| 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 | 49.1 | Very low | 55.3 | Low | 241 Ų | 241 | 111.8 Ų | 111.8 | 100% | 1.187 | 59% | 0.594 | S | S | * | * | 0 | 128.9 | 0 | -79.5 | 166.8 | 163.4 | 0 | 0 | 107.9 | |||||
| 2 | K | 51.9 | Low | 55.9 | Low | 206 Ų | 206 | 107.1 Ų | 107.1 | 90% | 0.896 | 58% | 0.576 | S | S | * | * | trans | -93.6 | 111.2 | 171.7 | -78.2 | -175.6 | 177.2 | -179.2 | 0 | 106.9 | R4 | K2-R4 PolarHBondContact O-N 3.16Š| ||
| 3 | A | 52.9 | Low | 56.4 | Low | 74 Ų | 74 | 107.7 Ų | 107.7 | 61% | 0.612 | 57% | 0.573 | S | S | * | * | trans | -64.2 | 122.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q71 | A3-Q71 WeakPolarHBondContact CA-O 3.31Š| ||
| 4 | R | 51.7 | Low | 56.8 | Low | 171 Ų | 171 | 101.5 Ų | 101.5 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | trans | -101.9 | 115.9 | 170.7 | -168.3 | 177.7 | -175.7 | -179.7 | 0.5 | 108.5 | K2 Q71 | K2-R4 PolarHBondContact O-N 3.16Å; R4-Q71 HydrophobicContact CB-CB 4.22Å; R4-Q71 PolarHBondContact O-N 3.27Å | ||
| 5 | T | 51.4 | Low | 56.9 | Low | 80 Ų | 80 | 101.4 Ų | 101.4 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.7 | 172.1 | -57.4 | 0 | 0 | 0 | 0 | 109 | V7 I68 L69 | T5-V7 HydrophobicContact CG2-CG2 4.34Å; T5-I68 HydrophobicContact CG2-CG1 4.43Å; T5-I68 HydrophobicContact CG2-CG2 3.59Å; T5-L69 WeakPolarHBondContact CA-O 3.32Å |
| 6 | T | 59 | Low | 57 | Low | 50 Ų | 50 | 95.9 Ų | 95.9 | 31% | 0.307 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.6 | 165.5 | -53.6 | 0 | 0 | 0 | 0 | 108.4 | I8 I68 L69 | T6-I8 HydrophobicContact CG2-CG1 4.26Å; T6-I68 WeakPolarHBondContact O-CA 3.38Å; T6-L69 PolarHBondContact N-O 2.76Å; T6-L69 VanDerWaalsContact N-O 3.12Å; T6-L69 PolarHBondContact O-N 2.93Å |
| 7 | V | 54.7 | Low | 56.7 | Low | 67 Ų | 67 | 96.2 Ų | 96.2 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 120.6 | 171.9 | 167.1 | 0 | 0 | 0 | 0 | 107.7 | T5 Q66 V67 | T5-V7 HydrophobicContact CG2-CG2 4.34Å; V7-Q66 HydrophobicContact CG1-CG 3.8Å; V7-Q66 HydrophobicContact CG2-CG 4.43Å; V7-Q66 VanDerWaalsContact CG2-NE2 3.34Å; V7-V67 WeakPolarHBondContact CA-O 3.39Å |
| 8 | I | 56.5 | Low | 56.5 | Low | 76 Ų | 76 | 99.9 Ų | 99.9 | 39% | 0.39 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 115.2 | 170.1 | -54.6 | 173.4 | 0 | 0 | 0 | 107 | T6 V10 I65 V67 L69 | T6-I8 HydrophobicContact CG2-CG1 4.26Å; I8-V10 HydrophobicContact CG2-CG2 3.86Å; I8-V10 PolarHBondContact O-N 3.23Å; I8-I65 VanDerWaalsContact O-O 3.13Å; I8-V67 HydrophobicContact CB-CB 4.41Å; I8-V67 PolarHBondContact N-O 3.18Å; I8-V67 PolarHBondContact O-N 3.44Å; I8-V67 VanDerWaalsContact O-N 3.13Å; I8-L69 HydrophobicContact CD1-CD1 3.8Å |
| 9 | D | 59.3 | Low | 56.4 | Low | 112 Ų | 112 | 99.9 Ų | 99.9 | 60% | 0.599 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 104.6 | 172.1 | -65.6 | -38.8 | 0 | 0 | 0 | 108.5 | ||
| 10 | V | 57.6 | Low | 56.3 | Low | 75 Ų | 75 | 96.4 Ų | 96.4 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115 | 170.8 | -173 | 0 | 0 | 0 | 0 | 107 | I8 I65 | I8-V10 HydrophobicContact CG2-CG2 3.86Å; I8-V10 PolarHBondContact O-N 3.23Å; V10-I65 PolarHBondContact N-O 3.12Å; V10-I65 PolarHBondContact O-N 3.17Å |
| 11 | S | 64.2 | Low | 56.2 | Low | 78 Ų | 78 | 94.3 Ų | 94.3 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.8 | 171 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | R63 | S11-R63 VanDerWaalsContact CA-O 3.29Å; S11-R63 WeakPolarHBondContact CA-O 3.44Å |
| 12 | S | 62.5 | Low | 56.5 | Low | 55 Ų | 55 | 86.6 Ų | 86.6 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.9 | 166.9 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | I14 L62 R63 | S12-I14 PolarHBondContact O-N 3.42Å; S12-L62 WeakPolarHBondContact O-CA 3.32Å; S12-R63 PolarHBondContact N-O 3.12Å; S12-R63 PolarHBondContact O-N 3.04Å |
| 13 | E | 62.1 | Low | 56.5 | Low | 115 Ų | 115 | 81 Ų | 81 | 54% | 0.537 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 126.1 | 171.2 | -170.7 | 170.3 | 153.6 | 0 | 0 | 108.6 | R60 L62 | E13-R60 HydrophobicContact CG-CB 4.44Å; E13-R60 HydrophobicContact CG-CG 4.48Å; E13-R60 VanDerWaalsContact OE2-CD 3.31Å; E13-R60 WeakPolarHBondContact OE2-CD 3.4Å; E13-R60 IonicContact OE2-CZ 3.1Å; E13-R60 IonicContact OE2-NE 3.41Å; E13-R60 IonicContact OE2-NH1 2.74Å; E13-R60 PolarHBondContact OE2-NH1 3.18Å; E13-L62 HydrophobicContact CB-CD2 4.13Å |
| 14 | I | 62 | Low | 56.8 | Low | 21 Ų | 21 | 79.6 Ų | 79.6 | 11% | 0.108 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.2 | 174 | 59.4 | 166.4 | 0 | 0 | 0 | 108.6 | S12 C16 V54 F61 R63 | S12-I14 PolarHBondContact O-N 3.42Å; I14-C16 VanDerWaalsContact CD1-SG 3.52Å; I14-C16 PolarHBondContact O-N 3.49Å; I14-V54 HydrophobicContact CD1-CB 4.22Å; I14-V54 HydrophobicContact CD1-CG1 3.65Å; I14-V54 HydrophobicContact CD1-CG2 3.5Å; I14-V54 VanDerWaalsContact CD1-CG2 3.5Å; I14-V54 HydrophobicContact CG1-CG1 4.25Å; I14-F61 HydrophobicContact CG1-CB 3.89Å; I14-F61 WeakPolarHBondContact CG1-O 3.29Å; I14-F61 PolarHBondContact N-O 2.9Å; I14-R63 HydrophobicContact CD1-CB 4.41Å; I14-R63 HydrophobicContact CG2-CB 3.99Å |
| 15 | N | 59.2 | Low | 56.9 | Low | 100 Ų | 100 | 79.4 Ų | 79.4 | 54% | 0.535 | 44% | 0.44 | S | S | . | . | trans | -83.6 | 92.3 | 173.9 | -172.6 | -2 | 0 | 0 | 0 | 108.9 | N17 | N15-N17 VanDerWaalsContact C-N 3.28Å; N15-N17 WeakPolarHBondContact OD1-CB 3.36Å; N15-N17 PolarHBondContact OD1-N 3.34Å | ||
| 16 | C | 57.2 | Low | 56.9 | Low | 14 Ų | 14 | 80.2 Ų | 80.2 | 10% | 0.095 | 45% | 0.449 | C | S | . | . | trans | -79.5 | -13.3 | 170.4 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | I14 E18 N19 L20 F61 | I14-C16 VanDerWaalsContact CD1-SG 3.52Å; I14-C16 PolarHBondContact O-N 3.49Å; C16-E18 PolarHBondContact O-N 3.49Å; C16-N19 PolarHBondContact O-N 3.23Å; C16-L20 WeakPolarHBondContact O-CB 3.2Å; C16-L20 PolarHBondContact O-N 3.36Å; C16-F61 HydrophobicContact CB-CB 4.04Å; C16-F61 HydrophobicContact CB-CD1 4.16Å; C16-F61 HydrophobicContact CB-CD2 3.49Å; C16-F61 VanDerWaalsContact CB-CD2 3.49Å; C16-F61 HydrophobicContact CB-CE2 3.91Å; C16-F61 HydrophobicContact CB-CG 3.62Å; C16-F61 HydrophobicContact CB-CZ 4.4Å; C16-F61 WeakPolarHBondContact SG-CB 3.36Å; C16-F61 WeakPolarHBondContact SG-CG 3.26Å | ||
| 17 | N | 53.5 | Low | 56.2 | Low | 101 Ų | 101 | 81 Ų | 81 | 54% | 0.54 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.6 | -167.8 | -68.1 | -14.9 | 0 | 0 | 0 | 113.6 | N15 N19 F61 | N15-N17 VanDerWaalsContact C-N 3.28Å; N15-N17 WeakPolarHBondContact OD1-CB 3.36Å; N15-N17 PolarHBondContact OD1-N 3.34Å; N17-N19 VanDerWaalsContact C-N 3.32Å; N17-N19 PolarHBondContact O-N 2.99Å; N17-F61 WeakPolarHBondContact OD1-CE2 3.17Å |
| 18 | E | 52.5 | Low | 55.7 | Low | 163 Ų | 163 | 80.5 Ų | 80.5 | 76% | 0.762 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.9 | -179.6 | -69.1 | -175 | 160.4 | 0 | 0 | 114.1 | C16 | C16-E18 PolarHBondContact O-N 3.49Š|
| 19 | N | 54.4 | Low | 55.2 | Low | 99 Ų | 99 | 86.3 Ų | 86.3 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.5 | -5.7 | -177.1 | -138 | -18.8 | 0 | 0 | 0 | 115.3 | C16 N17 V23 | C16-N19 PolarHBondContact O-N 3.23Å; N17-N19 VanDerWaalsContact C-N 3.32Å; N17-N19 PolarHBondContact O-N 2.99Å; N19-V23 WeakPolarHBondContact O-CB 3.37Å; N19-V23 WeakPolarHBondContact O-CG2 3.3Å; N19-V23 PolarHBondContact O-N 2.9Å |
| 20 | L | 54.9 | Low | 54.8 | Low | 29 Ų | 29 | 85.6 Ų | 85.6 | 15% | 0.152 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -70.4 | -40.5 | -174 | -150.4 | 75.7 | 0 | 0 | 0 | 113 | C16 V23 I24 L35 L41 T47 F61 | C16-L20 WeakPolarHBondContact O-CB 3.2Å; C16-L20 PolarHBondContact O-N 3.36Å; L20-V23 PolarHBondContact O-N 3.28Å; L20-I24 HydrophobicContact CD2-CD1 4.25Å; L20-I24 HydrophobicContact CG-CD1 3.91Å; L20-I24 VanDerWaalsContact O-CB 3.3Å; L20-I24 WeakPolarHBondContact O-CB 3.42Å; L20-I24 WeakPolarHBondContact O-CD1 3.42Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 3.45Å; L20-L35 HydrophobicContact CD2-CD2 4.37Å; L20-L41 HydrophobicContact CD2-CD2 4.04Å; L20-L41 HydrophobicContact CD2-CG 4.41Å; L20-T47 HydrophobicContact CD1-CG2 3.56Å; L20-T47 HydrophobicContact CD2-CG2 4.05Å; L20-T47 HydrophobicContact CG-CG2 4.35Å; L20-F61 HydrophobicContact CD2-CE1 4.14Å; L20-F61 HydrophobicContact CD2-CZ 3.75Å |
| 21 | S | 54.4 | Low | 54.7 | Low | 54 Ų | 54 | 88.2 Ų | 88.2 | 38% | 0.378 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 175.1 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | V23 I24 E25 | S21-V23 PolarHBondContact O-N 3.03Å; S21-I24 PolarHBondContact O-N 3.38Å; S21-E25 WeakPolarHBondContact O-CB 3.36Å; S21-E25 VanDerWaalsContact O-CG 3.26Å; S21-E25 WeakPolarHBondContact O-CG 3.43Å; S21-E25 PolarHBondContact O-N 2.81Å |
| 22 | T | 54.1 | Low | 54.4 | Low | 79 Ų | 79 | 90.5 Ų | 90.5 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 178.8 | -47.2 | 0 | 0 | 0 | 0 | 112.4 | S26 | T22-S26 WeakPolarHBondContact O-CB 3.39Å; T22-S26 PolarHBondContact O-N 3.06Å; T22-S26 PolarHBondContact O-OG 3.04Å |
| 23 | V | 53.2 | Low | 54.4 | Low | 87 Ų | 87 | 95.7 Ų | 95.7 | 53% | 0.527 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 179 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | N19 L20 S21 S26 | N19-V23 WeakPolarHBondContact O-CB 3.37Å; N19-V23 WeakPolarHBondContact O-CG2 3.3Å; N19-V23 PolarHBondContact O-N 2.9Å; L20-V23 PolarHBondContact O-N 3.28Å; S21-V23 PolarHBondContact O-N 3.03Å; V23-S26 PolarHBondContact O-N 2.98Å; V23-S26 PolarHBondContact O-OG 3.46Å |
| 24 | I | 58 | Low | 54.5 | Low | 46 Ų | 46 | 91.4 Ų | 91.4 | 24% | 0.236 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -70.1 | -43.2 | 179.3 | -73.8 | 170.8 | 0 | 0 | 0 | 112 | L20 S21 S26 P34 L35 | L20-I24 HydrophobicContact CD2-CD1 4.25Å; L20-I24 HydrophobicContact CG-CD1 3.91Å; L20-I24 VanDerWaalsContact O-CB 3.3Å; L20-I24 WeakPolarHBondContact O-CB 3.42Å; L20-I24 WeakPolarHBondContact O-CD1 3.42Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 3.45Å; S21-I24 PolarHBondContact O-N 3.38Å; I24-S26 PolarHBondContact O-N 2.9Å; I24-P34 HydrophobicContact CB-CG 4.27Å; I24-P34 HydrophobicContact CD1-CB 4.14Å; I24-P34 HydrophobicContact CD1-CG 3.9Å; I24-P34 HydrophobicContact CG1-CG 3.98Å; I24-P34 HydrophobicContact CG2-CG 3.35Å; I24-L35 HydrophobicContact CD1-CD1 3.88Å; I24-L35 HydrophobicContact CD1-CD2 3.91Å; I24-L35 HydrophobicContact CD1-CG 3.68Å |
| 25 | E | 53.5 | Low | 54.8 | Low | 166 Ų | 166 | 91.9 Ų | 91.9 | 78% | 0.776 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -24.4 | 177.7 | -76.1 | 174.5 | -175.9 | 0 | 0 | 112.6 | S21 | S21-E25 WeakPolarHBondContact O-CB 3.36Å; S21-E25 VanDerWaalsContact O-CG 3.26Å; S21-E25 WeakPolarHBondContact O-CG 3.43Å; S21-E25 PolarHBondContact O-N 2.81Å |
| 26 | S | 51.9 | Low | 55.4 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 69% | 0.685 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -6.3 | -173.8 | 70.5 | 0 | 0 | 0 | 0 | 116.4 | T22 V23 I24 | T22-S26 WeakPolarHBondContact O-CB 3.39Å; T22-S26 PolarHBondContact O-N 3.06Å; T22-S26 PolarHBondContact O-OG 3.04Å; V23-S26 PolarHBondContact O-N 2.98Å; V23-S26 PolarHBondContact O-OG 3.46Å; I24-S26 PolarHBondContact O-N 2.9Å |
| 27 | G | 44.9 | Very low | 56.2 | Low | 66 Ų | 66 | 95.1 Ų | 95.1 | 68% | 0.68 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -170 | 25.9 | -166 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||
| 28 | G | 44 | Very low | 57.1 | Low | 56 Ų | 56 | 96 Ų | 96 | 58% | 0.577 | 54% | 0.537 | S | S | * | . | trans | -111 | 96.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N30 | G28-N30 PolarHBondContact O-N 3.19Š| ||
| 29 | H | 45.9 | Very low | 57.7 | Low | 198 Ų | 198 | 90.4 Ų | 90.4 | 92% | 0.917 | 52% | 0.523 | S | S | * | . | trans | -73.8 | 41.6 | 175.1 | -104.9 | -84.5 | 0 | 0 | 0 | 113.6 | ||||
| 30 | N | 52 | Low | 58.2 | Low | 97 Ų | 97 | 91.7 Ų | 91.7 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -126.3 | 130 | -171.4 | -53.9 | 22.8 | 0 | 0 | 0 | 107.5 | G28 E32 W45 | G28-N30 PolarHBondContact O-N 3.19Å; N30-E32 PolarHBondContact O-N 3.02Å; N30-W45 HydrophobicContact CB-CH2 4.45Å |
| 31 | S | 54.8 | Low | 58.8 | Low | 131 Ų | 131 | 91.2 Ų | 91.2 | 92% | 0.916 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -62.3 | 1.4 | 175.7 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 32 | E | 58.5 | Low | 59.5 | Low | 125 Ų | 125 | 90.2 Ų | 90.2 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -105.6 | 121.1 | -179.2 | -67.2 | 175.5 | -173.7 | 0 | 0 | 108.2 | N30 P34 W45 | N30-E32 PolarHBondContact O-N 3.02Å; E32-P34 VanDerWaalsContact O-CD 3.24Å; E32-P34 WeakPolarHBondContact O-CD 3.41Å; E32-W45 HydrophobicContact CB-CZ2 3.68Å; E32-W45 WeakPolarHBondContact O-CZ2 3.5Å |
| 33 | R | 61.6 | Low | 60.1 | Low | 164 Ų | 164 | 94.4 Ų | 94.4 | 62% | 0.619 | 53% | 0.53 | S | S | * | . | trans | -76.2 | 115.5 | 177.6 | -65.6 | 172.6 | 75.4 | -160 | -2.9 | 107.9 | L35 D37 S42 | R33-L35 WeakPolarHBondContact CB-O 3.49Å; R33-L35 PolarHBondContact O-N 3.1Å; R33-D37 IonicContact CZ-OD1 3.04Å; R33-D37 IonicContact NH1-OD1 3.57Å; R33-D37 PolarHBondContact NH1-OD1 3.22Å; R33-D37 IonicContact NH2-OD1 3.34Å; R33-D37 PolarHBondContact NH2-OD1 2.86Å; R33-D37 VanDerWaalsContact NH2-OD1 3.1Å; R33-S42 WeakPolarHBondContact O-CB 3.47Å; R33-S42 PolarHBondContact O-OG 3.2Å | ||
| 34 | P | 63.2 | Low | 60.4 | Low | 25 Ų | 25 | 94.4 Ų | 94.4 | 16% | 0.162 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -67.2 | -16.3 | 177.9 | 27.3 | -36 | 0 | 0 | 0 | 112.8 | I24 E32 L41 S42 W45 | I24-P34 HydrophobicContact CB-CG 4.27Å; I24-P34 HydrophobicContact CD1-CB 4.14Å; I24-P34 HydrophobicContact CD1-CG 3.9Å; I24-P34 HydrophobicContact CG1-CG 3.98Å; I24-P34 HydrophobicContact CG2-CG 3.35Å; E32-P34 VanDerWaalsContact O-CD 3.24Å; E32-P34 WeakPolarHBondContact O-CD 3.41Å; P34-L41 CarbonylContact O-C 3.55Å; P34-L41 VanDerWaalsContact O-CA 3.23Å; P34-L41 WeakPolarHBondContact O-CA 3.48Å; P34-S42 PolarHBondContact O-N 3.33Å; P34-W45 HydrophobicContact CB-CD2 3.52Å; P34-W45 HydrophobicContact CB-CE3 3.56Å; P34-W45 HydrophobicContact CB-CG 4.06Å; P34-W45 HydrophobicContact CB-CH2 4.05Å; P34-W45 HydrophobicContact CB-CZ2 4.04Å; P34-W45 HydrophobicContact CB-CZ3 3.84Å |
| 35 | L | 68.8 | Low | 60.5 | Low | 31 Ų | 31 | 96.2 Ų | 96.2 | 16% | 0.162 | 55% | 0.552 | C | S | . | * | B | Isolated β-bridge | trans | -113.9 | 139.4 | 172.2 | -58.3 | 175 | 0 | 0 | 0 | 111.2 | L20 I24 R33 R40 L41 | L20-L35 HydrophobicContact CD2-CD2 4.37Å; I24-L35 HydrophobicContact CD1-CD1 3.88Å; I24-L35 HydrophobicContact CD1-CD2 3.91Å; I24-L35 HydrophobicContact CD1-CG 3.68Å; R33-L35 WeakPolarHBondContact CB-O 3.49Å; R33-L35 PolarHBondContact O-N 3.1Å; L35-R40 CarbonylContact C-O 3.48Å; L35-R40 WeakPolarHBondContact CA-O 3.24Å; L35-L41 HydrophobicContact CD2-CD2 4.01Å |
| 36 | D | 71.9 | Confident | 60.8 | Low | 50 Ų | 50 | 93.4 Ų | 93.4 | 27% | 0.267 | 54% | 0.54 | S | S | . | . | trans | -70.3 | 173.7 | 166 | 80.2 | -9.3 | 0 | 0 | 0 | 110.9 | N38 G39 R40 | D36-N38 PolarHBondContact O-N 2.88Å; D36-N38 VanDerWaalsContact OD1-C 3.27Å; D36-N38 VanDerWaalsContact OD1-CA 3.26Å; D36-N38 WeakPolarHBondContact OD1-CA 3.28Å; D36-N38 VanDerWaalsContact OD1-CB 3.32Å; D36-N38 WeakPolarHBondContact OD1-CB 3.44Å; D36-N38 PolarHBondContact OD1-N 2.81Å; D36-N38 PolarHBondContact OD2-ND2 3.13Å; D36-G39 PolarHBondContact O-N 3.16Å; D36-G39 PolarHBondContact OD1-N 3.3Å; D36-R40 PolarHBondContact N-O 3.02Å; D36-R40 WeakPolarHBondContact OD1-CB 3.34Å; D36-R40 PolarHBondContact OD1-N 3.18Å | ||
| 37 | D | 75 | Confident | 61.3 | Low | 132 Ų | 132 | 89.7 Ų | 89.7 | 71% | 0.706 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -6.7 | 178.5 | -65.5 | -35.8 | 0 | 0 | 0 | 113.5 | R33 | R33-D37 IonicContact CZ-OD1 3.04Å; R33-D37 IonicContact NH1-OD1 3.57Å; R33-D37 PolarHBondContact NH1-OD1 3.22Å; R33-D37 IonicContact NH2-OD1 3.34Å; R33-D37 PolarHBondContact NH2-OD1 2.86Å; R33-D37 VanDerWaalsContact NH2-OD1 3.1Å |
| 38 | N | 70.9 | Confident | 62.1 | Low | 121 Ų | 121 | 91.8 Ų | 91.8 | 65% | 0.647 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 2.2 | 174.7 | -51.4 | -65.6 | 0 | 0 | 0 | 113.2 | D36 | D36-N38 PolarHBondContact O-N 2.88Å; D36-N38 VanDerWaalsContact OD1-C 3.27Å; D36-N38 VanDerWaalsContact OD1-CA 3.26Å; D36-N38 WeakPolarHBondContact OD1-CA 3.28Å; D36-N38 VanDerWaalsContact OD1-CB 3.32Å; D36-N38 WeakPolarHBondContact OD1-CB 3.44Å; D36-N38 PolarHBondContact OD1-N 2.81Å; D36-N38 PolarHBondContact OD2-ND2 3.13Å |
| 39 | G | 65.5 | Low | 62.9 | Low | 45 Ų | 45 | 93.2 Ų | 93.2 | 46% | 0.464 | 50% | 0.5 | S | S | . | . | S | Bend | trans | 76.7 | 19 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D36 | D36-G39 PolarHBondContact O-N 3.16Å; D36-G39 PolarHBondContact OD1-N 3.3Å |
| 40 | R | 65.6 | Low | 63.6 | Low | 125 Ų | 125 | 90.7 Ų | 90.7 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -94.1 | 150.5 | 173.2 | -63.2 | 179.9 | 175 | 138.9 | 1 | 110 | L35 D36 S42 | L35-R40 CarbonylContact C-O 3.48Å; L35-R40 WeakPolarHBondContact CA-O 3.24Å; D36-R40 PolarHBondContact N-O 3.02Å; D36-R40 WeakPolarHBondContact OD1-CB 3.34Å; D36-R40 PolarHBondContact OD1-N 3.18Å; R40-S42 PolarHBondContact O-N 3.03Å |
| 41 | L | 67.8 | Low | 63.9 | Low | 19 Ų | 19 | 89.4 Ų | 89.4 | 10% | 0.099 | 50% | 0.503 | C | S | . | . | B | Isolated β-bridge | trans | -58.2 | 130.2 | 170.2 | -68 | 174.3 | 0 | 0 | 0 | 110.1 | L20 P34 L35 W45 T47 Q56 F61 | L20-L41 HydrophobicContact CD2-CD2 4.04Å; L20-L41 HydrophobicContact CD2-CG 4.41Å; P34-L41 CarbonylContact O-C 3.55Å; P34-L41 VanDerWaalsContact O-CA 3.23Å; P34-L41 WeakPolarHBondContact O-CA 3.48Å; L35-L41 HydrophobicContact CD2-CD2 4.01Å; L41-W45 HydrophobicContact CB-CB 4.32Å; L41-W45 HydrophobicContact CD2-CB 4.11Å; L41-T47 HydrophobicContact CD1-CG2 3.85Å; L41-T47 HydrophobicContact CD2-CG2 4.06Å; L41-Q56 HydrophobicContact CD1-CB 4.24Å; L41-F61 HydrophobicContact CD1-CE1 3.6Å; L41-F61 HydrophobicContact CD1-CZ 4.38Å; L41-F61 HydrophobicContact CG-CE1 3.96Å; L41-F61 HydrophobicContact CG-CZ 4.25Å |
| 42 | S | 68.6 | Low | 64.3 | Low | 33 Ų | 33 | 86.1 Ų | 86.1 | 23% | 0.231 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 149.1 | 168 | -62 | 0 | 0 | 0 | 0 | 109.5 | R33 P34 R40 G44 W45 | R33-S42 WeakPolarHBondContact O-CB 3.47Å; R33-S42 PolarHBondContact O-OG 3.2Å; P34-S42 PolarHBondContact O-N 3.33Å; R40-S42 PolarHBondContact O-N 3.03Å; S42-G44 PolarHBondContact O-N 2.87Å; S42-W45 WeakPolarHBondContact O-CB 3.47Å; S42-W45 PolarHBondContact O-N 3.03Å; S42-W45 VanDerWaalsContact O-N 3.16Å |
| 43 | D | 65.8 | Low | 64.6 | Low | 167 Ų | 167 | 84.3 Ų | 84.3 | 89% | 0.893 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 137 | 174.9 | -71.8 | -21.6 | 0 | 0 | 0 | 110.9 | ||
| 44 | G | 60 | Low | 64.7 | Low | 87 Ų | 87 | 76.7 Ų | 76.7 | 90% | 0.897 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -7.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S42 | S42-G44 PolarHBondContact O-N 2.87Š|
| 45 | W | 61.2 | Low | 64.9 | Low | 84 Ų | 84 | 78.3 Ų | 78.3 | 32% | 0.318 | 45% | 0.446 | S | S | . | . | trans | -92.4 | 137 | 175.7 | -66.8 | 81.9 | 0 | 0 | 0 | 112.1 | N30 E32 P34 L41 S42 | N30-W45 HydrophobicContact CB-CH2 4.45Å; E32-W45 HydrophobicContact CB-CZ2 3.68Å; E32-W45 WeakPolarHBondContact O-CZ2 3.5Å; P34-W45 HydrophobicContact CB-CD2 3.52Å; P34-W45 HydrophobicContact CB-CE3 3.56Å; P34-W45 HydrophobicContact CB-CG 4.06Å; P34-W45 HydrophobicContact CB-CH2 4.05Å; P34-W45 HydrophobicContact CB-CZ2 4.04Å; P34-W45 HydrophobicContact CB-CZ3 3.84Å; L41-W45 HydrophobicContact CB-CB 4.32Å; L41-W45 HydrophobicContact CD2-CB 4.11Å; S42-W45 WeakPolarHBondContact O-CB 3.47Å; S42-W45 PolarHBondContact O-N 3.03Å; S42-W45 VanDerWaalsContact O-N 3.16Å | ||
| 46 | M | 59.8 | Low | 64.7 | Low | 108 Ų | 108 | 79 Ų | 79 | 53% | 0.532 | 45% | 0.448 | S | S | . | . | trans | -123.9 | 139.4 | 179.1 | 178 | 179.8 | 63.7 | 0 | 0 | 108.3 | L48 H53 | M46-L48 HydrophobicContact CE-CD1 4.33Å; M46-L48 HydrophobicContact CE-CD2 4.22Å; M46-L48 HydrophobicContact CE-CG 4.28Å; M46-L48 HydrophobicContact SD-CD2 4.45Å; M46-H53 PolarHBondContact SD-CD2 2.74Å; M46-H53 PolarHBondContact SD-NE2 2.83Å | ||
| 47 | T | 62.3 | Low | 64.3 | Low | 20 Ų | 20 | 80.4 Ų | 80.4 | 12% | 0.123 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.7 | 172.1 | 51.4 | 0 | 0 | 0 | 0 | 109.1 | L20 L41 V54 | L20-T47 HydrophobicContact CD1-CG2 3.56Å; L20-T47 HydrophobicContact CD2-CG2 4.05Å; L20-T47 HydrophobicContact CG-CG2 4.35Å; L41-T47 HydrophobicContact CD1-CG2 3.85Å; L41-T47 HydrophobicContact CD2-CG2 4.06Å; T47-V54 VanDerWaalsContact O-CB 3.28Å; T47-V54 WeakPolarHBondContact O-CB 3.23Å; T47-V54 PolarHBondContact O-N 3.3Å; T47-V54 VanDerWaalsContact O-N 3.13Å; T47-V54 WeakPolarHBondContact OG1-CB 3.26Å; T47-V54 WeakPolarHBondContact OG1-CG1 3.4Å |
| 48 | L | 61.3 | Low | 64 | Low | 110 Ų | 110 | 76.8 Ų | 76.8 | 58% | 0.576 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122 | 173.3 | -65.1 | 167.2 | 0 | 0 | 0 | 106.6 | M46 E52 | M46-L48 HydrophobicContact CE-CD1 4.33Å; M46-L48 HydrophobicContact CE-CD2 4.22Å; M46-L48 HydrophobicContact CE-CG 4.28Å; M46-L48 HydrophobicContact SD-CD2 4.45Å; L48-E52 WeakPolarHBondContact CA-O 3.44Å |
| 49 | Q | 59.8 | Low | 63.7 | Low | 85 Ų | 85 | 76.5 Ų | 76.5 | 40% | 0.397 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119.5 | 171.3 | -168.3 | 178.1 | 19.1 | 0 | 0 | 107.7 | G51 E52 V54 | Q49-G51 PolarHBondContact O-N 2.85Å; Q49-G51 VanDerWaalsContact O-N 3.17Å; Q49-E52 PolarHBondContact N-O 2.81Å; Q49-E52 WeakPolarHBondContact O-CB 3.17Å; Q49-E52 PolarHBondContact O-N 3.26Å; Q49-V54 HydrophobicContact CB-CG2 4.24Å |
| 50 | N | 61.5 | Low | 63.5 | Low | 145 Ų | 145 | 80.6 Ų | 80.6 | 78% | 0.775 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.3 | -178.9 | -56.1 | -30.7 | 0 | 0 | 0 | 114.4 | E52 | N50-E52 VanDerWaalsContact C-N 3.26Å; N50-E52 PolarHBondContact O-N 2.84Å |
| 51 | G | 59.2 | Low | 63.4 | Low | 71 Ų | 71 | 75 Ų | 75 | 73% | 0.732 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 1.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q49 | Q49-G51 PolarHBondContact O-N 2.85Å; Q49-G51 VanDerWaalsContact O-N 3.17Å |
| 52 | E | 61.9 | Low | 63.1 | Low | 61 Ų | 61 | 75.9 Ų | 75.9 | 29% | 0.285 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 141.1 | 175 | -61.8 | 174.5 | 133.2 | 0 | 0 | 110.8 | L48 Q49 N50 V54 R63 | L48-E52 WeakPolarHBondContact CA-O 3.44Å; Q49-E52 PolarHBondContact N-O 2.81Å; Q49-E52 WeakPolarHBondContact O-CB 3.17Å; Q49-E52 PolarHBondContact O-N 3.26Å; N50-E52 VanDerWaalsContact C-N 3.26Å; N50-E52 PolarHBondContact O-N 2.84Å; E52-V54 PolarHBondContact O-N 2.92Å; E52-R63 HydrophobicContact CB-CG 4.4Å; E52-R63 VanDerWaalsContact CD-NH1 3.34Å; E52-R63 IonicContact OE1-CZ 3.77Å; E52-R63 IonicContact OE1-NH1 3.06Å; E52-R63 PolarHBondContact OE1-NH1 3.31Å; E52-R63 WeakPolarHBondContact OE2-CD 3.49Å; E52-R63 IonicContact OE2-CZ 2.8Å; E52-R63 IonicContact OE2-NE 2.76Å; E52-R63 PolarHBondContact OE2-NE 3.44Å; E52-R63 IonicContact OE2-NH1 2.81Å; E52-R63 PolarHBondContact OE2-NH1 3.31Å; E52-R63 IonicContact OE2-NH2 3.38Å; E52-R63 PolarHBondContact OE2-NH2 3.01Å |
| 53 | H | 64.9 | Low | 62.9 | Low | 88 Ų | 88 | 77.3 Ų | 77.3 | 41% | 0.407 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 123.9 | 177.7 | -177 | -143.4 | 0 | 0 | 0 | 110.9 | M46 V55 S64 | M46-H53 PolarHBondContact SD-CD2 2.74Å; M46-H53 PolarHBondContact SD-NE2 2.83Å; H53-V55 WeakPolarHBondContact CE1-CG2 3.38Å; H53-S64 PolarHBondContact O-N 2.82Å; H53-S64 VanDerWaalsContact O-N 3.16Å |
| 54 | V | 64.5 | Low | 62.7 | Low | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.018 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.3 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | I14 T47 Q49 E52 F61 L62 | I14-V54 HydrophobicContact CD1-CB 4.22Å; I14-V54 HydrophobicContact CD1-CG1 3.65Å; I14-V54 HydrophobicContact CD1-CG2 3.5Å; I14-V54 VanDerWaalsContact CD1-CG2 3.5Å; I14-V54 HydrophobicContact CG1-CG1 4.25Å; T47-V54 VanDerWaalsContact O-CB 3.28Å; T47-V54 WeakPolarHBondContact O-CB 3.23Å; T47-V54 PolarHBondContact O-N 3.3Å; T47-V54 VanDerWaalsContact O-N 3.13Å; T47-V54 WeakPolarHBondContact OG1-CB 3.26Å; T47-V54 WeakPolarHBondContact OG1-CG1 3.4Å; Q49-V54 HydrophobicContact CB-CG2 4.24Å; E52-V54 PolarHBondContact O-N 2.92Å; V54-F61 HydrophobicContact CG1-CB 3.7Å; V54-F61 HydrophobicContact CG1-CD1 3.9Å; V54-F61 HydrophobicContact CG1-CG 4.27Å; V54-L62 WeakPolarHBondContact CA-O 3.46Å |
| 55 | V | 66 | Low | 62.6 | Low | 59 Ų | 59 | 70.6 Ų | 70.6 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.6 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | H53 L62 | H53-V55 WeakPolarHBondContact CE1-CG2 3.38Å; V55-L62 PolarHBondContact N-O 3.13Å; V55-L62 PolarHBondContact O-N 3.46Å |
| 56 | Q | 64.9 | Low | 62.4 | Low | 47 Ų | 47 | 72.3 Ų | 72.3 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 125.7 | 168.9 | -174.4 | 175.5 | -23.9 | 0 | 0 | 110.1 | L41 G58 R60 F61 | L41-Q56 HydrophobicContact CD1-CB 4.24Å; Q56-G58 PolarHBondContact NE2-O 2.98Å; Q56-R60 CarbonylContact C-O 3.56Å; Q56-R60 WeakPolarHBondContact CA-O 3.44Å; Q56-F61 HydrophobicContact CB-CD1 3.98Å; Q56-F61 HydrophobicContact CB-CE1 3.83Å; Q56-F61 HydrophobicContact CG-CD1 4.33Å; Q56-F61 HydrophobicContact CG-CE1 4.02Å; Q56-F61 HydrophobicContact CG-CZ 4.27Å |
| 57 | T | 65 | Low | 62.1 | Low | 79 Ų | 79 | 69.9 Ų | 69.9 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 100.8 | 173.4 | -58.6 | 0 | 0 | 0 | 0 | 108.4 | N59 R60 | T57-N59 PolarHBondContact O-N 3.05Å; T57-R60 PolarHBondContact N-O 3.39Å; T57-R60 PolarHBondContact O-N 3.16Å; T57-R60 VanDerWaalsContact O-N 3.12Å |
| 58 | G | 68.5 | Low | 61.6 | Low | 56 Ų | 56 | 72.4 Ų | 72.4 | 58% | 0.577 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | -112.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q56 | Q56-G58 PolarHBondContact NE2-O 2.98Š|
| 59 | N | 64.7 | Low | 61.2 | Low | 115 Ų | 115 | 71.1 Ų | 71.1 | 62% | 0.615 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 9 | 177.1 | 68 | -29.6 | 0 | 0 | 0 | 113.8 | T57 | T57-N59 PolarHBondContact O-N 3.05Š|
| 60 | R | 60 | Low | 61.1 | Low | 131 Ų | 131 | 75.3 Ų | 75.3 | 49% | 0.494 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 149.6 | -177.1 | -63.7 | 173.8 | -173.2 | -155.1 | 9.1 | 110.4 | E13 Q56 T57 | E13-R60 HydrophobicContact CG-CB 4.44Å; E13-R60 HydrophobicContact CG-CG 4.48Å; E13-R60 VanDerWaalsContact OE2-CD 3.31Å; E13-R60 WeakPolarHBondContact OE2-CD 3.4Å; E13-R60 IonicContact OE2-CZ 3.1Å; E13-R60 IonicContact OE2-NE 3.41Å; E13-R60 IonicContact OE2-NH1 2.74Å; E13-R60 PolarHBondContact OE2-NH1 3.18Å; Q56-R60 CarbonylContact C-O 3.56Å; Q56-R60 WeakPolarHBondContact CA-O 3.44Å; T57-R60 PolarHBondContact N-O 3.39Å; T57-R60 PolarHBondContact O-N 3.16Å; T57-R60 VanDerWaalsContact O-N 3.12Å |
| 61 | F | 64.4 | Low | 61 | Low | 6 Ų | 6 | 76.4 Ų | 76.4 | 3% | 0.026 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.2 | 168.7 | -66.6 | -88 | 0 | 0 | 0 | 108.3 | I14 C16 N17 L20 L41 V54 Q56 | I14-F61 HydrophobicContact CG1-CB 3.89Å; I14-F61 WeakPolarHBondContact CG1-O 3.29Å; I14-F61 PolarHBondContact N-O 2.9Å; C16-F61 HydrophobicContact CB-CB 4.04Å; C16-F61 HydrophobicContact CB-CD1 4.16Å; C16-F61 HydrophobicContact CB-CD2 3.49Å; C16-F61 VanDerWaalsContact CB-CD2 3.49Å; C16-F61 HydrophobicContact CB-CE2 3.91Å; C16-F61 HydrophobicContact CB-CG 3.62Å; C16-F61 HydrophobicContact CB-CZ 4.4Å; C16-F61 WeakPolarHBondContact SG-CB 3.36Å; C16-F61 WeakPolarHBondContact SG-CG 3.26Å; N17-F61 WeakPolarHBondContact OD1-CE2 3.17Å; L20-F61 HydrophobicContact CD2-CE1 4.14Å; L20-F61 HydrophobicContact CD2-CZ 3.75Å; L41-F61 HydrophobicContact CD1-CE1 3.6Å; L41-F61 HydrophobicContact CD1-CZ 4.38Å; L41-F61 HydrophobicContact CG-CE1 3.96Å; L41-F61 HydrophobicContact CG-CZ 4.25Å; V54-F61 HydrophobicContact CG1-CB 3.7Å; V54-F61 HydrophobicContact CG1-CD1 3.9Å; V54-F61 HydrophobicContact CG1-CG 4.27Å; Q56-F61 HydrophobicContact CB-CD1 3.98Å; Q56-F61 HydrophobicContact CB-CE1 3.83Å; Q56-F61 HydrophobicContact CG-CD1 4.33Å; Q56-F61 HydrophobicContact CG-CE1 4.02Å; Q56-F61 HydrophobicContact CG-CZ 4.27Å |
| 62 | L | 62.2 | Low | 61.1 | Low | 38 Ų | 38 | 76.7 Ų | 76.7 | 20% | 0.199 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.7 | 179.7 | -59.7 | -177.8 | 0 | 0 | 0 | 108.4 | S12 E13 V54 V55 S64 | S12-L62 WeakPolarHBondContact O-CA 3.32Å; E13-L62 HydrophobicContact CB-CD2 4.13Å; V54-L62 WeakPolarHBondContact CA-O 3.46Å; V55-L62 PolarHBondContact N-O 3.13Å; V55-L62 PolarHBondContact O-N 3.46Å; L62-S64 PolarHBondContact O-N 3.05Å |
| 63 | R | 62.5 | Low | 61.1 | Low | 64 Ų | 64 | 77.5 Ų | 77.5 | 24% | 0.242 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123.2 | 163.6 | -176.7 | -171.9 | -60.2 | -160.6 | 0.6 | 107.2 | S11 S12 I14 E52 I65 | S11-R63 VanDerWaalsContact CA-O 3.29Å; S11-R63 WeakPolarHBondContact CA-O 3.44Å; S12-R63 PolarHBondContact N-O 3.12Å; S12-R63 PolarHBondContact O-N 3.04Å; I14-R63 HydrophobicContact CD1-CB 4.41Å; I14-R63 HydrophobicContact CG2-CB 3.99Å; E52-R63 HydrophobicContact CB-CG 4.4Å; E52-R63 VanDerWaalsContact CD-NH1 3.34Å; E52-R63 IonicContact OE1-CZ 3.77Å; E52-R63 IonicContact OE1-NH1 3.06Å; E52-R63 PolarHBondContact OE1-NH1 3.31Å; E52-R63 WeakPolarHBondContact OE2-CD 3.49Å; E52-R63 IonicContact OE2-CZ 2.8Å; E52-R63 IonicContact OE2-NE 2.76Å; E52-R63 PolarHBondContact OE2-NE 3.44Å; E52-R63 IonicContact OE2-NH1 2.81Å; E52-R63 PolarHBondContact OE2-NH1 3.31Å; E52-R63 IonicContact OE2-NH2 3.38Å; E52-R63 PolarHBondContact OE2-NH2 3.01Å; R63-I65 HydrophobicContact CG-CG1 4.12Å |
| 64 | S | 61.5 | Low | 60.9 | Low | 41 Ų | 41 | 76.9 Ų | 76.9 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.7 | 172.2 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | H53 L62 | H53-S64 PolarHBondContact O-N 2.82Å; H53-S64 VanDerWaalsContact O-N 3.16Å; L62-S64 PolarHBondContact O-N 3.05Å |
| 65 | I | 58.9 | Low | 60.7 | Low | 71 Ų | 71 | 81.2 Ų | 81.2 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116.1 | 171.8 | -56.7 | 176.2 | 0 | 0 | 0 | 107.5 | I8 V10 R63 V67 | I8-I65 VanDerWaalsContact O-O 3.13Å; V10-I65 PolarHBondContact N-O 3.12Å; V10-I65 PolarHBondContact O-N 3.17Å; R63-I65 HydrophobicContact CG-CG1 4.12Å; I65-V67 HydrophobicContact CG2-CG2 4.11Å |
| 66 | Q | 57.2 | Low | 60.3 | Low | 121 Ų | 121 | 82.6 Ų | 82.6 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 110 | 172.2 | -170.6 | 173.3 | 29.9 | 0 | 0 | 109.4 | V7 | V7-Q66 HydrophobicContact CG1-CG 3.8Å; V7-Q66 HydrophobicContact CG2-CG 4.43Å; V7-Q66 VanDerWaalsContact CG2-NE2 3.34Å |
| 67 | V | 52.2 | Low | 60 | Low | 57 Ų | 57 | 85 Ų | 85 | 35% | 0.345 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.2 | 172 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | V7 I8 I65 L69 | V7-V67 WeakPolarHBondContact CA-O 3.39Å; I8-V67 HydrophobicContact CB-CB 4.41Å; I8-V67 PolarHBondContact N-O 3.18Å; I8-V67 PolarHBondContact O-N 3.44Å; I8-V67 VanDerWaalsContact O-N 3.13Å; I65-V67 HydrophobicContact CG2-CG2 4.11Å; V67-L69 HydrophobicContact CG1-CD2 4.32Å; V67-L69 HydrophobicContact CG1-CG 4.47Å |
| 68 | I | 52.5 | Low | 59.7 | Low | 73 Ų | 73 | 85.4 Ų | 85.4 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 114.1 | 173.9 | -64.7 | 170.7 | 0 | 0 | 0 | 108.8 | T5 T6 Y70 | T5-I68 HydrophobicContact CG2-CG1 4.43Å; T5-I68 HydrophobicContact CG2-CG2 3.59Å; T6-I68 WeakPolarHBondContact O-CA 3.38Å; I68-Y70 HydrophobicContact CG2-CD2 4.22Å; I68-Y70 HydrophobicContact CG2-CE1 4.22Å; I68-Y70 HydrophobicContact CG2-CE2 3.7Å |
| 69 | L | 52.7 | Low | 59 | Low | 83 Ų | 83 | 87.7 Ų | 87.7 | 44% | 0.435 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129.4 | 170.5 | -62.2 | 172.4 | 0 | 0 | 0 | 109.7 | T5 T6 I8 V67 | T5-L69 WeakPolarHBondContact CA-O 3.32Å; T6-L69 PolarHBondContact N-O 2.76Å; T6-L69 VanDerWaalsContact N-O 3.12Å; T6-L69 PolarHBondContact O-N 2.93Å; I8-L69 HydrophobicContact CD1-CD1 3.8Å; V67-L69 HydrophobicContact CG1-CD2 4.32Å; V67-L69 HydrophobicContact CG1-CG 4.47Å |
| 70 | Y | 58.6 | Low | 58.5 | Low | 173 Ų | 173 | 85.4 Ų | 85.4 | 68% | 0.678 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.8 | 169.5 | -61.8 | -85.8 | 0 | 0 | 0 | 109 | I68 | I68-Y70 HydrophobicContact CG2-CD2 4.22Å; I68-Y70 HydrophobicContact CG2-CE1 4.22Å; I68-Y70 HydrophobicContact CG2-CE2 3.7Å |
| 71 | Q | 59.6 | Low | 58.4 | Low | 167 Ų | 167 | 81.3 Ų | 81.3 | 78% | 0.78 | 39% | 0.391 | S | S | * | . | trans | -103.7 | 0 | 170.8 | -62.9 | -174.1 | -29.3 | 0 | 0 | 111.7 | A3 R4 | A3-Q71 WeakPolarHBondContact CA-O 3.31Å; R4-Q71 HydrophobicContact CB-CB 4.22Å; R4-Q71 PolarHBondContact O-N 3.27Å |
Retrieved 71 of 71 residues in 37.5 ms
(Link to these results)