 2.6 | 110.3 | G27 C29 | R22-G27 WeakPolarHBondContact CD-O 3.24Å; R22-G27 PolarHBondContact NH1-O 3.4Å; R22-C29 PolarHBondContact NE-SG 3.06Å; R22-C29 VanDerWaalsContact NE-SG 3.42Å; R22-C29 PolarHBondContact NH1-SG 2.7Å; R22-C29 VanDerWaalsContact NH1-SG 3.42Å; R22-C29 PolarHBondContact NH2-SG 3.05Å; R22-C29 VanDerWaalsContact NH2-SG 3.36Å |
| 23 | C | 95.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 84.8 Ų | 84.8 | 4% | 0.041 | 45% | 0.446 | C | S | . | . | trans | -62.7 | 135.8 | 172 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | N25 C26 G27 R28 H72 C74 | C23-N25 VanDerWaalsContact C-N 3.26Å; C23-N25 PolarHBondContact O-N 3.23Å; C23-C26 VanDerWaalsContact CB-SG 3.6Å; C23-G27 WeakPolarHBondContact O-CA 3.44Å; C23-G27 PolarHBondContact O-N 3.11Å; C23-R28 HydrophobicContact CB-CB 4.47Å; C23-R28 PolarHBondContact N-O 3.41Å; C23-H72 CarbonylContact C-O 3.58Å; C23-H72 VanDerWaalsContact CA-O 3.3Å; C23-H72 WeakPolarHBondContact CA-O 3.3Å; C23-C74 HydrophobicContact CB-CB 4.14Å; C23-C74 PolarHBondContact SG-N 3.04Å | ||
| 24 | T | 94.2 | Very high | 93.4 | Very high | 69 Ų | 69 | 83.7 Ų | 83.7 | 42% | 0.423 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -30.7 | -179.9 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | L71 H72 | T24-L71 HydrophobicContact CG2-CD2 4.13Å; T24-H72 PolarHBondContact N-O 3.38Å; T24-H72 PolarHBondContact OG1-O 2.8Å |
| 25 | N | 93.3 | Very high | 93.6 | Very high | 105 Ų | 105 | 79.6 Ų | 79.6 | 56% | 0.561 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -43.1 | -173.8 | -66.2 | 23.1 | 0 | 0 | 0 | 112.8 | C23 Y73 | C23-N25 VanDerWaalsContact C-N 3.26Å; C23-N25 PolarHBondContact O-N 3.23Å; N25-Y73 WeakPolarHBondContact OD1-CE1 3.39Å |
| 26 | C | 94.9 | Very high | 93.8 | Very high | 69 Ų | 69 | 75.6 Ų | 75.6 | 47% | 0.466 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 1.6 | -172.1 | 65.9 | 0 | 0 | 0 | 0 | 114.3 | C23 R28 C77 | C23-C26 VanDerWaalsContact CB-SG 3.6Å; C26-R28 PolarHBondContact O-N 2.7Å; C26-C77 PolarHBondContact SG-SG 3.47Å |
| 27 | G | 93 | Very high | 93.9 | Very high | 34 Ų | 34 | 77.2 Ų | 77.2 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | trans | 65 | 3.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R22 C23 C29 | R22-G27 WeakPolarHBondContact CD-O 3.24Å; R22-G27 PolarHBondContact NH1-O 3.4Å; C23-G27 WeakPolarHBondContact O-CA 3.44Å; C23-G27 PolarHBondContact O-N 3.11Å; G27-C29 PolarHBondContact O-N 3.01Å | ||
| 28 | R | 94.4 | Very high | 93.9 | Very high | 154 Ų | 154 | 74.1 Ų | 74.1 | 58% | 0.581 | 36% | 0.356 | S | S | * | . | trans | -64.1 | 134 | -178.8 | -172 | 176.3 | -174.6 | 168 | 7.5 | 111.8 | C23 C26 C30 | C23-R28 HydrophobicContact CB-CB 4.47Å; C23-R28 PolarHBondContact N-O 3.41Å; C26-R28 PolarHBondContact O-N 2.7Å; R28-C30 PolarHBondContact O-N 3.46Å | ||
| 29 | C | 94.7 | Very high | 93.9 | Very high | 59 Ų | 59 | 77.5 Ų | 77.5 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 120.5 | 169.5 | -69.1 | 0 | 0 | 0 | 0 | 111.1 | F20 R22 G27 | F20-C29 HydrophobicContact CD1-CB 4.42Å; R22-C29 PolarHBondContact NE-SG 3.06Å; R22-C29 VanDerWaalsContact NE-SG 3.42Å; R22-C29 PolarHBondContact NH1-SG 2.7Å; R22-C29 VanDerWaalsContact NH1-SG 3.42Å; R22-C29 PolarHBondContact NH2-SG 3.05Å; R22-C29 VanDerWaalsContact NH2-SG 3.36Å; G27-C29 PolarHBondContact O-N 3.01Å |
| 30 | C | 92.4 | Very high | 93.9 | Very high | 14 Ų | 14 | 68.5 Ų | 68.5 | 10% | 0.095 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 134.5 | 174.4 | -64.2 | 0 | 0 | 0 | 0 | 109.3 | I21 R28 K32 A35 C74 | I21-C30 PolarHBondContact N-O 3.16Å; I21-C30 PolarHBondContact O-N 3.44Å; I21-C30 VanDerWaalsContact O-O 3.07Å; R28-C30 PolarHBondContact O-N 3.46Å; C30-K32 PolarHBondContact O-N 3.12Å; C30-A35 HydrophobicContact CB-CB 4.33Å; C30-C74 WeakPolarHBondContact SG-CB 3.44Å |
| 31 | P | 94.9 | Very high | 93.8 | Very high | 28 Ų | 28 | 66 Ų | 66 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 139.9 | 174.3 | 22 | -25.9 | 0 | 0 | 0 | 109.5 | F20 D33 K34 A35 | F20-P31 HydrophobicContact CD1-CB 4.23Å; F20-P31 HydrophobicContact CE1-CB 4.17Å; F20-P31 HydrophobicContact CE1-CG 4.45Å; P31-D33 PolarHBondContact O-N 2.9Å; P31-K34 HydrophobicContact CG-CB 3.73Å; P31-K34 HydrophobicContact CG-CD 4.36Å; P31-K34 PolarHBondContact O-N 2.87Å; P31-A35 PolarHBondContact O-N 3.49Å |
| 32 | K | 93.6 | Very high | 93.7 | Very high | 105 Ų | 105 | 71.8 Ų | 71.8 | 46% | 0.457 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -30.6 | -176.4 | 177.6 | 172.5 | -177.2 | -177.9 | 0 | 113.9 | V18 R19 I21 C30 K37 | V18-K32 HydrophobicContact CG1-CB 3.87Å; R19-K32 WeakPolarHBondContact O-CB 3.32Å; R19-K32 PolarHBondContact O-N 2.69Å; R19-K32 VanDerWaalsContact O-N 3.14Å; I21-K32 HydrophobicContact CD1-CB 3.64Å; I21-K32 HydrophobicContact CD1-CD 3.99Å; I21-K32 HydrophobicContact CD1-CG 3.55Å; I21-K32 HydrophobicContact CG1-CB 4.06Å; I21-K32 HydrophobicContact CG1-CG 4.47Å; C30-K32 PolarHBondContact O-N 3.12Å; K32-K37 WeakPolarHBondContact O-CE 3.47Å; K32-K37 PolarHBondContact O-NZ 3.36Å; K32-K37 VanDerWaalsContact O-NZ 3.09Å |
| 33 | D | 93.4 | Very high | 93.5 | Very high | 29 Ų | 29 | 67.3 Ų | 67.3 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -7.3 | -178.2 | -61.9 | -28 | 0 | 0 | 0 | 114.6 | N11 R15 V18 P31 | N11-D33 HydrophobicContact CB-CB 4.33Å; N11-D33 PolarHBondContact N-O 2.96Å; R15-D33 IonicContact CZ-OD2 3.59Å; R15-D33 IonicContact NE-OD2 3.68Å; R15-D33 IonicContact NH2-OD1 3.26Å; R15-D33 PolarHBondContact NH2-OD1 3.07Å; R15-D33 IonicContact NH2-OD2 2.73Å; R15-D33 PolarHBondContact NH2-OD2 3.22Å; V18-D33 WeakPolarHBondContact CG1-OD2 2.88Å; V18-D33 WeakPolarHBondContact CG2-OD2 3.5Å; P31-D33 PolarHBondContact O-N 2.9Å |
| 34 | K | 94.5 | Very high | 93.3 | Very high | 102 Ų | 102 | 71.6 Ų | 71.6 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -22.8 | 174.9 | -168.2 | 174.3 | -179.6 | -177.7 | 0 | 111.8 | R10 P31 I36 V75 | R10-K34 HydrophobicContact CB-CB 4.13Å; P31-K34 HydrophobicContact CG-CB 3.73Å; P31-K34 HydrophobicContact CG-CD 4.36Å; P31-K34 PolarHBondContact O-N 2.87Å; K34-I36 PolarHBondContact O-N 2.9Å; K34-V75 HydrophobicContact CG-CG2 4.38Å |
| 35 | A | 94.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 69.4 Ų | 69.4 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -59.5 | 135.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C30 P31 K37 Y73 | C30-A35 HydrophobicContact CB-CB 4.33Å; P31-A35 PolarHBondContact O-N 3.49Å; A35-K37 PolarHBondContact O-N 3.09Å; A35-Y73 WeakPolarHBondContact CA-O 3.44Å |
| 36 | I | 94.5 | Very high | 93 | Very high | 39 Ų | 39 | 71.1 Ų | 71.1 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 108.6 | 175.9 | -66.3 | 155.8 | 0 | 0 | 0 | 106.4 | K34 Y73 A78 V83 V84 | K34-I36 PolarHBondContact O-N 2.9Å; I36-Y73 PolarHBondContact N-O 3.32Å; I36-Y73 PolarHBondContact O-N 2.92Å; I36-A78 HydrophobicContact CB-CB 4.28Å; I36-A78 HydrophobicContact CD1-CB 3.16Å; I36-A78 HydrophobicContact CG1-CB 4.3Å; I36-A78 HydrophobicContact CG2-CB 4.37Å; I36-V83 HydrophobicContact CG2-CG1 4.3Å; I36-V84 HydrophobicContact CD1-CG2 3.94Å; I36-V84 HydrophobicContact CG1-CG2 4.4Å; I36-V84 HydrophobicContact CG2-CG2 3.94Å |
| 37 | K | 92.6 | Very high | 92.8 | Very high | 107 Ų | 107 | 71.8 Ų | 71.8 | 47% | 0.465 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 120.5 | -176.6 | -53 | 179 | -174.3 | 158 | 0 | 108.4 | K32 A35 L71 | K32-K37 WeakPolarHBondContact O-CE 3.47Å; K32-K37 PolarHBondContact O-NZ 3.36Å; K32-K37 VanDerWaalsContact O-NZ 3.09Å; A35-K37 PolarHBondContact O-N 3.09Å; K37-L71 WeakPolarHBondContact CA-O 3.44Å |
| 38 | K | 92.2 | Very high | 92.7 | Very high | 63 Ų | 63 | 73.4 Ų | 73.4 | 27% | 0.274 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 109 | 175.3 | -171.2 | 179 | 176.8 | -177.8 | 0 | 107.9 | I40 L71 Y73 V83 | K38-I40 HydrophobicContact CD-CD1 3.91Å; K38-I40 HydrophobicContact CD-CG1 4.06Å; K38-I40 HydrophobicContact CG-CD1 4.24Å; K38-I40 HydrophobicContact CG-CG1 3.83Å; K38-L71 HydrophobicContact CB-CB 4.48Å; K38-L71 PolarHBondContact N-O 2.77Å; K38-L71 PolarHBondContact O-N 3.14Å; K38-Y73 HydrophobicContact CB-CE2 4.44Å; K38-V83 HydrophobicContact CD-CG1 4.08Å |
| 39 | H | 92.7 | Very high | 92.6 | Very high | 92 Ų | 92 | 67.8 Ų | 67.8 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121 | 167.7 | -167.2 | -119.6 | 0 | 0 | 0 | 108.2 | F68 F69 | H39-F68 AromaticContact CE1-CD1 3.92Å; H39-F69 WeakPolarHBondContact CA-O 3.41Å |
| 40 | I | 92.9 | Very high | 92.3 | Very high | 23 Ų | 23 | 67 Ų | 67 | 12% | 0.118 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.7 | 176.9 | -57.2 | -169.6 | 0 | 0 | 0 | 106.9 | K38 R42 F69 L71 | K38-I40 HydrophobicContact CD-CD1 3.91Å; K38-I40 HydrophobicContact CD-CG1 4.06Å; K38-I40 HydrophobicContact CG-CD1 4.24Å; K38-I40 HydrophobicContact CG-CG1 3.83Å; I40-R42 HydrophobicContact CG2-CG 3.69Å; I40-F69 HydrophobicContact CB-CB 4.45Å; I40-F69 PolarHBondContact N-O 2.92Å; I40-F69 PolarHBondContact O-N 3.06Å; I40-L71 HydrophobicContact CD1-CD1 3.44Å; I40-L71 VanDerWaalsContact CD1-CD1 3.44Å; I40-L71 HydrophobicContact CD1-CG 4.43Å; I40-L71 HydrophobicContact CG1-CD1 4.15Å |
| 41 | V | 92.9 | Very high | 92.1 | Very high | 71 Ų | 71 | 75.3 Ų | 75.3 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.4 | 167.3 | -173.5 | 0 | 0 | 0 | 0 | 105.9 | K66 L67 F68 | V41-K66 HydrophobicContact CG1-CB 4.11Å; V41-K66 HydrophobicContact CG1-CD 3.92Å; V41-K66 HydrophobicContact CG1-CG 4.47Å; V41-L67 WeakPolarHBondContact CA-O 3.49Å; V41-F68 HydrophobicContact CB-CE1 4.5Å; V41-F68 HydrophobicContact CG1-CD1 4.15Å; V41-F68 HydrophobicContact CG1-CE1 3.78Å; V41-F68 HydrophobicContact CG1-CZ 4.37Å; V41-F68 HydrophobicContact CG2-CD1 3.81Å; V41-F68 HydrophobicContact CG2-CE1 3.93Å |
| 42 | R | 91.8 | Very high | 92 | Very high | 159 Ų | 159 | 79.2 Ų | 79.2 | 60% | 0.6 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 148.6 | 175.2 | -80.7 | 173.6 | -174.8 | -169.5 | -1.1 | 108.1 | I40 K66 L67 | I40-R42 HydrophobicContact CG2-CG 3.69Å; R42-K66 CarbonylContact O-C 3.47Å; R42-K66 WeakPolarHBondContact O-CA 3.33Å; R42-L67 PolarHBondContact N-O 3.07Å; R42-L67 PolarHBondContact O-N 2.97Å |
| 43 | N | 91.2 | Very high | 91.8 | Very high | 74 Ų | 74 | 77.6 Ų | 77.6 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 152.3 | 164.9 | -64.7 | -1.9 | 0 | 0 | 0 | 108.2 | V45 K66 | N43-V45 WeakPolarHBondContact CB-O 3.33Å; N43-V45 PolarHBondContact O-N 2.94Å; N43-K66 WeakPolarHBondContact OD1-CE 3.44Å; N43-K66 WeakPolarHBondContact OD1-CG 3.37Å |
| 44 | I | 91.6 | Very high | 91.6 | Very high | 96 Ų | 96 | 79.4 Ų | 79.4 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -60.4 | -40.2 | 173.5 | -68.5 | 168.8 | 0 | 0 | 0 | 109.9 | P65 L67 | I44-P65 HydrophobicContact CD1-CB 3.6Å; I44-P65 HydrophobicContact CD1-CG 3.7Å; I44-P65 WeakPolarHBondContact CG1-O 3.5Å; I44-P65 PolarHBondContact N-O 3.35Å; I44-P65 VanDerWaalsContact N-O 3.11Å; I44-L67 HydrophobicContact CB-CG 4.47Å; I44-L67 HydrophobicContact CD1-CD2 4.45Å; I44-L67 HydrophobicContact CG1-CD1 4.22Å; I44-L67 HydrophobicContact CG1-CD2 3.76Å; I44-L67 HydrophobicContact CG1-CG 3.61Å |
| 45 | V | 90.7 | Very high | 91.3 | Very high | 24 Ų | 24 | 82.1 Ų | 82.1 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -92.8 | 137.7 | -178.9 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | N43 A49 V50 I53 L64 | N43-V45 WeakPolarHBondContact CB-O 3.33Å; N43-V45 PolarHBondContact O-N 2.94Å; V45-A49 HydrophobicContact CG1-CB 3.81Å; V45-V50 HydrophobicContact CG1-CG2 3.97Å; V45-I53 HydrophobicContact CB-CD1 4.22Å; V45-I53 HydrophobicContact CG1-CD1 3.59Å; V45-I53 HydrophobicContact CG2-CD1 3.51Å; V45-L64 HydrophobicContact CB-CD1 4.21Å; V45-L64 HydrophobicContact CG2-CD1 4.42Å; V45-L64 HydrophobicContact CG2-CD2 3.95Å |
| 46 | E | 90.3 | Very high | 91.1 | Very high | 141 Ų | 141 | 85.7 Ų | 85.7 | 66% | 0.659 | 45% | 0.454 | S | S | * | . | trans | -77.2 | 150.4 | 172.2 | -163.9 | -124.3 | 141.1 | 0 | 0 | 111 | A48 A49 V50 | E46-A48 PolarHBondContact O-N 3.48Å; E46-A49 PolarHBondContact O-N 2.65Å; E46-V50 PolarHBondContact O-N 2.95Å | ||
| 47 | A | 89.4 | Confident | 90.7 | Very high | 83 Ų | 83 | 85.7 Ų | 85.7 | 69% | 0.686 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -56.8 | -31.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 48 | A | 92 | Very high | 90.6 | Very high | 68 Ų | 68 | 87.1 Ų | 87.1 | 56% | 0.562 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -65.2 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E46 V50 | E46-A48 PolarHBondContact O-N 3.48Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 2.73Å |
| 49 | A | 91.2 | Very high | 90.3 | Very high | 35 Ų | 35 | 91.7 Ų | 91.7 | 29% | 0.289 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -83.5 | -1.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V45 E46 R51 I53 | V45-A49 HydrophobicContact CG1-CB 3.81Å; E46-A49 PolarHBondContact O-N 2.65Å; A49-R51 VanDerWaalsContact C-N 3.31Å; A49-R51 PolarHBondContact O-N 3Å; A49-I53 WeakPolarHBondContact O-CB 3.4Å; A49-I53 WeakPolarHBondContact O-CG1 3.34Å; A49-I53 PolarHBondContact O-N 3.12Å |
| 50 | V | 89.4 | Confident | 89.7 | Confident | 42 Ų | 42 | 95.8 Ų | 95.8 | 26% | 0.255 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | -179.6 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | V45 E46 A48 I53 T54 L64 | V45-V50 HydrophobicContact CG1-CG2 3.97Å; E46-V50 PolarHBondContact O-N 2.95Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 2.73Å; V50-I53 PolarHBondContact O-N 3.26Å; V50-T54 HydrophobicContact CG1-CG2 4.28Å; V50-T54 VanDerWaalsContact O-CG2 3.32Å; V50-T54 WeakPolarHBondContact O-CG2 3.34Å; V50-T54 PolarHBondContact O-N 2.97Å; V50-T54 PolarHBondContact O-OG1 3.32Å; V50-L64 HydrophobicContact CG1-CD1 4.05Å; V50-L64 HydrophobicContact CG2-CD1 3.96Å |
| 51 | R | 88.1 | Confident | 89.1 | Confident | 190 Ų | 190 | 100 Ų | 100 | 72% | 0.717 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.2 | -52.2 | -177.2 | -67.1 | -177.4 | -179.7 | 179 | -1.2 | 111.9 | A49 I53 T54 E55 | A49-R51 VanDerWaalsContact C-N 3.31Å; A49-R51 PolarHBondContact O-N 3Å; R51-I53 PolarHBondContact O-N 2.87Å; R51-T54 WeakPolarHBondContact CA-OG1 3.45Å; R51-T54 PolarHBondContact O-N 2.93Å; R51-T54 PolarHBondContact O-OG1 3.14Å; R51-E55 WeakPolarHBondContact O-CG 3.4Å; R51-E55 PolarHBondContact O-N 3.46Å |
| 52 | D | 92.4 | Very high | 88.4 | Confident | 109 Ų | 109 | 101.5 Ų | 101.5 | 58% | 0.583 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.4 | -38.5 | -179.9 | -50.6 | -23.9 | 0 | 0 | 0 | 111.5 | A56 | D52-A56 VanDerWaalsContact O-CB 3.24Å; D52-A56 WeakPolarHBondContact O-CB 3.27Å; D52-A56 PolarHBondContact O-N 3.46Å |
| 53 | I | 89.3 | Confident | 88 | Confident | 71 Ų | 71 | 99.9 Ų | 99.9 | 36% | 0.364 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.7 | -37.6 | 177.5 | -68.7 | -179.4 | 0 | 0 | 0 | 111.7 | V45 A49 V50 R51 S57 L64 | V45-I53 HydrophobicContact CB-CD1 4.22Å; V45-I53 HydrophobicContact CG1-CD1 3.59Å; V45-I53 HydrophobicContact CG2-CD1 3.51Å; A49-I53 WeakPolarHBondContact O-CB 3.4Å; A49-I53 WeakPolarHBondContact O-CG1 3.34Å; A49-I53 PolarHBondContact O-N 3.12Å; V50-I53 PolarHBondContact O-N 3.26Å; R51-I53 PolarHBondContact O-N 2.87Å; I53-S57 VanDerWaalsContact O-CB 3.24Å; I53-S57 WeakPolarHBondContact O-CB 2.92Å; I53-S57 PolarHBondContact O-N 3.45Å; I53-L64 HydrophobicContact CG2-CD2 4.32Å |
| 54 | T | 88.2 | Confident | 87.8 | Confident | 68 Ų | 68 | 98.1 Ų | 98.1 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 176.3 | 48.1 | 0 | 0 | 0 | 0 | 111.8 | V50 R51 S57 | V50-T54 HydrophobicContact CG1-CG2 4.28Å; V50-T54 VanDerWaalsContact O-CG2 3.32Å; V50-T54 WeakPolarHBondContact O-CG2 3.34Å; V50-T54 PolarHBondContact O-N 2.97Å; V50-T54 PolarHBondContact O-OG1 3.32Å; R51-T54 WeakPolarHBondContact CA-OG1 3.45Å; R51-T54 PolarHBondContact O-N 2.93Å; R51-T54 PolarHBondContact O-OG1 3.14Å; T54-S57 PolarHBondContact O-N 2.8Å; T54-S57 PolarHBondContact O-OG 2.84Å |
| 55 | E | 88.8 | Confident | 87.7 | Confident | 158 Ų | 158 | 96.6 Ų | 96.6 | 74% | 0.738 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.7 | -35.7 | 177.2 | -70.4 | 173.8 | -164.1 | 0 | 0 | 112.1 | R51 S57 | R51-E55 WeakPolarHBondContact O-CG 3.4Å; R51-E55 PolarHBondContact O-N 3.46Å; E55-S57 VanDerWaalsContact C-N 3.32Å |
| 56 | A | 90.3 | Very high | 87.9 | Confident | 86 Ų | 86 | 101 Ų | 101 | 71% | 0.711 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | D52 | D52-A56 VanDerWaalsContact O-CB 3.24Å; D52-A56 WeakPolarHBondContact O-CB 3.27Å; D52-A56 PolarHBondContact O-N 3.46Å |
| 57 | S | 87.3 | Confident | 88.1 | Confident | 40 Ų | 40 | 97.3 Ų | 97.3 | 28% | 0.28 | 55% | 0.545 | S | S | . | . | trans | -86 | 142.3 | -177.8 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | I53 T54 E55 Y59 | I53-S57 VanDerWaalsContact O-CB 3.24Å; I53-S57 WeakPolarHBondContact O-CB 2.92Å; I53-S57 PolarHBondContact O-N 3.45Å; T54-S57 PolarHBondContact O-N 2.8Å; T54-S57 PolarHBondContact O-OG 2.84Å; E55-S57 VanDerWaalsContact C-N 3.32Å; S57-Y59 PolarHBondContact O-N 3.01Å; S57-Y59 PolarHBondContact OG-O 3.02Å | ||
| 58 | V | 90.1 | Very high | 88.4 | Confident | 137 Ų | 137 | 99.9 Ų | 99.9 | 83% | 0.83 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -70 | -19.2 | 178 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 59 | Y | 86 | Confident | 88.5 | Confident | 158 Ų | 158 | 101.2 Ų | 101.2 | 62% | 0.62 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -104.6 | 126 | -176.4 | -59.6 | -70.8 | 0 | 0 | 0 | 111 | S57 S61 F62 | S57-Y59 PolarHBondContact O-N 3.01Å; S57-Y59 PolarHBondContact OG-O 3.02Å; Y59-S61 PolarHBondContact O-N 2.91Å; Y59-S61 VanDerWaalsContact O-N 3.09Å; Y59-F62 HydrophobicContact CD2-CD2 4.28Å |
| 60 | D | 79 | Confident | 88.6 | Confident | 178 Ų | 178 | 107 Ų | 107 | 95% | 0.952 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -25.5 | 179.5 | -64.1 | -34.2 | 0 | 0 | 0 | 114 | ||
| 61 | S | 80.2 | Confident | 88.8 | Confident | 111 Ų | 111 | 106.7 Ų | 106.7 | 78% | 0.776 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.1 | 73.8 | 179.5 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | Y59 | Y59-S61 PolarHBondContact O-N 2.91Å; Y59-S61 VanDerWaalsContact O-N 3.09Å |
| 62 | F | 79.3 | Confident | 89.2 | Confident | 104 Ų | 104 | 99.8 Ų | 99.8 | 46% | 0.456 | 53% | 0.525 | S | S | . | . | trans | -84.3 | 121.5 | 174.2 | -172.1 | -110.3 | 0 | 0 | 0 | 112.5 | Y59 L64 | Y59-F62 HydrophobicContact CD2-CD2 4.28Å; F62-L64 HydrophobicContact CD1-CD2 4.13Å; F62-L64 HydrophobicContact CE1-CD2 4.4Å; F62-L64 PolarHBondContact O-N 3.3Å | ||
| 63 | T | 83.9 | Confident | 89.4 | Confident | 125 Ų | 125 | 95.7 Ų | 95.7 | 77% | 0.767 | 50% | 0.502 | S | S | * | . | trans | -74.9 | 109.1 | 171.7 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 64 | L | 85.8 | Confident | 89.6 | Confident | 37 Ų | 37 | 92.5 Ų | 92.5 | 19% | 0.194 | 49% | 0.486 | C | S | . | . | trans | -61.6 | 130.6 | 179.2 | -68.7 | 171.1 | 0 | 0 | 0 | 112 | V45 V50 I53 F62 | V45-L64 HydrophobicContact CB-CD1 4.21Å; V45-L64 HydrophobicContact CG2-CD1 4.42Å; V45-L64 HydrophobicContact CG2-CD2 3.95Å; V50-L64 HydrophobicContact CG1-CD1 4.05Å; V50-L64 HydrophobicContact CG2-CD1 3.96Å; I53-L64 HydrophobicContact CG2-CD2 4.32Å; F62-L64 HydrophobicContact CD1-CD2 4.13Å; F62-L64 HydrophobicContact CE1-CD2 4.4Å; F62-L64 PolarHBondContact O-N 3.3Å | ||
| 65 | P | 90.6 | Very high | 89.9 | Confident | 63 Ų | 63 | 92.3 Ų | 92.3 | 41% | 0.409 | 48% | 0.484 | S | S | . | . | trans | -69.6 | 157.9 | 178 | 1.3 | 9.1 | 0 | 0 | 0 | 112 | I44 | I44-P65 HydrophobicContact CD1-CB 3.6Å; I44-P65 HydrophobicContact CD1-CG 3.7Å; I44-P65 WeakPolarHBondContact CG1-O 3.5Å; I44-P65 PolarHBondContact N-O 3.35Å; I44-P65 VanDerWaalsContact N-O 3.11Å | ||
| 66 | K | 94.1 | Very high | 90.2 | Very high | 116 Ų | 116 | 88.2 Ų | 88.2 | 50% | 0.504 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 139.8 | -177.4 | -64.9 | 179.2 | -176.7 | 172.2 | 0 | 111.5 | V41 R42 N43 F68 | V41-K66 HydrophobicContact CG1-CB 4.11Å; V41-K66 HydrophobicContact CG1-CD 3.92Å; V41-K66 HydrophobicContact CG1-CG 4.47Å; R42-K66 CarbonylContact O-C 3.47Å; R42-K66 WeakPolarHBondContact O-CA 3.33Å; N43-K66 WeakPolarHBondContact OD1-CE 3.44Å; N43-K66 WeakPolarHBondContact OD1-CG 3.37Å; K66-F68 HydrophobicContact CB-CE2 3.97Å; K66-F68 HydrophobicContact CB-CZ 4.01Å; K66-F68 WeakPolarHBondContact O-CD2 3.39Å; K66-F68 WeakPolarHBondContact O-CE2 3.14Å |
| 67 | L | 94.6 | Very high | 90.5 | Very high | 65 Ų | 65 | 85.1 Ų | 85.1 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.7 | 169.2 | -62.3 | 174.3 | 0 | 0 | 0 | 110.5 | V41 R42 I44 F69 | V41-L67 WeakPolarHBondContact CA-O 3.49Å; R42-L67 PolarHBondContact N-O 3.07Å; R42-L67 PolarHBondContact O-N 2.97Å; I44-L67 HydrophobicContact CB-CG 4.47Å; I44-L67 HydrophobicContact CD1-CD2 4.45Å; I44-L67 HydrophobicContact CG1-CD1 4.22Å; I44-L67 HydrophobicContact CG1-CD2 3.76Å; I44-L67 HydrophobicContact CG1-CG 3.61Å; L67-F69 HydrophobicContact CB-CD2 4.08Å; L67-F69 HydrophobicContact CB-CE2 3.5Å; L67-F69 VanDerWaalsContact CB-CE2 3.5Å; L67-F69 HydrophobicContact CB-CZ 4.04Å; L67-F69 HydrophobicContact CD1-CE2 3.75Å; L67-F69 HydrophobicContact CD1-CZ 3.98Å; L67-F69 HydrophobicContact CD2-CZ 4.45Å; L67-F69 HydrophobicContact CG-CE2 4.15Å; L67-F69 HydrophobicContact CG-CZ 4.38Å |
| 68 | F | 95.5 | Very high | 90.9 | Very high | 136 Ų | 136 | 83.2 Ų | 83.2 | 60% | 0.596 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 102.3 | 178.4 | -62.2 | -86.7 | 0 | 0 | 0 | 110 | H39 V41 K66 | H39-F68 AromaticContact CE1-CD1 3.92Å; V41-F68 HydrophobicContact CB-CE1 4.5Å; V41-F68 HydrophobicContact CG1-CD1 4.15Å; V41-F68 HydrophobicContact CG1-CE1 3.78Å; V41-F68 HydrophobicContact CG1-CZ 4.37Å; V41-F68 HydrophobicContact CG2-CD1 3.81Å; V41-F68 HydrophobicContact CG2-CE1 3.93Å; K66-F68 HydrophobicContact CB-CE2 3.97Å; K66-F68 HydrophobicContact CB-CZ 4.01Å; K66-F68 WeakPolarHBondContact O-CD2 3.39Å; K66-F68 WeakPolarHBondContact O-CE2 3.14Å |
| 69 | F | 93.7 | Very high | 91.1 | Very high | 97 Ų | 97 | 80.8 Ų | 80.8 | 43% | 0.425 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121 | 177.5 | -63.2 | -69.2 | 0 | 0 | 0 | 111.2 | H39 I40 L67 L71 | H39-F69 WeakPolarHBondContact CA-O 3.41Å; I40-F69 HydrophobicContact CB-CB 4.45Å; I40-F69 PolarHBondContact N-O 2.92Å; I40-F69 PolarHBondContact O-N 3.06Å; L67-F69 HydrophobicContact CB-CD2 4.08Å; L67-F69 HydrophobicContact CB-CE2 3.5Å; L67-F69 VanDerWaalsContact CB-CE2 3.5Å; L67-F69 HydrophobicContact CB-CZ 4.04Å; L67-F69 HydrophobicContact CD1-CE2 3.75Å; L67-F69 HydrophobicContact CD1-CZ 3.98Å; L67-F69 HydrophobicContact CD2-CZ 4.45Å; L67-F69 HydrophobicContact CG-CE2 4.15Å; L67-F69 HydrophobicContact CG-CZ 4.38Å; F69-L71 HydrophobicContact CB-CD2 4.2Å; F69-L71 HydrophobicContact CB-CG 4.22Å; F69-L71 PolarHBondContact O-N 2.92Å |
| 70 | K | 93.2 | Very high | 91.6 | Very high | 156 Ų | 156 | 81.1 Ų | 81.1 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 88.2 | 166.4 | -75.4 | 177.6 | -176.4 | 167.8 | 0 | 109.3 | ||
| 71 | L | 94.5 | Very high | 92.3 | Very high | 36 Ų | 36 | 75 Ų | 75 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 133.7 | 179.2 | -58.3 | 179.5 | 0 | 0 | 0 | 110.9 | T24 K37 K38 I40 F69 Y73 | T24-L71 HydrophobicContact CG2-CD2 4.13Å; K37-L71 WeakPolarHBondContact CA-O 3.44Å; K38-L71 HydrophobicContact CB-CB 4.48Å; K38-L71 PolarHBondContact N-O 2.77Å; K38-L71 PolarHBondContact O-N 3.14Å; I40-L71 HydrophobicContact CD1-CD1 3.44Å; I40-L71 VanDerWaalsContact CD1-CD1 3.44Å; I40-L71 HydrophobicContact CD1-CG 4.43Å; I40-L71 HydrophobicContact CG1-CD1 4.15Å; F69-L71 HydrophobicContact CB-CD2 4.2Å; F69-L71 HydrophobicContact CB-CG 4.22Å; F69-L71 PolarHBondContact O-N 2.92Å; L71-Y73 HydrophobicContact CB-CD2 4.41Å; L71-Y73 HydrophobicContact CB-CE2 3.74Å; L71-Y73 HydrophobicContact CD1-CE2 4.22Å; L71-Y73 VanDerWaalsContact CD1-OH 3.27Å; L71-Y73 WeakPolarHBondContact CD1-OH 3.44Å |
| 72 | H | 95.7 | Very high | 93 | Very high | 44 Ų | 44 | 77 Ų | 77 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 110.2 | 178.2 | -66.5 | -49.6 | 0 | 0 | 0 | 109.6 | I21 C23 T24 | I21-H72 HydrophobicContact CG2-CB 3.85Å; C23-H72 CarbonylContact C-O 3.58Å; C23-H72 VanDerWaalsContact CA-O 3.3Å; C23-H72 WeakPolarHBondContact CA-O 3.3Å; T24-H72 PolarHBondContact N-O 3.38Å; T24-H72 PolarHBondContact OG1-O 2.8Å |
| 73 | Y | 96.3 | Very high | 93.6 | Very high | 24 Ų | 24 | 74.3 Ų | 74.3 | 9% | 0.094 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 145.5 | 179.6 | -63.1 | -74 | 0 | 0 | 0 | 112.4 | N25 A35 I36 K38 L71 C77 V83 | N25-Y73 WeakPolarHBondContact OD1-CE1 3.39Å; A35-Y73 WeakPolarHBondContact CA-O 3.44Å; I36-Y73 PolarHBondContact N-O 3.32Å; I36-Y73 PolarHBondContact O-N 2.92Å; K38-Y73 HydrophobicContact CB-CE2 4.44Å; L71-Y73 HydrophobicContact CB-CD2 4.41Å; L71-Y73 HydrophobicContact CB-CE2 3.74Å; L71-Y73 HydrophobicContact CD1-CE2 4.22Å; L71-Y73 VanDerWaalsContact CD1-OH 3.27Å; L71-Y73 WeakPolarHBondContact CD1-OH 3.44Å; Y73-C77 HydrophobicContact CD1-CB 4.17Å; Y73-V83 HydrophobicContact CE2-CG2 4.35Å |
| 74 | C | 95.4 | Very high | 94 | Very high | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.027 | 36% | 0.358 | C | S | . | . | trans | -72.6 | 161.2 | 158.6 | 77.7 | 0 | 0 | 0 | 0 | 110.1 | C23 C30 S76 C77 A78 | C23-C74 HydrophobicContact CB-CB 4.14Å; C23-C74 PolarHBondContact SG-N 3.04Å; C30-C74 WeakPolarHBondContact SG-CB 3.44Å; C74-S76 VanDerWaalsContact C-N 3.26Å; C74-S76 PolarHBondContact O-N 2.75Å; C74-C77 PolarHBondContact O-N 2.98Å; C74-C77 PolarHBondContact SG-N 3.02Å; C74-C77 PolarHBondContact SG-SG 3.31Å; C74-A78 WeakPolarHBondContact O-CB 3.36Å; C74-A78 PolarHBondContact O-N 3.06Å | ||
| 75 | V | 94 | Very high | 94.3 | Very high | 63 Ų | 63 | 78 Ų | 78 | 38% | 0.382 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.6 | -37.6 | -178.1 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | K34 A78 I79 | K34-V75 HydrophobicContact CG-CG2 4.38Å; V75-A78 PolarHBondContact O-N 3.43Å; V75-I79 HydrophobicContact CG1-CD1 3.94Å; V75-I79 WeakPolarHBondContact O-CG1 3.43Å; V75-I79 PolarHBondContact O-N 3.22Å |
| 76 | S | 94.9 | Very high | 94.4 | Very high | 72 Ų | 72 | 81.7 Ų | 81.7 | 50% | 0.503 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.7 | -51.3 | 178.6 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | C74 A78 I79 H80 | C74-S76 VanDerWaalsContact C-N 3.26Å; C74-S76 PolarHBondContact O-N 2.75Å; S76-A78 VanDerWaalsContact C-N 3.3Å; S76-A78 PolarHBondContact O-N 3.15Å; S76-I79 PolarHBondContact O-N 3.04Å; S76-H80 PolarHBondContact O-N 3.49Å |
| 77 | C | 95.9 | Very high | 94.3 | Very high | 21 Ų | 21 | 81.4 Ų | 81.4 | 14% | 0.142 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 179.1 | -68 | 0 | 0 | 0 | 0 | 112.2 | C26 Y73 C74 I79 H80 S81 | C26-C77 PolarHBondContact SG-SG 3.47Å; Y73-C77 HydrophobicContact CD1-CB 4.17Å; C74-C77 PolarHBondContact O-N 2.98Å; C74-C77 PolarHBondContact SG-N 3.02Å; C74-C77 PolarHBondContact SG-SG 3.31Å; C77-I79 VanDerWaalsContact C-N 3.32Å; C77-I79 PolarHBondContact O-N 3.47Å; C77-H80 PolarHBondContact O-N 3.3Å; C77-S81 WeakPolarHBondContact O-CB 3.26Å; C77-S81 PolarHBondContact O-N 3.41Å; C77-S81 PolarHBondContact O-OG 3.04Å |
| 78 | A | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.9 | -30.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I36 C74 V75 S76 K82 V83 V84 | I36-A78 HydrophobicContact CB-CB 4.28Å; I36-A78 HydrophobicContact CD1-CB 3.16Å; I36-A78 HydrophobicContact CG1-CB 4.3Å; I36-A78 HydrophobicContact CG2-CB 4.37Å; C74-A78 WeakPolarHBondContact O-CB 3.36Å; C74-A78 PolarHBondContact O-N 3.06Å; V75-A78 PolarHBondContact O-N 3.43Å; S76-A78 VanDerWaalsContact C-N 3.3Å; S76-A78 PolarHBondContact O-N 3.15Å; A78-K82 PolarHBondContact O-N 3.36Å; A78-V83 HydrophobicContact CB-CB 4.45Å; A78-V83 PolarHBondContact O-N 3.37Å; A78-V84 HydrophobicContact CB-CG2 4.41Å; A78-V84 PolarHBondContact O-N 3.32Å; A78-V84 VanDerWaalsContact O-N 3.14Å |
| 79 | I | 95.9 | Very high | 94 | Very high | 86 Ų | 86 | 85.7 Ų | 85.7 | 44% | 0.441 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -75.1 | -45.4 | 173.9 | -66.7 | 168.9 | 0 | 0 | 0 | 109.6 | V75 S76 C77 S81 K82 | V75-I79 HydrophobicContact CG1-CD1 3.94Å; V75-I79 WeakPolarHBondContact O-CG1 3.43Å; V75-I79 PolarHBondContact O-N 3.22Å; S76-I79 PolarHBondContact O-N 3.04Å; C77-I79 VanDerWaalsContact C-N 3.32Å; C77-I79 PolarHBondContact O-N 3.47Å; I79-S81 PolarHBondContact O-N 3.19Å; I79-K82 PolarHBondContact O-N 3.46Å |
| 80 | H | 96 | Very high | 93.8 | Very high | 165 Ų | 165 | 88.7 Ų | 88.7 | 76% | 0.764 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.7 | -45.5 | 179.5 | -176.7 | 73.4 | 0 | 0 | 0 | 112.4 | S76 C77 K82 | S76-H80 PolarHBondContact O-N 3.49Å; C77-H80 PolarHBondContact O-N 3.3Å; H80-K82 PolarHBondContact O-N 3.27Å |
| 81 | S | 93.8 | Very high | 93.7 | Very high | 51 Ų | 51 | 82.7 Ų | 82.7 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 7.2 | 176.1 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | C77 I79 V83 | C77-S81 WeakPolarHBondContact O-CB 3.26Å; C77-S81 PolarHBondContact O-N 3.41Å; C77-S81 PolarHBondContact O-OG 3.04Å; I79-S81 PolarHBondContact O-N 3.19Å; S81-V83 PolarHBondContact O-N 2.89Å; S81-V83 WeakPolarHBondContact OG-CG2 3.38Å |
| 82 | K | 93.6 | Very high | 93.6 | Very high | 153 Ų | 153 | 84.5 Ų | 84.5 | 67% | 0.665 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 22 | 178.6 | -56.2 | 170.8 | -176.1 | 175.2 | 0 | 114.2 | A78 I79 H80 | A78-K82 PolarHBondContact O-N 3.36Å; I79-K82 PolarHBondContact O-N 3.46Å; H80-K82 PolarHBondContact O-N 3.27Å |
| 83 | V | 92.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 92.6 Ų | 92.6 | 28% | 0.279 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -68.9 | -37.5 | 174.5 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | I36 K38 Y73 A78 S81 | I36-V83 HydrophobicContact CG2-CG1 4.3Å; K38-V83 HydrophobicContact CD-CG1 4.08Å; Y73-V83 HydrophobicContact CE2-CG2 4.35Å; A78-V83 HydrophobicContact CB-CB 4.45Å; A78-V83 PolarHBondContact O-N 3.37Å; S81-V83 PolarHBondContact O-N 2.89Å; S81-V83 WeakPolarHBondContact OG-CG2 3.38Å |
| 84 | V | 92.7 | Very high | 92.9 | Very high | 55 Ų | 55 | 96.1 Ų | 96.1 | 33% | 0.333 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -124.4 | 140.8 | 173.7 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | I36 A78 | I36-V84 HydrophobicContact CD1-CG2 3.94Å; I36-V84 HydrophobicContact CG1-CG2 4.4Å; I36-V84 HydrophobicContact CG2-CG2 3.94Å; A78-V84 HydrophobicContact CB-CG2 4.41Å; A78-V84 PolarHBondContact O-N 3.32Å; A78-V84 VanDerWaalsContact O-N 3.14Å |
| 85 | R | 92.4 | Very high | 92.6 | Very high | 184 Ų | 184 | 105.7 Ų | 105.7 | 69% | 0.694 | 50% | 0.498 | S | S | * | . | trans | -113.8 | 158.4 | 179.2 | -63.3 | -175.4 | 176.8 | 92.6 | -1.5 | 112 | ||||
| 86 | N | 92.3 | Very high | 92.3 | Very high | 142 Ų | 142 | 109.5 Ų | 109.5 | 76% | 0.759 | 52% | 0.516 | S | S | * | . | trans | -65.4 | 137.9 | 170.8 | -78.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 87 | R | 92.7 | Very high | 91.9 | Very high | 110 Ų | 110 | 111.5 Ų | 111.5 | 42% | 0.415 | 53% | 0.527 | S | S | . | . | trans | -123.8 | 152.5 | -179.9 | -69.7 | -174.8 | -79.1 | 160.5 | -12.8 | 110.6 | A91 R92 D94 | R87-A91 HydrophobicContact CB-CB 4.42Å; R87-A91 PolarHBondContact NH1-O 3.28Å; R87-R92 HydrophobicContact CB-CG 4.04Å; R87-R92 PolarHBondContact O-NE 3.36Å; R87-R92 PolarHBondContact O-NH2 3.42Å; R87-R92 VanDerWaalsContact O-NH2 3.11Å; R87-D94 PolarHBondContact NH1-O 3.42Å | ||
| 88 | S | 93 | Very high | 91.2 | Very high | 74 Ų | 74 | 115.6 Ų | 115.6 | 52% | 0.517 | 55% | 0.553 | S | S | . | * | trans | -60 | 168.7 | 174.9 | 68.7 | 0 | 0 | 0 | 0 | 112 | E90 A91 R92 | S88-E90 VanDerWaalsContact C-N 3.29Å; S88-E90 PolarHBondContact O-N 3.38Å; S88-A91 VanDerWaalsContact OG-CB 3.26Å; S88-A91 WeakPolarHBondContact OG-CB 3.23Å; S88-A91 PolarHBondContact OG-N 2.61Å; S88-R92 WeakPolarHBondContact O-CD 3.46Å; S88-R92 WeakPolarHBondContact O-CG 3.34Å; S88-R92 PolarHBondContact O-N 3.46Å; S88-R92 PolarHBondContact O-NE 3.27Å | ||
| 89 | R | 90.1 | Very high | 90.5 | Very high | 216 Ų | 216 | 121.3 Ų | 121.3 | 82% | 0.815 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -42 | -176.5 | -174.3 | 179.1 | 178.8 | -171.9 | 1.1 | 111.7 | ||
| 90 | E | 90.4 | Very high | 89.2 | Confident | 160 Ų | 160 | 126.2 Ų | 126.2 | 75% | 0.748 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -51.8 | -178 | -69 | 163.2 | -166.7 | 0 | 0 | 111.3 | S88 R92 R93 | S88-E90 VanDerWaalsContact C-N 3.29Å; S88-E90 PolarHBondContact O-N 3.38Å; E90-R92 PolarHBondContact O-N 2.93Å; E90-R93 WeakPolarHBondContact O-CB 2.78Å; E90-R93 PolarHBondContact O-N 3.43Å |
| 91 | A | 91.6 | Very high | 87.7 | Confident | 31 Ų | 31 | 126.6 Ų | 126.6 | 26% | 0.256 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | -7.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R87 S88 R93 | R87-A91 HydrophobicContact CB-CB 4.42Å; R87-A91 PolarHBondContact NH1-O 3.28Å; S88-A91 VanDerWaalsContact OG-CB 3.26Å; S88-A91 WeakPolarHBondContact OG-CB 3.23Å; S88-A91 PolarHBondContact OG-N 2.61Å; A91-R93 VanDerWaalsContact C-N 3.32Å |
| 92 | R | 90.8 | Very high | 85.7 | Confident | 74 Ų | 74 | 128.6 Ų | 128.6 | 28% | 0.279 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | -22.5 | 170.4 | -78.6 | 165.5 | -166.1 | 174 | 9.2 | 113 | R87 S88 E90 D94 | R87-R92 HydrophobicContact CB-CG 4.04Å; R87-R92 PolarHBondContact O-NE 3.36Å; R87-R92 PolarHBondContact O-NH2 3.42Å; R87-R92 VanDerWaalsContact O-NH2 3.11Å; S88-R92 WeakPolarHBondContact O-CD 3.46Å; S88-R92 WeakPolarHBondContact O-CG 3.34Å; S88-R92 PolarHBondContact O-N 3.46Å; S88-R92 PolarHBondContact O-NE 3.27Å; E90-R92 PolarHBondContact O-N 2.93Å; R92-D94 VanDerWaalsContact C-N 3.33Å |
| 93 | R | 89.4 | Confident | 83.5 | Confident | 213 Ų | 213 | 129.8 Ų | 129.8 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -73.6 | -31.9 | 178.7 | -67.9 | -176.2 | 178.9 | -122.8 | 5.5 | 110.9 | E90 A91 R95 | E90-R93 WeakPolarHBondContact O-CB 2.78Å; E90-R93 PolarHBondContact O-N 3.43Å; A91-R93 VanDerWaalsContact C-N 3.32Å; R93-R95 WeakPolarHBondContact O-CG 3.23Å; R93-R95 PolarHBondContact O-N 2.98Å |
| 94 | D | 89.5 | Confident | 80.9 | Confident | 98 Ų | 98 | 137.8 Ų | 137.8 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | trans | -65.6 | 123.9 | 177.3 | -54.2 | -36.4 | 0 | 0 | 0 | 111 | R87 R92 | R87-D94 PolarHBondContact NH1-O 3.42Å; R92-D94 VanDerWaalsContact C-N 3.33Å | ||
| 95 | R | 87.7 | Confident | 78.2 | Confident | 206 Ų | 206 | 137.3 Ų | 137.3 | 78% | 0.777 | 66% | 0.659 | S | S | * | * | trans | -110.4 | -2.3 | -179.6 | -62.7 | -178.6 | -169.6 | 162.7 | 7.1 | 112.9 | R93 | R93-R95 WeakPolarHBondContact O-CG 3.23Å; R93-R95 PolarHBondContact O-N 2.98Å | ||
| 96 | N | 88.7 | Confident | 75.7 | Confident | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -64.4 | 133.3 | 176.7 | -65.1 | -14.1 | 0 | 0 | 0 | 108.9 | ||
| 97 | P | 85 | Confident | 73.3 | Confident | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 141.6 | 175.5 | 26.8 | -32.4 | 0 | 0 | 0 | 108.8 | ||
| 98 | P | 81.6 | Confident | 70.7 | Confident | 107 Ų | 107 | 136.7 Ų | 136.7 | 70% | 0.695 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 139.3 | 174.1 | 25.8 | -32.6 | 0 | 0 | 0 | 109.3 | R100 | P98-R100 PolarHBondContact O-N 3.48Å; P98-R100 VanDerWaalsContact O-N 3.12Å |
| 99 | P | 80.5 | Confident | 68.1 | Low | 121 Ų | 121 | 135.9 Ų | 135.9 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 118.2 | 174.1 | 24.2 | -31.5 | 0 | 0 | 0 | 108.7 | ||
| 100 | R | 69 | Low | 65.4 | Low | 188 Ų | 188 | 129 Ų | 129 | 71% | 0.709 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -78.1 | -34.9 | -178.6 | -80.9 | -173.8 | 176.5 | 168.7 | 1.5 | 112.4 | P98 | P98-R100 PolarHBondContact O-N 3.48Å; P98-R100 VanDerWaalsContact O-N 3.12Å |
| 101 | F | 65.6 | Low | 62.8 | Low | 174 Ų | 174 | 133.3 Ų | 133.3 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -92.6 | 126.8 | 174.2 | -58.8 | -73.4 | 0 | 0 | 0 | 106.2 | L103 | F101-L103 PolarHBondContact O-N 3.11Å; F101-L103 VanDerWaalsContact O-N 3.16Å |
| 102 | P | 51.6 | Low | 60.4 | Low | 92 Ų | 92 | 136.1 Ų | 136.1 | 60% | 0.597 | 71% | 0.714 | S | S | * | * | trans | -55.9 | 127.9 | 157.2 | 27.7 | -30.1 | 0 | 0 | 0 | 104.9 | R104 | P102-R104 HydrophobicContact CB-CB 3.96Å; P102-R104 HydrophobicContact CB-CG 3.94Å; P102-R104 HydrophobicContact CG-CB 4.17Å; P102-R104 HydrophobicContact CG-CG 4.48Å; P102-R104 PolarHBondContact O-N 2.87Å | ||
| 103 | L | 47.1 | Very low | 57.8 | Low | 179 Ų | 179 | 138.5 Ų | 138.5 | 94% | 0.937 | 74% | 0.739 | S | S | * | * | trans | -64.9 | 68.2 | 156.9 | -175.7 | 71.2 | 0 | 0 | 0 | 106.4 | F101 | F101-L103 PolarHBondContact O-N 3.11Å; F101-L103 VanDerWaalsContact O-N 3.16Å | ||
| 104 | R | 37.5 | Very low | 55.4 | Low | 214 Ų | 214 | 131.8 Ų | 131.8 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | trans | -106.5 | 105.6 | 172.9 | -96.7 | -173.8 | 177.9 | -133.4 | 1 | 105.4 | P102 | P102-R104 HydrophobicContact CB-CB 3.96Å; P102-R104 HydrophobicContact CB-CG 3.94Å; P102-R104 HydrophobicContact CG-CB 4.17Å; P102-R104 HydrophobicContact CG-CG 4.48Å; P102-R104 PolarHBondContact O-N 2.87Å | ||
| 105 | G | 36.2 | Very low | 52.9 | Low | 44 Ų | 44 | 136.3 Ų | 136.3 | 45% | 0.454 | 76% | 0.756 | S | S | . | * | S | Bend | trans | 99.3 | 102.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F107 | G105-F107 WeakPolarHBondContact O-CD2 3Å; G105-F107 WeakPolarHBondContact O-CE2 3.4Å; G105-F107 WeakPolarHBondContact O-CG 3.38Å; G105-F107 PolarHBondContact O-N 2.97Å |
| 106 | N | 39.4 | Very low | 50.6 | Low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | 38 | 17.8 | 126.9 | -116.1 | 39.6 | 0 | 0 | 0 | 122.8 | G108 A109 | N106-G108 PolarHBondContact O-N 3.19Å; N106-A109 WeakPolarHBondContact ND2-CB 3.18Å; N106-A109 PolarHBondContact O-N 3.25Å; N106-A109 VanDerWaalsContact O-N 3.15Å | |||
| 107 | F | 41.8 | Very low | 48.2 | Very low | 208 Ų | 208 | 133.2 Ų | 133.2 | 91% | 0.912 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 38.3 | 178 | -64.5 | -70.3 | 0 | 0 | 0 | 113.6 | G105 | G105-F107 WeakPolarHBondContact O-CD2 3Å; G105-F107 WeakPolarHBondContact O-CE2 3.4Å; G105-F107 WeakPolarHBondContact O-CG 3.38Å; G105-F107 PolarHBondContact O-N 2.97Å |
| 108 | G | 38.7 | Very low | 46 | Very low | 81 Ų | 81 | 131.4 Ų | 131.4 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.6 | -1.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N106 | N106-G108 PolarHBondContact O-N 3.19Š|
| 109 | A | 37.7 | Very low | 44 | Very low | 57 Ų | 57 | 140 Ų | 140 | 47% | 0.471 | 79% | 0.793 | S | S | . | * | S | Bend | trans | -112.4 | 103.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N106 | N106-A109 WeakPolarHBondContact ND2-CB 3.18Å; N106-A109 PolarHBondContact O-N 3.25Å; N106-A109 VanDerWaalsContact O-N 3.15Å |
| 110 | G | 33.9 | Very low | 42.2 | Very low | 71 Ų | 71 | 140.9 Ų | 140.9 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | 73.5 | 70.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | A112 | G110-A112 PolarHBondContact O-N 3.48Š| ||
| 111 | R | 36.8 | Very low | 40.8 | Very low | 251 Ų | 251 | 138.4 Ų | 138.4 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | trans | -78.2 | 77.5 | 135.9 | -72.7 | -173.3 | -174.4 | -143.2 | 1 | 106.8 | P113 | R111-P113 WeakPolarHBondContact O-CD 3.42Š| ||
| 112 | A | 39.4 | Very low | 39.4 | Very low | 90 Ų | 90 | 136.4 Ų | 136.4 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -75.7 | 118.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | G110 | G110-A112 PolarHBondContact O-N 3.48Š| ||
| 113 | P | 36.9 | Very low | 38.7 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -77.7 | 133.1 | 170.2 | 31.1 | -29.2 | 0 | 0 | 0 | 109.3 | R111 | R111-P113 WeakPolarHBondContact O-CD 3.42Š| ||
| 114 | G | 39.2 | Very low | 38.2 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 70.1 | 88.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117 | A116 | G114-A116 PolarHBondContact O-N 3.28Š| ||
| 115 | M | 36.3 | Very low | 38.3 | Very low | 192 Ų | 192 | 131.4 Ų | 131.4 | 95% | 0.946 | 80% | 0.803 | S | S | * | * | trans | -71.5 | 88.9 | 146.8 | -128.7 | 89.7 | 149.1 | 0 | 0 | 107 | M117 | M115-M117 PolarHBondContact O-N 2.79Š| ||
| 116 | A | 39.8 | Very low | 38.4 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | trans | -71.4 | 107.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | G114 G118 | G114-A116 PolarHBondContact O-N 3.28Å; A116-G118 PolarHBondContact O-N 3.21Å; A116-G118 VanDerWaalsContact O-N 3.16Å | ||
| 117 | M | 39.2 | Very low | 38.3 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 94% | 0.936 | 84% | 0.836 | S | S | * | * | trans | -63 | 110.8 | 165.7 | -86.8 | -177.5 | 156.5 | 0 | 0 | 107.9 | M115 | M115-M117 PolarHBondContact O-N 2.79Š| ||
| 118 | G | 38 | Very low | 38 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | -108.1 | 97 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A116 | A116-G118 PolarHBondContact O-N 3.21Å; A116-G118 VanDerWaalsContact O-N 3.16Å | ||
| 119 | K | 40.6 | Very low | 38 | Very low | 287 Ų | 287 | 136.6 Ų | 136.6 | 100% | 1.248 | 83% | 0.83 | S | S | * | * | trans | 172.9 | 0 | 131.9 | -96.8 | -174.4 | 180 | -175.7 | 0 | 108.6 |
Retrieved 119 of 119 residues in 91.2 ms
(Link to these results)