| 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 | 41.6 | Very low | 48.1 | Very low | 241 Ų | 241 | 118.5 Ų | 118.5 | 100% | 1.187 | 61% | 0.606 | S | S | * | * | 0 | 118.5 | 0 | -73.6 | 174.8 | 175.3 | 0 | 0 | 108.6 | |||||
| 2 | K | 43.9 | Very low | 47.8 | Very low | 176 Ų | 176 | 124.3 Ų | 124.3 | 77% | 0.765 | 61% | 0.614 | S | S | * | * | trans | -101.2 | 111.8 | 172.8 | -68.4 | -178.8 | -179.2 | 177.2 | 0 | 108 | H4 | K2-H4 WeakPolarHBondContact CB-NE2 3.02Š| ||
| 3 | T | 45.7 | Very low | 48.4 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 48% | 0.479 | 62% | 0.615 | S | S | . | * | trans | -87.1 | 120.9 | 174.8 | -56.3 | 0 | 0 | 0 | 0 | 108.8 | F5 C18 | T3-F5 HydrophobicContact CG2-CE2 3.92Å; T3-F5 HydrophobicContact CG2-CZ 3.93Å; T3-C18 PolarHBondContact O-N 3.14Å | ||
| 4 | H | 52.7 | Low | 48.6 | Very low | 97 Ų | 97 | 121.4 Ų | 121.4 | 45% | 0.449 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.3 | 179.3 | -57.4 | 160.6 | 0 | 0 | 0 | 109.7 | K2 H17 | K2-H4 WeakPolarHBondContact CB-NE2 3.02Å; H4-H17 AromaticContact CD2-CE1 3.42Å; H4-H17 PolarHBondContact CD2-CE1 3.17Å; H4-H17 VanDerWaalsContact CD2-CE1 3.42Å; H4-H17 AromaticContact CD2-ND1 3.57Å; H4-H17 AromaticContact NE2-CE1 3.24Å; H4-H17 PolarHBondContact NE2-CE1 3.14Å; H4-H17 AromaticContact NE2-ND1 3.7Å |
| 5 | F | 54.5 | Low | 49.1 | Very low | 63 Ų | 63 | 121.5 Ų | 121.5 | 28% | 0.276 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.4 | 170.5 | -61.6 | -86.4 | 0 | 0 | 0 | 108.8 | T3 F7 L16 C18 I50 | T3-F5 HydrophobicContact CG2-CE2 3.92Å; T3-F5 HydrophobicContact CG2-CZ 3.93Å; F5-F7 HydrophobicContact CB-CD2 4.33Å; F5-F7 HydrophobicContact CB-CE2 3.59Å; F5-F7 HydrophobicContact CB-CZ 4.31Å; F5-L16 HydrophobicContact CB-CB 4.09Å; F5-L16 PolarHBondContact N-O 3.03Å; F5-L16 PolarHBondContact O-N 2.91Å; F5-C18 HydrophobicContact CE2-CB 4.09Å; F5-I50 HydrophobicContact CE2-CD1 4.26Å; F5-I50 HydrophobicContact CZ-CD1 4.02Å |
| 6 | H | 50.7 | Low | 49.5 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.9 | 175.2 | -63.4 | 156.6 | 0 | 0 | 0 | 109.7 | ||
| 7 | F | 53.3 | Low | 49.9 | Very low | 58 Ų | 58 | 110.6 Ų | 110.6 | 25% | 0.254 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.3 | 168.3 | -65.6 | -90 | 0 | 0 | 0 | 109.7 | F5 F14 L16 T46 | F5-F7 HydrophobicContact CB-CD2 4.33Å; F5-F7 HydrophobicContact CB-CE2 3.59Å; F5-F7 HydrophobicContact CB-CZ 4.31Å; F7-F14 HydrophobicContact CB-CB 4.33Å; F7-F14 PolarHBondContact N-O 3.34Å; F7-F14 PolarHBondContact O-N 2.71Å; F7-L16 HydrophobicContact CD2-CB 3.59Å; F7-L16 HydrophobicContact CD2-CD2 4.23Å; F7-L16 HydrophobicContact CE2-CB 3.41Å; F7-L16 VanDerWaalsContact CE2-CB 3.41Å; F7-L16 HydrophobicContact CE2-CD2 3.31Å; F7-L16 HydrophobicContact CE2-CG 3.94Å; F7-L16 HydrophobicContact CZ-CD2 3.82Å; F7-T46 HydrophobicContact CZ-CG2 4.25Å |
| 8 | Y | 51.7 | Low | 50.3 | Low | 150 Ų | 150 | 106.9 Ų | 106.9 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.9 | 171.2 | -64.3 | -92.5 | 0 | 0 | 0 | 108.3 | K13 | Y8-K13 HydrophobicContact CD1-CG 3.87Å; Y8-K13 HydrophobicContact CE1-CD 4.04Å; Y8-K13 VanDerWaalsContact CE1-CE 3.48Å; Y8-K13 HydrophobicContact CE1-CG 3.51Å |
| 9 | N | 37.6 | Very low | 50.9 | Low | 78 Ų | 78 | 103.8 Ų | 103.8 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 117.8 | 164 | -171.6 | 9.8 | 0 | 0 | 0 | 108.2 | S11 R12 F14 | N9-S11 PolarHBondContact O-N 3.39Å; N9-R12 PolarHBondContact N-O 2.73Å; N9-R12 PolarHBondContact O-N 3.39Å; N9-F14 HydrophobicContact CB-CD2 4.14Å; N9-F14 HydrophobicContact CB-CE2 3.67Å |
| 10 | S | 46.7 | Very low | 51.5 | Low | 114 Ų | 114 | 98.7 Ų | 98.7 | 80% | 0.797 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 37 | 61.7 | 177.9 | -62.9 | 0 | 0 | 0 | 0 | 114.3 | R12 | S10-R12 VanDerWaalsContact C-N 3.27Å; S10-R12 PolarHBondContact O-N 2.86Å |
| 11 | S | 50.2 | Low | 52.1 | Low | 127 Ų | 127 | 94.5 Ų | 94.5 | 89% | 0.888 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | -7 | 179.9 | -47.8 | 0 | 0 | 0 | 0 | 117.3 | N9 | N9-S11 PolarHBondContact O-N 3.39Š|
| 12 | R | 45.3 | Very low | 53.1 | Low | 188 Ų | 188 | 87.5 Ų | 87.5 | 71% | 0.709 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 128 | 172.4 | -72.6 | -175.4 | 172.3 | 179.4 | -1.6 | 111.2 | N9 S10 F14 | N9-R12 PolarHBondContact N-O 2.73Å; N9-R12 PolarHBondContact O-N 3.39Å; S10-R12 VanDerWaalsContact C-N 3.27Å; S10-R12 PolarHBondContact O-N 2.86Å; R12-F14 HydrophobicContact CB-CD2 4.38Å; R12-F14 HydrophobicContact CB-CE2 3.53Å; R12-F14 HydrophobicContact CB-CZ 3.87Å; R12-F14 VanDerWaalsContact O-CD2 3.28Å; R12-F14 WeakPolarHBondContact O-CD2 3.48Å; R12-F14 WeakPolarHBondContact O-CE2 3.48Å |
| 13 | K | 54.6 | Low | 53.9 | Low | 143 Ų | 143 | 85 Ų | 85 | 62% | 0.622 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 124.5 | 172.2 | -71.7 | 179 | 179.5 | 175.9 | 0 | 108.9 | Y8 | Y8-K13 HydrophobicContact CD1-CG 3.87Å; Y8-K13 HydrophobicContact CE1-CD 4.04Å; Y8-K13 VanDerWaalsContact CE1-CE 3.48Å; Y8-K13 HydrophobicContact CE1-CG 3.51Å |
| 14 | F | 51.3 | Low | 54.5 | Low | 66 Ų | 66 | 89.5 Ų | 89.5 | 29% | 0.289 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.9 | 174.8 | -63.2 | -94.5 | 0 | 0 | 0 | 109.1 | F7 N9 R12 L16 E39 | F7-F14 HydrophobicContact CB-CB 4.33Å; F7-F14 PolarHBondContact N-O 3.34Å; F7-F14 PolarHBondContact O-N 2.71Å; N9-F14 HydrophobicContact CB-CD2 4.14Å; N9-F14 HydrophobicContact CB-CE2 3.67Å; R12-F14 HydrophobicContact CB-CD2 4.38Å; R12-F14 HydrophobicContact CB-CE2 3.53Å; R12-F14 HydrophobicContact CB-CZ 3.87Å; R12-F14 VanDerWaalsContact O-CD2 3.28Å; R12-F14 WeakPolarHBondContact O-CD2 3.48Å; R12-F14 WeakPolarHBondContact O-CE2 3.48Å; F14-L16 PolarHBondContact O-N 3.09Å; F14-E39 WeakPolarHBondContact CD1-OE1 3.49Å; F14-E39 WeakPolarHBondContact CE1-OE1 3.23Å |
| 15 | F | 56.7 | Low | 54.9 | Low | 122 Ų | 122 | 91.4 Ų | 91.4 | 54% | 0.535 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 97.9 | 177.7 | -66.8 | -85 | 0 | 0 | 0 | 109.2 | H17 Y35 | F15-H17 PolarHBondContact O-N 3.31Å; F15-Y35 PolarHBondContact O-OH 2.86Å |
| 16 | L | 55.3 | Low | 55.2 | Low | 6 Ų | 6 | 88.6 Ų | 88.6 | 3% | 0.031 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 111.8 | 170.4 | -179.3 | 60.8 | 0 | 0 | 0 | 109.1 | F5 F7 F14 Y35 V43 T46 | F5-L16 HydrophobicContact CB-CB 4.09Å; F5-L16 PolarHBondContact N-O 3.03Å; F5-L16 PolarHBondContact O-N 2.91Å; F7-L16 HydrophobicContact CD2-CB 3.59Å; F7-L16 HydrophobicContact CD2-CD2 4.23Å; F7-L16 HydrophobicContact CE2-CB 3.41Å; F7-L16 VanDerWaalsContact CE2-CB 3.41Å; F7-L16 HydrophobicContact CE2-CD2 3.31Å; F7-L16 HydrophobicContact CE2-CG 3.94Å; F7-L16 HydrophobicContact CZ-CD2 3.82Å; F14-L16 PolarHBondContact O-N 3.09Å; L16-Y35 HydrophobicContact CD1-CE1 4.33Å; L16-V43 HydrophobicContact CD1-CB 4.02Å; L16-V43 HydrophobicContact CD1-CG1 3.68Å; L16-V43 HydrophobicContact CD1-CG2 3.23Å; L16-V43 HydrophobicContact CD2-CG2 4.4Å; L16-V43 HydrophobicContact CG-CG2 4.41Å; L16-T46 HydrophobicContact CD2-CG2 4.21Å |
| 17 | H | 57.1 | Low | 55.7 | Low | 53 Ų | 53 | 87.9 Ų | 87.9 | 25% | 0.245 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 131.8 | 169.6 | -78.7 | -100.8 | 0 | 0 | 0 | 110.7 | H4 F15 C19 C20 C31 | H4-H17 AromaticContact CD2-CE1 3.42Å; H4-H17 PolarHBondContact CD2-CE1 3.17Å; H4-H17 VanDerWaalsContact CD2-CE1 3.42Å; H4-H17 AromaticContact CD2-ND1 3.57Å; H4-H17 AromaticContact NE2-CE1 3.24Å; H4-H17 PolarHBondContact NE2-CE1 3.14Å; H4-H17 AromaticContact NE2-ND1 3.7Å; F15-H17 PolarHBondContact O-N 3.31Å; H17-C19 WeakPolarHBondContact CB-SG 3.1Å; H17-C19 PolarHBondContact O-N 3.42Å; H17-C20 PolarHBondContact O-N 2.97Å; H17-C20 VanDerWaalsContact O-N 3.14Å; H17-C31 HydrophobicContact CB-CB 4.04Å |
| 18 | C | 56.5 | Low | 56 | Low | 43 Ų | 43 | 91.9 Ų | 91.9 | 29% | 0.291 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -55.8 | -19.7 | 175.3 | -166 | 0 | 0 | 0 | 0 | 113.4 | T3 F5 C20 C21 | T3-C18 PolarHBondContact O-N 3.14Å; F5-C18 HydrophobicContact CE2-CB 4.09Å; C18-C20 PolarHBondContact O-N 2.81Å; C18-C20 VanDerWaalsContact O-N 3.14Å; C18-C21 WeakPolarHBondContact O-CB 3.41Å; C18-C21 PolarHBondContact O-N 3.24Å |
| 19 | C | 61.5 | Low | 56.5 | Low | 49 Ų | 49 | 85.2 Ų | 85.2 | 33% | 0.331 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -56.6 | -28.2 | 175.5 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | H17 C21 S22 I29 C31 | H17-C19 WeakPolarHBondContact CB-SG 3.1Å; H17-C19 PolarHBondContact O-N 3.42Å; C19-C21 PolarHBondContact O-N 3.43Å; C19-S22 PolarHBondContact O-N 3.45Å; C19-I29 HydrophobicContact CB-CG2 4.5Å; C19-C31 WeakPolarHBondContact CB-SG 3.41Å; C19-C31 WeakPolarHBondContact SG-CB 3.42Å; C19-C31 CovalentContact SG-SG 2.05Å; C19-C31 PolarHBondContact SG-SG 2.99Å |
| 20 | C | 62.9 | Low | 57.7 | Low | 0 Ų | 0 | 87.2 Ų | 87.2 | 0% | 0 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -63.8 | -22.9 | 174.6 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | H17 C18 L26 C32 V43 | H17-C20 PolarHBondContact O-N 2.97Å; H17-C20 VanDerWaalsContact O-N 3.14Å; C18-C20 PolarHBondContact O-N 2.81Å; C18-C20 VanDerWaalsContact O-N 3.14Å; C20-L26 HydrophobicContact CB-CD2 3.6Å; C20-L26 WeakPolarHBondContact O-CD2 3.45Å; C20-C32 WeakPolarHBondContact CA-SG 3.28Å; C20-C32 HydrophobicContact CB-CB 4.43Å; C20-C32 WeakPolarHBondContact CB-SG 3.07Å; C20-C32 WeakPolarHBondContact SG-CB 3.28Å; C20-C32 CovalentContact SG-SG 2.03Å; C20-C32 PolarHBondContact SG-SG 2.9Å; C20-V43 HydrophobicContact CB-CG1 3.6Å |
| 21 | C | 64.4 | Low | 58.4 | Low | 12 Ų | 12 | 83.2 Ų | 83.2 | 8% | 0.081 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -87.2 | -7.2 | -175.7 | -58 | 0 | 0 | 0 | 0 | 114.4 | C18 C19 C47 R51 | C18-C21 WeakPolarHBondContact O-CB 3.41Å; C18-C21 PolarHBondContact O-N 3.24Å; C19-C21 PolarHBondContact O-N 3.43Å; C21-C47 WeakPolarHBondContact CA-SG 3.31Å; C21-C47 HydrophobicContact CB-CB 3.52Å; C21-C47 WeakPolarHBondContact CB-SG 3.36Å; C21-C47 WeakPolarHBondContact SG-CA 3.23Å; C21-C47 WeakPolarHBondContact SG-CB 3.28Å; C21-C47 CovalentContact SG-SG 2.03Å; C21-C47 PolarHBondContact SG-SG 2.94Å; C21-R51 PolarHBondContact O-NE 2.94Å; C21-R51 PolarHBondContact O-NH2 2.83Å |
| 22 | S | 61.7 | Low | 58.9 | Low | 93 Ų | 93 | 77.4 Ų | 77.4 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -91.9 | -13.4 | -178.4 | -65.2 | 0 | 0 | 0 | 0 | 114 | C19 | C19-S22 PolarHBondContact O-N 3.45Š|
| 23 | F | 62.5 | Low | 59.9 | Low | 123 Ų | 123 | 76.5 Ų | 76.5 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | trans | -122.7 | 150.2 | -176.3 | -57 | -96.5 | 0 | 0 | 0 | 110.8 | K25 I29 | F23-K25 VanDerWaalsContact C-N 3.34Å; F23-I29 HydrophobicContact CB-CD1 3.62Å; F23-I29 HydrophobicContact CB-CG1 4.02Å; F23-I29 HydrophobicContact CD2-CD1 3.79Å; F23-I29 HydrophobicContact CD2-CG1 3.97Å; F23-I29 HydrophobicContact CG-CD1 4.03Å; F23-I29 HydrophobicContact CG-CG1 4.12Å | ||
| 24 | E | 57.3 | Low | 60.6 | Low | 173 Ų | 173 | 73.1 Ų | 73.1 | 81% | 0.808 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -78.3 | -21.2 | 178.3 | -66.7 | -179.3 | 93 | 0 | 0 | 112.4 | M44 | E24-M44 WeakPolarHBondContact O-CE 3.5Š|
| 25 | K | 61.9 | Low | 61.4 | Low | 138 Ų | 138 | 72 Ų | 72 | 60% | 0.6 | 39% | 0.385 | S | S | * | . | trans | -116.6 | 104.2 | -177.5 | -67.8 | 174.1 | 177.6 | 179.1 | 0 | 110.4 | F23 D27 E28 I29 | F23-K25 VanDerWaalsContact C-N 3.34Å; K25-D27 VanDerWaalsContact C-N 3.27Å; K25-D27 PolarHBondContact O-N 3.01Å; K25-E28 HydrophobicContact CB-CG 4.41Å; K25-E28 WeakPolarHBondContact CB-OE2 3.36Å; K25-E28 WeakPolarHBondContact CD-OE2 3.28Å; K25-E28 PolarHBondContact O-N 2.75Å; K25-I29 WeakPolarHBondContact O-CG1 3.38Å | ||
| 26 | L | 59.6 | Low | 62.2 | Low | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.016 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -66.6 | -25.2 | 178.9 | -69 | 174.2 | 0 | 0 | 0 | 113.6 | C20 E28 I29 C32 R40 V43 M44 | C20-L26 HydrophobicContact CB-CD2 3.6Å; C20-L26 WeakPolarHBondContact O-CD2 3.45Å; L26-E28 PolarHBondContact O-N 3.39Å; L26-I29 HydrophobicContact CD2-CD1 4Å; L26-I29 PolarHBondContact O-N 3.38Å; L26-C32 HydrophobicContact CB-CB 4.22Å; L26-C32 HydrophobicContact CD2-CB 4.15Å; L26-R40 HydrophobicContact CD1-CB 3.9Å; L26-R40 HydrophobicContact CD1-CG 4.23Å; L26-V43 HydrophobicContact CD1-CG1 4.45Å; L26-V43 HydrophobicContact CD2-CG1 4.2Å; L26-M44 HydrophobicContact CD1-CE 3.83Å; L26-M44 HydrophobicContact CD1-CG 3.57Å; L26-M44 HydrophobicContact CD1-SD 3.72Å; L26-M44 HydrophobicContact CD2-CE 4.37Å; L26-M44 HydrophobicContact CD2-SD 4.18Å; L26-M44 HydrophobicContact CG-CE 3.56Å; L26-M44 HydrophobicContact CG-CG 4.33Å; L26-M44 HydrophobicContact CG-SD 3.82Å |
| 27 | D | 61.5 | Low | 63.1 | Low | 107 Ų | 107 | 73.6 Ų | 73.6 | 57% | 0.572 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -65.1 | -24.2 | 180 | -86.8 | -60.7 | 0 | 0 | 0 | 113.3 | K25 I29 R40 | K25-D27 VanDerWaalsContact C-N 3.27Å; K25-D27 PolarHBondContact O-N 3.01Å; D27-I29 VanDerWaalsContact C-N 3.34Å; D27-R40 VanDerWaalsContact CG-NH2 3.34Å; D27-R40 IonicContact OD1-CZ 3.72Å; D27-R40 IonicContact OD1-NH1 2.94Å; D27-R40 PolarHBondContact OD1-NH1 2.95Å; D27-R40 IonicContact OD1-NH2 3.86Å; D27-R40 IonicContact OD2-CZ 3.13Å; D27-R40 IonicContact OD2-NH1 2.82Å; D27-R40 PolarHBondContact OD2-NH1 3.09Å; D27-R40 IonicContact OD2-NH2 2.61Å; D27-R40 PolarHBondContact OD2-NH2 3.39Å |
| 28 | E | 59.1 | Low | 64 | Low | 142 Ų | 142 | 78.2 Ų | 78.2 | 66% | 0.664 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -91.4 | -2.5 | -176.4 | -62.4 | -177.6 | 98.2 | 0 | 0 | 112.4 | K25 L26 P30 | K25-E28 HydrophobicContact CB-CG 4.41Å; K25-E28 WeakPolarHBondContact CB-OE2 3.36Å; K25-E28 WeakPolarHBondContact CD-OE2 3.28Å; K25-E28 PolarHBondContact O-N 2.75Å; L26-E28 PolarHBondContact O-N 3.39Å; E28-P30 WeakPolarHBondContact O-CD 3.02Å |
| 29 | I | 62.8 | Low | 64.6 | Low | 10 Ų | 10 | 78.3 Ų | 78.3 | 5% | 0.051 | 42% | 0.424 | C | S | . | . | trans | -104.2 | 115.5 | -173.6 | -46.5 | 168.7 | 0 | 0 | 0 | 108.7 | C19 F23 K25 L26 D27 C31 C32 F33 | C19-I29 HydrophobicContact CB-CG2 4.5Å; F23-I29 HydrophobicContact CB-CD1 3.62Å; F23-I29 HydrophobicContact CB-CG1 4.02Å; F23-I29 HydrophobicContact CD2-CD1 3.79Å; F23-I29 HydrophobicContact CD2-CG1 3.97Å; F23-I29 HydrophobicContact CG-CD1 4.03Å; F23-I29 HydrophobicContact CG-CG1 4.12Å; K25-I29 WeakPolarHBondContact O-CG1 3.38Å; L26-I29 HydrophobicContact CD2-CD1 4Å; L26-I29 PolarHBondContact O-N 3.38Å; D27-I29 VanDerWaalsContact C-N 3.34Å; I29-C31 HydrophobicContact CG2-CB 4.39Å; I29-C31 WeakPolarHBondContact CG2-SG 3.33Å; I29-C31 PolarHBondContact O-N 2.66Å; I29-C32 HydrophobicContact CB-CB 4.47Å; I29-C32 VanDerWaalsContact CB-SG 3.58Å; I29-C32 PolarHBondContact O-N 3.27Å; I29-F33 PolarHBondContact O-N 2.82Å | ||
| 30 | P | 62.4 | Low | 64.9 | Low | 119 Ų | 119 | 79.3 Ų | 79.3 | 77% | 0.773 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -56 | -28.4 | -178.6 | -25.4 | 32.7 | 0 | 0 | 0 | 113.6 | E28 C32 | E28-P30 WeakPolarHBondContact O-CD 3.02Å; P30-C32 VanDerWaalsContact C-N 3.3Å; P30-C32 PolarHBondContact O-N 3.06Å |
| 31 | C | 61.7 | Low | 65.3 | Low | 31 Ų | 31 | 82.1 Ų | 82.1 | 21% | 0.209 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -76.8 | -12.1 | 179.2 | 71.1 | 0 | 0 | 0 | 0 | 114.7 | H17 C19 I29 Y35 | H17-C31 HydrophobicContact CB-CB 4.04Å; C19-C31 WeakPolarHBondContact CB-SG 3.41Å; C19-C31 WeakPolarHBondContact SG-CB 3.42Å; C19-C31 CovalentContact SG-SG 2.05Å; C19-C31 PolarHBondContact SG-SG 2.99Å; I29-C31 HydrophobicContact CG2-CB 4.39Å; I29-C31 WeakPolarHBondContact CG2-SG 3.33Å; I29-C31 PolarHBondContact O-N 2.66Å; C31-Y35 VanDerWaalsContact O-CE2 3.27Å; C31-Y35 WeakPolarHBondContact O-CE2 3.47Å |
| 32 | C | 62 | Low | 65.7 | Low | 5 Ų | 5 | 85.4 Ų | 85.4 | 3% | 0.034 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -112.7 | 3.8 | 176.9 | -27.2 | 0 | 0 | 0 | 0 | 112 | C20 L26 I29 P30 Y35 | C20-C32 WeakPolarHBondContact CA-SG 3.28Å; C20-C32 HydrophobicContact CB-CB 4.43Å; C20-C32 WeakPolarHBondContact CB-SG 3.07Å; C20-C32 WeakPolarHBondContact SG-CB 3.28Å; C20-C32 CovalentContact SG-SG 2.03Å; C20-C32 PolarHBondContact SG-SG 2.9Å; L26-C32 HydrophobicContact CB-CB 4.22Å; L26-C32 HydrophobicContact CD2-CB 4.15Å; I29-C32 HydrophobicContact CB-CB 4.47Å; I29-C32 VanDerWaalsContact CB-SG 3.58Å; I29-C32 PolarHBondContact O-N 3.27Å; P30-C32 VanDerWaalsContact C-N 3.3Å; P30-C32 PolarHBondContact O-N 3.06Å; C32-Y35 VanDerWaalsContact C-CD2 3.42Å; C32-Y35 HydrophobicContact CB-CD2 4.39Å; C32-Y35 WeakPolarHBondContact O-CB 3.06Å; C32-Y35 WeakPolarHBondContact O-CD2 3.29Å; C32-Y35 PolarHBondContact O-N 3.23Å |
| 33 | F | 65.2 | Low | 66.1 | Low | 168 Ų | 168 | 81.4 Ų | 81.4 | 74% | 0.737 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 130.4 | 176.6 | -164.2 | -100 | 0 | 0 | 0 | 110.1 | I29 | I29-F33 PolarHBondContact O-N 2.82Š|
| 34 | G | 68.7 | Low | 66.6 | Low | 73 Ų | 73 | 78.7 Ų | 78.7 | 75% | 0.753 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -0.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 35 | Y | 68.9 | Low | 67.4 | Low | 42 Ų | 42 | 78 Ų | 78 | 17% | 0.165 | 41% | 0.413 | C | S | . | . | trans | -73 | 129.4 | 173.9 | -76.4 | -128.7 | 0 | 0 | 0 | 109.7 | F15 L16 C31 C32 E39 R40 V43 | F15-Y35 PolarHBondContact O-OH 2.86Å; L16-Y35 HydrophobicContact CD1-CE1 4.33Å; C31-Y35 VanDerWaalsContact O-CE2 3.27Å; C31-Y35 WeakPolarHBondContact O-CE2 3.47Å; C32-Y35 VanDerWaalsContact C-CD2 3.42Å; C32-Y35 HydrophobicContact CB-CD2 4.39Å; C32-Y35 WeakPolarHBondContact O-CB 3.06Å; C32-Y35 WeakPolarHBondContact O-CD2 3.29Å; C32-Y35 PolarHBondContact O-N 3.23Å; Y35-E39 HydrophobicContact CD1-CB 3.66Å; Y35-E39 HydrophobicContact CG-CB 4.18Å; Y35-R40 WeakPolarHBondContact O-CD 3.27Å; Y35-V43 HydrophobicContact CD1-CG2 3.84Å; Y35-V43 HydrophobicContact CE1-CG2 3.56Å | ||
| 36 | S | 72.4 | Confident | 67.9 | Low | 56 Ų | 56 | 73 Ų | 73 | 39% | 0.392 | 40% | 0.395 | S | S | . | . | trans | -63.3 | 158.5 | 170.6 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | Y38 E39 R40 | S36-Y38 PolarHBondContact O-N 3.21Å; S36-E39 WeakPolarHBondContact CB-OE2 3.16Å; S36-E39 PolarHBondContact N-OE2 2.79Å; S36-E39 PolarHBondContact O-N 3.01Å; S36-E39 WeakPolarHBondContact OG-CG 3.49Å; S36-E39 PolarHBondContact OG-N 2.9Å; S36-E39 PolarHBondContact OG-OE2 3.4Å; S36-R40 WeakPolarHBondContact O-CG 3.22Å; S36-R40 PolarHBondContact O-N 2.03Å | ||
| 37 | S | 75.7 | Confident | 68.5 | Low | 105 Ų | 105 | 73 Ų | 73 | 73% | 0.734 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -52.2 | -33.8 | 177.4 | -53.4 | 0 | 0 | 0 | 0 | 113 | A41 | S37-A41 WeakPolarHBondContact O-CB 3.16Å; S37-A41 PolarHBondContact O-N 3.47Å |
| 38 | Y | 74.5 | Confident | 68.9 | Low | 150 Ų | 150 | 70.5 Ų | 70.5 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66 | -48.4 | 173.9 | 176.9 | -95.1 | 0 | 0 | 0 | 112.5 | S36 R40 A41 K42 | S36-Y38 PolarHBondContact O-N 3.21Å; Y38-R40 VanDerWaalsContact C-N 3.34Å; Y38-A41 PolarHBondContact O-N 3Å; Y38-K42 HydrophobicContact CE1-CD 4.5Å; Y38-K42 PolarHBondContact O-N 2.77Å |
| 39 | E | 70.5 | Confident | 69.4 | Low | 45 Ų | 45 | 66.8 Ų | 66.8 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 177.8 | -68.8 | 167.8 | 105.6 | 0 | 0 | 110.5 | F14 Y35 S36 A41 K42 V43 | F14-E39 WeakPolarHBondContact CD1-OE1 3.49Å; F14-E39 WeakPolarHBondContact CE1-OE1 3.23Å; Y35-E39 HydrophobicContact CD1-CB 3.66Å; Y35-E39 HydrophobicContact CG-CB 4.18Å; S36-E39 WeakPolarHBondContact CB-OE2 3.16Å; S36-E39 PolarHBondContact N-OE2 2.79Å; S36-E39 PolarHBondContact O-N 3.01Å; S36-E39 WeakPolarHBondContact OG-CG 3.49Å; S36-E39 PolarHBondContact OG-N 2.9Å; S36-E39 PolarHBondContact OG-OE2 3.4Å; E39-A41 VanDerWaalsContact C-N 3.33Å; E39-A41 PolarHBondContact O-N 3.14Å; E39-K42 PolarHBondContact O-N 3.46Å; E39-K42 VanDerWaalsContact O-N 3.12Å; E39-V43 VanDerWaalsContact O-CG2 3.28Å; E39-V43 WeakPolarHBondContact O-CG2 3.01Å; E39-V43 PolarHBondContact O-N 3.45Å |
| 40 | R | 67.1 | Low | 69.5 | Low | 70 Ų | 70 | 67.6 Ų | 67.6 | 26% | 0.264 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 175.2 | -66.2 | 176.9 | 65.1 | 165.4 | 1.1 | 111.8 | L26 D27 Y35 S36 Y38 V43 M44 | L26-R40 HydrophobicContact CD1-CB 3.9Å; L26-R40 HydrophobicContact CD1-CG 4.23Å; D27-R40 VanDerWaalsContact CG-NH2 3.34Å; D27-R40 IonicContact OD1-CZ 3.72Å; D27-R40 IonicContact OD1-NH1 2.94Å; D27-R40 PolarHBondContact OD1-NH1 2.95Å; D27-R40 IonicContact OD1-NH2 3.86Å; D27-R40 IonicContact OD2-CZ 3.13Å; D27-R40 IonicContact OD2-NH1 2.82Å; D27-R40 PolarHBondContact OD2-NH1 3.09Å; D27-R40 IonicContact OD2-NH2 2.61Å; D27-R40 PolarHBondContact OD2-NH2 3.39Å; Y35-R40 WeakPolarHBondContact O-CD 3.27Å; S36-R40 WeakPolarHBondContact O-CG 3.22Å; S36-R40 PolarHBondContact O-N 2.03Å; Y38-R40 VanDerWaalsContact C-N 3.34Å; R40-V43 PolarHBondContact O-N 3.37Å; R40-M44 WeakPolarHBondContact O-CB 3Å; R40-M44 WeakPolarHBondContact O-CG 3.29Å; R40-M44 PolarHBondContact O-N 3.18Å |
| 41 | A | 72.6 | Confident | 69.7 | Low | 60 Ų | 60 | 67.1 Ų | 67.1 | 50% | 0.496 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S37 Y38 E39 K45 | S37-A41 WeakPolarHBondContact O-CB 3.16Å; S37-A41 PolarHBondContact O-N 3.47Å; Y38-A41 PolarHBondContact O-N 3Å; E39-A41 VanDerWaalsContact C-N 3.33Å; E39-A41 PolarHBondContact O-N 3.14Å; A41-K45 VanDerWaalsContact O-CB 3.31Å; A41-K45 WeakPolarHBondContact O-CB 3.2Å; A41-K45 PolarHBondContact O-N 3.5Å |
| 42 | K | 71.6 | Confident | 69.7 | Low | 81 Ų | 81 | 70.5 Ų | 70.5 | 35% | 0.352 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 177.1 | -170.4 | 175.7 | -178.1 | 176.8 | 0 | 111.7 | Y38 E39 K45 T46 | Y38-K42 HydrophobicContact CE1-CD 4.5Å; Y38-K42 PolarHBondContact O-N 2.77Å; E39-K42 PolarHBondContact O-N 3.46Å; E39-K42 VanDerWaalsContact O-N 3.12Å; K42-K45 PolarHBondContact O-N 3.42Å; K42-T46 WeakPolarHBondContact O-CB 3.03Å; K42-T46 PolarHBondContact O-N 3.2Å; K42-T46 PolarHBondContact O-OG1 3.5Å; K42-T46 VanDerWaalsContact O-OG1 3.14Å |
| 43 | V | 70.9 | Confident | 69.5 | Low | 8 Ų | 8 | 71.8 Ų | 71.8 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.4 | -52.7 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | L16 C20 L26 Y35 E39 R40 K45 T46 C47 | L16-V43 HydrophobicContact CD1-CB 4.02Å; L16-V43 HydrophobicContact CD1-CG1 3.68Å; L16-V43 HydrophobicContact CD1-CG2 3.23Å; L16-V43 HydrophobicContact CD2-CG2 4.4Å; L16-V43 HydrophobicContact CG-CG2 4.41Å; C20-V43 HydrophobicContact CB-CG1 3.6Å; L26-V43 HydrophobicContact CD1-CG1 4.45Å; L26-V43 HydrophobicContact CD2-CG1 4.2Å; Y35-V43 HydrophobicContact CD1-CG2 3.84Å; Y35-V43 HydrophobicContact CE1-CG2 3.56Å; E39-V43 VanDerWaalsContact O-CG2 3.28Å; E39-V43 WeakPolarHBondContact O-CG2 3.01Å; E39-V43 PolarHBondContact O-N 3.45Å; R40-V43 PolarHBondContact O-N 3.37Å; V43-K45 VanDerWaalsContact C-N 3.28Å; V43-K45 PolarHBondContact O-N 2.75Å; V43-T46 PolarHBondContact O-N 3.18Å; V43-C47 VanDerWaalsContact O-CB 3.32Å; V43-C47 WeakPolarHBondContact O-CB 3.36Å; V43-C47 PolarHBondContact O-N 3.25Å; V43-C47 PolarHBondContact O-SG 2.86Å |
| 44 | M | 72.3 | Confident | 68.7 | Low | 67 Ų | 67 | 67.5 Ų | 67.5 | 33% | 0.33 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 177.6 | -76.4 | -52.6 | -150.3 | 0 | 0 | 111.8 | E24 L26 R40 C47 A48 | E24-M44 WeakPolarHBondContact O-CE 3.5Å; L26-M44 HydrophobicContact CD1-CE 3.83Å; L26-M44 HydrophobicContact CD1-CG 3.57Å; L26-M44 HydrophobicContact CD1-SD 3.72Å; L26-M44 HydrophobicContact CD2-CE 4.37Å; L26-M44 HydrophobicContact CD2-SD 4.18Å; L26-M44 HydrophobicContact CG-CE 3.56Å; L26-M44 HydrophobicContact CG-CG 4.33Å; L26-M44 HydrophobicContact CG-SD 3.82Å; R40-M44 WeakPolarHBondContact O-CB 3Å; R40-M44 WeakPolarHBondContact O-CG 3.29Å; R40-M44 PolarHBondContact O-N 3.18Å; M44-C47 PolarHBondContact O-N 2.81Å; M44-A48 VanDerWaalsContact O-CB 3.29Å; M44-A48 WeakPolarHBondContact O-CB 3.46Å; M44-A48 PolarHBondContact O-N 3.14Å |
| 45 | K | 74.6 | Confident | 67.8 | Low | 157 Ų | 157 | 68.7 Ų | 68.7 | 68% | 0.683 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63 | -46.5 | 177.3 | -172.2 | 176 | -177.7 | 177.2 | 0 | 111.7 | A41 K42 V43 A48 S49 | A41-K45 VanDerWaalsContact O-CB 3.31Å; A41-K45 WeakPolarHBondContact O-CB 3.2Å; A41-K45 PolarHBondContact O-N 3.5Å; K42-K45 PolarHBondContact O-N 3.42Å; V43-K45 VanDerWaalsContact C-N 3.28Å; V43-K45 PolarHBondContact O-N 2.75Å; K45-A48 PolarHBondContact O-N 2.8Å; K45-S49 PolarHBondContact O-N 3Å; K45-S49 PolarHBondContact O-OG 2.81Å; K45-S49 VanDerWaalsContact O-OG 3.06Å |
| 46 | T | 72 | Confident | 66.6 | Low | 35 Ų | 35 | 70.9 Ų | 70.9 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.6 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | F7 L16 K42 V43 A48 S49 I50 | F7-T46 HydrophobicContact CZ-CG2 4.25Å; L16-T46 HydrophobicContact CD2-CG2 4.21Å; K42-T46 WeakPolarHBondContact O-CB 3.03Å; K42-T46 PolarHBondContact O-N 3.2Å; K42-T46 PolarHBondContact O-OG1 3.5Å; K42-T46 VanDerWaalsContact O-OG1 3.14Å; V43-T46 PolarHBondContact O-N 3.18Å; T46-A48 PolarHBondContact O-N 2.88Å; T46-S49 CarbonylContact O-C 3.54Å; T46-S49 WeakPolarHBondContact O-CB 3.23Å; T46-S49 PolarHBondContact O-N 3.45Å; T46-I50 HydrophobicContact CG2-CD1 3.86Å; T46-I50 HydrophobicContact CG2-CG1 4.41Å; T46-I50 VanDerWaalsContact O-CG1 3.29Å; T46-I50 WeakPolarHBondContact O-CG1 3.44Å; T46-I50 PolarHBondContact O-N 2.77Å |
| 47 | C | 72.3 | Confident | 65.4 | Low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 175.4 | -68.4 | 0 | 0 | 0 | 0 | 111.5 | C21 V43 M44 S49 I50 R51 | C21-C47 WeakPolarHBondContact CA-SG 3.31Å; C21-C47 HydrophobicContact CB-CB 3.52Å; C21-C47 WeakPolarHBondContact CB-SG 3.36Å; C21-C47 WeakPolarHBondContact SG-CA 3.23Å; C21-C47 WeakPolarHBondContact SG-CB 3.28Å; C21-C47 CovalentContact SG-SG 2.03Å; C21-C47 PolarHBondContact SG-SG 2.94Å; V43-C47 VanDerWaalsContact O-CB 3.32Å; V43-C47 WeakPolarHBondContact O-CB 3.36Å; V43-C47 PolarHBondContact O-N 3.25Å; V43-C47 PolarHBondContact O-SG 2.86Å; M44-C47 PolarHBondContact O-N 2.81Å; C47-S49 VanDerWaalsContact C-N 3.35Å; C47-I50 PolarHBondContact O-N 2.05Å; C47-R51 WeakPolarHBondContact O-CB 3.32Å; C47-R51 VanDerWaalsContact O-CG 3.31Å; C47-R51 WeakPolarHBondContact O-CG 3.29Å; C47-R51 PolarHBondContact O-N 2.03Å |
| 48 | A | 70.8 | Confident | 64 | Low | 55 Ų | 55 | 73.7 Ų | 73.7 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M44 K45 T46 I50 R51 N52 | M44-A48 VanDerWaalsContact O-CB 3.29Å; M44-A48 WeakPolarHBondContact O-CB 3.46Å; M44-A48 PolarHBondContact O-N 3.14Å; K45-A48 PolarHBondContact O-N 2.8Å; T46-A48 PolarHBondContact O-N 2.88Å; A48-I50 PolarHBondContact O-N 3.14Å; A48-R51 PolarHBondContact O-N 3.15Å; A48-N52 WeakPolarHBondContact O-CB 3.28Å; A48-N52 PolarHBondContact O-N 3.06Å |
| 49 | S | 67.9 | Low | 62.5 | Low | 64 Ų | 64 | 73.9 Ų | 73.9 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 173.8 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | K45 T46 C47 S53 | K45-S49 PolarHBondContact O-N 3Å; K45-S49 PolarHBondContact O-OG 2.81Å; K45-S49 VanDerWaalsContact O-OG 3.06Å; T46-S49 CarbonylContact O-C 3.54Å; T46-S49 WeakPolarHBondContact O-CB 3.23Å; T46-S49 PolarHBondContact O-N 3.45Å; C47-S49 VanDerWaalsContact C-N 3.35Å; S49-S53 VanDerWaalsContact O-CB 3.23Å; S49-S53 WeakPolarHBondContact O-CB 3.33Å; S49-S53 PolarHBondContact O-N 3.46Å; S49-S53 PolarHBondContact O-OG 2.65Å |
| 50 | I | 66.2 | Low | 61.2 | Low | 27 Ų | 27 | 81.7 Ų | 81.7 | 14% | 0.138 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.5 | -46.5 | 176.3 | -67.6 | 165.4 | 0 | 0 | 0 | 110.4 | F5 T46 C47 A48 N52 S53 N54 | F5-I50 HydrophobicContact CE2-CD1 4.26Å; F5-I50 HydrophobicContact CZ-CD1 4.02Å; T46-I50 HydrophobicContact CG2-CD1 3.86Å; T46-I50 HydrophobicContact CG2-CG1 4.41Å; T46-I50 VanDerWaalsContact O-CG1 3.29Å; T46-I50 WeakPolarHBondContact O-CG1 3.44Å; T46-I50 PolarHBondContact O-N 2.77Å; C47-I50 PolarHBondContact O-N 2.05Å; A48-I50 PolarHBondContact O-N 3.14Å; I50-N52 VanDerWaalsContact C-N 3.34Å; I50-N52 PolarHBondContact O-N 3.42Å; I50-S53 CarbonylContact O-C 3.49Å; I50-S53 PolarHBondContact O-N 3.25Å; I50-N54 WeakPolarHBondContact O-CB 3.38Å; I50-N54 VanDerWaalsContact O-CG 3.27Å; I50-N54 PolarHBondContact O-N 3.45Å |
| 51 | R | 65.8 | Low | 59.6 | Low | 109 Ų | 109 | 88 Ų | 88 | 41% | 0.411 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 175.2 | -72.2 | -176.9 | -156.7 | 169.1 | 7.9 | 110 | C21 C47 A48 S53 N54 V55 | C21-R51 PolarHBondContact O-NE 2.94Å; C21-R51 PolarHBondContact O-NH2 2.83Å; C47-R51 WeakPolarHBondContact O-CB 3.32Å; C47-R51 VanDerWaalsContact O-CG 3.31Å; C47-R51 WeakPolarHBondContact O-CG 3.29Å; C47-R51 PolarHBondContact O-N 2.03Å; A48-R51 PolarHBondContact O-N 3.15Å; R51-S53 VanDerWaalsContact C-N 3.35Å; R51-S53 PolarHBondContact O-N 2.74Å; R51-N54 CarbonylContact O-C 3.58Å; R51-N54 PolarHBondContact O-N 2.81Å; R51-N54 VanDerWaalsContact O-N 3.09Å; R51-V55 VanDerWaalsContact O-CG2 3.28Å; R51-V55 WeakPolarHBondContact O-CG2 3.5Å; R51-V55 PolarHBondContact O-N 2.79Å |
| 52 | N | 62.8 | Low | 57.9 | Low | 102 Ų | 102 | 92.3 Ų | 92.3 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 175.6 | -165.2 | 33.4 | 0 | 0 | 0 | 111.9 | A48 I50 N54 V55 L56 | A48-N52 WeakPolarHBondContact O-CB 3.28Å; A48-N52 PolarHBondContact O-N 3.06Å; I50-N52 VanDerWaalsContact C-N 3.34Å; I50-N52 PolarHBondContact O-N 3.42Å; N52-N54 VanDerWaalsContact C-N 3.27Å; N52-N54 PolarHBondContact O-N 2.88Å; N52-V55 PolarHBondContact O-N 3.32Å; N52-L56 WeakPolarHBondContact O-CB 3.49Å; N52-L56 VanDerWaalsContact O-CG 3.28Å; N52-L56 WeakPolarHBondContact O-CG 3.42Å; N52-L56 PolarHBondContact O-N 3.35Å |
| 53 | S | 56 | Low | 56.3 | Low | 33 Ų | 33 | 91.6 Ų | 91.6 | 23% | 0.231 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -67.7 | -26.3 | 174.5 | -57.8 | 0 | 0 | 0 | 0 | 112.8 | S49 I50 R51 K57 | S49-S53 VanDerWaalsContact O-CB 3.23Å; S49-S53 WeakPolarHBondContact O-CB 3.33Å; S49-S53 PolarHBondContact O-N 3.46Å; S49-S53 PolarHBondContact O-OG 2.65Å; I50-S53 CarbonylContact O-C 3.49Å; I50-S53 PolarHBondContact O-N 3.25Å; R51-S53 VanDerWaalsContact C-N 3.35Å; R51-S53 PolarHBondContact O-N 2.74Å; S53-K57 WeakPolarHBondContact O-CD 3.4Å; S53-K57 VanDerWaalsContact O-CG 3.23Å; S53-K57 WeakPolarHBondContact O-CG 3.43Å; S53-K57 PolarHBondContact O-N 3.45Å |
| 54 | N | 50.1 | Low | 55 | Low | 78 Ų | 78 | 95.9 Ų | 95.9 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -84.6 | -34.5 | 176.4 | -74.5 | -4.7 | 0 | 0 | 0 | 111.8 | I50 R51 N52 L56 K57 D58 | I50-N54 WeakPolarHBondContact O-CB 3.38Å; I50-N54 VanDerWaalsContact O-CG 3.27Å; I50-N54 PolarHBondContact O-N 3.45Å; R51-N54 CarbonylContact O-C 3.58Å; R51-N54 PolarHBondContact O-N 2.81Å; R51-N54 VanDerWaalsContact O-N 3.09Å; N52-N54 VanDerWaalsContact C-N 3.27Å; N52-N54 PolarHBondContact O-N 2.88Å; N54-L56 VanDerWaalsContact C-N 3.25Å; N54-L56 PolarHBondContact O-N 2.87Å; N54-K57 WeakPolarHBondContact O-CA 3.31Å; N54-K57 WeakPolarHBondContact O-CB 3.22Å; N54-K57 PolarHBondContact O-N 3.38Å; N54-D58 PolarHBondContact O-N 3.12Å |
| 55 | V | 48.2 | Very low | 53.8 | Low | 97 Ų | 97 | 97.7 Ų | 97.7 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.4 | -39.3 | 168.2 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | R51 N52 K57 | R51-V55 VanDerWaalsContact O-CG2 3.28Å; R51-V55 WeakPolarHBondContact O-CG2 3.5Å; R51-V55 PolarHBondContact O-N 2.79Å; N52-V55 PolarHBondContact O-N 3.32Å; V55-K57 VanDerWaalsContact C-N 3.26Å; V55-K57 PolarHBondContact O-N 3.34Å |
| 56 | L | 45.2 | Very low | 52.5 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.9 | -12.3 | 171.5 | -67.2 | 168.1 | 0 | 0 | 0 | 114.3 | N52 N54 R61 | N52-L56 WeakPolarHBondContact O-CB 3.49Å; N52-L56 VanDerWaalsContact O-CG 3.28Å; N52-L56 WeakPolarHBondContact O-CG 3.42Å; N52-L56 PolarHBondContact O-N 3.35Å; N54-L56 VanDerWaalsContact C-N 3.25Å; N54-L56 PolarHBondContact O-N 2.87Å; L56-R61 WeakPolarHBondContact O-CB 3.34Å |
| 57 | K | 45.7 | Very low | 51 | Low | 63 Ų | 63 | 99.9 Ų | 99.9 | 27% | 0.274 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -92.3 | -26.8 | 175.5 | -81 | 168.4 | -175.6 | -172.1 | 0 | 113.2 | S53 N54 V55 E59 K60 R61 V63 | S53-K57 WeakPolarHBondContact O-CD 3.4Å; S53-K57 VanDerWaalsContact O-CG 3.23Å; S53-K57 WeakPolarHBondContact O-CG 3.43Å; S53-K57 PolarHBondContact O-N 3.45Å; N54-K57 WeakPolarHBondContact O-CA 3.31Å; N54-K57 WeakPolarHBondContact O-CB 3.22Å; N54-K57 PolarHBondContact O-N 3.38Å; V55-K57 VanDerWaalsContact C-N 3.26Å; V55-K57 PolarHBondContact O-N 3.34Å; K57-E59 PolarHBondContact O-N 3.31Å; K57-K60 PolarHBondContact O-N 2.93Å; K57-R61 WeakPolarHBondContact CG-O 3.35Å; K57-V63 WeakPolarHBondContact CE-O 2.97Å; K57-V63 HydrophobicContact CG-CG2 4.45Å; K57-V63 PolarHBondContact NZ-O 2.97Å |
| 58 | D | 47.3 | Very low | 49.2 | Very low | 157 Ų | 157 | 105.4 Ų | 105.4 | 84% | 0.84 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.8 | -24.8 | 171.4 | -124.1 | -106.3 | 0 | 0 | 0 | 110.8 | N54 K60 | N54-D58 PolarHBondContact O-N 3.12Å; D58-K60 PolarHBondContact O-N 3.32Å |
| 59 | E | 42.6 | Very low | 48 | Very low | 154 Ų | 154 | 114.4 Ų | 114.4 | 72% | 0.72 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 65.6 | 161.7 | -71.2 | -162.5 | 92.5 | 0 | 0 | 112.7 | K57 R61 | K57-E59 PolarHBondContact O-N 3.31Å; E59-R61 PolarHBondContact O-N 2.9Å |
| 60 | K | 44 | Very low | 46.5 | Very low | 209 Ų | 209 | 118.2 Ų | 118.2 | 91% | 0.909 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50 | 12.2 | 163.6 | -68.5 | -173.9 | 178.4 | -179.2 | 0 | 118.6 | K57 D58 | K57-K60 PolarHBondContact O-N 2.93Å; D58-K60 PolarHBondContact O-N 3.32Å |
| 61 | R | 33.8 | Very low | 44.9 | Very low | 202 Ų | 202 | 122.5 Ų | 122.5 | 76% | 0.762 | 63% | 0.633 | S | S | * | * | trans | -114.4 | 90.9 | -175.3 | -125.2 | 179.8 | -159.9 | -175.8 | 7 | 111 | L56 K57 E59 V63 | L56-R61 WeakPolarHBondContact O-CB 3.34Å; K57-R61 WeakPolarHBondContact CG-O 3.35Å; E59-R61 PolarHBondContact O-N 2.9Å; R61-V63 VanDerWaalsContact C-N 3.33Å; R61-V63 PolarHBondContact O-N 3.31Å | ||
| 62 | I | 36.1 | Very low | 43.7 | Very low | 150 Ų | 150 | 122.8 Ų | 122.8 | 77% | 0.769 | 65% | 0.647 | S | S | * | * | trans | -60.5 | 92 | 172.6 | -60.5 | 165.2 | 0 | 0 | 0 | 108.9 | T64 | I62-T64 PolarHBondContact O-N 3.35Å; I62-T64 VanDerWaalsContact O-N 3.09Å | ||
| 63 | V | 38.9 | Very low | 42.2 | Very low | 66 Ų | 66 | 125.5 Ų | 125.5 | 40% | 0.4 | 66% | 0.661 | S | S | . | * | trans | -71.9 | 98.8 | 162.7 | -170.7 | 0 | 0 | 0 | 0 | 106.8 | K57 R61 L65 | K57-V63 WeakPolarHBondContact CE-O 2.97Å; K57-V63 HydrophobicContact CG-CG2 4.45Å; K57-V63 PolarHBondContact NZ-O 2.97Å; R61-V63 VanDerWaalsContact C-N 3.33Å; R61-V63 PolarHBondContact O-N 3.31Å; V63-L65 PolarHBondContact O-N 3.39Å | ||
| 64 | T | 42.9 | Very low | 41.3 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 61% | 0.607 | 71% | 0.708 | S | S | * | * | trans | -60.4 | 95.3 | 174.1 | -55.4 | 0 | 0 | 0 | 0 | 109.2 | I62 H66 | I62-T64 PolarHBondContact O-N 3.35Å; I62-T64 VanDerWaalsContact O-N 3.09Å; T64-H66 PolarHBondContact O-N 3.06Å | ||
| 65 | L | 46.9 | Very low | 40.8 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | trans | -80.5 | 106.5 | 166.6 | -80.1 | 163.4 | 0 | 0 | 0 | 106.6 | V63 G67 | V63-L65 PolarHBondContact O-N 3.39Å; L65-G67 VanDerWaalsContact C-N 3.27Å; L65-G67 PolarHBondContact O-N 2.94Å | ||
| 66 | H | 47.3 | Very low | 40.4 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | -65.1 | 89.9 | 169.3 | -86.6 | -107.5 | 0 | 0 | 0 | 108.9 | T64 S68 | T64-H66 PolarHBondContact O-N 3.06Å; H66-S68 PolarHBondContact O-N 3.01Å | ||
| 67 | G | 39.6 | Very low | 40.2 | Very low | 67 Ų | 67 | 144.3 Ų | 144.3 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | -74.7 | 108.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108 | L65 R69 | L65-G67 VanDerWaalsContact C-N 3.27Å; L65-G67 PolarHBondContact O-N 2.94Å; G67-R69 PolarHBondContact O-N 3.31Å | ||
| 68 | S | 35.9 | Very low | 39.8 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -64.3 | 98.6 | 170.6 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | H66 N70 | H66-S68 PolarHBondContact O-N 3.01Å; S68-N70 VanDerWaalsContact C-N 3.31Å; S68-N70 PolarHBondContact O-N 3.47Å | ||
| 69 | R | 44.7 | Very low | 39.4 | Very low | 244 Ų | 244 | 148.6 Ų | 148.6 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -68.7 | 92.4 | 161.9 | -98.8 | -179.5 | 174.2 | 167.4 | -1.9 | 107.2 | G67 S71 | G67-R69 PolarHBondContact O-N 3.31Å; R69-S71 VanDerWaalsContact C-N 3.34Å; R69-S71 PolarHBondContact O-N 2.94Å; R69-S71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | N | 36.9 | Very low | 39.2 | Very low | 145 Ų | 145 | 148.3 Ų | 148.3 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -79.4 | 92.8 | 162.7 | -126.8 | 47.8 | 0 | 0 | 0 | 107.7 | S68 T72 | S68-N70 VanDerWaalsContact C-N 3.31Å; S68-N70 PolarHBondContact O-N 3.47Å; N70-T72 PolarHBondContact O-N 2.61Å | ||
| 71 | S | 33.4 | Very low | 38.8 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -69.9 | 98.6 | 167.5 | -173.6 | 0 | 0 | 0 | 0 | 107.5 | R69 | R69-S71 VanDerWaalsContact C-N 3.34Å; R69-S71 PolarHBondContact O-N 2.94Å; R69-S71 VanDerWaalsContact O-N 3.14Å | ||
| 72 | T | 39.2 | Very low | 39.2 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | -99.9 | 107.6 | 167.6 | -30.2 | 0 | 0 | 0 | 0 | 106.1 | N70 Q74 | N70-T72 PolarHBondContact O-N 2.61Å; T72-Q74 PolarHBondContact O-N 2.82Å; T72-Q74 VanDerWaalsContact O-N 3.14Å | ||
| 73 | N | 32.1 | Very low | 39.5 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -67.9 | 98.4 | 172.1 | -166.4 | 23.2 | 0 | 0 | 0 | 108 | ||||
| 74 | Q | 36 | Very low | 39.5 | Very low | 260 Ų | 260 | 145.2 Ų | 145.2 | 100% | 1.215 | 79% | 0.794 | S | S | * | * | trans | -150.8 | 0 | 146.8 | -80.4 | -160.6 | -1.2 | 0 | 0 | 108.3 | T72 | T72-Q74 PolarHBondContact O-N 2.82Å; T72-Q74 VanDerWaalsContact O-N 3.14Å |
Retrieved 74 of 74 residues in 20.4 ms
(Link to these results)