| 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 | 46.9 | Very low | 68.3 | Low | 24 Ų | 24 | 54 Ų | 54 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | 0 | 158.2 | 0 | -164.3 | -165.8 | 160.9 | 0 | 0 | 108.6 | C4 F607 E608 C611 H644 C645 S648 | M1-C4 HydrophobicContact CE-CB 3.63Å; M1-C4 HydrophobicContact SD-CB 4.09Å; M1-F607 HydrophobicContact CB-CZ 4.19Å; M1-F607 HydrophobicContact CE-CE1 4.09Å; M1-F607 HydrophobicContact CG-CE1 3.66Å; M1-F607 HydrophobicContact CG-CZ 3.64Å; M1-F607 HydrophobicContact SD-CE1 3.75Å; M1-F607 HydrophobicContact SD-CZ 4.3Å; M1-E608 WeakPolarHBondContact CE-OE1 3.29Å; M1-C611 HydrophobicContact CB-CB 4.48Å; M1-C611 HydrophobicContact SD-CB 4.46Å; M1-H644 PolarHBondContact N-O 3.28Å; M1-C645 PolarHBondContact N-SG 2.78Å; M1-S648 PolarHBondContact N-OG 2.82Å; M1-S648 PolarHBondContact O-OG 3.42Å | |||
| 2 | A | 51.8 | Low | 70.1 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | -57.6 | 147.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | C4 T118 L120 | A2-C4 PolarHBondContact O-N 3.19Å; A2-T118 CarbonylContact C-O 3.57Å; A2-T118 VanDerWaalsContact CA-O 3.29Å; A2-T118 WeakPolarHBondContact CA-O 3.41Å; A2-T118 WeakPolarHBondContact CB-O 3.26Å; A2-L120 HydrophobicContact CB-CB 4.42Å; A2-L120 HydrophobicContact CB-CD1 3.73Å; A2-L120 HydrophobicContact CB-CG 3.64Å | ||
| 3 | K | 54.8 | Low | 71.5 | Confident | 145 Ų | 145 | 48.2 Ų | 48.2 | 63% | 0.63 | 25% | 0.248 | S | C | * | . | trans | -62.8 | 106.9 | 173.5 | -68.9 | -170.9 | 176.9 | -171.8 | 0 | 108.6 | T118 | K3-T118 PolarHBondContact N-O 2.63Š| ||
| 4 | C | 54.6 | Low | 72.5 | Confident | 26 Ų | 26 | 45.6 Ų | 45.6 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | trans | -52.3 | 136.7 | 165.3 | -161.7 | 0 | 0 | 0 | 0 | 108.8 | M1 A2 I6 E124 R127 E608 | M1-C4 HydrophobicContact CE-CB 3.63Å; M1-C4 HydrophobicContact SD-CB 4.09Å; A2-C4 PolarHBondContact O-N 3.19Å; C4-I6 VanDerWaalsContact CB-O 3.28Å; C4-I6 WeakPolarHBondContact CB-O 3.48Å; C4-I6 PolarHBondContact O-N 3.31Å; C4-I6 PolarHBondContact SG-O 2.97Å; C4-E124 WeakPolarHBondContact CA-OE1 3.43Å; C4-R127 PolarHBondContact SG-NH2 3.12Å; C4-E608 PolarHBondContact SG-OE1 3.39Å | ||
| 5 | S | 58 | Low | 73.6 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -62.4 | -18.1 | 173.5 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | E124 L286 | S5-E124 PolarHBondContact N-OE1 2.94Å; S5-E124 PolarHBondContact OG-OE1 3.12Å; S5-L286 WeakPolarHBondContact CB-O 2.95Å; S5-L286 PolarHBondContact OG-O 2.66Å |
| 6 | I | 66.2 | Low | 74.7 | Confident | 45 Ų | 45 | 41.6 Ų | 41.6 | 23% | 0.231 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -130.1 | 150 | -172.5 | -64.9 | -171 | 0 | 0 | 0 | 110.2 | C4 K10 L286 | C4-I6 VanDerWaalsContact CB-O 3.28Å; C4-I6 WeakPolarHBondContact CB-O 3.48Å; C4-I6 PolarHBondContact O-N 3.31Å; C4-I6 PolarHBondContact SG-O 2.97Å; I6-K10 HydrophobicContact CG2-CB 3.27Å; I6-K10 HydrophobicContact CG2-CD 4.18Å; I6-K10 HydrophobicContact CG2-CG 4.38Å; I6-L286 HydrophobicContact CD1-CD2 3.52Å |
| 7 | S | 77.1 | Confident | 75.6 | Confident | 59 Ų | 59 | 39.4 Ų | 39.4 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | trans | -72.7 | 148.6 | 174.3 | 57.6 | 0 | 0 | 0 | 0 | 111.9 | E9 K10 F11 | S7-E9 PolarHBondContact O-N 3.23Å; S7-E9 VanDerWaalsContact O-N 3.1Å; S7-K10 WeakPolarHBondContact O-CA 3.46Å; S7-K10 PolarHBondContact O-N 2.83Å; S7-F11 PolarHBondContact O-N 3.4Å | ||
| 8 | G | 83.3 | Confident | 76.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.8 | -32.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F11 I12 S612 | G8-F11 PolarHBondContact O-N 3.36Å; G8-I12 WeakPolarHBondContact O-CD1 3.28Å; G8-I12 WeakPolarHBondContact O-CG1 3.25Å; G8-I12 PolarHBondContact O-N 3.42Å; G8-S612 PolarHBondContact N-OG 3.11Å |
| 9 | E | 87 | Confident | 77.5 | Confident | 103 Ų | 103 | 35.7 Ų | 35.7 | 48% | 0.481 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.6 | -52 | 170.9 | -176.1 | -165.6 | 143.6 | 0 | 0 | 112.3 | S7 F11 I12 N13 Y567 L568 | S7-E9 PolarHBondContact O-N 3.23Å; S7-E9 VanDerWaalsContact O-N 3.1Å; E9-F11 VanDerWaalsContact C-N 3.32Å; E9-F11 PolarHBondContact O-N 2.76Å; E9-I12 PolarHBondContact O-N 3.25Å; E9-N13 PolarHBondContact O-N 3.34Å; E9-Y567 HydrophobicContact CB-CE1 4.45Å; E9-L568 HydrophobicContact CB-CD2 4.29Å; E9-L568 HydrophobicContact CG-CD2 3.85Å |
| 10 | K | 84 | Confident | 78.3 | Confident | 123 Ų | 123 | 34 Ų | 34 | 54% | 0.535 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.2 | -35.1 | 176.4 | -78.7 | -174.2 | 174.5 | -167.1 | 0 | 112.1 | I6 S7 F14 | I6-K10 HydrophobicContact CG2-CB 3.27Å; I6-K10 HydrophobicContact CG2-CD 4.18Å; I6-K10 HydrophobicContact CG2-CG 4.38Å; S7-K10 WeakPolarHBondContact O-CA 3.46Å; S7-K10 PolarHBondContact O-N 2.83Å; K10-F14 WeakPolarHBondContact O-CB 2.88Å; K10-F14 PolarHBondContact O-N 3.35Å |
| 11 | F | 87.3 | Confident | 79 | Confident | 9 Ų | 9 | 32.3 Ų | 32.3 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 174.6 | 176.1 | -103.6 | 0 | 0 | 0 | 111.5 | S7 G8 E9 F14 V15 R127 I131 L605 E608 | S7-F11 PolarHBondContact O-N 3.4Å; G8-F11 PolarHBondContact O-N 3.36Å; E9-F11 VanDerWaalsContact C-N 3.32Å; E9-F11 PolarHBondContact O-N 2.76Å; F11-F14 PolarHBondContact O-N 3.11Å; F11-V15 HydrophobicContact CD1-CG2 4.4Å; F11-V15 HydrophobicContact CE1-CG2 3.97Å; F11-V15 HydrophobicContact CE2-CG2 4.2Å; F11-V15 HydrophobicContact CZ-CG2 3.84Å; F11-V15 VanDerWaalsContact O-CG2 3.3Å; F11-V15 WeakPolarHBondContact O-CG2 3.05Å; F11-V15 PolarHBondContact O-N 2.65Å; F11-R127 HydrophobicContact CE2-CG 4.06Å; F11-R127 HydrophobicContact CZ-CG 3.93Å; F11-I131 HydrophobicContact CZ-CG1 4.18Å; F11-L605 HydrophobicContact CD1-CD2 4.43Å; F11-L605 HydrophobicContact CE1-CD2 4.05Å; F11-E608 HydrophobicContact CD1-CB 4.16Å; F11-E608 HydrophobicContact CD1-CG 3.72Å; F11-E608 HydrophobicContact CE1-CG 4.22Å; F11-E608 HydrophobicContact CG-CG 4.24Å |
| 12 | I | 90.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.4 | -39.8 | 178.4 | -63.6 | 159.3 | 0 | 0 | 0 | 110.9 | G8 E9 V15 F16 F527 L564 Y567 L568 L605 | G8-I12 WeakPolarHBondContact O-CD1 3.28Å; G8-I12 WeakPolarHBondContact O-CG1 3.25Å; G8-I12 PolarHBondContact O-N 3.42Å; E9-I12 PolarHBondContact O-N 3.25Å; I12-V15 PolarHBondContact O-N 3.37Å; I12-F16 HydrophobicContact CG2-CD2 3.86Å; I12-F16 HydrophobicContact CG2-CE2 4.21Å; I12-F16 WeakPolarHBondContact O-CD2 3.26Å; I12-F16 PolarHBondContact O-N 2.9Å; I12-F527 HydrophobicContact CG2-CZ 4.33Å; I12-L564 HydrophobicContact CD1-CD2 3.92Å; I12-L564 HydrophobicContact CG1-CD2 4.35Å; I12-L564 HydrophobicContact CG2-CD2 4.33Å; I12-Y567 HydrophobicContact CD1-CD1 3.5Å; I12-Y567 HydrophobicContact CD1-CE1 3.54Å; I12-Y567 HydrophobicContact CD1-CG 4.48Å; I12-L568 HydrophobicContact CB-CD2 4.25Å; I12-L568 HydrophobicContact CD1-CD2 4.32Å; I12-L568 HydrophobicContact CG2-CD1 3.83Å; I12-L568 HydrophobicContact CG2-CD2 4.27Å; I12-L568 HydrophobicContact CG2-CG 4.41Å; I12-L605 HydrophobicContact CB-CD2 4.42Å; I12-L605 HydrophobicContact CG1-CD2 3.81Å; I12-L605 HydrophobicContact CG2-CD2 4.43Å |
| 13 | N | 88.2 | Confident | 83.2 | Confident | 32 Ų | 32 | 31.4 Ų | 31.4 | 17% | 0.171 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.1 | -32 | 174.6 | -71.4 | -15.5 | 0 | 0 | 0 | 112.8 | E9 F16 Y532 | E9-N13 PolarHBondContact O-N 3.34Å; N13-F16 CarbonylContact O-C 3.56Å; N13-Y532 PolarHBondContact ND2-OH 2.82Å; N13-Y532 PolarHBondContact OD1-OH 3.21Å |
| 14 | F | 85.1 | Confident | 85 | Confident | 13 Ų | 13 | 25.3 Ų | 25.3 | 6% | 0.057 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.1 | -36.6 | 169 | 161.7 | -99.1 | 0 | 0 | 0 | 112 | K10 F11 K71 Y128 I131 T132 W282 | K10-F14 WeakPolarHBondContact O-CB 2.88Å; K10-F14 PolarHBondContact O-N 3.35Å; F11-F14 PolarHBondContact O-N 3.11Å; F14-K71 WeakPolarHBondContact O-CE 3.34Å; F14-K71 PolarHBondContact O-NZ 2.87Å; F14-Y128 HydrophobicContact CE1-CD2 4.05Å; F14-Y128 HydrophobicContact CE1-CE2 4.48Å; F14-Y128 HydrophobicContact CE2-CD2 4.45Å; F14-Y128 HydrophobicContact CE2-CE2 4.11Å; F14-Y128 AromaticContact CZ-CD2 3.56Å; F14-Y128 HydrophobicContact CZ-CD2 3.56Å; F14-Y128 AromaticContact CZ-CE2 3.56Å; F14-Y128 HydrophobicContact CZ-CE2 3.56Å; F14-I131 HydrophobicContact CE1-CG2 3.9Å; F14-T132 HydrophobicContact CZ-CG2 4.13Å; F14-W282 HydrophobicContact CD2-CE3 4.09Å; F14-W282 AromaticContact CD2-CH2 3.48Å; F14-W282 HydrophobicContact CD2-CH2 3.48Å; F14-W282 VanDerWaalsContact CD2-CH2 3.48Å; F14-W282 HydrophobicContact CD2-CZ2 4.38Å; F14-W282 AromaticContact CD2-CZ3 3.3Å; F14-W282 HydrophobicContact CD2-CZ3 3.3Å; F14-W282 AromaticContact CE2-CE3 3.74Å; F14-W282 HydrophobicContact CE2-CE3 3.74Å; F14-W282 AromaticContact CE2-CH2 4Å; F14-W282 HydrophobicContact CE2-CH2 4Å; F14-W282 AromaticContact CE2-CZ3 3.43Å; F14-W282 HydrophobicContact CE2-CZ3 3.43Å; F14-W282 VanDerWaalsContact CE2-CZ3 3.43Å; F14-W282 HydrophobicContact CG-CH2 4.2Å; F14-W282 AromaticContact CG-CZ3 3.96Å; F14-W282 HydrophobicContact CG-CZ3 3.96Å; F14-W282 HydrophobicContact CZ-CE3 4.38Å; F14-W282 HydrophobicContact CZ-CZ3 4.19Å |
| 15 | V | 88.5 | Confident | 86.7 | Confident | 16 Ų | 16 | 24.3 Ų | 24.3 | 10% | 0.097 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.8 | -51.6 | 174.9 | 174.6 | 0 | 0 | 0 | 0 | 109.6 | F11 I12 K71 I131 L605 | F11-V15 HydrophobicContact CD1-CG2 4.4Å; F11-V15 HydrophobicContact CE1-CG2 3.97Å; F11-V15 HydrophobicContact CE2-CG2 4.2Å; F11-V15 HydrophobicContact CZ-CG2 3.84Å; F11-V15 VanDerWaalsContact O-CG2 3.3Å; F11-V15 WeakPolarHBondContact O-CG2 3.05Å; F11-V15 PolarHBondContact O-N 2.65Å; I12-V15 PolarHBondContact O-N 3.37Å; V15-K71 PolarHBondContact O-NZ 2.64Å; V15-I131 HydrophobicContact CB-CG2 4.43Å; V15-I131 HydrophobicContact CG1-CD1 4.46Å; V15-I131 HydrophobicContact CG1-CG2 4.38Å; V15-I131 HydrophobicContact CG2-CD1 4.11Å; V15-I131 HydrophobicContact CG2-CG1 4.25Å; V15-I131 HydrophobicContact CG2-CG2 3.84Å; V15-L605 HydrophobicContact CB-CD2 4.26Å; V15-L605 HydrophobicContact CG1-CD2 4.28Å; V15-L605 HydrophobicContact CG2-CD2 4.03Å |
| 16 | F | 91.8 | Very high | 88.1 | Confident | 11 Ų | 11 | 26.2 Ų | 26.2 | 5% | 0.048 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -108.2 | 84 | -175.2 | -55 | -68.5 | 0 | 0 | 0 | 112.2 | I12 N13 N142 F527 L528 M561 L564 L605 | I12-F16 HydrophobicContact CG2-CD2 3.86Å; I12-F16 HydrophobicContact CG2-CE2 4.21Å; I12-F16 WeakPolarHBondContact O-CD2 3.26Å; I12-F16 PolarHBondContact O-N 2.9Å; N13-F16 CarbonylContact O-C 3.56Å; F16-N142 HydrophobicContact CD1-CB 3.93Å; F16-N142 HydrophobicContact CE1-CB 4.46Å; F16-N142 VanDerWaalsContact CE1-ND2 3.31Å; F16-N142 WeakPolarHBondContact CE1-ND2 3.36Å; F16-F527 HydrophobicContact CB-CD1 4.28Å; F16-F527 HydrophobicContact CB-CE1 3.77Å; F16-F527 AromaticContact CD2-CE1 3.92Å; F16-F527 HydrophobicContact CD2-CE1 3.92Å; F16-F527 HydrophobicContact CD2-CZ 4.32Å; F16-F527 HydrophobicContact CG-CE1 4.02Å; F16-L528 HydrophobicContact CB-CD2 4.29Å; F16-M561 HydrophobicContact CE1-SD 4.2Å; F16-M561 HydrophobicContact CE2-SD 4.29Å; F16-M561 HydrophobicContact CZ-SD 3.96Å; F16-L564 HydrophobicContact CE2-CD1 3.82Å; F16-L564 HydrophobicContact CZ-CD1 4.35Å; F16-L605 HydrophobicContact CE2-CD1 3.66Å; F16-L605 HydrophobicContact CE2-CD2 3.97Å; F16-L605 HydrophobicContact CZ-CD1 3.67Å |
| 17 | S | 90.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | trans | -126.2 | 136.9 | -179.3 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | C19 Q69 K71 | S17-C19 PolarHBondContact O-N 2.95Å; S17-Q69 WeakPolarHBondContact CB-O 3.5Å; S17-K71 WeakPolarHBondContact OG-CD 3.41Å; S17-K71 WeakPolarHBondContact OG-CE 3.3Å; S17-K71 VanDerWaalsContact OG-CG 3.28Å; S17-K71 WeakPolarHBondContact OG-CG 3.42Å; S17-K71 PolarHBondContact OG-NZ 3.15Å | ||
| 18 | P | 94.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | trans | -46.2 | 121.1 | -179.6 | -33 | 35.6 | 0 | 0 | 0 | 115.1 | L68 Q69 L70 K71 L146 L528 F529 | P18-L68 HydrophobicContact CG-CD1 4.26Å; P18-Q69 WeakPolarHBondContact CD-O 3.41Å; P18-L70 HydrophobicContact CB-CD2 3.85Å; P18-L70 HydrophobicContact CG-CD2 4.27Å; P18-K71 PolarHBondContact O-N 3.36Å; P18-L146 HydrophobicContact CB-CD1 3.88Å; P18-L146 HydrophobicContact CG-CD1 4.42Å; P18-L528 HydrophobicContact CG-CB 4.17Å; P18-F529 HydrophobicContact CB-CZ 4.25Å; P18-F529 HydrophobicContact CG-CE1 4.27Å; P18-F529 HydrophobicContact CG-CE2 3.87Å; P18-F529 HydrophobicContact CG-CZ 3.62Å | ||
| 19 | C | 92.3 | Very high | 90 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 5% | 0.054 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 134.3 | 174.7 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | S17 F73 S143 N145 L146 | S17-C19 PolarHBondContact O-N 2.95Å; C19-F73 HydrophobicContact CB-CD2 4.35Å; C19-F73 HydrophobicContact CB-CE2 4.16Å; C19-S143 PolarHBondContact SG-O 2.99Å; C19-N145 WeakPolarHBondContact O-CA 3.29Å; C19-L146 PolarHBondContact O-N 2.73Å |
| 20 | V | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 116.6 | 176.2 | 178.1 | 0 | 0 | 0 | 0 | 108 | K71 F72 F73 A147 I149 F389 | V20-K71 PolarHBondContact N-O 3.01Å; V20-F72 HydrophobicContact CB-CD1 3.83Å; V20-F72 HydrophobicContact CB-CE1 4.04Å; V20-F72 HydrophobicContact CG1-CD1 3.87Å; V20-F72 HydrophobicContact CG1-CE1 3.95Å; V20-F72 HydrophobicContact CG2-CE1 4.45Å; V20-F72 WeakPolarHBondContact O-CA 3.22Å; V20-F73 PolarHBondContact O-N 2.84Å; V20-F73 VanDerWaalsContact O-N 3.08Å; V20-A147 HydrophobicContact CG1-CB 4.17Å; V20-A147 HydrophobicContact CG2-CB 4.41Å; V20-I149 HydrophobicContact CG1-CD1 3.67Å; V20-I149 HydrophobicContact CG1-CG1 3.69Å; V20-F389 HydrophobicContact CG1-CE1 4.24Å; V20-F389 HydrophobicContact CG1-CZ 3.89Å; V20-F389 HydrophobicContact CG2-CE1 4Å; V20-F389 HydrophobicContact CG2-CZ 4.08Å |
| 21 | G | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 145.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F73 N145 A147 C148 I149 | G21-F73 CarbonylContact C-O 3.59Å; G21-F73 WeakPolarHBondContact CA-O 3.34Å; G21-N145 PolarHBondContact N-OD1 3.34Å; G21-A147 PolarHBondContact N-O 2.79Å; G21-C148 CarbonylContact O-C 3.6Å; G21-C148 WeakPolarHBondContact O-CA 3.23Å; G21-I149 PolarHBondContact O-N 2.91Å |
| 22 | L | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133 | 172.4 | -52.1 | 178 | 0 | 0 | 0 | 109 | V24 F39 E40 L43 F72 F73 I75 I149 | L22-V24 HydrophobicContact CB-CG2 3.9Å; L22-F39 HydrophobicContact CD1-CD1 4.2Å; L22-E40 HydrophobicContact CD1-CB 3.77Å; L22-E40 HydrophobicContact CD1-CG 3.9Å; L22-L43 HydrophobicContact CD2-CD1 4.25Å; L22-F72 HydrophobicContact CD1-CB 4.02Å; L22-F72 HydrophobicContact CD2-CB 4.33Å; L22-F72 HydrophobicContact CD2-CD1 3.97Å; L22-F72 HydrophobicContact CD2-CG 4.5Å; L22-F72 HydrophobicContact CG-CB 4.21Å; L22-F73 PolarHBondContact N-O 3.06Å; L22-I75 WeakPolarHBondContact O-CB 2.99Å; L22-I75 PolarHBondContact O-N 2.91Å; L22-I149 WeakPolarHBondContact CA-O 3.21Å; L22-I149 HydrophobicContact CD2-CB 3.89Å; L22-I149 HydrophobicContact CD2-CD1 4.16Å; L22-I149 HydrophobicContact CD2-CG1 4.38Å |
| 23 | L | 92.6 | Very high | 89.8 | Confident | 10 Ų | 10 | 24.3 Ų | 24.3 | 5% | 0.052 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 104.9 | 163.5 | -85.7 | 168 | 0 | 0 | 0 | 108.1 | I75 I149 F150 V151 Q170 | L23-I75 HydrophobicContact CD1-CD1 4.17Å; L23-I75 HydrophobicContact CD2-CB 3.96Å; L23-I75 HydrophobicContact CD2-CG2 3.92Å; L23-I75 HydrophobicContact CG-CB 4.03Å; L23-I75 HydrophobicContact CG-CD1 3.83Å; L23-I75 HydrophobicContact CG-CG2 4.2Å; L23-I149 PolarHBondContact N-O 3.02Å; L23-F150 HydrophobicContact CB-CD1 3.94Å; L23-F150 HydrophobicContact CB-CE1 4.26Å; L23-F150 HydrophobicContact CD1-CD1 4.35Å; L23-F150 HydrophobicContact CD1-CE1 3.84Å; L23-F150 WeakPolarHBondContact O-CA 3.37Å; L23-V151 PolarHBondContact O-N 2.77Å; L23-Q170 HydrophobicContact CD1-CB 3.61Å; L23-Q170 HydrophobicContact CD1-CG 4.12Å |
| 24 | V | 92.1 | Very high | 89.5 | Confident | 16 Ų | 16 | 29.6 Ų | 29.6 | 10% | 0.097 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.7 | -168.9 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | L22 V28 F39 V151 | L22-V24 HydrophobicContact CB-CG2 3.9Å; V24-V28 HydrophobicContact CG1-CB 3.6Å; V24-V28 HydrophobicContact CG1-CG1 3.39Å; V24-F39 HydrophobicContact CG1-CB 4.02Å; V24-F39 HydrophobicContact CG2-CB 4.12Å; V24-F39 HydrophobicContact CG2-CD1 4.18Å; V24-F39 HydrophobicContact CG2-CG 4.49Å; V24-V151 HydrophobicContact CG2-CG2 4.18Å |
| 25 | S | 91.4 | Very high | 89.2 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 4% | 0.035 | 15% | 0.148 | C | C | . | . | trans | -74.5 | 158 | 176.6 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | D27 V28 N29 V151 L152 | S25-D27 VanDerWaalsContact C-N 3.3Å; S25-D27 WeakPolarHBondContact CB-OD1 3.44Å; S25-D27 PolarHBondContact O-N 2.7Å; S25-D27 PolarHBondContact OG-OD1 2.69Å; S25-D27 PolarHBondContact OG-OD2 2.94Å; S25-V28 PolarHBondContact O-N 3.09Å; S25-V28 VanDerWaalsContact O-N 3.12Å; S25-V28 WeakPolarHBondContact OG-CG2 3.44Å; S25-N29 PolarHBondContact O-N 3.49Å; S25-V151 PolarHBondContact N-O 2.73Å; S25-V151 VanDerWaalsContact N-O 3.07Å; S25-V151 PolarHBondContact OG-O 2.75Å; S25-L152 WeakPolarHBondContact OG-CD2 3.46Å | ||
| 26 | P | 88.2 | Confident | 88.8 | Confident | 96 Ų | 96 | 29 Ų | 29 | 62% | 0.623 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -56.9 | -41.6 | -179.6 | -25.8 | 35.5 | 0 | 0 | 0 | 113.2 | V28 N29 E30 | P26-V28 VanDerWaalsContact C-N 3.29Å; P26-V28 PolarHBondContact O-N 2.79Å; P26-N29 PolarHBondContact O-N 2.91Å; P26-N29 VanDerWaalsContact O-N 3.12Å; P26-E30 PolarHBondContact O-N 2.94Å |
| 27 | D | 89.5 | Confident | 88.5 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 17% | 0.166 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -29.5 | 178.6 | 55.3 | -63.9 | 0 | 0 | 0 | 113.4 | S25 L31 T153 H156 | S25-D27 VanDerWaalsContact C-N 3.3Å; S25-D27 WeakPolarHBondContact CB-OD1 3.44Å; S25-D27 PolarHBondContact O-N 2.7Å; S25-D27 PolarHBondContact OG-OD1 2.69Å; S25-D27 PolarHBondContact OG-OD2 2.94Å; D27-L31 VanDerWaalsContact O-CB 3.31Å; D27-L31 WeakPolarHBondContact O-CB 3.28Å; D27-L31 PolarHBondContact O-N 2.92Å; D27-T153 HydrophobicContact CB-CG2 4.19Å; D27-T153 WeakPolarHBondContact O-CG2 3.22Å; D27-T153 VanDerWaalsContact OD2-CB 3.23Å; D27-T153 WeakPolarHBondContact OD2-CB 3.34Å; D27-T153 VanDerWaalsContact OD2-CG2 3.26Å; D27-T153 WeakPolarHBondContact OD2-CG2 3.25Å; D27-T153 PolarHBondContact OD2-N 2.8Å; D27-T153 PolarHBondContact OD2-OG1 2.82Å; D27-H156 IonicContact OD1-CD2 3.19Å |
| 28 | V | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.1 | -41 | 173.3 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | V24 S25 P26 L31 C32 F39 V151 T153 L196 | V24-V28 HydrophobicContact CG1-CB 3.6Å; V24-V28 HydrophobicContact CG1-CG1 3.39Å; S25-V28 PolarHBondContact O-N 3.09Å; S25-V28 VanDerWaalsContact O-N 3.12Å; S25-V28 WeakPolarHBondContact OG-CG2 3.44Å; P26-V28 VanDerWaalsContact C-N 3.29Å; P26-V28 PolarHBondContact O-N 2.79Å; V28-L31 PolarHBondContact O-N 2.78Å; V28-C32 PolarHBondContact O-N 3.38Å; V28-C32 PolarHBondContact O-SG 2.87Å; V28-F39 HydrophobicContact CG1-CB 4.02Å; V28-F39 HydrophobicContact CG1-CD2 3.93Å; V28-F39 HydrophobicContact CG1-CG 4.11Å; V28-V151 HydrophobicContact CG1-CB 4.45Å; V28-V151 HydrophobicContact CG1-CG1 3.91Å; V28-V151 HydrophobicContact CG2-CB 4.36Å; V28-V151 HydrophobicContact CG2-CG1 3.92Å; V28-T153 HydrophobicContact CB-CG2 4.3Å; V28-T153 HydrophobicContact CG2-CG2 3.62Å; V28-L196 HydrophobicContact CB-CD2 4.45Å; V28-L196 HydrophobicContact CG1-CD2 3.68Å; V28-L196 HydrophobicContact CG2-CB 4.48Å; V28-L196 HydrophobicContact CG2-CD2 4.31Å |
| 29 | N | 86.3 | Confident | 88.1 | Confident | 35 Ų | 35 | 30.8 Ų | 30.8 | 19% | 0.187 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.4 | -40 | 176.2 | -81.4 | -31.8 | 0 | 0 | 0 | 111.2 | S25 P26 L31 C32 L33 | S25-N29 PolarHBondContact O-N 3.49Å; P26-N29 PolarHBondContact O-N 2.91Å; P26-N29 VanDerWaalsContact O-N 3.12Å; N29-L31 VanDerWaalsContact C-N 3.31Å; N29-L31 PolarHBondContact O-N 2.89Å; N29-C32 PolarHBondContact O-N 2.9Å; N29-L33 VanDerWaalsContact O-CB 3.28Å; N29-L33 WeakPolarHBondContact O-CB 3.33Å; N29-L33 WeakPolarHBondContact O-CD1 3.05Å; N29-L33 WeakPolarHBondContact O-CG 3.44Å; N29-L33 PolarHBondContact O-N 2.8Å |
| 30 | E | 86.9 | Confident | 87.9 | Confident | 134 Ų | 134 | 31.8 Ų | 31.8 | 63% | 0.626 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -58 | -40.8 | 171.1 | -73.7 | 178.9 | -167.3 | 0 | 0 | 112.7 | P26 | P26-E30 PolarHBondContact O-N 2.94Å |
| 31 | L | 86.2 | Confident | 87.5 | Confident | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.8 | -48.4 | 176.6 | -174.2 | 164.9 | 0 | 0 | 0 | 111.3 | D27 V28 N29 L33 R34 T153 L196 D198 I229 T231 | D27-L31 VanDerWaalsContact O-CB 3.31Å; D27-L31 WeakPolarHBondContact O-CB 3.28Å; D27-L31 PolarHBondContact O-N 2.92Å; V28-L31 PolarHBondContact O-N 2.78Å; N29-L31 VanDerWaalsContact C-N 3.31Å; N29-L31 PolarHBondContact O-N 2.89Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 2.84Å; L31-R34 WeakPolarHBondContact O-CB 3.47Å; L31-R34 PolarHBondContact O-N 2.75Å; L31-T153 HydrophobicContact CB-CG2 4.27Å; L31-T153 HydrophobicContact CD1-CG2 3.61Å; L31-L196 HydrophobicContact CD1-CD2 4.26Å; L31-L196 HydrophobicContact CD1-CG 4.43Å; L31-L196 HydrophobicContact CD2-CD2 3.94Å; L31-D198 HydrophobicContact CD1-CB 4Å; L31-I229 HydrophobicContact CD2-CD1 3.69Å; L31-I229 HydrophobicContact CD2-CG1 4.13Å; L31-T231 HydrophobicContact CD2-CG2 3.54Å; L31-T231 HydrophobicContact CG-CG2 4.09Å |
| 32 | C | 86.4 | Confident | 87.3 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.2 | -30.8 | -179.9 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | V28 N29 R34 D35 N36 L37 | V28-C32 PolarHBondContact O-N 3.38Å; V28-C32 PolarHBondContact O-SG 2.87Å; N29-C32 PolarHBondContact O-N 2.9Å; C32-R34 PolarHBondContact O-N 2.85Å; C32-D35 CarbonylContact O-C 3.44Å; C32-D35 PolarHBondContact O-N 2.89Å; C32-N36 PolarHBondContact O-N 2.85Å; C32-L37 CarbonylContact C-O 3.58Å; C32-L37 WeakPolarHBondContact CB-O 3.46Å; C32-L37 PolarHBondContact O-N 3.27Å; C32-L37 VanDerWaalsContact O-N 3.07Å; C32-L37 VanDerWaalsContact O-O 3.1Å |
| 33 | L | 83.5 | Confident | 87.1 | Confident | 90 Ų | 90 | 33.4 Ų | 33.4 | 47% | 0.471 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.4 | -18 | 178 | -78.5 | 168.7 | 0 | 0 | 0 | 113.3 | N29 L31 D35 N36 L37 | N29-L33 VanDerWaalsContact O-CB 3.28Å; N29-L33 WeakPolarHBondContact O-CB 3.33Å; N29-L33 WeakPolarHBondContact O-CD1 3.05Å; N29-L33 WeakPolarHBondContact O-CG 3.44Å; N29-L33 PolarHBondContact O-N 2.8Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 2.84Å; L33-D35 PolarHBondContact O-N 2.94Å; L33-N36 WeakPolarHBondContact O-CA 3.31Å; L33-N36 PolarHBondContact O-N 2.81Å; L33-L37 PolarHBondContact N-O 2.89Å |
| 34 | R | 82.4 | Confident | 86.8 | Confident | 144 Ų | 144 | 36 Ų | 36 | 54% | 0.543 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -27.8 | 169.1 | -59.8 | 179.7 | -174.5 | 169.8 | 4 | 113.1 | L31 C32 D198 T231 | L31-R34 WeakPolarHBondContact O-CB 3.47Å; L31-R34 PolarHBondContact O-N 2.75Å; C32-R34 PolarHBondContact O-N 2.85Å; R34-D198 IonicContact CZ-OD2 2.62Å; R34-D198 IonicContact NH1-OD2 2.71Å; R34-D198 PolarHBondContact NH1-OD2 2.96Å; R34-T231 PolarHBondContact NH1-OG1 3.25Å |
| 35 | D | 78.3 | Confident | 86.4 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 12.5 | 171.1 | -87 | -56.2 | 0 | 0 | 0 | 112.1 | C32 L33 L37 G371 Q372 H373 | C32-D35 CarbonylContact O-C 3.44Å; C32-D35 PolarHBondContact O-N 2.89Å; L33-D35 PolarHBondContact O-N 2.94Å; D35-L37 VanDerWaalsContact C-N 3.27Å; D35-L37 HydrophobicContact CB-CD1 4.35Å; D35-L37 PolarHBondContact O-N 3.44Å; D35-G371 PolarHBondContact O-N 2.91Å; D35-Q372 PolarHBondContact OD1-N 3.04Å; D35-H373 VanDerWaalsContact OD1-CB 3.27Å; D35-H373 WeakPolarHBondContact OD1-CB 3.14Å; D35-H373 IonicContact OD1-CG 3.27Å; D35-H373 PolarHBondContact OD1-N 2.59Å; D35-H373 IonicContact OD1-ND1 3.44Å; D35-H373 PolarHBondContact OD1-ND1 3.04Å |
| 36 | N | 81.3 | Confident | 86.2 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.059 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 44.6 | -173.6 | -176.8 | 21.1 | 0 | 0 | 0 | 112.6 | C32 L33 R365 E368 H370 | C32-N36 PolarHBondContact O-N 2.85Å; L33-N36 WeakPolarHBondContact O-CA 3.31Å; L33-N36 PolarHBondContact O-N 2.81Å; N36-R365 VanDerWaalsContact C-NH2 3.25Å; N36-R365 PolarHBondContact ND2-O 3.22Å; N36-R365 PolarHBondContact O-NH2 2.83Å; N36-R365 WeakPolarHBondContact OD1-CB 3.39Å; N36-R365 PolarHBondContact OD1-NE 3.38Å; N36-R365 PolarHBondContact OD1-NH2 2.96Å; N36-E368 WeakPolarHBondContact ND2-CB 3.28Å; N36-E368 PolarHBondContact ND2-O 2.91Å; N36-E368 VanDerWaalsContact ND2-O 3.12Å; N36-H370 PolarHBondContact ND2-CE1 2.58Å; N36-H370 PolarHBondContact ND2-ND1 3.05Å; N36-H370 PolarHBondContact O-CD2 2.9Å; N36-H370 VanDerWaalsContact O-CD2 3.29Å |
| 37 | L | 85.3 | Confident | 86.2 | Confident | 19 Ų | 19 | 37 Ų | 37 | 10% | 0.099 | 18% | 0.181 | C | C | . | . | trans | -129.7 | 150 | 176.8 | -71.1 | 168.1 | 0 | 0 | 0 | 110.9 | C32 L33 D35 E41 L42 H370 L374 | C32-L37 CarbonylContact C-O 3.58Å; C32-L37 WeakPolarHBondContact CB-O 3.46Å; C32-L37 PolarHBondContact O-N 3.27Å; C32-L37 VanDerWaalsContact O-N 3.07Å; C32-L37 VanDerWaalsContact O-O 3.1Å; L33-L37 PolarHBondContact N-O 2.89Å; D35-L37 VanDerWaalsContact C-N 3.27Å; D35-L37 HydrophobicContact CB-CD1 4.35Å; D35-L37 PolarHBondContact O-N 3.44Å; L37-E41 WeakPolarHBondContact CA-OE2 3.07Å; L37-E41 HydrophobicContact CD2-CB 3.73Å; L37-L42 HydrophobicContact CD1-CD1 3.9Å; L37-H370 HydrophobicContact CD2-CB 4.01Å; L37-H370 HydrophobicContact CG-CB 4.43Å; L37-L374 HydrophobicContact CD1-CD1 3.86Å | ||
| 38 | T | 86.2 | Confident | 86.1 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 20% | 0.202 | 19% | 0.193 | C | C | . | . | trans | -85 | 163.1 | 154.2 | 69.8 | 0 | 0 | 0 | 0 | 109.8 | E40 E41 L42 | T38-E40 PolarHBondContact O-N 3.17Å; T38-E41 PolarHBondContact N-OE2 3.24Å; T38-E41 PolarHBondContact O-N 3.39Å; T38-E41 VanDerWaalsContact OG1-CD 3.3Å; T38-E41 VanDerWaalsContact OG1-CG 3.25Å; T38-E41 WeakPolarHBondContact OG1-CG 3.4Å; T38-E41 PolarHBondContact OG1-N 3.26Å; T38-E41 VanDerWaalsContact OG1-N 3.16Å; T38-L42 PolarHBondContact O-N 3.12Å | ||
| 39 | F | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -28.7 | 175.5 | -169.4 | -99.6 | 0 | 0 | 0 | 112.7 | L22 V24 V28 L42 L43 V151 V194 L196 L227 | L22-F39 HydrophobicContact CD1-CD1 4.2Å; V24-F39 HydrophobicContact CG1-CB 4.02Å; V24-F39 HydrophobicContact CG2-CB 4.12Å; V24-F39 HydrophobicContact CG2-CD1 4.18Å; V24-F39 HydrophobicContact CG2-CG 4.49Å; V28-F39 HydrophobicContact CG1-CB 4.02Å; V28-F39 HydrophobicContact CG1-CD2 3.93Å; V28-F39 HydrophobicContact CG1-CG 4.11Å; F39-L42 HydrophobicContact CD2-CD2 3.99Å; F39-L42 HydrophobicContact CE2-CD2 4.12Å; F39-L43 HydrophobicContact CD1-CD1 4.25Å; F39-L43 HydrophobicContact CD1-CG 4.41Å; F39-L43 HydrophobicContact CE1-CD1 3.66Å; F39-L43 HydrophobicContact CE1-CD2 4.37Å; F39-L43 HydrophobicContact CE1-CG 4.02Å; F39-L43 HydrophobicContact CZ-CD1 4.24Å; F39-L43 HydrophobicContact CZ-CD2 4.16Å; F39-L43 HydrophobicContact CZ-CG 4.3Å; F39-L43 WeakPolarHBondContact O-CG 3.41Å; F39-L43 PolarHBondContact O-N 2.93Å; F39-V151 HydrophobicContact CD1-CG1 4.36Å; F39-V151 HydrophobicContact CD1-CG2 3.82Å; F39-V151 HydrophobicContact CD2-CG1 4.27Å; F39-V151 HydrophobicContact CE1-CB 4.43Å; F39-V151 HydrophobicContact CE1-CG1 4.07Å; F39-V151 HydrophobicContact CE1-CG2 3.55Å; F39-V151 HydrophobicContact CE2-CG1 3.97Å; F39-V151 HydrophobicContact CG-CG1 4.47Å; F39-V151 HydrophobicContact CZ-CG1 3.87Å; F39-V151 HydrophobicContact CZ-CG2 4.14Å; F39-V194 HydrophobicContact CZ-CG1 4.43Å; F39-L196 HydrophobicContact CD2-CD2 4.25Å; F39-L196 HydrophobicContact CE2-CD1 4.27Å; F39-L196 HydrophobicContact CE2-CD2 4.3Å; F39-L227 HydrophobicContact CE2-CD2 4.19Å; F39-L227 HydrophobicContact CZ-CD2 4.37Å |
| 40 | E | 88.3 | Confident | 85.6 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | 172.4 | -163.1 | -154.8 | 102.7 | 0 | 0 | 111.7 | L22 T38 L42 L43 R44 F72 F73 D74 | L22-E40 HydrophobicContact CD1-CB 3.77Å; L22-E40 HydrophobicContact CD1-CG 3.9Å; T38-E40 PolarHBondContact O-N 3.17Å; E40-L42 VanDerWaalsContact C-N 3.26Å; E40-L42 PolarHBondContact O-N 3.25Å; E40-L43 PolarHBondContact O-N 2.81Å; E40-R44 PolarHBondContact O-N 3.01Å; E40-R44 IonicContact OE1-CZ 3.81Å; E40-R44 IonicContact OE1-NE 2.67Å; E40-R44 PolarHBondContact OE1-NE 2.89Å; E40-R44 IonicContact OE1-NH2 2.74Å; E40-R44 PolarHBondContact OE1-NH2 3.14Å; E40-F72 HydrophobicContact CG-CB 4.14Å; E40-F72 WeakPolarHBondContact CG-O 3.34Å; E40-F73 WeakPolarHBondContact OE2-CA 3.18Å; E40-D74 PolarHBondContact OE2-N 2.91Å |
| 41 | E | 84.8 | Confident | 85.4 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -34.5 | 176.4 | -69.3 | 160.4 | -174 | 0 | 0 | 111.8 | L37 T38 P45 R365 | L37-E41 WeakPolarHBondContact CA-OE2 3.07Å; L37-E41 HydrophobicContact CD2-CB 3.73Å; T38-E41 PolarHBondContact N-OE2 3.24Å; T38-E41 PolarHBondContact O-N 3.39Å; T38-E41 VanDerWaalsContact OG1-CD 3.3Å; T38-E41 VanDerWaalsContact OG1-CG 3.25Å; T38-E41 WeakPolarHBondContact OG1-CG 3.4Å; T38-E41 PolarHBondContact OG1-N 3.26Å; T38-E41 VanDerWaalsContact OG1-N 3.16Å; E41-P45 VanDerWaalsContact O-CD 3.3Å; E41-P45 WeakPolarHBondContact O-CD 2.95Å; E41-R365 IonicContact OE1-CZ 3.71Å; E41-R365 IonicContact OE1-NH1 2.7Å; E41-R365 PolarHBondContact OE1-NH1 2.79Å; E41-R365 IonicContact OE1-NH2 3Å; E41-R365 IonicContact OE2-CZ 2.73Å; E41-R365 IonicContact OE2-NH1 3.8Å; E41-R365 PolarHBondContact OE2-NH1 3.49Å; E41-R365 IonicContact OE2-NH2 3.46Å; E41-R365 PolarHBondContact OE2-NH2 3.02Å |
| 42 | L | 88.7 | Confident | 85.5 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -39.6 | 174.4 | -174.5 | 69.6 | 0 | 0 | 0 | 112.7 | L37 T38 F39 E40 F46 I229 L374 I382 | L37-L42 HydrophobicContact CD1-CD1 3.9Å; T38-L42 PolarHBondContact O-N 3.12Å; F39-L42 HydrophobicContact CD2-CD2 3.99Å; F39-L42 HydrophobicContact CE2-CD2 4.12Å; E40-L42 VanDerWaalsContact C-N 3.26Å; E40-L42 PolarHBondContact O-N 3.25Å; L42-F46 WeakPolarHBondContact O-CD2 3.41Å; L42-F46 WeakPolarHBondContact O-CE2 3.39Å; L42-I229 HydrophobicContact CD2-CD1 4.12Å; L42-L374 HydrophobicContact CD1-CD1 3.68Å; L42-L374 HydrophobicContact CD1-CD2 4.03Å; L42-I382 HydrophobicContact CD1-CD1 3.69Å; L42-I382 HydrophobicContact CD2-CD1 4.4Å; L42-I382 HydrophobicContact CG-CD1 3.98Å |
| 43 | L | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -82 | -27.8 | 179.3 | -61.7 | -170.8 | 0 | 0 | 0 | 113.6 | L22 F39 E40 P45 F46 S47 F72 I382 F385 V386 | L22-L43 HydrophobicContact CD2-CD1 4.25Å; F39-L43 HydrophobicContact CD1-CD1 4.25Å; F39-L43 HydrophobicContact CD1-CG 4.41Å; F39-L43 HydrophobicContact CE1-CD1 3.66Å; F39-L43 HydrophobicContact CE1-CD2 4.37Å; F39-L43 HydrophobicContact CE1-CG 4.02Å; F39-L43 HydrophobicContact CZ-CD1 4.24Å; F39-L43 HydrophobicContact CZ-CD2 4.16Å; F39-L43 HydrophobicContact CZ-CG 4.3Å; F39-L43 WeakPolarHBondContact O-CG 3.41Å; F39-L43 PolarHBondContact O-N 2.93Å; E40-L43 PolarHBondContact O-N 2.81Å; L43-P45 VanDerWaalsContact C-CD 3.43Å; L43-F46 PolarHBondContact O-N 2.85Å; L43-S47 PolarHBondContact O-N 3.23Å; L43-F72 HydrophobicContact CB-CD2 3.72Å; L43-F72 HydrophobicContact CB-CE2 4.01Å; L43-F72 HydrophobicContact CB-CG 4.3Å; L43-F72 HydrophobicContact CD1-CD1 4.12Å; L43-F72 HydrophobicContact CD1-CD2 4.16Å; L43-F72 HydrophobicContact CD1-CE1 4.25Å; L43-F72 HydrophobicContact CD1-CE2 4.28Å; L43-F72 HydrophobicContact CD1-CG 4.08Å; L43-F72 HydrophobicContact CD1-CZ 4.33Å; L43-I382 HydrophobicContact CD2-CG2 3.74Å; L43-F385 HydrophobicContact CD1-CE1 3.88Å; L43-F385 HydrophobicContact CD2-CD1 3.81Å; L43-F385 HydrophobicContact CD2-CE1 3.59Å; L43-F385 HydrophobicContact CG-CE1 4.4Å; L43-V386 HydrophobicContact CD2-CG2 4.21Å |
| 44 | R | 84.9 | Confident | 86 | Confident | 64 Ų | 64 | 44.8 Ų | 44.8 | 24% | 0.242 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -52.2 | -40 | -171.3 | -153.7 | -179.9 | -63.6 | 137.1 | 3.2 | 114.7 | E40 F46 S47 | E40-R44 PolarHBondContact O-N 3.01Å; E40-R44 IonicContact OE1-CZ 3.81Å; E40-R44 IonicContact OE1-NE 2.67Å; E40-R44 PolarHBondContact OE1-NE 2.89Å; E40-R44 IonicContact OE1-NH2 2.74Å; E40-R44 PolarHBondContact OE1-NH2 3.14Å; R44-F46 VanDerWaalsContact C-N 3.25Å; R44-F46 PolarHBondContact O-N 3.33Å; R44-S47 VanDerWaalsContact O-CB 3.3Å; R44-S47 WeakPolarHBondContact O-CB 3.36Å; R44-S47 PolarHBondContact O-N 2.99Å; R44-S47 PolarHBondContact O-OG 3.4Å |
| 45 | P | 83.3 | Confident | 86.3 | Confident | 96 Ų | 96 | 38 Ų | 38 | 62% | 0.623 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -65.1 | -24.8 | 176.5 | -22.7 | 34.6 | 0 | 0 | 0 | 114.6 | E41 L43 | E41-P45 VanDerWaalsContact O-CD 3.3Å; E41-P45 WeakPolarHBondContact O-CD 2.95Å; L43-P45 VanDerWaalsContact C-CD 3.43Å |
| 46 | F | 88.3 | Confident | 86.7 | Confident | 33 Ų | 33 | 44 Ų | 44 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -99.7 | 5.4 | -175.5 | -51.2 | -79.7 | 0 | 0 | 0 | 112.7 | L42 L43 R44 Q48 R379 I382 H383 V386 | L42-F46 WeakPolarHBondContact O-CD2 3.41Å; L42-F46 WeakPolarHBondContact O-CE2 3.39Å; L43-F46 PolarHBondContact O-N 2.85Å; R44-F46 VanDerWaalsContact C-N 3.25Å; R44-F46 PolarHBondContact O-N 3.33Å; F46-Q48 VanDerWaalsContact C-N 3.26Å; F46-Q48 PolarHBondContact O-N 3.34Å; F46-R379 HydrophobicContact CE1-CB 4.15Å; F46-R379 WeakPolarHBondContact CE1-O 3.39Å; F46-R379 HydrophobicContact CZ-CB 3.94Å; F46-R379 HydrophobicContact CZ-CG 4.05Å; F46-I382 HydrophobicContact CD2-CB 4.03Å; F46-I382 HydrophobicContact CD2-CG2 3.32Å; F46-I382 HydrophobicContact CE2-CB 3.9Å; F46-I382 HydrophobicContact CE2-CD1 4.18Å; F46-I382 HydrophobicContact CE2-CG2 3.6Å; F46-I382 HydrophobicContact CG-CG2 3.95Å; F46-I382 HydrophobicContact CZ-CB 4.26Å; F46-I382 HydrophobicContact CZ-CG2 4.41Å; F46-H383 HydrophobicContact CD1-CB 3.68Å; F46-H383 HydrophobicContact CE1-CB 4.13Å; F46-V386 HydrophobicContact CB-CG2 4.15Å; F46-V386 WeakPolarHBondContact O-CG1 3.28Å |
| 47 | S | 87.4 | Confident | 86.7 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | trans | -63.3 | -23.4 | -175.9 | 57.6 | 0 | 0 | 0 | 0 | 115 | L43 R44 Q69 L70 | L43-S47 PolarHBondContact O-N 3.23Å; R44-S47 VanDerWaalsContact O-CB 3.3Å; R44-S47 WeakPolarHBondContact O-CB 3.36Å; R44-S47 PolarHBondContact O-N 2.99Å; R44-S47 PolarHBondContact O-OG 3.4Å; S47-Q69 WeakPolarHBondContact O-CA 3.23Å; S47-L70 WeakPolarHBondContact CB-O 3.49Å; S47-L70 PolarHBondContact O-N 3.41Å | ||
| 48 | Q | 88.2 | Confident | 86.3 | Confident | 86 Ų | 86 | 46 Ų | 46 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -98 | 122.1 | 171.3 | -175 | -172.1 | -31.7 | 0 | 0 | 110.1 | F46 S50 N67 | F46-Q48 VanDerWaalsContact C-N 3.26Å; F46-Q48 PolarHBondContact O-N 3.34Å; Q48-S50 PolarHBondContact O-N 2.71Å; Q48-N67 HydrophobicContact CG-CB 4.48Å; Q48-N67 PolarHBondContact NE2-OD1 3.35Å; Q48-N67 VanDerWaalsContact NE2-OD1 3.11Å |
| 49 | L | 87.3 | Confident | 86.1 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | trans | -68 | 129 | 176 | -59 | -173.7 | 0 | 0 | 0 | 111.2 | K51 V53 L68 V386 Y387 | L49-K51 PolarHBondContact O-N 3.45Å; L49-V53 HydrophobicContact CD1-CG1 3.72Å; L49-L68 HydrophobicContact CD1-CB 4.14Å; L49-L68 HydrophobicContact CD1-CD2 4.09Å; L49-L68 HydrophobicContact CD1-CG 4.39Å; L49-L68 HydrophobicContact CG-CB 4.44Å; L49-L68 PolarHBondContact N-O 2.67Å; L49-V386 HydrophobicContact CD2-CG1 4.08Å; L49-Y387 HydrophobicContact CD2-CD2 4.47Å | ||
| 50 | S | 78.4 | Confident | 85.8 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 57% | 0.566 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -74.8 | -5.6 | 178.6 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | Q48 H383 | Q48-S50 PolarHBondContact O-N 2.71Å; S50-H383 PolarHBondContact OG-CE1 3.12Å; S50-H383 PolarHBondContact OG-NE2 3.45Å |
| 51 | K | 83.9 | Confident | 85.6 | Confident | 122 Ų | 122 | 56.9 Ų | 56.9 | 53% | 0.53 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -127.3 | 137 | 179.4 | -65.2 | 175.4 | -177.3 | 172.1 | 0 | 109.4 | L49 V53 Y387 | L49-K51 PolarHBondContact O-N 3.45Å; K51-V53 PolarHBondContact O-N 3.29Å; K51-Y387 HydrophobicContact CB-CE2 4.12Å; K51-Y387 HydrophobicContact CD-CE2 4.07Å |
| 52 | D | 87.8 | Confident | 85.8 | Confident | 78 Ų | 78 | 59.5 Ų | 59.5 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | trans | -60 | 134.1 | 167.5 | -71.8 | -5.5 | 0 | 0 | 0 | 109.2 | K66 N67 | D52-K66 WeakPolarHBondContact OD1-CA 3.04Å; D52-K66 WeakPolarHBondContact OD1-CB 3.22Å; D52-K66 WeakPolarHBondContact OD2-CD 3.13Å; D52-K66 WeakPolarHBondContact OD2-CE 3.22Å; D52-K66 WeakPolarHBondContact OD2-CG 3.47Å; D52-K66 IonicContact OD2-NZ 3.22Å; D52-N67 PolarHBondContact OD1-N 3.17Å | ||
| 53 | V | 90.6 | Very high | 85.7 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 167.3 | -178.8 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | L49 K51 S64 V65 L68 Y387 V391 L395 | L49-V53 HydrophobicContact CD1-CG1 3.72Å; K51-V53 PolarHBondContact O-N 3.29Å; V53-S64 CarbonylContact O-C 3.49Å; V53-S64 WeakPolarHBondContact O-CA 3.28Å; V53-V65 HydrophobicContact CG2-CB 3.97Å; V53-V65 PolarHBondContact N-O 3.48Å; V53-V65 PolarHBondContact O-N 2.84Å; V53-L68 HydrophobicContact CG2-CB 4.26Å; V53-L68 HydrophobicContact CG2-CD2 3.99Å; V53-Y387 HydrophobicContact CG1-CE2 4.32Å; V53-V391 HydrophobicContact CG1-CG2 3.85Å; V53-L395 HydrophobicContact CB-CD1 3.85Å; V53-L395 HydrophobicContact CG2-CD1 3.78Å |
| 54 | T | 90.3 | Very high | 85.7 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 53% | 0.534 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146 | -179.9 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | V62 H63 | T54-V62 HydrophobicContact CG2-CG1 4.12Å; T54-H63 CarbonylContact C-O 3.51Å; T54-H63 WeakPolarHBondContact CA-O 3.35Å; T54-H63 WeakPolarHBondContact CB-O 3.32Å |
| 55 | F | 87.2 | Confident | 85.9 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 163.3 | 175.7 | 79.2 | -72.8 | 0 | 0 | 0 | 111.1 | H63 V65 L395 E399 M402 F529 Q531 | F55-H63 HydrophobicContact CD1-CB 4.3Å; F55-H63 HydrophobicContact CE1-CB 4.03Å; F55-H63 PolarHBondContact N-O 2.86Å; F55-H63 PolarHBondContact O-N 2.72Å; F55-V65 HydrophobicContact CD1-CG2 3.58Å; F55-V65 HydrophobicContact CE1-CG2 3.41Å; F55-V65 VanDerWaalsContact CE1-CG2 3.41Å; F55-L395 HydrophobicContact CB-CD2 4.26Å; F55-E399 HydrophobicContact CB-CG 4.07Å; F55-E399 HydrophobicContact CD2-CG 4.12Å; F55-M402 HydrophobicContact CE2-SD 3.75Å; F55-M402 HydrophobicContact CZ-SD 4.44Å; F55-F529 HydrophobicContact CE1-CB 3.87Å; F55-F529 WeakPolarHBondContact CE1-O 3.29Å; F55-F529 HydrophobicContact CE2-CB 4.45Å; F55-F529 HydrophobicContact CZ-CB 3.66Å; F55-Q531 HydrophobicContact CE1-CG 4.43Å; F55-Q531 HydrophobicContact CZ-CG 3.85Å |
| 56 | R | 86.6 | Confident | 86.1 | Confident | 132 Ų | 132 | 62.6 Ų | 62.6 | 50% | 0.498 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.2 | -175.7 | -62.2 | 176.5 | -174.3 | 177.9 | 3.1 | 112.5 | V61 V62 E399 | R56-V61 WeakPolarHBondContact CA-O 3.42Å; R56-V62 HydrophobicContact CG-CG2 4.11Å; R56-E399 WeakPolarHBondContact CB-OE1 3.39Å; R56-E399 PolarHBondContact N-OE1 3.29Å; R56-E399 WeakPolarHBondContact O-CG 3.5Å |
| 57 | D | 82.7 | Confident | 85.9 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | trans | -78.6 | -177.1 | 171.5 | 73.6 | 10.8 | 0 | 0 | 0 | 113.1 | N59 N60 V61 H63 | D57-N59 PolarHBondContact O-N 3.43Å; D57-N59 VanDerWaalsContact OD1-CA 3.29Å; D57-N59 WeakPolarHBondContact OD1-CA 3.48Å; D57-N59 WeakPolarHBondContact OD1-CB 3.37Å; D57-N59 PolarHBondContact OD1-N 2.87Å; D57-N60 PolarHBondContact O-N 3.17Å; D57-N60 PolarHBondContact OD1-N 2.93Å; D57-V61 PolarHBondContact N-O 2.79Å; D57-V61 PolarHBondContact OD1-N 3.44Å; D57-H63 IonicContact OD2-CD2 3.6Å; D57-H63 IonicContact OD2-CE1 2.68Å; D57-H63 IonicContact OD2-NE2 3.88Å; D57-H63 PolarHBondContact OD2-NE2 2.79Å | ||
| 58 | N | 77.3 | Confident | 86 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23 | 175.2 | -87.4 | 67.7 | 0 | 0 | 0 | 114.9 | N60 M402 R403 N406 | N58-N60 VanDerWaalsContact C-N 3.34Å; N58-M402 PolarHBondContact OD1-O 3.27Å; N58-R403 WeakPolarHBondContact OD1-CA 3.39Å; N58-N406 VanDerWaalsContact ND2-CB 3.28Å; N58-N406 WeakPolarHBondContact ND2-CB 3.24Å; N58-N406 PolarHBondContact OD1-ND2 2.93Å |
| 59 | N | 80.6 | Confident | 86.1 | Confident | 107 Ų | 107 | 62 Ų | 62 | 57% | 0.572 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 6.6 | 178.4 | -54.4 | -66 | 0 | 0 | 0 | 111.9 | D57 V61 | D57-N59 PolarHBondContact O-N 3.43Å; D57-N59 VanDerWaalsContact OD1-CA 3.29Å; D57-N59 WeakPolarHBondContact OD1-CA 3.48Å; D57-N59 WeakPolarHBondContact OD1-CB 3.37Å; D57-N59 PolarHBondContact OD1-N 2.87Å; N59-V61 HydrophobicContact CB-CG2 4.11Å; N59-V61 PolarHBondContact O-N 3.08Å |
| 60 | N | 83.2 | Confident | 86.3 | Confident | 106 Ų | 106 | 62 Ų | 62 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | trans | 60.5 | 18.6 | -169.5 | -60.7 | -74.9 | 0 | 0 | 0 | 114.7 | D57 N58 | D57-N60 PolarHBondContact O-N 3.17Å; D57-N60 PolarHBondContact OD1-N 2.93Å; N58-N60 VanDerWaalsContact C-N 3.34Å | ||
| 61 | V | 85.8 | Confident | 86.8 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | trans | -72.4 | 131.5 | 172 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | R56 D57 N59 H63 | R56-V61 WeakPolarHBondContact CA-O 3.42Å; D57-V61 PolarHBondContact N-O 2.79Å; D57-V61 PolarHBondContact OD1-N 3.44Å; N59-V61 HydrophobicContact CB-CG2 4.11Å; N59-V61 PolarHBondContact O-N 3.08Å; V61-H63 PolarHBondContact O-CD2 3.36Å | ||
| 62 | V | 88.2 | Confident | 87.2 | Confident | 84 Ų | 84 | 54.7 Ų | 54.7 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 121 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | T54 R56 | T54-V62 HydrophobicContact CG2-CG1 4.12Å; R56-V62 HydrophobicContact CG-CG2 4.11Å |
| 63 | H | 87.5 | Confident | 86.9 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 25% | 0.25 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 143.1 | 173.8 | -62.9 | -94.1 | 0 | 0 | 0 | 109.6 | T54 F55 D57 V61 Q531 | T54-H63 CarbonylContact C-O 3.51Å; T54-H63 WeakPolarHBondContact CA-O 3.35Å; T54-H63 WeakPolarHBondContact CB-O 3.32Å; F55-H63 HydrophobicContact CD1-CB 4.3Å; F55-H63 HydrophobicContact CE1-CB 4.03Å; F55-H63 PolarHBondContact N-O 2.86Å; F55-H63 PolarHBondContact O-N 2.72Å; D57-H63 IonicContact OD2-CD2 3.6Å; D57-H63 IonicContact OD2-CE1 2.68Å; D57-H63 IonicContact OD2-NE2 3.88Å; D57-H63 PolarHBondContact OD2-NE2 2.79Å; V61-H63 PolarHBondContact O-CD2 3.36Å; H63-Q531 PolarHBondContact CD2-NE2 2.97Å |
| 64 | S | 89.7 | Confident | 86.6 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 43% | 0.434 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129 | 176 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | V53 | V53-S64 CarbonylContact O-C 3.49Å; V53-S64 WeakPolarHBondContact O-CA 3.28Å |
| 65 | V | 89.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.2 | 178.5 | -175.6 | 0 | 0 | 0 | 0 | 107.5 | V53 F55 L68 F529 Q530 | V53-V65 HydrophobicContact CG2-CB 3.97Å; V53-V65 PolarHBondContact N-O 3.48Å; V53-V65 PolarHBondContact O-N 2.84Å; F55-V65 HydrophobicContact CD1-CG2 3.58Å; F55-V65 HydrophobicContact CE1-CG2 3.41Å; F55-V65 VanDerWaalsContact CE1-CG2 3.41Å; V65-L68 HydrophobicContact CG1-CB 4.05Å; V65-L68 HydrophobicContact CG1-CD1 4.14Å; V65-L68 HydrophobicContact CG1-CG 4.5Å; V65-F529 HydrophobicContact CG2-CB 4.47Å; V65-Q530 HydrophobicContact CG1-CB 4.45Å; V65-Q530 HydrophobicContact CG1-CG 3.91Å |
| 66 | K | 87.8 | Confident | 85.4 | Confident | 115 Ų | 115 | 56.3 Ų | 56.3 | 50% | 0.5 | 29% | 0.294 | S | S | . | . | trans | -101.3 | 137.2 | -170.4 | -55.8 | -159.2 | 171.2 | -168.8 | 0 | 111.8 | D52 L68 Q530 | D52-K66 WeakPolarHBondContact OD1-CA 3.04Å; D52-K66 WeakPolarHBondContact OD1-CB 3.22Å; D52-K66 WeakPolarHBondContact OD2-CD 3.13Å; D52-K66 WeakPolarHBondContact OD2-CE 3.22Å; D52-K66 WeakPolarHBondContact OD2-CG 3.47Å; D52-K66 IonicContact OD2-NZ 3.22Å; K66-L68 PolarHBondContact O-N 2.93Å; K66-Q530 PolarHBondContact O-NE2 2.76Å | ||
| 67 | N | 83.5 | Confident | 84.3 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 47.4 | 45.3 | -179.2 | -59.8 | -88.5 | 0 | 0 | 0 | 112.6 | Q48 D52 Q69 | Q48-N67 HydrophobicContact CG-CB 4.48Å; Q48-N67 PolarHBondContact NE2-OD1 3.35Å; Q48-N67 VanDerWaalsContact NE2-OD1 3.11Å; D52-N67 PolarHBondContact OD1-N 3.17Å; N67-Q69 PolarHBondContact O-N 3.4Å |
| 68 | L | 89.8 | Confident | 82.9 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -56 | 117.5 | -178.2 | 175.7 | 59.1 | 0 | 0 | 0 | 109.7 | P18 L49 V53 V65 K66 L70 F529 | P18-L68 HydrophobicContact CG-CD1 4.26Å; L49-L68 HydrophobicContact CD1-CB 4.14Å; L49-L68 HydrophobicContact CD1-CD2 4.09Å; L49-L68 HydrophobicContact CD1-CG 4.39Å; L49-L68 HydrophobicContact CG-CB 4.44Å; L49-L68 PolarHBondContact N-O 2.67Å; V53-L68 HydrophobicContact CG2-CB 4.26Å; V53-L68 HydrophobicContact CG2-CD2 3.99Å; V65-L68 HydrophobicContact CG1-CB 4.05Å; V65-L68 HydrophobicContact CG1-CD1 4.14Å; V65-L68 HydrophobicContact CG1-CG 4.5Å; K66-L68 PolarHBondContact O-N 2.93Å; L68-L70 HydrophobicContact CD1-CD2 4.49Å; L68-L70 HydrophobicContact CG-CD2 4.34Å; L68-F529 HydrophobicContact CD1-CD1 4.44Å; L68-F529 HydrophobicContact CD1-CE1 4.17Å; L68-F529 HydrophobicContact CD2-CE1 4Å |
| 69 | Q | 89.5 | Confident | 81.8 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -103.6 | 132.6 | 175.4 | -174.4 | 173.7 | 14.2 | 0 | 0 | 109.2 | S17 P18 S47 N67 | S17-Q69 WeakPolarHBondContact CB-O 3.5Å; P18-Q69 WeakPolarHBondContact CD-O 3.41Å; S47-Q69 WeakPolarHBondContact O-CA 3.23Å; N67-Q69 PolarHBondContact O-N 3.4Å |
| 70 | L | 92.3 | Very high | 80.6 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 160.7 | 170.3 | -54.9 | -178.2 | 0 | 0 | 0 | 109.8 | P18 S47 L68 F72 V386 F389 L394 | P18-L70 HydrophobicContact CB-CD2 3.85Å; P18-L70 HydrophobicContact CG-CD2 4.27Å; S47-L70 WeakPolarHBondContact CB-O 3.49Å; S47-L70 PolarHBondContact O-N 3.41Å; L68-L70 HydrophobicContact CD1-CD2 4.49Å; L68-L70 HydrophobicContact CG-CD2 4.34Å; L70-F72 HydrophobicContact CB-CE2 4.42Å; L70-F72 HydrophobicContact CB-CZ 4.29Å; L70-F72 HydrophobicContact CD1-CE1 4.33Å; L70-F72 HydrophobicContact CD1-CZ 3.86Å; L70-V386 HydrophobicContact CD1-CG1 4.42Å; L70-F389 HydrophobicContact CD1-CD1 4.17Å; L70-F389 HydrophobicContact CD1-CE1 4.01Å; L70-L394 HydrophobicContact CD1-CD2 4.37Å; L70-L394 HydrophobicContact CD2-CD2 3.68Å |
| 71 | K | 89.8 | Confident | 79.2 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.5 | 161.1 | -77.3 | 171.9 | -172.1 | 158.9 | 0 | 109.2 | F14 V15 S17 P18 V20 F73 | F14-K71 WeakPolarHBondContact O-CE 3.34Å; F14-K71 PolarHBondContact O-NZ 2.87Å; V15-K71 PolarHBondContact O-NZ 2.64Å; S17-K71 WeakPolarHBondContact OG-CD 3.41Å; S17-K71 WeakPolarHBondContact OG-CE 3.3Å; S17-K71 VanDerWaalsContact OG-CG 3.28Å; S17-K71 WeakPolarHBondContact OG-CG 3.42Å; S17-K71 PolarHBondContact OG-NZ 3.15Å; P18-K71 PolarHBondContact O-N 3.36Å; V20-K71 PolarHBondContact N-O 3.01Å; K71-F73 HydrophobicContact CB-CD2 4.17Å; K71-F73 HydrophobicContact CB-CE2 3.49Å; K71-F73 VanDerWaalsContact CB-CE2 3.49Å; K71-F73 HydrophobicContact CB-CZ 3.88Å; K71-F73 HydrophobicContact CD-CE2 4.12Å; K71-F73 HydrophobicContact CD-CZ 3.83Å; K71-F73 HydrophobicContact CG-CE2 4.4Å; K71-F73 HydrophobicContact CG-CZ 4.36Å |
| 72 | F | 90.6 | Very high | 78.1 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 137.9 | 169.6 | -58.8 | -70.3 | 0 | 0 | 0 | 108.9 | V20 L22 E40 L43 L70 I149 V386 | V20-F72 HydrophobicContact CB-CD1 3.83Å; V20-F72 HydrophobicContact CB-CE1 4.04Å; V20-F72 HydrophobicContact CG1-CD1 3.87Å; V20-F72 HydrophobicContact CG1-CE1 3.95Å; V20-F72 HydrophobicContact CG2-CE1 4.45Å; V20-F72 WeakPolarHBondContact O-CA 3.22Å; L22-F72 HydrophobicContact CD1-CB 4.02Å; L22-F72 HydrophobicContact CD2-CB 4.33Å; L22-F72 HydrophobicContact CD2-CD1 3.97Å; L22-F72 HydrophobicContact CD2-CG 4.5Å; L22-F72 HydrophobicContact CG-CB 4.21Å; E40-F72 HydrophobicContact CG-CB 4.14Å; E40-F72 WeakPolarHBondContact CG-O 3.34Å; L43-F72 HydrophobicContact CB-CD2 3.72Å; L43-F72 HydrophobicContact CB-CE2 4.01Å; L43-F72 HydrophobicContact CB-CG 4.3Å; L43-F72 HydrophobicContact CD1-CD1 4.12Å; L43-F72 HydrophobicContact CD1-CD2 4.16Å; L43-F72 HydrophobicContact CD1-CE1 4.25Å; L43-F72 HydrophobicContact CD1-CE2 4.28Å; L43-F72 HydrophobicContact CD1-CG 4.08Å; L43-F72 HydrophobicContact CD1-CZ 4.33Å; L70-F72 HydrophobicContact CB-CE2 4.42Å; L70-F72 HydrophobicContact CB-CZ 4.29Å; L70-F72 HydrophobicContact CD1-CE1 4.33Å; L70-F72 HydrophobicContact CD1-CZ 3.86Å; F72-I149 HydrophobicContact CD1-CD1 4.3Å; F72-I149 HydrophobicContact CE1-CD1 3.85Å; F72-V386 HydrophobicContact CE2-CG1 4.22Å; F72-V386 HydrophobicContact CE2-CG2 4.26Å; F72-V386 HydrophobicContact CZ-CG1 3.98Å; F72-V386 HydrophobicContact CZ-CG2 4.2Å |
| 73 | F | 82.7 | Confident | 76.7 | Confident | 81 Ų | 81 | 59.2 Ų | 59.2 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 126.9 | 177.7 | -64.8 | -77.6 | 0 | 0 | 0 | 110.1 | C19 V20 G21 L22 E40 K71 I75 | C19-F73 HydrophobicContact CB-CD2 4.35Å; C19-F73 HydrophobicContact CB-CE2 4.16Å; V20-F73 PolarHBondContact O-N 2.84Å; V20-F73 VanDerWaalsContact O-N 3.08Å; G21-F73 CarbonylContact C-O 3.59Å; G21-F73 WeakPolarHBondContact CA-O 3.34Å; L22-F73 PolarHBondContact N-O 3.06Å; E40-F73 WeakPolarHBondContact OE2-CA 3.18Å; K71-F73 HydrophobicContact CB-CD2 4.17Å; K71-F73 HydrophobicContact CB-CE2 3.49Å; K71-F73 VanDerWaalsContact CB-CE2 3.49Å; K71-F73 HydrophobicContact CB-CZ 3.88Å; K71-F73 HydrophobicContact CD-CE2 4.12Å; K71-F73 HydrophobicContact CD-CZ 3.83Å; K71-F73 HydrophobicContact CG-CE2 4.4Å; K71-F73 HydrophobicContact CG-CZ 4.36Å; F73-I75 PolarHBondContact O-N 3.26Å |
| 74 | D | 83 | Confident | 75.2 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 11% | 0.112 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 116.4 | 168.1 | -171.6 | -24.2 | 0 | 0 | 0 | 110.3 | E40 S76 S77 | E40-D74 PolarHBondContact OE2-N 2.91Å; D74-S76 VanDerWaalsContact CG-OG 3.3Å; D74-S76 PolarHBondContact O-N 2.91Å; D74-S76 WeakPolarHBondContact OD1-CA 3.48Å; D74-S76 WeakPolarHBondContact OD1-CB 3.43Å; D74-S76 PolarHBondContact OD1-N 2.8Å; D74-S76 PolarHBondContact OD1-OG 2.89Å; D74-S76 PolarHBondContact OD2-OG 2.84Å; D74-S77 WeakPolarHBondContact O-CB 3Å; D74-S77 PolarHBondContact O-N 2.89Å; D74-S77 PolarHBondContact O-OG 3.12Å |
| 75 | I | 80.7 | Confident | 74 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26 | -179.1 | -71.6 | 162.6 | 0 | 0 | 0 | 112 | L22 L23 F73 S77 Q173 P182 W184 | L22-I75 WeakPolarHBondContact O-CB 2.99Å; L22-I75 PolarHBondContact O-N 2.91Å; L23-I75 HydrophobicContact CD1-CD1 4.17Å; L23-I75 HydrophobicContact CD2-CB 3.96Å; L23-I75 HydrophobicContact CD2-CG2 3.92Å; L23-I75 HydrophobicContact CG-CB 4.03Å; L23-I75 HydrophobicContact CG-CD1 3.83Å; L23-I75 HydrophobicContact CG-CG2 4.2Å; F73-I75 PolarHBondContact O-N 3.26Å; I75-S77 VanDerWaalsContact C-N 3.33Å; I75-Q173 VanDerWaalsContact CG2-OE1 3.26Å; I75-P182 HydrophobicContact CB-CG 4.47Å; I75-P182 HydrophobicContact CG1-CG 4.13Å; I75-P182 HydrophobicContact CG2-CG 3.73Å; I75-W184 HydrophobicContact CD1-CH2 3.45Å; I75-W184 VanDerWaalsContact CD1-CH2 3.45Å; I75-W184 HydrophobicContact CD1-CZ2 4.02Å; I75-W184 HydrophobicContact CD1-CZ3 4.36Å; I75-W184 HydrophobicContact CG1-CH2 4.5Å |
| 76 | S | 72.2 | Confident | 72.9 | Confident | 83 Ų | 83 | 62 Ų | 62 | 58% | 0.58 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -14.4 | 175.1 | 75.4 | 0 | 0 | 0 | 0 | 113 | D74 C78 | D74-S76 VanDerWaalsContact CG-OG 3.3Å; D74-S76 PolarHBondContact O-N 2.91Å; D74-S76 WeakPolarHBondContact OD1-CA 3.48Å; D74-S76 WeakPolarHBondContact OD1-CB 3.43Å; D74-S76 PolarHBondContact OD1-N 2.8Å; D74-S76 PolarHBondContact OD1-OG 2.89Å; D74-S76 PolarHBondContact OD2-OG 2.84Å; S76-C78 PolarHBondContact O-N 2.98Å |
| 77 | S | 64.9 | Low | 71.7 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | trans | -71 | 114.9 | 178.2 | 74.6 | 0 | 0 | 0 | 0 | 111.1 | D74 I75 L79 | D74-S77 WeakPolarHBondContact O-CB 3Å; D74-S77 PolarHBondContact O-N 2.89Å; D74-S77 PolarHBondContact O-OG 3.12Å; I75-S77 VanDerWaalsContact C-N 3.33Å; S77-L79 PolarHBondContact O-N 3.26Å | ||
| 78 | C | 51.9 | Low | 70.9 | Confident | 128 Ų | 128 | 60.6 Ų | 60.6 | 87% | 0.865 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 120.7 | 177.8 | -163.7 | 0 | 0 | 0 | 0 | 109.7 | S76 S80 | S76-C78 PolarHBondContact O-N 2.98Å; C78-S80 PolarHBondContact O-N 2.84Å |
| 79 | L | 55.6 | Low | 70.1 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 45% | 0.445 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 134.8 | 179.7 | -73.9 | 169.9 | 0 | 0 | 0 | 111.6 | S77 Q135 | S77-L79 PolarHBondContact O-N 3.26Å; L79-Q135 HydrophobicContact CD1-CG 4.19Å |
| 80 | S | 54.2 | Low | 69.6 | Low | 45 Ų | 45 | 65 Ų | 65 | 32% | 0.315 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 131 | -178.3 | 72.5 | 0 | 0 | 0 | 0 | 111.5 | C78 K82 T85 N133 | C78-S80 PolarHBondContact O-N 2.84Å; S80-K82 PolarHBondContact O-N 3.02Å; S80-T85 PolarHBondContact O-OG1 3.35Å; S80-T85 PolarHBondContact OG-OG1 2.99Å; S80-N133 PolarHBondContact OG-OD1 2.98Å |
| 81 | P | 54.5 | Low | 68.8 | Low | 69 Ų | 69 | 69.2 Ų | 69.2 | 45% | 0.448 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 136.7 | 175 | -26.9 | 34.3 | 0 | 0 | 0 | 111.4 | H83 I84 T85 | P81-H83 PolarHBondContact O-N 3.27Å; P81-I84 HydrophobicContact CB-CG1 4.39Å; P81-I84 HydrophobicContact CG-CD1 4.31Å; P81-I84 WeakPolarHBondContact O-CA 3.31Å; P81-I84 WeakPolarHBondContact O-CB 3.35Å; P81-I84 PolarHBondContact O-N 3.38Å; P81-T85 PolarHBondContact O-N 2.99Å; P81-T85 PolarHBondContact O-OG1 3.03Å |
| 82 | K | 61.4 | Low | 67.8 | Low | 121 Ų | 121 | 69 Ų | 69 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -46.1 | -35.9 | -172.6 | -72.5 | -166.2 | 179.8 | -174 | 0 | 114.3 | S80 T85 Q86 E597 | S80-K82 PolarHBondContact O-N 3.02Å; K82-T85 PolarHBondContact O-N 3.47Å; K82-Q86 WeakPolarHBondContact O-CB 3.45Å; K82-Q86 WeakPolarHBondContact O-CG 3.28Å; K82-Q86 PolarHBondContact O-N 3.25Å; K82-E597 IonicContact NZ-OE1 3.25Å; K82-E597 PolarHBondContact NZ-OE1 2.88Å |
| 83 | H | 60 | Low | 67.3 | Low | 125 Ų | 125 | 68.4 Ų | 68.4 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.1 | -35.1 | 179.1 | 67.8 | -100.6 | 0 | 0 | 0 | 113.6 | P81 S87 | P81-H83 PolarHBondContact O-N 3.27Å; H83-S87 WeakPolarHBondContact O-CB 3.34Å; H83-S87 PolarHBondContact O-N 3.32Å; H83-S87 PolarHBondContact O-OG 3.23Å |
| 84 | I | 54.7 | Low | 67.1 | Low | 58 Ų | 58 | 66.2 Ų | 66.2 | 30% | 0.297 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.9 | -47.8 | 172.3 | -54.4 | -167.2 | 0 | 0 | 0 | 108.5 | P81 Q86 S87 W88 | P81-I84 HydrophobicContact CB-CG1 4.39Å; P81-I84 HydrophobicContact CG-CD1 4.31Å; P81-I84 WeakPolarHBondContact O-CA 3.31Å; P81-I84 WeakPolarHBondContact O-CB 3.35Å; P81-I84 PolarHBondContact O-N 3.38Å; I84-Q86 PolarHBondContact O-N 3.16Å; I84-S87 PolarHBondContact O-N 3.24Å; I84-S87 VanDerWaalsContact O-N 3.09Å; I84-W88 HydrophobicContact CG2-CG 4.41Å; I84-W88 WeakPolarHBondContact O-CB 3.44Å; I84-W88 VanDerWaalsContact O-CD1 3.31Å; I84-W88 PolarHBondContact O-N 3.45Å |
| 85 | T | 64.5 | Low | 66.5 | Low | 21 Ų | 21 | 66.4 Ų | 66.4 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.6 | -48.4 | 178.2 | -28.7 | 0 | 0 | 0 | 0 | 111.9 | S80 P81 K82 S87 W88 V89 N133 | S80-T85 PolarHBondContact O-OG1 3.35Å; S80-T85 PolarHBondContact OG-OG1 2.99Å; P81-T85 PolarHBondContact O-N 2.99Å; P81-T85 PolarHBondContact O-OG1 3.03Å; K82-T85 PolarHBondContact O-N 3.47Å; T85-S87 VanDerWaalsContact C-N 3.33Å; T85-S87 PolarHBondContact O-N 2.93Å; T85-W88 PolarHBondContact O-N 2.88Å; T85-V89 VanDerWaalsContact O-CB 3.31Å; T85-V89 WeakPolarHBondContact O-CB 3.3Å; T85-V89 WeakPolarHBondContact O-CG2 3.19Å; T85-V89 PolarHBondContact O-N 2.86Å; T85-N133 HydrophobicContact CG2-CB 3.73Å; T85-N133 VanDerWaalsContact CG2-CG 3.4Å; T85-N133 WeakPolarHBondContact CG2-OD1 3.47Å |
| 86 | Q | 67.7 | Low | 66.1 | Low | 97 Ų | 97 | 65.4 Ų | 65.4 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 176.5 | -76.5 | 179.9 | -6.4 | 0 | 0 | 113 | K82 I84 R90 | K82-Q86 WeakPolarHBondContact O-CB 3.45Å; K82-Q86 WeakPolarHBondContact O-CG 3.28Å; K82-Q86 PolarHBondContact O-N 3.25Å; I84-Q86 PolarHBondContact O-N 3.16Å; Q86-R90 WeakPolarHBondContact O-CG 2.93Å; Q86-R90 PolarHBondContact O-N 2.86Å |
| 87 | S | 63.3 | Low | 66.2 | Low | 65 Ų | 65 | 61.7 Ų | 61.7 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.2 | -42.8 | 179.6 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | H83 I84 T85 R90 Y91 | H83-S87 WeakPolarHBondContact O-CB 3.34Å; H83-S87 PolarHBondContact O-N 3.32Å; H83-S87 PolarHBondContact O-OG 3.23Å; I84-S87 PolarHBondContact O-N 3.24Å; I84-S87 VanDerWaalsContact O-N 3.09Å; T85-S87 VanDerWaalsContact C-N 3.33Å; T85-S87 PolarHBondContact O-N 2.93Å; S87-R90 PolarHBondContact O-N 3.37Å; S87-Y91 PolarHBondContact O-N 2.83Å |
| 88 | W | 66 | Low | 66.2 | Low | 105 Ų | 105 | 61.3 Ų | 61.3 | 40% | 0.398 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 172.8 | -82.7 | 48.1 | 0 | 0 | 0 | 112 | I84 T85 R90 Y91 F92 L362 | I84-W88 HydrophobicContact CG2-CG 4.41Å; I84-W88 WeakPolarHBondContact O-CB 3.44Å; I84-W88 VanDerWaalsContact O-CD1 3.31Å; I84-W88 PolarHBondContact O-N 3.45Å; T85-W88 PolarHBondContact O-N 2.88Å; W88-R90 PolarHBondContact O-N 2.9Å; W88-Y91 WeakPolarHBondContact O-CB 3.46Å; W88-Y91 PolarHBondContact O-N 2.87Å; W88-Y91 VanDerWaalsContact O-N 3.11Å; W88-F92 AromaticContact CE3-CE2 3.94Å; W88-F92 HydrophobicContact CE3-CE2 3.94Å; W88-F92 HydrophobicContact CZ3-CE2 4.43Å; W88-F92 WeakPolarHBondContact O-CD2 3.17Å; W88-F92 PolarHBondContact O-N 3.04Å; W88-L362 HydrophobicContact CH2-CD2 3.4Å; W88-L362 HydrophobicContact CZ2-CD2 3.65Å; W88-L362 HydrophobicContact CZ3-CD2 4.32Å |
| 89 | V | 73.8 | Confident | 66.7 | Low | 16 Ų | 16 | 56 Ų | 56 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 175.9 | 164.8 | 0 | 0 | 0 | 0 | 111.3 | T85 Y91 V93 W126 L129 | T85-V89 VanDerWaalsContact O-CB 3.31Å; T85-V89 WeakPolarHBondContact O-CB 3.3Å; T85-V89 WeakPolarHBondContact O-CG2 3.19Å; T85-V89 PolarHBondContact O-N 2.86Å; V89-Y91 VanDerWaalsContact C-N 3.32Å; V89-Y91 PolarHBondContact O-N 3.23Å; V89-V93 HydrophobicContact CG1-CG2 4.47Å; V89-V93 VanDerWaalsContact O-CB 3.31Å; V89-V93 WeakPolarHBondContact O-CB 3.28Å; V89-V93 WeakPolarHBondContact O-CG2 3.27Å; V89-V93 PolarHBondContact O-N 2.89Å; V89-W126 VanDerWaalsContact CG1-CD1 3.44Å; V89-W126 HydrophobicContact CG1-CG 4.47Å; V89-L129 HydrophobicContact CG2-CB 3.79Å; V89-L129 HydrophobicContact CG2-CD1 4.04Å |
| 90 | R | 78.9 | Confident | 67 | Low | 106 Ų | 106 | 59.7 Ų | 59.7 | 40% | 0.4 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 173.1 | -77.9 | 166.6 | -178.9 | 155.5 | 4.2 | 112.2 | Q86 S87 W88 N94 L633 | Q86-R90 WeakPolarHBondContact O-CG 2.93Å; Q86-R90 PolarHBondContact O-N 2.86Å; S87-R90 PolarHBondContact O-N 3.37Å; W88-R90 PolarHBondContact O-N 2.9Å; R90-N94 PolarHBondContact O-N 3.21Å; R90-N94 VanDerWaalsContact O-N 3.16Å; R90-L633 HydrophobicContact CG-CD2 3.72Å |
| 91 | Y | 73.8 | Confident | 67.1 | Low | 89 Ų | 89 | 62.5 Ų | 62.5 | 35% | 0.349 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -51.9 | 177.6 | 177.6 | -99.5 | 0 | 0 | 0 | 112.4 | S87 W88 V89 V93 N94 M95 L295 | S87-Y91 PolarHBondContact O-N 2.83Å; W88-Y91 WeakPolarHBondContact O-CB 3.46Å; W88-Y91 PolarHBondContact O-N 2.87Å; W88-Y91 VanDerWaalsContact O-N 3.11Å; V89-Y91 VanDerWaalsContact C-N 3.32Å; V89-Y91 PolarHBondContact O-N 3.23Å; Y91-V93 VanDerWaalsContact C-N 3.34Å; Y91-V93 PolarHBondContact O-N 2.83Å; Y91-N94 PolarHBondContact O-N 2.76Å; Y91-N94 VanDerWaalsContact O-N 3.15Å; Y91-M95 HydrophobicContact CD1-CG 4.18Å; Y91-M95 HydrophobicContact CD2-CG 4.35Å; Y91-M95 HydrophobicContact CE1-CG 3.74Å; Y91-M95 HydrophobicContact CE2-CE 4.42Å; Y91-M95 HydrophobicContact CE2-CG 3.94Å; Y91-M95 HydrophobicContact CE2-SD 4.2Å; Y91-M95 HydrophobicContact CG-CG 4.46Å; Y91-M95 WeakPolarHBondContact O-CG 3.12Å; Y91-M95 PolarHBondContact O-N 3.44Å; Y91-L295 WeakPolarHBondContact OH-CD2 3.34Å |
| 92 | F | 69 | Low | 67.6 | Low | 34 Ų | 34 | 60.1 Ų | 60.1 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 178.3 | -87.4 | -75.4 | 0 | 0 | 0 | 112.7 | W88 M95 C96 L129 L283 | W88-F92 AromaticContact CE3-CE2 3.94Å; W88-F92 HydrophobicContact CE3-CE2 3.94Å; W88-F92 HydrophobicContact CZ3-CE2 4.43Å; W88-F92 WeakPolarHBondContact O-CD2 3.17Å; W88-F92 PolarHBondContact O-N 3.04Å; F92-M95 PolarHBondContact O-N 3.34Å; F92-C96 WeakPolarHBondContact O-CB 3.29Å; F92-C96 PolarHBondContact O-N 2.97Å; F92-C96 PolarHBondContact O-SG 2.75Å; F92-L129 HydrophobicContact CB-CD1 3.77Å; F92-L129 HydrophobicContact CD2-CD1 3.9Å; F92-L129 HydrophobicContact CG-CD1 3.93Å; F92-L283 HydrophobicContact CD1-CD2 3.72Å; F92-L283 HydrophobicContact CE1-CD2 3.68Å |
| 93 | V | 81.4 | Confident | 67.9 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 173.8 | 165.7 | 0 | 0 | 0 | 0 | 111.4 | V89 Y91 S97 W122 W126 L633 L676 | V89-V93 HydrophobicContact CG1-CG2 4.47Å; V89-V93 VanDerWaalsContact O-CB 3.31Å; V89-V93 WeakPolarHBondContact O-CB 3.28Å; V89-V93 WeakPolarHBondContact O-CG2 3.27Å; V89-V93 PolarHBondContact O-N 2.89Å; Y91-V93 VanDerWaalsContact C-N 3.34Å; Y91-V93 PolarHBondContact O-N 2.83Å; V93-S97 WeakPolarHBondContact O-CB 3.34Å; V93-S97 PolarHBondContact O-N 2.97Å; V93-W122 HydrophobicContact CG1-CB 4.31Å; V93-W122 WeakPolarHBondContact O-CB 3.4Å; V93-W126 HydrophobicContact CG2-CB 3.75Å; V93-W126 HydrophobicContact CG2-CG 4.42Å; V93-L633 HydrophobicContact CG1-CD1 4.23Å; V93-L676 HydrophobicContact CG1-CD1 3.42Å; V93-L676 VanDerWaalsContact CG1-CD1 3.42Å |
| 94 | N | 78.1 | Confident | 68.9 | Low | 36 Ų | 36 | 59.7 Ų | 59.7 | 19% | 0.193 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 177.2 | -167.7 | 57 | 0 | 0 | 0 | 111.8 | R90 Y91 C96 S97 I675 | R90-N94 PolarHBondContact O-N 3.21Å; R90-N94 VanDerWaalsContact O-N 3.16Å; Y91-N94 PolarHBondContact O-N 2.76Å; Y91-N94 VanDerWaalsContact O-N 3.15Å; N94-C96 PolarHBondContact O-N 3.19Å; N94-S97 WeakPolarHBondContact O-CB 3.46Å; N94-S97 PolarHBondContact O-N 3.02Å; N94-S97 VanDerWaalsContact O-N 3.08Å; N94-S97 PolarHBondContact O-OG 2.93Å; N94-I675 WeakPolarHBondContact OD1-CD1 3.04Å |
| 95 | M | 70.5 | Confident | 70.1 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 177.9 | -69.7 | -65.2 | 98 | 0 | 0 | 113.1 | Y91 F92 S97 T98 L295 L299 | Y91-M95 HydrophobicContact CD1-CG 4.18Å; Y91-M95 HydrophobicContact CD2-CG 4.35Å; Y91-M95 HydrophobicContact CE1-CG 3.74Å; Y91-M95 HydrophobicContact CE2-CE 4.42Å; Y91-M95 HydrophobicContact CE2-CG 3.94Å; Y91-M95 HydrophobicContact CE2-SD 4.2Å; Y91-M95 HydrophobicContact CG-CG 4.46Å; Y91-M95 WeakPolarHBondContact O-CG 3.12Å; Y91-M95 PolarHBondContact O-N 3.44Å; F92-M95 PolarHBondContact O-N 3.34Å; M95-S97 PolarHBondContact O-N 3.42Å; M95-T98 PolarHBondContact O-OG1 3.24Å; M95-L295 HydrophobicContact SD-CG 4.43Å; M95-L299 HydrophobicContact CE-CD1 4.47Å |
| 96 | C | 71.5 | Confident | 71 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75.5 | -12.2 | 175.2 | -63.6 | 0 | 0 | 0 | 0 | 113 | F92 N94 P121 W122 | F92-C96 WeakPolarHBondContact O-CB 3.29Å; F92-C96 PolarHBondContact O-N 2.97Å; F92-C96 PolarHBondContact O-SG 2.75Å; N94-C96 PolarHBondContact O-N 3.19Å; C96-P121 HydrophobicContact CB-CB 4.49Å; C96-W122 HydrophobicContact CB-CB 3.82Å |
| 97 | S | 74.6 | Confident | 71.7 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10.6 | -176.4 | 78 | 0 | 0 | 0 | 0 | 115.2 | V93 N94 M95 I675 L676 | V93-S97 WeakPolarHBondContact O-CB 3.34Å; V93-S97 PolarHBondContact O-N 2.97Å; N94-S97 WeakPolarHBondContact O-CB 3.46Å; N94-S97 PolarHBondContact O-N 3.02Å; N94-S97 VanDerWaalsContact O-N 3.08Å; N94-S97 PolarHBondContact O-OG 2.93Å; M95-S97 PolarHBondContact O-N 3.42Å; S97-I675 WeakPolarHBondContact OG-CG2 3.24Å; S97-L676 VanDerWaalsContact CB-CD2 3.45Å |
| 98 | T | 65.8 | Low | 72.3 | Confident | 57 Ų | 57 | 63.4 Ų | 63.4 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -5.5 | 175.8 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | M95 N100 I675 | M95-T98 PolarHBondContact O-OG1 3.24Å; T98-N100 PolarHBondContact O-N 3.07Å; T98-N100 PolarHBondContact O-ND2 2.98Å; T98-I675 HydrophobicContact CG2-CD1 3.72Å; T98-I675 HydrophobicContact CG2-CG2 4.35Å |
| 99 | D | 62.2 | Low | 72.5 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | trans | -66.1 | 114.2 | -179.9 | -176.2 | 20.5 | 0 | 0 | 0 | 112.3 | T101 V102 Y291 | D99-T101 VanDerWaalsContact OD1-CB 3.3Å; D99-T101 WeakPolarHBondContact OD1-CB 3.41Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.25Å; D99-T101 PolarHBondContact OD1-N 2.96Å; D99-T101 PolarHBondContact OD1-OG1 3.16Å; D99-T101 PolarHBondContact OD2-OG1 3.49Å; D99-V102 HydrophobicContact CB-CG2 4.36Å; D99-V102 WeakPolarHBondContact OD2-CG2 3.41Å; D99-Y291 HydrophobicContact CB-CE1 3.99Å; D99-Y291 HydrophobicContact CB-CE2 3.92Å; D99-Y291 VanDerWaalsContact OD1-CE2 3.27Å; D99-Y291 WeakPolarHBondContact OD1-CE2 3.42Å | ||
| 100 | N | 60.5 | Low | 72 | Confident | 161 Ų | 161 | 65 Ų | 65 | 86% | 0.861 | 34% | 0.344 | S | S | * | . | trans | -100.3 | 0.7 | 174.2 | -67.8 | -74.5 | 0 | 0 | 0 | 113 | T98 V102 | T98-N100 PolarHBondContact O-N 3.07Å; T98-N100 PolarHBondContact O-ND2 2.98Å; N100-V102 VanDerWaalsContact C-N 3.27Å; N100-V102 PolarHBondContact O-N 3.19Å | ||
| 101 | T | 57 | Low | 71.4 | Confident | 105 Ų | 105 | 64.6 Ų | 64.6 | 64% | 0.644 | 36% | 0.358 | S | S | * | . | trans | -78.2 | -12.1 | 179.2 | 71.7 | 0 | 0 | 0 | 0 | 113.1 | D99 R103 | D99-T101 VanDerWaalsContact OD1-CB 3.3Å; D99-T101 WeakPolarHBondContact OD1-CB 3.41Å; D99-T101 WeakPolarHBondContact OD1-CG2 3.25Å; D99-T101 PolarHBondContact OD1-N 2.96Å; D99-T101 PolarHBondContact OD1-OG1 3.16Å; D99-T101 PolarHBondContact OD2-OG1 3.49Å; T101-R103 PolarHBondContact O-N 2.85Å; T101-R103 VanDerWaalsContact O-N 3.15Å | ||
| 102 | V | 65.9 | Low | 71.2 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 11% | 0.109 | 35% | 0.352 | C | S | . | . | trans | -57.8 | 115.1 | -175.4 | -175.8 | 0 | 0 | 0 | 0 | 112.8 | D99 N100 S104 P117 S119 P121 | D99-V102 HydrophobicContact CB-CG2 4.36Å; D99-V102 WeakPolarHBondContact OD2-CG2 3.41Å; N100-V102 VanDerWaalsContact C-N 3.27Å; N100-V102 PolarHBondContact O-N 3.19Å; V102-S104 PolarHBondContact O-N 2.87Å; V102-S104 PolarHBondContact O-OG 3.49Å; V102-P117 HydrophobicContact CB-CB 4.5Å; V102-P117 HydrophobicContact CG1-CB 3.76Å; V102-S119 WeakPolarHBondContact CG1-O 3.45Å; V102-S119 WeakPolarHBondContact CG1-OG 3.34Å; V102-P121 HydrophobicContact CG2-CG 3.82Å | ||
| 103 | R | 67.5 | Low | 71.5 | Confident | 177 Ų | 177 | 64.2 Ų | 64.2 | 67% | 0.668 | 36% | 0.363 | S | S | * | . | trans | -49.7 | 126.8 | 171.1 | -179.6 | -178.2 | -175.7 | 169.2 | 5.6 | 110.6 | T101 T118 | T101-R103 PolarHBondContact O-N 2.85Å; T101-R103 VanDerWaalsContact O-N 3.15Å; R103-T118 WeakPolarHBondContact O-CB 3.32Å; R103-T118 PolarHBondContact O-N 3.04Å; R103-T118 PolarHBondContact O-OG1 3.46Å | ||
| 104 | S | 79.9 | Confident | 71.5 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 157.8 | 179.5 | -66.7 | 0 | 0 | 0 | 0 | 113.1 | V102 V116 | V102-S104 PolarHBondContact O-N 2.87Å; V102-S104 PolarHBondContact O-OG 3.49Å; S104-V116 CarbonylContact C-O 3.6Å; S104-V116 VanDerWaalsContact CA-O 3.31Å; S104-V116 WeakPolarHBondContact CA-O 3.37Å; S104-V116 WeakPolarHBondContact CB-O 3.39Å |
| 105 | Q | 81 | Confident | 71.7 | Confident | 82 Ų | 82 | 67 Ų | 67 | 38% | 0.383 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140 | 177.5 | 173.7 | 171.8 | -16.7 | 0 | 0 | 110.4 | F107 V116 T118 | Q105-F107 HydrophobicContact CB-CE2 3.99Å; Q105-F107 HydrophobicContact CG-CD2 4.26Å; Q105-F107 HydrophobicContact CG-CE2 3.8Å; Q105-F107 HydrophobicContact CG-CZ 4.08Å; Q105-V116 PolarHBondContact N-O 3.36Å; Q105-V116 PolarHBondContact O-N 2.92Å; Q105-T118 HydrophobicContact CB-CG2 3.4Å |
| 106 | K | 83.6 | Confident | 72.3 | Confident | 134 Ų | 134 | 66 Ų | 66 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.7 | 174.9 | -168.5 | 176.8 | -178.7 | 177.8 | 0 | 109.9 | S113 V114 V115 | K106-S113 WeakPolarHBondContact CE-OG 3.37Å; K106-V114 CarbonylContact C-O 2.97Å; K106-V114 WeakPolarHBondContact CA-O 3.19Å; K106-V115 HydrophobicContact CB-CG2 4.35Å; K106-V115 HydrophobicContact CG-CG2 4.28Å |
| 107 | F | 81.4 | Confident | 72.6 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 136.6 | 172 | -67.2 | -95.9 | 0 | 0 | 0 | 109.1 | Q105 S113 V114 V116 L647 P652 L654 | Q105-F107 HydrophobicContact CB-CE2 3.99Å; Q105-F107 HydrophobicContact CG-CD2 4.26Å; Q105-F107 HydrophobicContact CG-CE2 3.8Å; Q105-F107 HydrophobicContact CG-CZ 4.08Å; F107-S113 CarbonylContact O-C 3.59Å; F107-S113 WeakPolarHBondContact O-CA 3.27Å; F107-V114 HydrophobicContact CB-CG1 4.14Å; F107-V114 PolarHBondContact N-O 2.86Å; F107-V114 PolarHBondContact O-N 2.97Å; F107-V116 HydrophobicContact CD2-CB 4.21Å; F107-V116 HydrophobicContact CD2-CG2 4.15Å; F107-V116 HydrophobicContact CE2-CB 4.22Å; F107-L647 HydrophobicContact CD1-CB 4.19Å; F107-L647 HydrophobicContact CD2-CD1 4.13Å; F107-L647 HydrophobicContact CE1-CB 3.99Å; F107-L647 WeakPolarHBondContact CE1-O 3.26Å; F107-L647 HydrophobicContact CE2-CD1 4.19Å; F107-L647 HydrophobicContact CG-CD1 4.4Å; F107-L647 HydrophobicContact CG-CD2 4.43Å; F107-L647 HydrophobicContact CZ-CB 4.28Å; F107-P652 HydrophobicContact CD1-CB 4.45Å; F107-P652 HydrophobicContact CD1-CG 4.39Å; F107-L654 HydrophobicContact CB-CD2 4.04Å |
| 108 | C | 75.8 | Confident | 72.5 | Confident | 69 Ų | 69 | 68 Ų | 68 | 47% | 0.466 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 145.7 | -178.3 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | R112 S113 | C108-R112 VanDerWaalsContact CA-O 3.24Å; C108-R112 WeakPolarHBondContact CA-O 3.33Å; C108-S113 WeakPolarHBondContact SG-CB 3.49Å |
| 109 | D | 70 | Confident | 73 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | trans | -105.7 | 6.2 | 173.6 | 69.5 | 16 | 0 | 0 | 0 | 113.8 | S111 R112 L654 | D109-S111 WeakPolarHBondContact OD1-CA 3.34Å; D109-S111 PolarHBondContact OD1-N 2.97Å; D109-S111 PolarHBondContact OD1-OG 3.24Å; D109-R112 PolarHBondContact N-O 2.91Å; D109-R112 PolarHBondContact OD1-N 3.23Å; D109-R112 WeakPolarHBondContact OD2-CD 3.04Å; D109-R112 IonicContact OD2-NE 3.59Å; D109-R112 PolarHBondContact OD2-NE 2.9Å; D109-L654 HydrophobicContact CB-CD1 3.85Å; D109-L654 HydrophobicContact CB-CG 4.14Å | ||
| 110 | G | 63.9 | Low | 74.1 | Confident | 84 Ų | 84 | 65 Ų | 65 | 87% | 0.866 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 99.7 | -27.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 111 | S | 66.2 | Low | 75 | Confident | 99 Ų | 99 | 57.3 Ų | 57.3 | 69% | 0.692 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -116.8 | -37.5 | -179.7 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | D109 | D109-S111 WeakPolarHBondContact OD1-CA 3.34Å; D109-S111 PolarHBondContact OD1-N 2.97Å; D109-S111 PolarHBondContact OD1-OG 3.24Å |
| 112 | R | 68.8 | Low | 76.3 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | trans | -109.3 | 159.2 | -179.8 | -53.4 | 172.1 | -149 | -126.4 | -11.7 | 109.7 | C108 D109 L654 I687 H691 | C108-R112 VanDerWaalsContact CA-O 3.24Å; C108-R112 WeakPolarHBondContact CA-O 3.33Å; D109-R112 PolarHBondContact N-O 2.91Å; D109-R112 PolarHBondContact OD1-N 3.23Å; D109-R112 WeakPolarHBondContact OD2-CD 3.04Å; D109-R112 IonicContact OD2-NE 3.59Å; D109-R112 PolarHBondContact OD2-NE 2.9Å; R112-L654 HydrophobicContact CB-CD1 3.94Å; R112-I687 PolarHBondContact NH1-O 2.76Å; R112-H691 PolarHBondContact NH1-CD2 2.74Å; R112-H691 VanDerWaalsContact NH1-CD2 3.33Å; R112-H691 PolarHBondContact NH1-CE1 2.76Å; R112-H691 VanDerWaalsContact NH1-CE1 3.26Å; R112-H691 PolarHBondContact NH1-ND1 3.13Å; R112-H691 PolarHBondContact NH1-NE2 2.97Å; R112-H691 VanDerWaalsContact NH1-NE2 3.15Å; R112-H691 PolarHBondContact NH2-CD2 3.09Å; R112-H691 VanDerWaalsContact NH2-CD2 3.31Å; R112-H691 PolarHBondContact NH2-NE2 3.48Å | ||
| 113 | S | 75.9 | Confident | 77.4 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 37% | 0.371 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 137.9 | 162.1 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | K106 F107 C108 | K106-S113 WeakPolarHBondContact CE-OG 3.37Å; F107-S113 CarbonylContact O-C 3.59Å; F107-S113 WeakPolarHBondContact O-CA 3.27Å; C108-S113 WeakPolarHBondContact SG-CB 3.49Å |
| 114 | V | 80.9 | Confident | 78.2 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.6 | 173.6 | 62.6 | 0 | 0 | 0 | 0 | 109.4 | K106 F107 V116 L654 F657 I687 | K106-V114 CarbonylContact C-O 2.97Å; K106-V114 WeakPolarHBondContact CA-O 3.19Å; F107-V114 HydrophobicContact CB-CG1 4.14Å; F107-V114 PolarHBondContact N-O 2.86Å; F107-V114 PolarHBondContact O-N 2.97Å; V114-V116 HydrophobicContact CB-CG2 4.33Å; V114-V116 HydrophobicContact CG1-CG2 3.77Å; V114-V116 HydrophobicContact CG2-CG2 3.79Å; V114-L654 HydrophobicContact CG1-CD2 3.81Å; V114-F657 HydrophobicContact CG2-CE1 4.38Å; V114-I687 HydrophobicContact CB-CD1 3.99Å; V114-I687 HydrophobicContact CB-CG1 4.12Å; V114-I687 HydrophobicContact CG1-CD1 4.02Å; V114-I687 HydrophobicContact CG2-CD1 4.11Å; V114-I687 HydrophobicContact CG2-CG1 4.42Å |
| 115 | V | 82.7 | Confident | 78 | Confident | 93 Ų | 93 | 40.9 Ų | 40.9 | 56% | 0.564 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.6 | 171.7 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | K106 | K106-V115 HydrophobicContact CB-CG2 4.35Å; K106-V115 HydrophobicContact CG-CG2 4.28Å |
| 116 | V | 83.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.6 | -171.1 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | S104 Q105 F107 V114 T118 H644 L647 F657 | S104-V116 CarbonylContact C-O 3.6Å; S104-V116 VanDerWaalsContact CA-O 3.31Å; S104-V116 WeakPolarHBondContact CA-O 3.37Å; S104-V116 WeakPolarHBondContact CB-O 3.39Å; Q105-V116 PolarHBondContact N-O 3.36Å; Q105-V116 PolarHBondContact O-N 2.92Å; F107-V116 HydrophobicContact CD2-CB 4.21Å; F107-V116 HydrophobicContact CD2-CG2 4.15Å; F107-V116 HydrophobicContact CE2-CB 4.22Å; V114-V116 HydrophobicContact CB-CG2 4.33Å; V114-V116 HydrophobicContact CG1-CG2 3.77Å; V114-V116 HydrophobicContact CG2-CG2 3.79Å; V116-T118 PolarHBondContact O-N 3.28Å; V116-H644 WeakPolarHBondContact CG1-CE1 3.49Å; V116-L647 HydrophobicContact CB-CD1 4.33Å; V116-L647 HydrophobicContact CG1-CD1 4.1Å; V116-L647 HydrophobicContact CG2-CD1 3.91Å; V116-F657 HydrophobicContact CG1-CE2 4.24Å; V116-F657 HydrophobicContact CG1-CZ 4.12Å; V116-F657 HydrophobicContact CG2-CE1 4.27Å; V116-F657 HydrophobicContact CG2-CE2 4.5Å; V116-F657 HydrophobicContact CG2-CZ 3.85Å |
| 117 | P | 77.8 | Confident | 78.5 | Confident | 29 Ų | 29 | 31.4 Ų | 31.4 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 135 | 172.4 | -28.1 | 36.5 | 0 | 0 | 0 | 111.9 | V102 L120 H644 | V102-P117 HydrophobicContact CB-CB 4.5Å; V102-P117 HydrophobicContact CG1-CB 3.76Å; P117-L120 HydrophobicContact CB-CD2 4.11Å; P117-H644 PolarHBondContact O-CE1 2.99Å |
| 118 | T | 72.9 | Confident | 78.5 | Confident | 21 Ų | 21 | 30.7 Ų | 30.7 | 13% | 0.129 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -82.2 | -27.2 | -179.2 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | A2 K3 R103 Q105 V116 | A2-T118 CarbonylContact C-O 3.57Å; A2-T118 VanDerWaalsContact CA-O 3.29Å; A2-T118 WeakPolarHBondContact CA-O 3.41Å; A2-T118 WeakPolarHBondContact CB-O 3.26Å; K3-T118 PolarHBondContact N-O 2.63Å; R103-T118 WeakPolarHBondContact O-CB 3.32Å; R103-T118 PolarHBondContact O-N 3.04Å; R103-T118 PolarHBondContact O-OG1 3.46Å; Q105-T118 HydrophobicContact CB-CG2 3.4Å; V116-T118 PolarHBondContact O-N 3.28Å |
| 119 | S | 75.6 | Confident | 78.7 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | trans | -120.1 | 168.9 | 170.1 | 52.2 | 0 | 0 | 0 | 0 | 109.9 | V102 P288 | V102-S119 WeakPolarHBondContact CG1-O 3.45Å; V102-S119 WeakPolarHBondContact CG1-OG 3.34Å; S119-P288 WeakPolarHBondContact OG-CG 3.36Å | ||
| 120 | L | 85.9 | Confident | 79.4 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | trans | -138.9 | 80.5 | -177.4 | -58.5 | 172.6 | 0 | 0 | 0 | 109 | A2 P117 W122 F123 E124 E640 | A2-L120 HydrophobicContact CB-CB 4.42Å; A2-L120 HydrophobicContact CB-CD1 3.73Å; A2-L120 HydrophobicContact CB-CG 3.64Å; P117-L120 HydrophobicContact CB-CD2 4.11Å; L120-W122 VanDerWaalsContact C-N 3.29Å; L120-W122 HydrophobicContact CB-CH2 4.19Å; L120-W122 HydrophobicContact CB-CZ2 3.71Å; L120-W122 HydrophobicContact CD2-CH2 3.6Å; L120-W122 HydrophobicContact CD2-CZ2 3.35Å; L120-W122 HydrophobicContact CG-CH2 4.47Å; L120-W122 HydrophobicContact CG-CZ2 4.01Å; L120-W122 PolarHBondContact O-N 3.06Å; L120-W122 VanDerWaalsContact O-N 3.14Å; L120-F123 HydrophobicContact CB-CB 4.28Å; L120-F123 WeakPolarHBondContact O-CB 3.19Å; L120-F123 PolarHBondContact O-N 3.13Å; L120-E124 PolarHBondContact O-N 3.45Å; L120-E640 HydrophobicContact CD1-CG 3.82Å | ||
| 121 | P | 79.1 | Confident | 80.5 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.1 | -36.4 | -165.6 | -28.1 | 34.8 | 0 | 0 | 0 | 114.8 | C96 V102 F123 E124 A125 L287 | C96-P121 HydrophobicContact CB-CB 4.49Å; V102-P121 HydrophobicContact CG2-CG 3.82Å; P121-F123 VanDerWaalsContact C-N 3.32Å; P121-F123 PolarHBondContact O-N 3.25Å; P121-E124 PolarHBondContact O-N 3.47Å; P121-A125 WeakPolarHBondContact O-CB 3.23Å; P121-A125 PolarHBondContact O-N 2.8Å; P121-L287 HydrophobicContact CB-CD2 3.58Å |
| 122 | W | 85 | Confident | 81 | Confident | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.011 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64 | -30.9 | 175.9 | 56.1 | 91.3 | 0 | 0 | 0 | 113.9 | V93 C96 L120 W126 E640 L676 R679 | V93-W122 HydrophobicContact CG1-CB 4.31Å; V93-W122 WeakPolarHBondContact O-CB 3.4Å; C96-W122 HydrophobicContact CB-CB 3.82Å; L120-W122 VanDerWaalsContact C-N 3.29Å; L120-W122 HydrophobicContact CB-CH2 4.19Å; L120-W122 HydrophobicContact CB-CZ2 3.71Å; L120-W122 HydrophobicContact CD2-CH2 3.6Å; L120-W122 HydrophobicContact CD2-CZ2 3.35Å; L120-W122 HydrophobicContact CG-CH2 4.47Å; L120-W122 HydrophobicContact CG-CZ2 4.01Å; L120-W122 PolarHBondContact O-N 3.06Å; L120-W122 VanDerWaalsContact O-N 3.14Å; W122-W126 VanDerWaalsContact O-CB 3.23Å; W122-W126 WeakPolarHBondContact O-CB 3.35Å; W122-W126 PolarHBondContact O-N 3.01Å; W122-E640 PolarHBondContact NE1-OE2 3.38Å; W122-L676 HydrophobicContact CD2-CD2 3.76Å; W122-L676 HydrophobicContact CE3-CD2 4.45Å; W122-L676 HydrophobicContact CG-CD2 3.84Å; W122-L676 HydrophobicContact CZ2-CD2 4.3Å; W122-R679 VanDerWaalsContact CH2-CZ 3.43Å |
| 123 | F | 88.5 | Confident | 81.5 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74.3 | -40.4 | 174.5 | 175.1 | -93.5 | 0 | 0 | 0 | 111.3 | L120 P121 W126 R127 L604 L637 L638 Q641 | L120-F123 HydrophobicContact CB-CB 4.28Å; L120-F123 WeakPolarHBondContact O-CB 3.19Å; L120-F123 PolarHBondContact O-N 3.13Å; P121-F123 VanDerWaalsContact C-N 3.32Å; P121-F123 PolarHBondContact O-N 3.25Å; F123-W126 AromaticContact CD2-CE3 4Å; F123-W126 HydrophobicContact CD2-CE3 4Å; F123-W126 HydrophobicContact CD2-CZ3 4.27Å; F123-W126 AromaticContact CE2-CE3 3.87Å; F123-W126 HydrophobicContact CE2-CE3 3.87Å; F123-W126 AromaticContact CE2-CZ3 3.69Å; F123-W126 HydrophobicContact CE2-CZ3 3.69Å; F123-W126 HydrophobicContact CZ-CZ3 4.25Å; F123-W126 PolarHBondContact O-N 2.96Å; F123-R127 WeakPolarHBondContact O-CB 3.47Å; F123-R127 PolarHBondContact O-N 3.01Å; F123-L604 HydrophobicContact CZ-CD2 4.06Å; F123-L637 HydrophobicContact CB-CD2 4.42Å; F123-L637 HydrophobicContact CD2-CB 4.18Å; F123-L637 HydrophobicContact CD2-CD2 4.39Å; F123-L638 HydrophobicContact CE2-CD2 4.43Å; F123-Q641 HydrophobicContact CD1-CG 4.16Å; F123-Q641 HydrophobicContact CD2-CG 3.76Å; F123-Q641 HydrophobicContact CE1-CG 3.99Å; F123-Q641 HydrophobicContact CE2-CG 3.58Å; F123-Q641 HydrophobicContact CG-CG 4.05Å; F123-Q641 HydrophobicContact CZ-CG 3.71Å |
| 124 | E | 82.6 | Confident | 81.7 | Confident | 9 Ų | 9 | 19.8 Ų | 19.8 | 4% | 0.042 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.9 | -42.1 | 177.2 | -69 | 172.9 | 130.6 | 0 | 0 | 110.6 | C4 S5 L120 P121 R127 Y128 P288 | C4-E124 WeakPolarHBondContact CA-OE1 3.43Å; S5-E124 PolarHBondContact N-OE1 2.94Å; S5-E124 PolarHBondContact OG-OE1 3.12Å; L120-E124 PolarHBondContact O-N 3.45Å; P121-E124 PolarHBondContact O-N 3.47Å; E124-R127 PolarHBondContact O-N 3.37Å; E124-Y128 WeakPolarHBondContact O-CB 3.43Å; E124-Y128 PolarHBondContact O-N 3.27Å; E124-P288 WeakPolarHBondContact OE2-CD 3.46Å; E124-P288 WeakPolarHBondContact OE2-CG 3.43Å |
| 125 | A | 76.2 | Confident | 81.3 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -50.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P121 R127 Y128 L129 L283 L287 | P121-A125 WeakPolarHBondContact O-CB 3.23Å; P121-A125 PolarHBondContact O-N 2.8Å; A125-R127 VanDerWaalsContact C-N 3.34Å; A125-R127 PolarHBondContact O-N 3.23Å; A125-Y128 PolarHBondContact O-N 3.26Å; A125-L129 WeakPolarHBondContact O-CG 3.25Å; A125-L129 PolarHBondContact O-N 3.08Å; A125-L283 HydrophobicContact CB-CD1 3.84Å; A125-L287 HydrophobicContact CB-CD2 4.4Å |
| 126 | W | 88 | Confident | 81 | Confident | 8 Ų | 8 | 19.3 Ų | 19.3 | 3% | 0.03 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.1 | -48 | 176 | 167.9 | 85.4 | 0 | 0 | 0 | 111.8 | V89 V93 W122 F123 Y128 L129 F130 L600 L604 I634 L637 L638 | V89-W126 VanDerWaalsContact CG1-CD1 3.44Å; V89-W126 HydrophobicContact CG1-CG 4.47Å; V93-W126 HydrophobicContact CG2-CB 3.75Å; V93-W126 HydrophobicContact CG2-CG 4.42Å; W122-W126 VanDerWaalsContact O-CB 3.23Å; W122-W126 WeakPolarHBondContact O-CB 3.35Å; W122-W126 PolarHBondContact O-N 3.01Å; F123-W126 AromaticContact CD2-CE3 4Å; F123-W126 HydrophobicContact CD2-CE3 4Å; F123-W126 HydrophobicContact CD2-CZ3 4.27Å; F123-W126 AromaticContact CE2-CE3 3.87Å; F123-W126 HydrophobicContact CE2-CE3 3.87Å; F123-W126 AromaticContact CE2-CZ3 3.69Å; F123-W126 HydrophobicContact CE2-CZ3 3.69Å; F123-W126 HydrophobicContact CZ-CZ3 4.25Å; F123-W126 PolarHBondContact O-N 2.96Å; W126-Y128 PolarHBondContact O-N 2.84Å; W126-L129 PolarHBondContact O-N 2.97Å; W126-F130 WeakPolarHBondContact O-CB 3.33Å; W126-F130 PolarHBondContact O-N 2.86Å; W126-L600 HydrophobicContact CH2-CD1 4.28Å; W126-L600 HydrophobicContact CH2-CD2 4.24Å; W126-L600 HydrophobicContact CZ2-CD2 4.12Å; W126-L604 HydrophobicContact CH2-CD1 3.95Å; W126-L604 HydrophobicContact CH2-CD2 4.32Å; W126-L604 HydrophobicContact CZ3-CD1 4.03Å; W126-L604 HydrophobicContact CZ3-CD2 3.97Å; W126-I634 HydrophobicContact CH2-CG2 4.22Å; W126-I634 HydrophobicContact CZ2-CB 4.4Å; W126-I634 HydrophobicContact CZ2-CD1 4.34Å; W126-I634 HydrophobicContact CZ2-CG1 4Å; W126-I634 HydrophobicContact CZ2-CG2 3.84Å; W126-L637 HydrophobicContact CB-CD1 4.07Å; W126-L637 VanDerWaalsContact CD1-CD1 3.46Å; W126-L637 HydrophobicContact CD2-CD1 3.63Å; W126-L637 HydrophobicContact CE3-CD1 4.3Å; W126-L637 HydrophobicContact CG-CD1 3.45Å; W126-L637 VanDerWaalsContact CG-CD1 3.45Å; W126-L638 HydrophobicContact CH2-CD2 4.31Å |
| 127 | R | 87.9 | Confident | 80.8 | Confident | 8 Ų | 8 | 21.9 Ų | 21.9 | 3% | 0.03 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | -178 | 179.1 | 175.2 | 62.7 | 164 | -9.5 | 111.6 | C4 F11 F123 E124 A125 I131 L604 E608 | C4-R127 PolarHBondContact SG-NH2 3.12Å; F11-R127 HydrophobicContact CE2-CG 4.06Å; F11-R127 HydrophobicContact CZ-CG 3.93Å; F123-R127 WeakPolarHBondContact O-CB 3.47Å; F123-R127 PolarHBondContact O-N 3.01Å; E124-R127 PolarHBondContact O-N 3.37Å; A125-R127 VanDerWaalsContact C-N 3.34Å; A125-R127 PolarHBondContact O-N 3.23Å; R127-I131 HydrophobicContact CG-CG1 4.47Å; R127-I131 WeakPolarHBondContact O-CB 3.35Å; R127-I131 VanDerWaalsContact O-CG1 3.27Å; R127-I131 WeakPolarHBondContact O-CG1 3.34Å; R127-I131 PolarHBondContact O-N 2.86Å; R127-L604 HydrophobicContact CG-CD1 4.44Å; R127-E608 IonicContact CZ-OE1 3.83Å; R127-E608 VanDerWaalsContact NH1-CG 3.33Å; R127-E608 IonicContact NH1-OE1 3.03Å; R127-E608 PolarHBondContact NH1-OE1 3.01Å; R127-E608 IonicContact NH2-OE1 2.69Å |
| 128 | Y | 80.9 | Confident | 80.8 | Confident | 20 Ų | 20 | 26.9 Ų | 26.9 | 8% | 0.078 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -54.8 | 173.7 | 171.9 | -108.7 | 0 | 0 | 0 | 111.3 | F14 E124 A125 W126 F130 I131 T132 D280 W282 L283 L286 | F14-Y128 HydrophobicContact CE1-CD2 4.05Å; F14-Y128 HydrophobicContact CE1-CE2 4.48Å; F14-Y128 HydrophobicContact CE2-CD2 4.45Å; F14-Y128 HydrophobicContact CE2-CE2 4.11Å; F14-Y128 AromaticContact CZ-CD2 3.56Å; F14-Y128 HydrophobicContact CZ-CD2 3.56Å; F14-Y128 AromaticContact CZ-CE2 3.56Å; F14-Y128 HydrophobicContact CZ-CE2 3.56Å; E124-Y128 WeakPolarHBondContact O-CB 3.43Å; E124-Y128 PolarHBondContact O-N 3.27Å; A125-Y128 PolarHBondContact O-N 3.26Å; W126-Y128 PolarHBondContact O-N 2.84Å; Y128-F130 VanDerWaalsContact C-N 3.26Å; Y128-F130 PolarHBondContact O-N 3.32Å; Y128-I131 PolarHBondContact O-N 2.77Å; Y128-I131 VanDerWaalsContact O-N 3.11Å; Y128-T132 HydrophobicContact CD2-CG2 3.84Å; Y128-T132 HydrophobicContact CE1-CG2 4.39Å; Y128-T132 HydrophobicContact CE2-CG2 3.5Å; Y128-T132 VanDerWaalsContact CE2-CG2 3.5Å; Y128-T132 HydrophobicContact CG-CG2 4.46Å; Y128-T132 PolarHBondContact O-N 2.7Å; Y128-T132 PolarHBondContact O-OG1 2.77Å; Y128-T132 VanDerWaalsContact O-OG1 3.07Å; Y128-D280 WeakPolarHBondContact CE1-OD2 3.33Å; Y128-D280 VanDerWaalsContact CZ-OD2 3.27Å; Y128-D280 PolarHBondContact OH-OD2 2.77Å; Y128-W282 HydrophobicContact CE2-CB 4.34Å; Y128-W282 HydrophobicContact CE2-CE3 4.01Å; Y128-W282 WeakPolarHBondContact OH-CB 3.41Å; Y128-L283 HydrophobicContact CD1-CD1 3.67Å; Y128-L283 HydrophobicContact CE1-CD1 4.23Å; Y128-L286 HydrophobicContact CD1-CD1 4.33Å; Y128-L286 HydrophobicContact CD2-CD1 3.12Å; Y128-L286 HydrophobicContact CE2-CD1 3.7Å; Y128-L286 HydrophobicContact CG-CD1 3.48Å; Y128-L286 VanDerWaalsContact CG-CD1 3.48Å |
| 129 | L | 79.8 | Confident | 81.4 | Confident | 24 Ų | 24 | 25.9 Ų | 25.9 | 13% | 0.126 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -35.4 | 179.8 | -68.4 | 172.4 | 0 | 0 | 0 | 112.4 | V89 F92 A125 W126 T132 N133 | V89-L129 HydrophobicContact CG2-CB 3.79Å; V89-L129 HydrophobicContact CG2-CD1 4.04Å; F92-L129 HydrophobicContact CB-CD1 3.77Å; F92-L129 HydrophobicContact CD2-CD1 3.9Å; F92-L129 HydrophobicContact CG-CD1 3.93Å; A125-L129 WeakPolarHBondContact O-CG 3.25Å; A125-L129 PolarHBondContact O-N 3.08Å; W126-L129 PolarHBondContact O-N 2.97Å; L129-T132 PolarHBondContact O-OG1 2.76Å; L129-N133 WeakPolarHBondContact O-CB 3.38Å; L129-N133 PolarHBondContact O-N 2.8Å; L129-N133 PolarHBondContact O-ND2 2.83Å |
| 130 | F | 85.9 | Confident | 82.1 | Confident | 32 Ų | 32 | 25.7 Ų | 25.7 | 14% | 0.14 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.3 | -55.3 | 171.2 | 172.1 | -106.3 | 0 | 0 | 0 | 111.1 | W126 Y128 T132 N133 L134 L600 R601 L604 | W126-F130 WeakPolarHBondContact O-CB 3.33Å; W126-F130 PolarHBondContact O-N 2.86Å; Y128-F130 VanDerWaalsContact C-N 3.26Å; Y128-F130 PolarHBondContact O-N 3.32Å; F130-T132 PolarHBondContact O-N 3.24Å; F130-N133 PolarHBondContact O-N 2.91Å; F130-L134 HydrophobicContact CD1-CD1 4.47Å; F130-L134 HydrophobicContact CE1-CD1 3.9Å; F130-L134 HydrophobicContact CE1-CD2 4.39Å; F130-L134 HydrophobicContact CE1-CG 4.29Å; F130-L134 HydrophobicContact CE2-CD2 3.94Å; F130-L134 HydrophobicContact CE2-CG 4.39Å; F130-L134 HydrophobicContact CZ-CD1 4.1Å; F130-L134 HydrophobicContact CZ-CD2 3.77Å; F130-L134 HydrophobicContact CZ-CG 4.14Å; F130-L134 WeakPolarHBondContact O-CG 3.27Å; F130-L134 PolarHBondContact O-N 3.44Å; F130-L134 VanDerWaalsContact O-N 3.1Å; F130-L600 HydrophobicContact CD2-CD2 4.32Å; F130-L600 HydrophobicContact CE1-CB 4.47Å; F130-L600 HydrophobicContact CE1-CD2 4.23Å; F130-L600 HydrophobicContact CE1-CG 4.01Å; F130-L600 HydrophobicContact CE2-CD2 3.77Å; F130-L600 HydrophobicContact CE2-CG 4.35Å; F130-L600 HydrophobicContact CZ-CB 3.94Å; F130-L600 HydrophobicContact CZ-CD2 3.71Å; F130-L600 HydrophobicContact CZ-CG 3.77Å; F130-R601 HydrophobicContact CE1-CB 4.45Å; F130-L604 HydrophobicContact CD1-CD1 3.73Å; F130-L604 HydrophobicContact CE1-CD1 3.75Å |
| 131 | I | 85.3 | Confident | 82.3 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.062 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | -178.4 | -71.1 | -61.2 | 0 | 0 | 0 | 112.5 | F11 F14 V15 R127 Y128 N133 L134 R601 | F11-I131 HydrophobicContact CZ-CG1 4.18Å; F14-I131 HydrophobicContact CE1-CG2 3.9Å; V15-I131 HydrophobicContact CB-CG2 4.43Å; V15-I131 HydrophobicContact CG1-CD1 4.46Å; V15-I131 HydrophobicContact CG1-CG2 4.38Å; V15-I131 HydrophobicContact CG2-CD1 4.11Å; V15-I131 HydrophobicContact CG2-CG1 4.25Å; V15-I131 HydrophobicContact CG2-CG2 3.84Å; R127-I131 HydrophobicContact CG-CG1 4.47Å; R127-I131 WeakPolarHBondContact O-CB 3.35Å; R127-I131 VanDerWaalsContact O-CG1 3.27Å; R127-I131 WeakPolarHBondContact O-CG1 3.34Å; R127-I131 PolarHBondContact O-N 2.86Å; Y128-I131 PolarHBondContact O-N 2.77Å; Y128-I131 VanDerWaalsContact O-N 3.11Å; I131-N133 VanDerWaalsContact C-N 3.34Å; I131-L134 HydrophobicContact CD1-CD1 3.88Å; I131-L134 PolarHBondContact O-N 2.85Å; I131-R601 HydrophobicContact CD1-CG 4.32Å |
| 132 | T | 78.5 | Confident | 82.8 | Confident | 50 Ų | 50 | 26.7 Ų | 26.7 | 31% | 0.307 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -76 | -20.3 | -179.1 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | F14 Y128 L129 F130 | F14-T132 HydrophobicContact CZ-CG2 4.13Å; Y128-T132 HydrophobicContact CD2-CG2 3.84Å; Y128-T132 HydrophobicContact CE1-CG2 4.39Å; Y128-T132 HydrophobicContact CE2-CG2 3.5Å; Y128-T132 VanDerWaalsContact CE2-CG2 3.5Å; Y128-T132 HydrophobicContact CG-CG2 4.46Å; Y128-T132 PolarHBondContact O-N 2.7Å; Y128-T132 PolarHBondContact O-OG1 2.77Å; Y128-T132 VanDerWaalsContact O-OG1 3.07Å; L129-T132 PolarHBondContact O-OG1 2.76Å; F130-T132 PolarHBondContact O-N 3.24Å |
| 133 | N | 78.3 | Confident | 82.9 | Confident | 52 Ų | 52 | 28 Ų | 28 | 28% | 0.278 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 3.9 | 174.4 | -70.1 | -93.2 | 0 | 0 | 0 | 113.4 | S80 T85 L129 F130 I131 Q135 | S80-N133 PolarHBondContact OG-OD1 2.98Å; T85-N133 HydrophobicContact CG2-CB 3.73Å; T85-N133 VanDerWaalsContact CG2-CG 3.4Å; T85-N133 WeakPolarHBondContact CG2-OD1 3.47Å; L129-N133 WeakPolarHBondContact O-CB 3.38Å; L129-N133 PolarHBondContact O-N 2.8Å; L129-N133 PolarHBondContact O-ND2 2.83Å; F130-N133 PolarHBondContact O-N 2.91Å; I131-N133 VanDerWaalsContact C-N 3.34Å; N133-Q135 PolarHBondContact O-N 3.2Å |
| 134 | L | 80.1 | Confident | 82.9 | Confident | 37 Ų | 37 | 28.4 Ų | 28.4 | 19% | 0.194 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 126.3 | 167.8 | -79.9 | 175.7 | 0 | 0 | 0 | 109.7 | F130 I131 E597 R601 | F130-L134 HydrophobicContact CD1-CD1 4.47Å; F130-L134 HydrophobicContact CE1-CD1 3.9Å; F130-L134 HydrophobicContact CE1-CD2 4.39Å; F130-L134 HydrophobicContact CE1-CG 4.29Å; F130-L134 HydrophobicContact CE2-CD2 3.94Å; F130-L134 HydrophobicContact CE2-CG 4.39Å; F130-L134 HydrophobicContact CZ-CD1 4.1Å; F130-L134 HydrophobicContact CZ-CD2 3.77Å; F130-L134 HydrophobicContact CZ-CG 4.14Å; F130-L134 WeakPolarHBondContact O-CG 3.27Å; F130-L134 PolarHBondContact O-N 3.44Å; F130-L134 VanDerWaalsContact O-N 3.1Å; I131-L134 HydrophobicContact CD1-CD1 3.88Å; I131-L134 PolarHBondContact O-N 2.85Å; L134-E597 HydrophobicContact CD2-CB 3.96Å; L134-R601 HydrophobicContact CD1-CB 3.89Å; L134-R601 HydrophobicContact CD1-CG 3.86Å |
| 135 | Q | 73 | Confident | 83.3 | Confident | 54 Ų | 54 | 28.6 Ų | 28.6 | 25% | 0.252 | 14% | 0.144 | S | C | . | . | P | Polyproline II helix | trans | -83.1 | 143.8 | 178.5 | -60.7 | 176.7 | -9.7 | 0 | 0 | 108.9 | L79 N133 F137 R181 | L79-Q135 HydrophobicContact CD1-CG 4.19Å; N133-Q135 PolarHBondContact O-N 3.2Å; Q135-F137 WeakPolarHBondContact O-CD2 3.32Å; Q135-F137 WeakPolarHBondContact O-CE2 3.32Å; Q135-R181 VanDerWaalsContact OE1-CZ 3.24Å |
| 136 | P | 75.9 | Confident | 84.2 | Confident | 32 Ų | 32 | 28.5 Ų | 28.5 | 21% | 0.208 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 144.2 | 171.7 | -22.3 | 33.1 | 0 | 0 | 0 | 111.2 | S143 F183 | P136-S143 WeakPolarHBondContact CB-OG 3.07Å; P136-F183 HydrophobicContact CB-CD2 3.59Å; P136-F183 HydrophobicContact CB-CE2 4Å; P136-F183 HydrophobicContact CB-CG 4.31Å; P136-F183 HydrophobicContact CG-CD2 3.92Å; P136-F183 WeakPolarHBondContact O-CE2 3.33Å |
| 137 | F | 80.3 | Confident | 84.5 | Confident | 55 Ų | 55 | 28.1 Ų | 28.1 | 24% | 0.241 | 14% | 0.142 | C | C | . | . | trans | -112.4 | 152.7 | 178.4 | -68.1 | -96.7 | 0 | 0 | 0 | 111.3 | Q135 H139 E140 L598 | Q135-F137 WeakPolarHBondContact O-CD2 3.32Å; Q135-F137 WeakPolarHBondContact O-CE2 3.32Å; F137-H139 WeakPolarHBondContact CB-ND1 2.99Å; F137-H139 PolarHBondContact O-N 2.86Å; F137-H139 VanDerWaalsContact O-N 3.13Å; F137-E140 HydrophobicContact CB-CG 4.31Å; F137-E140 WeakPolarHBondContact O-CG 3.43Å; F137-E140 PolarHBondContact O-N 3.4Å; F137-L598 HydrophobicContact CD1-CD1 3.83Å; F137-L598 HydrophobicContact CD1-CG 4.37Å; F137-L598 HydrophobicContact CD2-CD1 4.23Å; F137-L598 HydrophobicContact CD2-CD2 3.61Å; F137-L598 HydrophobicContact CD2-CG 4.09Å; F137-L598 HydrophobicContact CE1-CD1 3.9Å; F137-L598 HydrophobicContact CE1-CG 4.11Å; F137-L598 HydrophobicContact CE2-CD1 4.3Å; F137-L598 HydrophobicContact CE2-CD2 3.61Å; F137-L598 HydrophobicContact CE2-CG 3.81Å; F137-L598 HydrophobicContact CG-CD1 4Å; F137-L598 HydrophobicContact CG-CD2 4.17Å; F137-L598 HydrophobicContact CG-CG 4.36Å; F137-L598 HydrophobicContact CZ-CD1 4.14Å; F137-L598 HydrophobicContact CZ-CD2 4.16Å; F137-L598 HydrophobicContact CZ-CG 3.82Å | ||
| 138 | E | 76.9 | Confident | 84.8 | Confident | 135 Ų | 135 | 27.8 Ų | 27.8 | 63% | 0.631 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.5 | -171.1 | -58.5 | -179.5 | 165.2 | 0 | 0 | 114.5 | ||
| 139 | H | 86.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1.6 | -178.1 | 73.1 | -69.4 | 0 | 0 | 0 | 114.5 | F137 L553 H554 Y589 | F137-H139 WeakPolarHBondContact CB-ND1 2.99Å; F137-H139 PolarHBondContact O-N 2.86Å; F137-H139 VanDerWaalsContact O-N 3.13Å; H139-L553 HydrophobicContact CB-CD2 3.99Å; H139-L553 HydrophobicContact CB-CG 3.88Å; H139-L553 PolarHBondContact CD2-O 3.33Å; H139-L553 VanDerWaalsContact CD2-O 3.29Å; H139-H554 WeakPolarHBondContact CB-ND1 3.46Å; H139-Y589 AromaticContact NE2-CE1 3.86Å; H139-Y589 AromaticContact NE2-CZ 3.9Å; H139-Y589 PolarHBondContact NE2-OH 2.91Å |
| 140 | E | 89 | Confident | 86.4 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | trans | -140.3 | 140.8 | -175 | 61.4 | 176.5 | -174.5 | 0 | 0 | 112.9 | F137 N142 H144 R601 | F137-E140 HydrophobicContact CB-CG 4.31Å; F137-E140 WeakPolarHBondContact O-CG 3.43Å; F137-E140 PolarHBondContact O-N 3.4Å; E140-N142 VanDerWaalsContact CD-OD1 3.26Å; E140-N142 PolarHBondContact OE2-ND2 3.09Å; E140-N142 PolarHBondContact OE2-OD1 3Å; E140-H144 PolarHBondContact O-CE1 2.88Å; E140-H144 PolarHBondContact O-ND1 2.99Å; E140-H144 VanDerWaalsContact O-ND1 3.17Å; E140-R601 VanDerWaalsContact CD-NH1 3.25Å; E140-R601 IonicContact OE1-CZ 3.62Å; E140-R601 IonicContact OE1-NH1 3.32Å; E140-R601 PolarHBondContact OE1-NH1 3.5Å; E140-R601 IonicContact OE1-NH2 2.75Å; E140-R601 IonicContact OE2-CZ 2.67Å; E140-R601 VanDerWaalsContact OE2-CZ 3.27Å; E140-R601 IonicContact OE2-NH1 2.79Å; E140-R601 PolarHBondContact OE2-NH1 3.22Å; E140-R601 IonicContact OE2-NH2 3.49Å; E140-R601 PolarHBondContact OE2-NH2 3.07Å | ||
| 141 | F | 91.7 | Very high | 86.8 | Confident | 22 Ų | 22 | 24.1 Ų | 24.1 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | trans | -111.2 | 2.6 | -178.9 | -54.6 | -89.1 | 0 | 0 | 0 | 112.8 | S143 H144 F185 R520 R521 D524 | F141-S143 PolarHBondContact O-N 2.96Å; F141-H144 AromaticContact CD1-CD2 3.64Å; F141-H144 AromaticContact CD1-NE2 3.66Å; F141-H144 AromaticContact CE1-NE2 3.96Å; F141-H144 PolarHBondContact O-N 3.3Å; F141-F185 HydrophobicContact CB-CD2 3.77Å; F141-F185 HydrophobicContact CB-CE2 3.65Å; F141-R520 HydrophobicContact CD2-CB 4.46Å; F141-R520 HydrophobicContact CD2-CG 3.81Å; F141-R520 HydrophobicContact CE2-CB 4.19Å; F141-R520 HydrophobicContact CE2-CG 3.75Å; F141-R521 HydrophobicContact CB-CG 4.25Å; F141-R521 HydrophobicContact CD1-CG 3.67Å; F141-R521 HydrophobicContact CD2-CB 4.35Å; F141-R521 HydrophobicContact CD2-CG 3.39Å; F141-R521 HydrophobicContact CE1-CG 3.78Å; F141-R521 HydrophobicContact CE2-CG 3.53Å; F141-R521 HydrophobicContact CG-CB 4.48Å; F141-R521 HydrophobicContact CG-CG 3.47Å; F141-R521 VanDerWaalsContact CG-CG 3.47Å; F141-R521 HydrophobicContact CZ-CG 3.72Å; F141-D524 HydrophobicContact CB-CB 4.09Å; F141-D524 PolarHBondContact N-OD2 3.4Å | ||
| 142 | N | 89.7 | Confident | 87.3 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.6 | 177.9 | 58.3 | 17.1 | 0 | 0 | 0 | 114.6 | F16 E140 M561 | F16-N142 HydrophobicContact CD1-CB 3.93Å; F16-N142 HydrophobicContact CE1-CB 4.46Å; F16-N142 VanDerWaalsContact CE1-ND2 3.31Å; F16-N142 WeakPolarHBondContact CE1-ND2 3.36Å; E140-N142 VanDerWaalsContact CD-OD1 3.26Å; E140-N142 PolarHBondContact OE2-ND2 3.09Å; E140-N142 PolarHBondContact OE2-OD1 3Å; N142-M561 HydrophobicContact CB-CE 4.49Å |
| 143 | S | 86.3 | Confident | 88 | Confident | 29 Ų | 29 | 21.3 Ų | 21.3 | 20% | 0.203 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 3.6 | -175.5 | 49 | 0 | 0 | 0 | 0 | 112.9 | C19 P136 F141 | C19-S143 PolarHBondContact SG-O 2.99Å; P136-S143 WeakPolarHBondContact CB-OG 3.07Å; F141-S143 PolarHBondContact O-N 2.96Å |
| 144 | H | 89.3 | Confident | 88.7 | Confident | 11 Ų | 11 | 19.2 Ų | 19.2 | 5% | 0.051 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -78.2 | 149.2 | 175.4 | -74.5 | 40.2 | 0 | 0 | 0 | 111.2 | E140 F141 L146 F185 | E140-H144 PolarHBondContact O-CE1 2.88Å; E140-H144 PolarHBondContact O-ND1 2.99Å; E140-H144 VanDerWaalsContact O-ND1 3.17Å; F141-H144 AromaticContact CD1-CD2 3.64Å; F141-H144 AromaticContact CD1-NE2 3.66Å; F141-H144 AromaticContact CE1-NE2 3.96Å; F141-H144 PolarHBondContact O-N 3.3Å; H144-L146 PolarHBondContact O-N 3.29Å; H144-F185 HydrophobicContact CB-CB 4.15Å; H144-F185 HydrophobicContact CB-CD2 4.48Å |
| 145 | N | 91 | Very high | 89 | Confident | 13 Ų | 13 | 21.2 Ų | 21.2 | 7% | 0.07 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 123.3 | 178.6 | -66.4 | -76.9 | 0 | 0 | 0 | 111 | C19 G21 F183 W184 F185 | C19-N145 WeakPolarHBondContact O-CA 3.29Å; G21-N145 PolarHBondContact N-OD1 3.34Å; N145-F183 PolarHBondContact N-O 3.4Å; N145-F183 PolarHBondContact ND2-O 2.98Å; N145-W184 HydrophobicContact CB-CE3 3.65Å; N145-W184 HydrophobicContact CB-CZ3 3.88Å; N145-F185 WeakPolarHBondContact O-CB 3.38Å; N145-F185 PolarHBondContact O-N 2.85Å |
| 146 | L | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -27.3 | 176.3 | -53 | -167.9 | 0 | 0 | 0 | 111.9 | P18 C19 H144 F185 L190 L394 W397 L525 L528 F529 | P18-L146 HydrophobicContact CB-CD1 3.88Å; P18-L146 HydrophobicContact CG-CD1 4.42Å; C19-L146 PolarHBondContact O-N 2.73Å; H144-L146 PolarHBondContact O-N 3.29Å; L146-F185 HydrophobicContact CD2-CB 3.65Å; L146-F185 HydrophobicContact CD2-CD1 4.18Å; L146-F185 HydrophobicContact CD2-CD2 3.56Å; L146-F185 HydrophobicContact CD2-CE2 4.31Å; L146-F185 HydrophobicContact CD2-CG 3.51Å; L146-L190 PolarHBondContact O-N 2.97Å; L146-L394 HydrophobicContact CB-CD1 4.24Å; L146-W397 HydrophobicContact CB-CH2 4.41Å; L146-W397 HydrophobicContact CB-CZ3 3.97Å; L146-W397 WeakPolarHBondContact O-CH2 3.37Å; L146-L525 HydrophobicContact CD1-CD1 3.98Å; L146-L525 HydrophobicContact CD2-CD1 4.32Å; L146-L528 HydrophobicContact CD1-CD1 4.48Å; L146-F529 HydrophobicContact CD1-CE2 3.73Å; L146-F529 HydrophobicContact CD1-CZ 4.13Å |
| 147 | A | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 158.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V20 G21 L190 F389 L394 | V20-A147 HydrophobicContact CG1-CB 4.17Å; V20-A147 HydrophobicContact CG2-CB 4.41Å; G21-A147 PolarHBondContact N-O 2.79Å; A147-L190 CarbonylContact C-O 3.58Å; A147-L190 VanDerWaalsContact CA-O 3.23Å; A147-L190 WeakPolarHBondContact CA-O 3.28Å; A147-L190 HydrophobicContact CB-CB 3.77Å; A147-L190 HydrophobicContact CB-CD2 4.05Å; A147-L190 HydrophobicContact CB-CG 4.09Å; A147-F389 HydrophobicContact CB-CE2 4.37Å; A147-F389 HydrophobicContact CB-CZ 3.92Å; A147-L394 HydrophobicContact CB-CD1 4.41Å |
| 148 | C | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.9 | 166.2 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | G21 F150 Q170 W184 L190 F192 | G21-C148 CarbonylContact O-C 3.6Å; G21-C148 WeakPolarHBondContact O-CA 3.23Å; C148-F150 HydrophobicContact CB-CE2 4.09Å; C148-F150 HydrophobicContact CB-CZ 3.93Å; C148-F150 VanDerWaalsContact SG-CE1 3.6Å; C148-F150 VanDerWaalsContact SG-CZ 3.58Å; C148-Q170 HydrophobicContact CB-CG 4.19Å; C148-W184 HydrophobicContact CB-CH2 3.85Å; C148-W184 HydrophobicContact CB-CZ3 3.85Å; C148-L190 PolarHBondContact N-O 3.18Å; C148-F192 PolarHBondContact O-N 3.42Å |
| 149 | I | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.8 | 171 | -55.8 | 178.7 | 0 | 0 | 0 | 108.3 | V20 G21 L22 L23 F72 V151 F192 V194 F385 F389 | V20-I149 HydrophobicContact CG1-CD1 3.67Å; V20-I149 HydrophobicContact CG1-CG1 3.69Å; G21-I149 PolarHBondContact O-N 2.91Å; L22-I149 WeakPolarHBondContact CA-O 3.21Å; L22-I149 HydrophobicContact CD2-CB 3.89Å; L22-I149 HydrophobicContact CD2-CD1 4.16Å; L22-I149 HydrophobicContact CD2-CG1 4.38Å; L23-I149 PolarHBondContact N-O 3.02Å; F72-I149 HydrophobicContact CD1-CD1 4.3Å; F72-I149 HydrophobicContact CE1-CD1 3.85Å; I149-V151 HydrophobicContact CG2-CG2 4.1Å; I149-F192 CarbonylContact C-O 3.41Å; I149-F192 WeakPolarHBondContact CA-O 3.37Å; I149-F192 HydrophobicContact CG1-CB 4.42Å; I149-V194 HydrophobicContact CG2-CB 4.37Å; I149-V194 HydrophobicContact CG2-CG2 3.55Å; I149-F385 HydrophobicContact CD1-CZ 4.2Å; I149-F385 HydrophobicContact CG2-CZ 4.47Å; I149-F389 HydrophobicContact CD1-CD1 4.33Å; I149-F389 HydrophobicContact CD1-CD2 4.06Å; I149-F389 HydrophobicContact CD1-CE1 4.2Å; I149-F389 HydrophobicContact CD1-CE2 3.9Å; I149-F389 HydrophobicContact CD1-CG 4.27Å; I149-F389 HydrophobicContact CD1-CZ 3.98Å; I149-F389 HydrophobicContact CG1-CD2 4.33Å; I149-F389 HydrophobicContact CG1-CE2 3.89Å; I149-F389 HydrophobicContact CG1-CZ 4.19Å |
| 150 | F | 96 | Very high | 92 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133 | 175.6 | -56.6 | -76.9 | 0 | 0 | 0 | 109.4 | L23 C148 F163 L166 Q170 K191 F192 Y193 V194 | L23-F150 HydrophobicContact CB-CD1 3.94Å; L23-F150 HydrophobicContact CB-CE1 4.26Å; L23-F150 HydrophobicContact CD1-CD1 4.35Å; L23-F150 HydrophobicContact CD1-CE1 3.84Å; L23-F150 WeakPolarHBondContact O-CA 3.37Å; C148-F150 HydrophobicContact CB-CE2 4.09Å; C148-F150 HydrophobicContact CB-CZ 3.93Å; C148-F150 VanDerWaalsContact SG-CE1 3.6Å; C148-F150 VanDerWaalsContact SG-CZ 3.58Å; F150-F163 HydrophobicContact CB-CD1 3.92Å; F150-F163 HydrophobicContact CB-CE1 4.19Å; F150-L166 HydrophobicContact CD1-CB 3.78Å; F150-L166 HydrophobicContact CE1-CB 4.39Å; F150-L166 WeakPolarHBondContact CE1-O 3.14Å; F150-Q170 HydrophobicContact CE1-CB 3.76Å; F150-Q170 HydrophobicContact CE1-CG 4.19Å; F150-Q170 HydrophobicContact CZ-CB 3.84Å; F150-Q170 HydrophobicContact CZ-CG 3.92Å; F150-K191 HydrophobicContact CE2-CB 3.84Å; F150-K191 HydrophobicContact CE2-CD 4.12Å; F150-K191 HydrophobicContact CE2-CG 3.94Å; F150-K191 HydrophobicContact CZ-CD 4.36Å; F150-K191 HydrophobicContact CZ-CG 4.47Å; F150-F192 WeakPolarHBondContact CD2-O 3.36Å; F150-F192 PolarHBondContact N-O 2.87Å; F150-Y193 HydrophobicContact CB-CD1 3.92Å; F150-Y193 HydrophobicContact CB-CE1 4.14Å; F150-Y193 AromaticContact CD2-CD1 3.94Å; F150-Y193 HydrophobicContact CD2-CD1 3.94Å; F150-Y193 AromaticContact CD2-CE1 3.52Å; F150-Y193 HydrophobicContact CD2-CE1 3.52Å; F150-Y193 HydrophobicContact CD2-CE2 4.42Å; F150-Y193 AromaticContact CD2-CZ 3.78Å; F150-Y193 HydrophobicContact CE2-CE1 4.22Å; F150-Y193 HydrophobicContact CG-CD1 4.25Å; F150-Y193 AromaticContact CG-CE1 3.99Å; F150-Y193 HydrophobicContact CG-CE1 3.99Å; F150-V194 PolarHBondContact O-N 2.91Å |
| 151 | V | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.1 | -173.3 | -156.6 | 0 | 0 | 0 | 0 | 111 | L23 V24 S25 V28 F39 I149 V194 L196 | L23-V151 PolarHBondContact O-N 2.77Å; V24-V151 HydrophobicContact CG2-CG2 4.18Å; S25-V151 PolarHBondContact N-O 2.73Å; S25-V151 VanDerWaalsContact N-O 3.07Å; S25-V151 PolarHBondContact OG-O 2.75Å; V28-V151 HydrophobicContact CG1-CB 4.45Å; V28-V151 HydrophobicContact CG1-CG1 3.91Å; V28-V151 HydrophobicContact CG2-CB 4.36Å; V28-V151 HydrophobicContact CG2-CG1 3.92Å; F39-V151 HydrophobicContact CD1-CG1 4.36Å; F39-V151 HydrophobicContact CD1-CG2 3.82Å; F39-V151 HydrophobicContact CD2-CG1 4.27Å; F39-V151 HydrophobicContact CE1-CB 4.43Å; F39-V151 HydrophobicContact CE1-CG1 4.07Å; F39-V151 HydrophobicContact CE1-CG2 3.55Å; F39-V151 HydrophobicContact CE2-CG1 3.97Å; F39-V151 HydrophobicContact CG-CG1 4.47Å; F39-V151 HydrophobicContact CZ-CG1 3.87Å; F39-V151 HydrophobicContact CZ-CG2 4.14Å; I149-V151 HydrophobicContact CG2-CG2 4.1Å; V151-V194 WeakPolarHBondContact CA-O 2.99Å; V151-V194 HydrophobicContact CG1-CB 4.19Å; V151-V194 HydrophobicContact CG1-CG1 4.19Å; V151-L196 HydrophobicContact CG1-CB 4.44Å |
| 152 | L | 95.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 154.5 | 175.5 | -81.9 | 160.8 | 0 | 0 | 0 | 110.6 | S25 H156 P159 G162 F163 L166 V194 L196 | S25-L152 WeakPolarHBondContact OG-CD2 3.46Å; L152-H156 HydrophobicContact CD2-CB 4.01Å; L152-H156 VanDerWaalsContact CD2-CD2 3.48Å; L152-H156 WeakPolarHBondContact CD2-CD2 3.48Å; L152-P159 WeakPolarHBondContact CD1-O 3.38Å; L152-G162 VanDerWaalsContact CD1-C 3.43Å; L152-F163 HydrophobicContact CB-CE1 4.02Å; L152-F163 HydrophobicContact CB-CE2 4.42Å; L152-F163 HydrophobicContact CB-CZ 3.91Å; L152-F163 HydrophobicContact CD1-CB 4.18Å; L152-F163 HydrophobicContact CD1-CD1 3.53Å; L152-F163 HydrophobicContact CD1-CD2 3.87Å; L152-F163 HydrophobicContact CD1-CE1 3.78Å; L152-F163 HydrophobicContact CD1-CE2 4.09Å; L152-F163 HydrophobicContact CD1-CG 3.57Å; L152-F163 HydrophobicContact CD1-CZ 4.05Å; L152-F163 HydrophobicContact CG-CD1 4.26Å; L152-F163 HydrophobicContact CG-CE1 4.11Å; L152-F163 HydrophobicContact CG-CZ 4.42Å; L152-L166 HydrophobicContact CD1-CD1 4.33Å; L152-L166 HydrophobicContact CG-CD1 4.09Å; L152-V194 PolarHBondContact N-O 2.91Å; L152-L196 PolarHBondContact O-N 2.86Å |
| 153 | T | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 158.8 | 171 | 71 | 0 | 0 | 0 | 0 | 112.8 | D27 V28 L31 S155 H156 L196 | D27-T153 HydrophobicContact CB-CG2 4.19Å; D27-T153 WeakPolarHBondContact O-CG2 3.22Å; D27-T153 VanDerWaalsContact OD2-CB 3.23Å; D27-T153 WeakPolarHBondContact OD2-CB 3.34Å; D27-T153 VanDerWaalsContact OD2-CG2 3.26Å; D27-T153 WeakPolarHBondContact OD2-CG2 3.25Å; D27-T153 PolarHBondContact OD2-N 2.8Å; D27-T153 PolarHBondContact OD2-OG1 2.82Å; V28-T153 HydrophobicContact CB-CG2 4.3Å; V28-T153 HydrophobicContact CG2-CG2 3.62Å; L31-T153 HydrophobicContact CB-CG2 4.27Å; L31-T153 HydrophobicContact CD1-CG2 3.61Å; T153-S155 WeakPolarHBondContact CB-OG 3.18Å; T153-S155 PolarHBondContact O-N 3.16Å; T153-S155 PolarHBondContact OG1-N 2.75Å; T153-S155 PolarHBondContact OG1-OG 3.05Å; T153-H156 WeakPolarHBondContact O-CB 3.48Å; T153-H156 PolarHBondContact O-N 3.34Å; T153-H156 VanDerWaalsContact O-N 3.17Å; T153-H156 PolarHBondContact OG1-N 2.69Å; T153-L196 CarbonylContact C-O 3.48Å; T153-L196 WeakPolarHBondContact CA-O 3.16Å |
| 154 | T | 91.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.4 | 165 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | L195 L196 H197 V208 | T154-L195 HydrophobicContact CG2-CD1 4.23Å; T154-L195 HydrophobicContact CG2-CD2 4.03Å; T154-L195 HydrophobicContact CG2-CG 3.85Å; T154-L196 PolarHBondContact N-O 2.84Å; T154-H197 HydrophobicContact CG2-CB 3.68Å; T154-H197 PolarHBondContact OG1-ND1 2.89Å; T154-V208 HydrophobicContact CG2-CG1 3.91Å; T154-V208 HydrophobicContact CG2-CG2 4.41Å |
| 155 | S | 86.4 | Confident | 93.4 | Very high | 79 Ų | 79 | 33 Ų | 33 | 55% | 0.552 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -6 | 175.7 | 26.5 | 0 | 0 | 0 | 0 | 113.6 | T153 | T153-S155 WeakPolarHBondContact CB-OG 3.18Å; T153-S155 PolarHBondContact O-N 3.16Å; T153-S155 PolarHBondContact OG1-N 2.75Å; T153-S155 PolarHBondContact OG1-OG 3.05Å |
| 156 | H | 91.3 | Very high | 93.4 | Very high | 44 Ų | 44 | 33.8 Ų | 33.8 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -64 | 131.6 | 174 | -168.5 | -95.9 | 0 | 0 | 0 | 110.3 | D27 L152 T153 D158 P159 | D27-H156 IonicContact OD1-CD2 3.19Å; L152-H156 HydrophobicContact CD2-CB 4.01Å; L152-H156 VanDerWaalsContact CD2-CD2 3.48Å; L152-H156 WeakPolarHBondContact CD2-CD2 3.48Å; T153-H156 WeakPolarHBondContact O-CB 3.48Å; T153-H156 PolarHBondContact O-N 3.34Å; T153-H156 VanDerWaalsContact O-N 3.17Å; T153-H156 PolarHBondContact OG1-N 2.69Å; H156-D158 VanDerWaalsContact C-N 3.29Å; H156-D158 PolarHBondContact CE1-O 2.98Å; H156-D158 VanDerWaalsContact CE1-O 3.23Å; H156-D158 VanDerWaalsContact ND1-C 3.28Å; H156-D158 PolarHBondContact ND1-O 3.31Å; H156-D158 PolarHBondContact O-N 3.26Å; H156-P159 HydrophobicContact CB-CG 4.49Å; H156-P159 WeakPolarHBondContact O-CD 3.33Å; H156-P159 WeakPolarHBondContact O-CG 3.11Å |
| 157 | P | 88.3 | Confident | 93.4 | Very high | 129 Ų | 129 | 35 Ų | 35 | 84% | 0.838 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -67.3 | -25.2 | -168.3 | 24.9 | -35.2 | 0 | 0 | 0 | 114.5 | ||
| 158 | D | 92.2 | Very high | 93.2 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | trans | -141.8 | 92.6 | 169 | -178.3 | -17.2 | 0 | 0 | 0 | 109.1 | H156 I160 R161 G162 | H156-D158 VanDerWaalsContact C-N 3.29Å; H156-D158 PolarHBondContact CE1-O 2.98Å; H156-D158 VanDerWaalsContact CE1-O 3.23Å; H156-D158 VanDerWaalsContact ND1-C 3.28Å; H156-D158 PolarHBondContact ND1-O 3.31Å; H156-D158 PolarHBondContact O-N 3.26Å; D158-I160 VanDerWaalsContact C-N 3.27Å; D158-I160 PolarHBondContact O-N 2.8Å; D158-I160 PolarHBondContact OD1-N 3.45Å; D158-I160 VanDerWaalsContact OD1-N 3.13Å; D158-R161 HydrophobicContact CB-CB 3.99Å; D158-R161 WeakPolarHBondContact OD1-CB 3.43Å; D158-R161 PolarHBondContact OD1-N 3.42Å; D158-R161 WeakPolarHBondContact OD2-CB 3.33Å; D158-G162 PolarHBondContact O-N 3.1Å | ||
| 159 | P | 90.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 10% | 0.104 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.8 | -28 | -177.5 | -24.9 | 36.9 | 0 | 0 | 0 | 113.4 | L152 H156 F163 L195 I211 | L152-P159 WeakPolarHBondContact CD1-O 3.38Å; H156-P159 HydrophobicContact CB-CG 4.49Å; H156-P159 WeakPolarHBondContact O-CD 3.33Å; H156-P159 WeakPolarHBondContact O-CG 3.11Å; P159-F163 WeakPolarHBondContact O-CD2 3.4Å; P159-F163 PolarHBondContact O-N 2.91Å; P159-L195 HydrophobicContact CB-CD1 4.49Å; P159-I211 HydrophobicContact CB-CG2 4.19Å; P159-I211 HydrophobicContact CG-CG2 3.84Å |
| 160 | I | 93.9 | Very high | 92.6 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.1 | -46 | -179.1 | -58 | -59.8 | 0 | 0 | 0 | 110.2 | D158 T164 Q214 V215 T218 F219 | D158-I160 VanDerWaalsContact C-N 3.27Å; D158-I160 PolarHBondContact O-N 2.8Å; D158-I160 PolarHBondContact OD1-N 3.45Å; D158-I160 VanDerWaalsContact OD1-N 3.13Å; I160-T164 WeakPolarHBondContact O-CB 3.18Å; I160-T164 PolarHBondContact O-N 3.34Å; I160-T164 VanDerWaalsContact O-N 3.11Å; I160-T164 PolarHBondContact O-OG1 2.87Å; I160-Q214 HydrophobicContact CD1-CB 4.13Å; I160-V215 HydrophobicContact CD1-CB 4.38Å; I160-V215 HydrophobicContact CD1-CG2 3.76Å; I160-T218 HydrophobicContact CG2-CG2 4.1Å; I160-F219 HydrophobicContact CD1-CE2 4.31Å |
| 161 | R | 94.4 | Very high | 92.1 | Very high | 152 Ų | 152 | 44.6 Ų | 44.6 | 57% | 0.574 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63 | -44.8 | 172.2 | -179.8 | 178.4 | 166.8 | -169 | -10.9 | 111.3 | D158 F163 T164 E165 | D158-R161 HydrophobicContact CB-CB 3.99Å; D158-R161 WeakPolarHBondContact OD1-CB 3.43Å; D158-R161 PolarHBondContact OD1-N 3.42Å; D158-R161 WeakPolarHBondContact OD2-CB 3.33Å; R161-F163 PolarHBondContact O-N 2.99Å; R161-T164 CarbonylContact O-C 3.57Å; R161-T164 WeakPolarHBondContact O-CA 3.14Å; R161-T164 WeakPolarHBondContact O-CB 3.35Å; R161-T164 PolarHBondContact O-N 3.26Å; R161-E165 HydrophobicContact CG-CG 4.28Å; R161-E165 IonicContact CZ-OE1 2.77Å; R161-E165 IonicContact NE-OE1 3.02Å; R161-E165 PolarHBondContact NE-OE1 2.94Å; R161-E165 IonicContact NH2-OE1 2.73Å; R161-E165 PolarHBondContact NH2-OE1 3.34Å; R161-E165 WeakPolarHBondContact O-CG 3.25Å; R161-E165 PolarHBondContact O-N 2.62Å |
| 162 | G | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.8 | -49.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L152 D158 T164 E165 L166 | L152-G162 VanDerWaalsContact CD1-C 3.43Å; D158-G162 PolarHBondContact O-N 3.1Å; G162-T164 PolarHBondContact O-N 2.84Å; G162-E165 PolarHBondContact O-N 2.69Å; G162-L166 WeakPolarHBondContact O-CG 3.37Å; G162-L166 PolarHBondContact O-N 2.99Å |
| 163 | F | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -31.1 | 178.1 | -78.8 | -51.6 | 0 | 0 | 0 | 111.9 | F150 L152 P159 R161 T167 Y193 V194 L195 V215 F219 | F150-F163 HydrophobicContact CB-CD1 3.92Å; F150-F163 HydrophobicContact CB-CE1 4.19Å; L152-F163 HydrophobicContact CB-CE1 4.02Å; L152-F163 HydrophobicContact CB-CE2 4.42Å; L152-F163 HydrophobicContact CB-CZ 3.91Å; L152-F163 HydrophobicContact CD1-CB 4.18Å; L152-F163 HydrophobicContact CD1-CD1 3.53Å; L152-F163 HydrophobicContact CD1-CD2 3.87Å; L152-F163 HydrophobicContact CD1-CE1 3.78Å; L152-F163 HydrophobicContact CD1-CE2 4.09Å; L152-F163 HydrophobicContact CD1-CG 3.57Å; L152-F163 HydrophobicContact CD1-CZ 4.05Å; L152-F163 HydrophobicContact CG-CD1 4.26Å; L152-F163 HydrophobicContact CG-CE1 4.11Å; L152-F163 HydrophobicContact CG-CZ 4.42Å; P159-F163 WeakPolarHBondContact O-CD2 3.4Å; P159-F163 PolarHBondContact O-N 2.91Å; R161-F163 PolarHBondContact O-N 2.99Å; F163-T167 VanDerWaalsContact O-CB 3.23Å; F163-T167 WeakPolarHBondContact O-CB 3.32Å; F163-T167 PolarHBondContact O-N 3.04Å; F163-T167 PolarHBondContact O-OG1 2.85Å; F163-Y193 HydrophobicContact CB-CD1 4.07Å; F163-Y193 HydrophobicContact CB-CE1 4.17Å; F163-Y193 AromaticContact CD1-CD1 3.59Å; F163-Y193 HydrophobicContact CD1-CD1 3.59Å; F163-Y193 HydrophobicContact CD1-CE1 4.3Å; F163-Y193 HydrophobicContact CE1-CD1 4.15Å; F163-Y193 AromaticContact CG-CD1 3.84Å; F163-Y193 HydrophobicContact CG-CD1 3.84Å; F163-Y193 HydrophobicContact CG-CE1 4.43Å; F163-V194 WeakPolarHBondContact CZ-O 3.32Å; F163-L195 HydrophobicContact CE2-CD1 4.45Å; F163-V215 HydrophobicContact CD2-CG1 4.13Å; F163-V215 HydrophobicContact CD2-CG2 4.1Å; F163-V215 HydrophobicContact CE2-CG1 3.79Å; F163-V215 HydrophobicContact CE2-CG2 3.81Å; F163-F219 HydrophobicContact CB-CD2 4.36Å; F163-F219 HydrophobicContact CB-CE1 4.16Å; F163-F219 HydrophobicContact CB-CE2 3.56Å; F163-F219 HydrophobicContact CB-CZ 3.44Å; F163-F219 VanDerWaalsContact CB-CZ 3.44Å; F163-F219 HydrophobicContact CD2-CD2 4.44Å; F163-F219 HydrophobicContact CD2-CE2 4.04Å; F163-F219 HydrophobicContact CG-CE2 4.18Å; F163-F219 HydrophobicContact CG-CZ 4.49Å |
| 164 | T | 94.8 | Very high | 90.1 | Very high | 51 Ų | 51 | 52 Ų | 52 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.1 | -46.6 | 174.7 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | I160 R161 G162 T167 Q168 | I160-T164 WeakPolarHBondContact O-CB 3.18Å; I160-T164 PolarHBondContact O-N 3.34Å; I160-T164 VanDerWaalsContact O-N 3.11Å; I160-T164 PolarHBondContact O-OG1 2.87Å; R161-T164 CarbonylContact O-C 3.57Å; R161-T164 WeakPolarHBondContact O-CA 3.14Å; R161-T164 WeakPolarHBondContact O-CB 3.35Å; R161-T164 PolarHBondContact O-N 3.26Å; G162-T164 PolarHBondContact O-N 2.84Å; T164-T167 PolarHBondContact O-N 3.36Å; T164-Q168 WeakPolarHBondContact O-CG 3.34Å; T164-Q168 PolarHBondContact O-N 3.44Å |
| 165 | E | 94.3 | Very high | 89.4 | Confident | 86 Ų | 86 | 56.2 Ų | 56.2 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 178.1 | -72.2 | 176.6 | 165.6 | 0 | 0 | 111.8 | R161 G162 T167 Q168 S169 | R161-E165 HydrophobicContact CG-CG 4.28Å; R161-E165 IonicContact CZ-OE1 2.77Å; R161-E165 IonicContact NE-OE1 3.02Å; R161-E165 PolarHBondContact NE-OE1 2.94Å; R161-E165 IonicContact NH2-OE1 2.73Å; R161-E165 PolarHBondContact NH2-OE1 3.34Å; R161-E165 WeakPolarHBondContact O-CG 3.25Å; R161-E165 PolarHBondContact O-N 2.62Å; G162-E165 PolarHBondContact O-N 2.69Å; E165-T167 PolarHBondContact O-N 2.85Å; E165-Q168 PolarHBondContact O-N 2.6Å; E165-S169 WeakPolarHBondContact O-CB 3.31Å; E165-S169 PolarHBondContact O-N 2.87Å |
| 166 | L | 92.6 | Very high | 88.4 | Confident | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 172.9 | -65.6 | 175.6 | 0 | 0 | 0 | 112.1 | F150 L152 G162 Q168 S169 Q170 | F150-L166 HydrophobicContact CD1-CB 3.78Å; F150-L166 HydrophobicContact CE1-CB 4.39Å; F150-L166 WeakPolarHBondContact CE1-O 3.14Å; L152-L166 HydrophobicContact CD1-CD1 4.33Å; L152-L166 HydrophobicContact CG-CD1 4.09Å; G162-L166 WeakPolarHBondContact O-CG 3.37Å; G162-L166 PolarHBondContact O-N 2.99Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-Q168 PolarHBondContact O-N 3.34Å; L166-S169 PolarHBondContact O-N 3.41Å; L166-Q170 PolarHBondContact O-N 2.84Å |
| 167 | T | 92.7 | Very high | 86.7 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 15% | 0.153 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 176.4 | -61.8 | 0 | 0 | 0 | 0 | 112 | F163 T164 E165 S171 K191 Y193 | F163-T167 VanDerWaalsContact O-CB 3.23Å; F163-T167 WeakPolarHBondContact O-CB 3.32Å; F163-T167 PolarHBondContact O-N 3.04Å; F163-T167 PolarHBondContact O-OG1 2.85Å; T164-T167 PolarHBondContact O-N 3.36Å; E165-T167 PolarHBondContact O-N 2.85Å; T167-S171 WeakPolarHBondContact O-CB 3.42Å; T167-S171 PolarHBondContact O-N 3.41Å; T167-S171 VanDerWaalsContact O-N 3.12Å; T167-K191 HydrophobicContact CG2-CD 4.06Å; T167-Y193 WeakPolarHBondContact OG1-CE1 3.48Å; T167-Y193 PolarHBondContact OG1-OH 3.07Å |
| 168 | Q | 91 | Very high | 84.9 | Confident | 110 Ų | 110 | 61.8 Ų | 61.8 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 174.2 | -73.7 | 176 | 8.1 | 0 | 0 | 111.5 | T164 E165 L166 Q170 S171 N172 | T164-Q168 WeakPolarHBondContact O-CG 3.34Å; T164-Q168 PolarHBondContact O-N 3.44Å; E165-Q168 PolarHBondContact O-N 2.6Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-Q168 PolarHBondContact O-N 3.34Å; Q168-Q170 VanDerWaalsContact C-N 3.33Å; Q168-Q170 PolarHBondContact O-N 3.21Å; Q168-S171 WeakPolarHBondContact O-CB 3.5Å; Q168-S171 PolarHBondContact O-N 2.87Å; Q168-S171 VanDerWaalsContact O-N 3.12Å; Q168-N172 WeakPolarHBondContact O-CB 3.3Å; Q168-N172 PolarHBondContact O-N 2.88Å; Q168-N172 PolarHBondContact O-ND2 3.43Å; Q168-N172 PolarHBondContact O-OD1 3.23Å |
| 169 | S | 88.2 | Confident | 83.1 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.3 | -48.1 | 174.7 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | E165 L166 S171 N172 Q173 | E165-S169 WeakPolarHBondContact O-CB 3.31Å; E165-S169 PolarHBondContact O-N 2.87Å; L166-S169 PolarHBondContact O-N 3.41Å; S169-S171 PolarHBondContact O-N 2.97Å; S169-N172 PolarHBondContact O-N 2.87Å; S169-Q173 WeakPolarHBondContact O-CG 3.49Å; S169-Q173 PolarHBondContact O-N 3.4Å |
| 170 | Q | 89.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58 | -45.5 | 174 | -170.4 | -81 | -41.6 | 0 | 0 | 112.6 | L23 C148 F150 L166 Q168 N172 Q173 Q174 W184 | L23-Q170 HydrophobicContact CD1-CB 3.61Å; L23-Q170 HydrophobicContact CD1-CG 4.12Å; C148-Q170 HydrophobicContact CB-CG 4.19Å; F150-Q170 HydrophobicContact CE1-CB 3.76Å; F150-Q170 HydrophobicContact CE1-CG 4.19Å; F150-Q170 HydrophobicContact CZ-CB 3.84Å; F150-Q170 HydrophobicContact CZ-CG 3.92Å; L166-Q170 PolarHBondContact O-N 2.84Å; Q168-Q170 VanDerWaalsContact C-N 3.33Å; Q168-Q170 PolarHBondContact O-N 3.21Å; Q170-N172 VanDerWaalsContact C-N 3.33Å; Q170-N172 PolarHBondContact O-N 3.11Å; Q170-Q173 PolarHBondContact O-N 3.46Å; Q170-Q174 WeakPolarHBondContact O-CB 3.41Å; Q170-Q174 PolarHBondContact O-N 2.96Å; Q170-W184 HydrophobicContact CG-CH2 3.57Å; Q170-W184 HydrophobicContact CG-CZ2 3.63Å; Q170-W184 HydrophobicContact CG-CZ3 4.48Å; Q170-W184 VanDerWaalsContact NE2-CZ2 3.31Å |
| 171 | S | 86.6 | Confident | 79.7 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 178.7 | -160.1 | 0 | 0 | 0 | 0 | 111.9 | T167 Q168 S169 Q174 H175 | T167-S171 WeakPolarHBondContact O-CB 3.42Å; T167-S171 PolarHBondContact O-N 3.41Å; T167-S171 VanDerWaalsContact O-N 3.12Å; Q168-S171 WeakPolarHBondContact O-CB 3.5Å; Q168-S171 PolarHBondContact O-N 2.87Å; Q168-S171 VanDerWaalsContact O-N 3.12Å; S169-S171 PolarHBondContact O-N 2.97Å; S171-Q174 PolarHBondContact O-N 3.17Å; S171-H175 PolarHBondContact O-CD2 3.36Å; S171-H175 VanDerWaalsContact O-CD2 3.27Å; S171-H175 PolarHBondContact O-N 3.3Å |
| 172 | N | 83.8 | Confident | 78.6 | Confident | 78 Ų | 78 | 60 Ų | 60 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.7 | -44.9 | 179.6 | -67 | -14.6 | 0 | 0 | 0 | 111.4 | Q168 S169 Q170 Q174 H175 H176 | Q168-N172 WeakPolarHBondContact O-CB 3.3Å; Q168-N172 PolarHBondContact O-N 2.88Å; Q168-N172 PolarHBondContact O-ND2 3.43Å; Q168-N172 PolarHBondContact O-OD1 3.23Å; S169-N172 PolarHBondContact O-N 2.87Å; Q170-N172 VanDerWaalsContact C-N 3.33Å; Q170-N172 PolarHBondContact O-N 3.11Å; N172-Q174 PolarHBondContact O-N 3.22Å; N172-H175 PolarHBondContact O-N 2.76Å; N172-H176 WeakPolarHBondContact O-CB 3.33Å; N172-H176 PolarHBondContact O-N 3.46Å |
| 173 | Q | 79.2 | Confident | 78 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56 | -40.8 | 171.9 | -73 | 173.1 | -21.2 | 0 | 0 | 111.5 | I75 S169 Q170 S180 | I75-Q173 VanDerWaalsContact CG2-OE1 3.26Å; S169-Q173 WeakPolarHBondContact O-CG 3.49Å; S169-Q173 PolarHBondContact O-N 3.4Å; Q170-Q173 PolarHBondContact O-N 3.46Å; Q173-S180 PolarHBondContact O-OG 3.25Å |
| 174 | Q | 80.6 | Confident | 77.5 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 15% | 0.15 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -74.8 | -36.6 | -177.1 | -179 | 157.7 | 16.3 | 0 | 0 | 114.4 | Q170 S171 N172 W184 T186 E187 | Q170-Q174 WeakPolarHBondContact O-CB 3.41Å; Q170-Q174 PolarHBondContact O-N 2.96Å; S171-Q174 PolarHBondContact O-N 3.17Å; N172-Q174 PolarHBondContact O-N 3.22Å; Q174-W184 HydrophobicContact CB-CG 4.44Å; Q174-W184 HydrophobicContact CG-CB 4.43Å; Q174-W184 HydrophobicContact CG-CG 4.11Å; Q174-W184 VanDerWaalsContact NE2-CB 3.34Å; Q174-T186 PolarHBondContact NE2-O 2.78Å; Q174-E187 VanDerWaalsContact NE2-CA 3.31Å; Q174-E187 PolarHBondContact NE2-O 3.26Å; Q174-E187 PolarHBondContact OE1-O 2.81Å |
| 175 | H | 76.9 | Confident | 77.2 | Confident | 97 Ų | 97 | 60 Ų | 60 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -109.1 | -28 | -170.7 | -67.3 | -69.7 | 0 | 0 | 0 | 115.5 | S171 N172 | S171-H175 PolarHBondContact O-CD2 3.36Å; S171-H175 VanDerWaalsContact O-CD2 3.27Å; S171-H175 PolarHBondContact O-N 3.3Å; N172-H175 PolarHBondContact O-N 2.76Å |
| 176 | H | 64.5 | Low | 76.8 | Confident | 139 Ų | 139 | 56.9 Ų | 56.9 | 64% | 0.644 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -96.1 | -8.1 | -171.8 | -71.2 | -50.2 | 0 | 0 | 0 | 115.2 | N172 | N172-H176 WeakPolarHBondContact O-CB 3.33Å; N172-H176 PolarHBondContact O-N 3.46Å |
| 177 | L | 56.6 | Low | 76.2 | Confident | 98 Ų | 98 | 60.8 Ų | 60.8 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -122.8 | 89.7 | 176.1 | -60.9 | 91.4 | 0 | 0 | 0 | 110.7 | G179 S180 | L177-G179 PolarHBondContact O-N 3.39Å; L177-S180 VanDerWaalsContact CB-CB 3.4Å; L177-S180 WeakPolarHBondContact CB-OG 3.11Å; L177-S180 VanDerWaalsContact O-CB 3.32Å; L177-S180 WeakPolarHBondContact O-CB 3.45Å; L177-S180 PolarHBondContact O-N 3.02Å; L177-S180 PolarHBondContact O-OG 2.87Å |
| 178 | P | 49.3 | Very low | 75.7 | Confident | 132 Ų | 132 | 65.4 Ų | 65.4 | 86% | 0.857 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 125.4 | 173.8 | 25.2 | -33.5 | 0 | 0 | 0 | 110.4 | ||
| 179 | G | 55.1 | Low | 75.7 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 67% | 0.67 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 8.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L177 | L177-G179 PolarHBondContact O-N 3.39Š|
| 180 | S | 52.6 | Low | 76 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | trans | -71.5 | 168.8 | 173.8 | 64.1 | 0 | 0 | 0 | 0 | 114 | Q173 L177 | Q173-S180 PolarHBondContact O-OG 3.25Å; L177-S180 VanDerWaalsContact CB-CB 3.4Å; L177-S180 WeakPolarHBondContact CB-OG 3.11Å; L177-S180 VanDerWaalsContact O-CB 3.32Å; L177-S180 WeakPolarHBondContact O-CB 3.45Å; L177-S180 PolarHBondContact O-N 3.02Å; L177-S180 PolarHBondContact O-OG 2.87Å | ||
| 181 | R | 59.6 | Low | 76.2 | Confident | 122 Ų | 122 | 61.3 Ų | 61.3 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -113.9 | 148.6 | 167.4 | -69.6 | 159.3 | -178.2 | -177.6 | -9.2 | 107.9 | Q135 F183 | Q135-R181 VanDerWaalsContact OE1-CZ 3.24Å; R181-F183 HydrophobicContact CG-CD2 3.89Å; R181-F183 HydrophobicContact CG-CE2 3.57Å; R181-F183 HydrophobicContact CG-CZ 4.2Å |
| 182 | P | 72.7 | Confident | 76.7 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 14% | 0.143 | 32% | 0.316 | C | S | . | . | S | Bend | cis | -73 | 152.7 | 3.8 | 33.1 | -39.9 | 0 | 0 | 0 | 113.7 | I75 W184 | I75-P182 HydrophobicContact CB-CG 4.47Å; I75-P182 HydrophobicContact CG1-CG 4.13Å; I75-P182 HydrophobicContact CG2-CG 3.73Å; P182-W184 HydrophobicContact CG-CH2 4.49Å; P182-W184 HydrophobicContact CG-CZ2 3.69Å; P182-W184 VanDerWaalsContact O-CD1 3.27Å; P182-W184 PolarHBondContact O-NE1 2.95Å |
| 183 | F | 80.1 | Confident | 77.3 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | trans | -80.4 | 141.3 | 172.2 | -66.7 | -84.1 | 0 | 0 | 0 | 111.2 | P136 N145 R181 | P136-F183 HydrophobicContact CB-CD2 3.59Å; P136-F183 HydrophobicContact CB-CE2 4Å; P136-F183 HydrophobicContact CB-CG 4.31Å; P136-F183 HydrophobicContact CG-CD2 3.92Å; P136-F183 WeakPolarHBondContact O-CE2 3.33Å; N145-F183 PolarHBondContact N-O 3.4Å; N145-F183 PolarHBondContact ND2-O 2.98Å; R181-F183 HydrophobicContact CG-CD2 3.89Å; R181-F183 HydrophobicContact CG-CE2 3.57Å; R181-F183 HydrophobicContact CG-CZ 4.2Å | ||
| 184 | W | 87 | Confident | 78.1 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 8% | 0.08 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -122.9 | 135 | -173.7 | -60.4 | 104.7 | 0 | 0 | 0 | 111.3 | I75 N145 C148 Q170 Q174 P182 T186 V189 | I75-W184 HydrophobicContact CD1-CH2 3.45Å; I75-W184 VanDerWaalsContact CD1-CH2 3.45Å; I75-W184 HydrophobicContact CD1-CZ2 4.02Å; I75-W184 HydrophobicContact CD1-CZ3 4.36Å; I75-W184 HydrophobicContact CG1-CH2 4.5Å; N145-W184 HydrophobicContact CB-CE3 3.65Å; N145-W184 HydrophobicContact CB-CZ3 3.88Å; C148-W184 HydrophobicContact CB-CH2 3.85Å; C148-W184 HydrophobicContact CB-CZ3 3.85Å; Q170-W184 HydrophobicContact CG-CH2 3.57Å; Q170-W184 HydrophobicContact CG-CZ2 3.63Å; Q170-W184 HydrophobicContact CG-CZ3 4.48Å; Q170-W184 VanDerWaalsContact NE2-CZ2 3.31Å; Q174-W184 HydrophobicContact CB-CG 4.44Å; Q174-W184 HydrophobicContact CG-CB 4.43Å; Q174-W184 HydrophobicContact CG-CG 4.11Å; Q174-W184 VanDerWaalsContact NE2-CB 3.34Å; P182-W184 HydrophobicContact CG-CH2 4.49Å; P182-W184 HydrophobicContact CG-CZ2 3.69Å; P182-W184 VanDerWaalsContact O-CD1 3.27Å; P182-W184 PolarHBondContact O-NE1 2.95Å; W184-T186 VanDerWaalsContact C-N 3.31Å; W184-T186 PolarHBondContact O-N 3.25Å; W184-V189 HydrophobicContact CB-CG1 4.06Å; W184-V189 HydrophobicContact CE3-CB 4.33Å; W184-V189 HydrophobicContact CE3-CG1 3.87Å; W184-V189 HydrophobicContact CE3-CG2 3.8Å; W184-V189 HydrophobicContact CZ3-CG2 3.96Å |
| 185 | F | 89.1 | Confident | 78.8 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -70.6 | -22.9 | -171.5 | -175 | -88.2 | 0 | 0 | 0 | 114.6 | F141 H144 N145 L146 W397 T401 L405 R521 L525 | F141-F185 HydrophobicContact CB-CD2 3.77Å; F141-F185 HydrophobicContact CB-CE2 3.65Å; H144-F185 HydrophobicContact CB-CB 4.15Å; H144-F185 HydrophobicContact CB-CD2 4.48Å; N145-F185 WeakPolarHBondContact O-CB 3.38Å; N145-F185 PolarHBondContact O-N 2.85Å; L146-F185 HydrophobicContact CD2-CB 3.65Å; L146-F185 HydrophobicContact CD2-CD1 4.18Å; L146-F185 HydrophobicContact CD2-CD2 3.56Å; L146-F185 HydrophobicContact CD2-CE2 4.31Å; L146-F185 HydrophobicContact CD2-CG 3.51Å; F185-W397 AromaticContact CD1-CH2 3.95Å; F185-W397 HydrophobicContact CD1-CH2 3.95Å; F185-T401 HydrophobicContact CD1-CG2 4.42Å; F185-T401 HydrophobicContact CE1-CG2 3.84Å; F185-L405 HydrophobicContact CE1-CD1 4.4Å; F185-L405 HydrophobicContact CZ-CD1 4.48Å; F185-R521 HydrophobicContact CE2-CB 4.3Å; F185-R521 HydrophobicContact CZ-CB 3.84Å; F185-R521 HydrophobicContact CZ-CG 4.48Å; F185-R521 WeakPolarHBondContact CZ-O 3.34Å; F185-R521 PolarHBondContact O-NE 3.35Å; F185-R521 PolarHBondContact O-NH2 3.01Å; F185-L525 HydrophobicContact CE1-CD2 3.97Å; F185-L525 HydrophobicContact CE2-CB 4.28Å; F185-L525 HydrophobicContact CZ-CB 3.8Å; F185-L525 HydrophobicContact CZ-CD1 4.35Å; F185-L525 HydrophobicContact CZ-CD2 3.97Å; F185-L525 HydrophobicContact CZ-CG 4.27Å |
| 186 | T | 85 | Confident | 79.7 | Confident | 21 Ų | 21 | 48 Ų | 48 | 13% | 0.129 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -153.6 | 147.5 | -177.9 | 42 | 0 | 0 | 0 | 0 | 109.4 | Q174 W184 N188 V189 W397 T401 R521 | Q174-T186 PolarHBondContact NE2-O 2.78Å; W184-T186 VanDerWaalsContact C-N 3.31Å; W184-T186 PolarHBondContact O-N 3.25Å; T186-N188 PolarHBondContact O-N 2.85Å; T186-N188 PolarHBondContact OG1-O 2.85Å; T186-V189 VanDerWaalsContact O-CG1 3.3Å; T186-V189 WeakPolarHBondContact O-CG1 3.48Å; T186-V189 PolarHBondContact O-N 3.38Å; T186-V189 PolarHBondContact OG1-N 3.22Å; T186-W397 HydrophobicContact CG2-CZ2 4.4Å; T186-W397 WeakPolarHBondContact OG1-CZ2 3.49Å; T186-T401 HydrophobicContact CG2-CG2 4.32Å; T186-R521 VanDerWaalsContact CG2-NH2 3.33Å |
| 187 | E | 79.6 | Confident | 81 | Confident | 113 Ų | 113 | 41.8 Ų | 41.8 | 53% | 0.528 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -34.5 | 168.9 | -60.9 | -175.6 | 149.4 | 0 | 0 | 113.9 | Q174 | Q174-E187 VanDerWaalsContact NE2-CA 3.31Å; Q174-E187 PolarHBondContact NE2-O 3.26Å; Q174-E187 PolarHBondContact OE1-O 2.81Å |
| 188 | N | 83.6 | Confident | 82.6 | Confident | 122 Ų | 122 | 37.7 Ų | 37.7 | 65% | 0.652 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | 76 | 176.9 | -73.9 | -85.9 | 0 | 0 | 0 | 111 | T186 | T186-N188 PolarHBondContact O-N 2.85Å; T186-N188 PolarHBondContact OG1-O 2.85Å |
| 189 | V | 90.2 | Very high | 84.3 | Confident | 8 Ų | 8 | 32.4 Ų | 32.4 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | trans | -63.2 | 161.6 | 172.2 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | W184 T186 K191 | W184-V189 HydrophobicContact CB-CG1 4.06Å; W184-V189 HydrophobicContact CE3-CB 4.33Å; W184-V189 HydrophobicContact CE3-CG1 3.87Å; W184-V189 HydrophobicContact CE3-CG2 3.8Å; W184-V189 HydrophobicContact CZ3-CG2 3.96Å; T186-V189 VanDerWaalsContact O-CG1 3.3Å; T186-V189 WeakPolarHBondContact O-CG1 3.48Å; T186-V189 PolarHBondContact O-N 3.38Å; T186-V189 PolarHBondContact OG1-N 3.22Å; V189-K191 PolarHBondContact O-N 3.39Å | ||
| 190 | L | 94 | Very high | 85.6 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 126.7 | 173.7 | 173.5 | 61.7 | 0 | 0 | 0 | 110.7 | L146 A147 C148 F389 A393 L394 W397 | L146-L190 PolarHBondContact O-N 2.97Å; A147-L190 CarbonylContact C-O 3.58Å; A147-L190 VanDerWaalsContact CA-O 3.23Å; A147-L190 WeakPolarHBondContact CA-O 3.28Å; A147-L190 HydrophobicContact CB-CB 3.77Å; A147-L190 HydrophobicContact CB-CD2 4.05Å; A147-L190 HydrophobicContact CB-CG 4.09Å; C148-L190 PolarHBondContact N-O 3.18Å; L190-F389 HydrophobicContact CD2-CE2 4.19Å; L190-A393 HydrophobicContact CD1-CB 4.35Å; L190-A393 HydrophobicContact CD2-CB 3.97Å; L190-L394 HydrophobicContact CD2-CB 4.26Å; L190-L394 HydrophobicContact CD2-CD1 4.2Å; L190-W397 HydrophobicContact CB-CB 4.35Å; L190-W397 HydrophobicContact CB-CD2 4Å; L190-W397 HydrophobicContact CB-CG 3.8Å; L190-W397 HydrophobicContact CD1-CB 4.31Å; L190-W397 HydrophobicContact CD1-CG 4.4Å; L190-W397 HydrophobicContact CD2-CB 4.18Å; L190-W397 HydrophobicContact CD2-CG 4.5Å; L190-W397 HydrophobicContact CG-CG 4.46Å |
| 191 | K | 94.9 | Very high | 87 | Confident | 52 Ų | 52 | 31.3 Ų | 31.3 | 23% | 0.226 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.5 | 175.7 | -63.3 | -166.1 | 179.7 | -165.9 | 0 | 109.4 | F150 T167 V189 Y193 | F150-K191 HydrophobicContact CE2-CB 3.84Å; F150-K191 HydrophobicContact CE2-CD 4.12Å; F150-K191 HydrophobicContact CE2-CG 3.94Å; F150-K191 HydrophobicContact CZ-CD 4.36Å; F150-K191 HydrophobicContact CZ-CG 4.47Å; T167-K191 HydrophobicContact CG2-CD 4.06Å; V189-K191 PolarHBondContact O-N 3.39Å; K191-Y193 HydrophobicContact CB-CE2 4.01Å |
| 192 | F | 96.3 | Very high | 87.9 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143.4 | -178.2 | -161.6 | -90.3 | 0 | 0 | 0 | 110.6 | C148 I149 F150 V194 N223 H225 F385 F389 A393 | C148-F192 PolarHBondContact O-N 3.42Å; I149-F192 CarbonylContact C-O 3.41Å; I149-F192 WeakPolarHBondContact CA-O 3.37Å; I149-F192 HydrophobicContact CG1-CB 4.42Å; F150-F192 WeakPolarHBondContact CD2-O 3.36Å; F150-F192 PolarHBondContact N-O 2.87Å; F192-V194 HydrophobicContact CD1-CG2 4.07Å; F192-V194 HydrophobicContact CE1-CG2 4.16Å; F192-N223 CarbonylContact C-O 3.53Å; F192-N223 WeakPolarHBondContact CA-O 3.22Å; F192-N223 HydrophobicContact CD2-CB 4.45Å; F192-N223 WeakPolarHBondContact CD2-O 3.42Å; F192-N223 WeakPolarHBondContact CG-O 3.45Å; F192-H225 HydrophobicContact CE1-CB 3.78Å; F192-H225 HydrophobicContact CZ-CB 4.07Å; F192-F385 HydrophobicContact CD1-CE2 4.48Å; F192-F385 AromaticContact CE1-CE2 3.98Å; F192-F385 HydrophobicContact CE1-CE2 3.98Å; F192-F389 HydrophobicContact CB-CD2 4.05Å; F192-F389 HydrophobicContact CB-CE2 3.93Å; F192-F389 AromaticContact CD1-CD2 3.84Å; F192-F389 HydrophobicContact CD1-CD2 3.84Å; F192-F389 AromaticContact CD2-CD2 3.94Å; F192-F389 HydrophobicContact CD2-CD2 3.94Å; F192-F389 HydrophobicContact CD2-CE2 4.45Å; F192-F389 HydrophobicContact CE1-CB 4.5Å; F192-F389 HydrophobicContact CE1-CD2 4.27Å; F192-F389 HydrophobicContact CE2-CD2 4.35Å; F192-F389 AromaticContact CG-CD2 3.66Å; F192-F389 HydrophobicContact CG-CD2 3.66Å; F192-F389 HydrophobicContact CG-CE2 4.06Å; F192-A393 HydrophobicContact CD2-CB 3.55Å; F192-A393 HydrophobicContact CE2-CB 3.64Å |
| 193 | Y | 96.6 | Very high | 88.4 | Confident | 13 Ų | 13 | 35.3 Ų | 35.3 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.7 | -164.3 | -63.6 | -87.4 | 0 | 0 | 0 | 110.4 | F150 F163 T167 K191 F219 N223 C224 H225 | F150-Y193 HydrophobicContact CB-CD1 3.92Å; F150-Y193 HydrophobicContact CB-CE1 4.14Å; F150-Y193 AromaticContact CD2-CD1 3.94Å; F150-Y193 HydrophobicContact CD2-CD1 3.94Å; F150-Y193 AromaticContact CD2-CE1 3.52Å; F150-Y193 HydrophobicContact CD2-CE1 3.52Å; F150-Y193 HydrophobicContact CD2-CE2 4.42Å; F150-Y193 AromaticContact CD2-CZ 3.78Å; F150-Y193 HydrophobicContact CE2-CE1 4.22Å; F150-Y193 HydrophobicContact CG-CD1 4.25Å; F150-Y193 AromaticContact CG-CE1 3.99Å; F150-Y193 HydrophobicContact CG-CE1 3.99Å; F163-Y193 HydrophobicContact CB-CD1 4.07Å; F163-Y193 HydrophobicContact CB-CE1 4.17Å; F163-Y193 AromaticContact CD1-CD1 3.59Å; F163-Y193 HydrophobicContact CD1-CD1 3.59Å; F163-Y193 HydrophobicContact CD1-CE1 4.3Å; F163-Y193 HydrophobicContact CE1-CD1 4.15Å; F163-Y193 AromaticContact CG-CD1 3.84Å; F163-Y193 HydrophobicContact CG-CD1 3.84Å; F163-Y193 HydrophobicContact CG-CE1 4.43Å; T167-Y193 WeakPolarHBondContact OG1-CE1 3.48Å; T167-Y193 PolarHBondContact OG1-OH 3.07Å; K191-Y193 HydrophobicContact CB-CE2 4.01Å; Y193-F219 HydrophobicContact CD1-CB 4.43Å; Y193-F219 HydrophobicContact CD1-CD1 4.21Å; Y193-F219 HydrophobicContact CD1-CD2 4.46Å; Y193-F219 HydrophobicContact CD1-CG 4.1Å; Y193-F219 HydrophobicContact CD2-CB 3.67Å; Y193-F219 HydrophobicContact CD2-CD1 4.47Å; Y193-F219 HydrophobicContact CD2-CG 4.19Å; Y193-F219 AromaticContact CE1-CD1 3.69Å; Y193-F219 HydrophobicContact CE1-CD1 3.69Å; Y193-F219 HydrophobicContact CE1-CE1 4.02Å; Y193-F219 HydrophobicContact CE1-CG 4.06Å; Y193-F219 HydrophobicContact CE2-CB 3.82Å; Y193-F219 AromaticContact CE2-CD1 3.98Å; Y193-F219 HydrophobicContact CE2-CD1 3.98Å; Y193-F219 HydrophobicContact CE2-CG 4.15Å; Y193-F219 HydrophobicContact CG-CB 4.01Å; Y193-F219 HydrophobicContact CG-CG 4.18Å; Y193-F219 AromaticContact CZ-CD1 3.57Å; Y193-N223 HydrophobicContact CD2-CB 4.27Å; Y193-N223 PolarHBondContact N-O 3.44Å; Y193-C224 CarbonylContact O-C 3.54Å; Y193-C224 VanDerWaalsContact O-CA 3.31Å; Y193-C224 WeakPolarHBondContact O-CA 3.11Å; Y193-H225 PolarHBondContact O-N 3.38Å |
| 194 | V | 96.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.8 | -177.7 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | F39 I149 F150 V151 L152 F163 F192 H225 L227 F385 | F39-V194 HydrophobicContact CZ-CG1 4.43Å; I149-V194 HydrophobicContact CG2-CB 4.37Å; I149-V194 HydrophobicContact CG2-CG2 3.55Å; F150-V194 PolarHBondContact O-N 2.91Å; V151-V194 WeakPolarHBondContact CA-O 2.99Å; V151-V194 HydrophobicContact CG1-CB 4.19Å; V151-V194 HydrophobicContact CG1-CG1 4.19Å; L152-V194 PolarHBondContact N-O 2.91Å; F163-V194 WeakPolarHBondContact CZ-O 3.32Å; F192-V194 HydrophobicContact CD1-CG2 4.07Å; F192-V194 HydrophobicContact CE1-CG2 4.16Å; V194-H225 WeakPolarHBondContact CA-O 3.27Å; V194-L227 HydrophobicContact CG1-CB 4.09Å; V194-F385 HydrophobicContact CG2-CD2 4.38Å; V194-F385 HydrophobicContact CG2-CE2 3.42Å; V194-F385 VanDerWaalsContact CG2-CE2 3.42Å; V194-F385 HydrophobicContact CG2-CZ 3.59Å |
| 195 | L | 95.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.9 | 168.8 | -171.3 | 63.4 | 0 | 0 | 0 | 107.9 | T154 P159 F163 I211 F212 H225 L226 L227 | T154-L195 HydrophobicContact CG2-CD1 4.23Å; T154-L195 HydrophobicContact CG2-CD2 4.03Å; T154-L195 HydrophobicContact CG2-CG 3.85Å; P159-L195 HydrophobicContact CB-CD1 4.49Å; F163-L195 HydrophobicContact CE2-CD1 4.45Å; L195-I211 HydrophobicContact CD2-CG2 3.79Å; L195-F212 HydrophobicContact CD2-CB 4.01Å; L195-F212 HydrophobicContact CD2-CD2 4.4Å; L195-H225 PolarHBondContact N-O 2.95Å; L195-L226 HydrophobicContact CB-CD1 4.25Å; L195-L226 HydrophobicContact CD2-CD1 4.23Å; L195-L226 HydrophobicContact CG-CD1 4.23Å; L195-L226 WeakPolarHBondContact O-CA 3.27Å; L195-L227 PolarHBondContact O-N 3.18Å |
| 196 | L | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.1 | -179.6 | -170.2 | 65.6 | 0 | 0 | 0 | 109.8 | V28 L31 F39 V151 L152 T153 T154 L227 I229 | V28-L196 HydrophobicContact CB-CD2 4.45Å; V28-L196 HydrophobicContact CG1-CD2 3.68Å; V28-L196 HydrophobicContact CG2-CB 4.48Å; V28-L196 HydrophobicContact CG2-CD2 4.31Å; L31-L196 HydrophobicContact CD1-CD2 4.26Å; L31-L196 HydrophobicContact CD1-CG 4.43Å; L31-L196 HydrophobicContact CD2-CD2 3.94Å; F39-L196 HydrophobicContact CD2-CD2 4.25Å; F39-L196 HydrophobicContact CE2-CD1 4.27Å; F39-L196 HydrophobicContact CE2-CD2 4.3Å; V151-L196 HydrophobicContact CG1-CB 4.44Å; L152-L196 PolarHBondContact O-N 2.86Å; T153-L196 CarbonylContact C-O 3.48Å; T153-L196 WeakPolarHBondContact CA-O 3.16Å; T154-L196 PolarHBondContact N-O 2.84Å; L196-L227 CarbonylContact C-O 3.57Å; L196-L227 WeakPolarHBondContact CA-O 3.49Å; L196-L227 HydrophobicContact CD1-CB 4.05Å; L196-L227 HydrophobicContact CD1-CD2 3.91Å; L196-L227 HydrophobicContact CD1-CG 3.83Å; L196-I229 HydrophobicContact CD1-CD1 3.99Å; L196-I229 HydrophobicContact CD1-CG1 3.99Å; L196-I229 HydrophobicContact CD2-CD1 4.36Å; L196-I229 HydrophobicContact CG-CD1 4.48Å |
| 197 | H | 93.5 | Very high | 88.6 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.032 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.7 | -179.8 | -176.8 | 46.7 | 0 | 0 | 0 | 110.9 | T154 G199 S201 V208 L226 L227 T228 I229 | T154-H197 HydrophobicContact CG2-CB 3.68Å; T154-H197 PolarHBondContact OG1-ND1 2.89Å; H197-G199 PolarHBondContact O-N 2.79Å; H197-S201 PolarHBondContact CE1-OG 3.27Å; H197-S201 VanDerWaalsContact CE1-OG 3.29Å; H197-V208 HydrophobicContact CB-CG1 4.39Å; H197-V208 VanDerWaalsContact CE1-CG2 3.46Å; H197-V208 WeakPolarHBondContact CE1-CG2 3.42Å; H197-L226 HydrophobicContact CB-CD1 4.11Å; H197-L227 PolarHBondContact N-O 3.36Å; H197-T228 HydrophobicContact CB-CG2 4.44Å; H197-T228 WeakPolarHBondContact O-CA 3.22Å; H197-I229 PolarHBondContact O-N 3.41Å |
| 198 | D | 90 | Very high | 89.1 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.064 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 103.1 | 165.7 | -177.9 | 3.8 | 0 | 0 | 0 | 108.9 | L31 R34 S200 S201 I229 T231 | L31-D198 HydrophobicContact CD1-CB 4Å; R34-D198 IonicContact CZ-OD2 2.62Å; R34-D198 IonicContact NH1-OD2 2.71Å; R34-D198 PolarHBondContact NH1-OD2 2.96Å; D198-S200 PolarHBondContact O-N 3.19Å; D198-S200 VanDerWaalsContact O-N 3.14Å; D198-S200 WeakPolarHBondContact OD1-CB 3.42Å; D198-S200 PolarHBondContact OD1-N 3.23Å; D198-S200 PolarHBondContact OD1-OG 3.24Å; D198-S201 VanDerWaalsContact O-CB 3.23Å; D198-S201 WeakPolarHBondContact O-CB 3.27Å; D198-S201 PolarHBondContact O-N 3.14Å; D198-S201 PolarHBondContact O-OG 2.78Å; D198-I229 CarbonylContact C-O 3.57Å; D198-I229 WeakPolarHBondContact CA-O 3.37Å; D198-T231 PolarHBondContact OD1-OG1 3.35Å; D198-T231 PolarHBondContact OD2-OG1 2.9Å; D198-T231 VanDerWaalsContact OD2-OG1 3.14Å |
| 199 | G | 85.2 | Confident | 89.5 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -10.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H197 I229 F230 | H197-G199 PolarHBondContact O-N 2.79Å; G199-I229 PolarHBondContact N-O 2.71Å; G199-F230 WeakPolarHBondContact O-CE1 3.5Å |
| 200 | S | 80.8 | Confident | 89.6 | Confident | 37 Ų | 37 | 47.5 Ų | 47.5 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 4.6 | 169.9 | 67.9 | 0 | 0 | 0 | 0 | 114.1 | D198 S232 | D198-S200 PolarHBondContact O-N 3.19Å; D198-S200 VanDerWaalsContact O-N 3.14Å; D198-S200 WeakPolarHBondContact OD1-CB 3.42Å; D198-S200 PolarHBondContact OD1-N 3.23Å; D198-S200 PolarHBondContact OD1-OG 3.24Å; S200-S232 WeakPolarHBondContact CB-OG 3.5Å; S200-S232 PolarHBondContact OG-OG 3.02Å |
| 201 | S | 82.6 | Confident | 89.5 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -79.3 | 152 | 173.5 | 71.7 | 0 | 0 | 0 | 0 | 112.7 | H197 D198 I203 | H197-S201 PolarHBondContact CE1-OG 3.27Å; H197-S201 VanDerWaalsContact CE1-OG 3.29Å; D198-S201 VanDerWaalsContact O-CB 3.23Å; D198-S201 WeakPolarHBondContact O-CB 3.27Å; D198-S201 PolarHBondContact O-N 3.14Å; D198-S201 PolarHBondContact O-OG 2.78Å; S201-I203 PolarHBondContact O-N 3.38Å |
| 202 | N | 78.7 | Confident | 89.5 | Confident | 171 Ų | 171 | 46.8 Ų | 46.8 | 91% | 0.914 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -74.8 | 14.5 | 178.3 | -66.6 | -29.9 | 0 | 0 | 0 | 114.1 | ||
| 203 | I | 82.4 | Confident | 89.4 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | trans | -80.5 | 124.4 | -178.9 | -54.9 | 175.4 | 0 | 0 | 0 | 108.6 | S201 Q205 C207 V208 | S201-I203 PolarHBondContact O-N 3.38Å; I203-Q205 PolarHBondContact O-N 2.76Å; I203-C207 HydrophobicContact CG2-CB 4.16Å; I203-V208 HydrophobicContact CB-CG2 4.49Å; I203-V208 HydrophobicContact CG2-CG2 3.82Å | ||
| 204 | K | 83.5 | Confident | 89.2 | Confident | 164 Ų | 164 | 53.9 Ų | 53.9 | 71% | 0.713 | 29% | 0.289 | S | S | * | . | trans | -63.5 | 132.8 | 176.8 | -64.5 | 178.7 | -179 | 176.7 | 0 | 110.2 | S206 C207 V208 | K204-S206 PolarHBondContact O-N 3.23Å; K204-C207 VanDerWaalsContact O-CB 3.31Å; K204-C207 WeakPolarHBondContact O-CB 3.39Å; K204-C207 PolarHBondContact O-N 3.29Å; K204-V208 PolarHBondContact O-N 3.02Å | ||
| 205 | Q | 86.4 | Confident | 89.1 | Confident | 90 Ų | 90 | 53.9 Ų | 53.9 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -49.3 | -37.5 | 178.4 | -176.6 | 62.1 | 46.7 | 0 | 0 | 113.2 | I203 C207 V208 D209 | I203-Q205 PolarHBondContact O-N 2.76Å; Q205-C207 PolarHBondContact O-N 2.89Å; Q205-V208 WeakPolarHBondContact O-CA 3.37Å; Q205-V208 WeakPolarHBondContact O-CB 3.37Å; Q205-V208 PolarHBondContact O-N 3.24Å; Q205-D209 PolarHBondContact NE2-OD1 2.82Å; Q205-D209 VanDerWaalsContact O-CG 3.3Å; Q205-D209 PolarHBondContact O-N 2.72Å |
| 206 | S | 86.5 | Confident | 89 | Confident | 82 Ų | 82 | 56.6 Ų | 56.6 | 57% | 0.573 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.4 | -31.7 | 177 | 61.3 | 0 | 0 | 0 | 0 | 114 | K204 E210 | K204-S206 PolarHBondContact O-N 3.23Å; S206-E210 WeakPolarHBondContact O-CB 3.35Å; S206-E210 PolarHBondContact O-N 2.69Å; S206-E210 VanDerWaalsContact O-N 3.09Å |
| 207 | C | 89.3 | Confident | 89 | Confident | 51 Ų | 51 | 62.2 Ų | 62.2 | 35% | 0.345 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -75.8 | -38.2 | 175 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | I203 K204 Q205 D209 E210 I211 | I203-C207 HydrophobicContact CG2-CB 4.16Å; K204-C207 VanDerWaalsContact O-CB 3.31Å; K204-C207 WeakPolarHBondContact O-CB 3.39Å; K204-C207 PolarHBondContact O-N 3.29Å; Q205-C207 PolarHBondContact O-N 2.89Å; C207-D209 VanDerWaalsContact C-N 3.34Å; C207-E210 PolarHBondContact O-N 2.98Å; C207-I211 VanDerWaalsContact O-CG1 3.29Å; C207-I211 WeakPolarHBondContact O-CG1 3.48Å; C207-I211 PolarHBondContact O-N 2.91Å |
| 208 | V | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 172.7 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | T154 H197 I203 K204 Q205 I211 F212 L226 | T154-V208 HydrophobicContact CG2-CG1 3.91Å; T154-V208 HydrophobicContact CG2-CG2 4.41Å; H197-V208 HydrophobicContact CB-CG1 4.39Å; H197-V208 VanDerWaalsContact CE1-CG2 3.46Å; H197-V208 WeakPolarHBondContact CE1-CG2 3.42Å; I203-V208 HydrophobicContact CB-CG2 4.49Å; I203-V208 HydrophobicContact CG2-CG2 3.82Å; K204-V208 PolarHBondContact O-N 3.02Å; Q205-V208 WeakPolarHBondContact O-CA 3.37Å; Q205-V208 WeakPolarHBondContact O-CB 3.37Å; Q205-V208 PolarHBondContact O-N 3.24Å; V208-I211 PolarHBondContact O-N 3.06Å; V208-F212 VanDerWaalsContact O-CB 3.24Å; V208-F212 WeakPolarHBondContact O-CB 3.25Å; V208-F212 PolarHBondContact O-N 3.29Å; V208-L226 HydrophobicContact CG1-CD1 3.79Å; V208-L226 HydrophobicContact CG1-CD2 3.88Å; V208-L226 HydrophobicContact CG1-CG 4.49Å |
| 209 | D | 92 | Very high | 89.2 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 177.4 | -64.9 | -28.8 | 0 | 0 | 0 | 111.7 | Q205 C207 N213 | Q205-D209 PolarHBondContact NE2-OD1 2.82Å; Q205-D209 VanDerWaalsContact O-CG 3.3Å; Q205-D209 PolarHBondContact O-N 2.72Å; C207-D209 VanDerWaalsContact C-N 3.34Å; D209-N213 VanDerWaalsContact O-CB 3.29Å; D209-N213 WeakPolarHBondContact O-CB 3.32Å; D209-N213 PolarHBondContact O-N 3.2Å; D209-N213 PolarHBondContact O-ND2 2.93Å |
| 210 | E | 92.8 | Very high | 89.4 | Confident | 121 Ų | 121 | 66.9 Ų | 66.9 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.5 | -52.2 | 175 | -174.1 | 174.4 | -177.6 | 0 | 0 | 111.7 | S206 C207 F212 N213 Q214 | S206-E210 WeakPolarHBondContact O-CB 3.35Å; S206-E210 PolarHBondContact O-N 2.69Å; S206-E210 VanDerWaalsContact O-N 3.09Å; C207-E210 PolarHBondContact O-N 2.98Å; E210-F212 VanDerWaalsContact C-N 3.32Å; E210-F212 PolarHBondContact O-N 3.09Å; E210-N213 PolarHBondContact O-N 3.02Å; E210-N213 VanDerWaalsContact O-N 3.15Å; E210-Q214 WeakPolarHBondContact O-CG 3.46Å; E210-Q214 PolarHBondContact O-N 2.86Å |
| 211 | I | 91.7 | Very high | 89.8 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 175.4 | -65.7 | 164.8 | 0 | 0 | 0 | 110.2 | P159 L195 C207 V208 N213 Q214 V215 | P159-I211 HydrophobicContact CB-CG2 4.19Å; P159-I211 HydrophobicContact CG-CG2 3.84Å; L195-I211 HydrophobicContact CD2-CG2 3.79Å; C207-I211 VanDerWaalsContact O-CG1 3.29Å; C207-I211 WeakPolarHBondContact O-CG1 3.48Å; C207-I211 PolarHBondContact O-N 2.91Å; V208-I211 PolarHBondContact O-N 3.06Å; I211-N213 VanDerWaalsContact C-N 3.29Å; I211-N213 PolarHBondContact O-N 3.39Å; I211-Q214 WeakPolarHBondContact O-CB 3.3Å; I211-Q214 PolarHBondContact O-N 2.85Å; I211-V215 WeakPolarHBondContact O-CG2 3.34Å; I211-V215 PolarHBondContact O-N 2.8Å |
| 212 | F | 94.7 | Very high | 89.9 | Confident | 22 Ų | 22 | 72 Ų | 72 | 10% | 0.096 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.5 | -32.7 | 179.8 | -175.5 | -142.1 | 0 | 0 | 0 | 112.3 | L195 V208 E210 V215 K216 C224 H225 L226 | L195-F212 HydrophobicContact CD2-CB 4.01Å; L195-F212 HydrophobicContact CD2-CD2 4.4Å; V208-F212 VanDerWaalsContact O-CB 3.24Å; V208-F212 WeakPolarHBondContact O-CB 3.25Å; V208-F212 PolarHBondContact O-N 3.29Å; E210-F212 VanDerWaalsContact C-N 3.32Å; E210-F212 PolarHBondContact O-N 3.09Å; F212-V215 PolarHBondContact O-N 2.91Å; F212-K216 VanDerWaalsContact CD1-NZ 3.32Å; F212-K216 HydrophobicContact CE2-CG 4.31Å; F212-K216 VanDerWaalsContact O-CG 3.28Å; F212-K216 WeakPolarHBondContact O-CG 3.29Å; F212-K216 PolarHBondContact O-N 3.01Å; F212-C224 HydrophobicContact CE2-CB 3.97Å; F212-H225 VanDerWaalsContact CE2-C 3.48Å; F212-L226 HydrophobicContact CB-CD2 4.45Å; F212-L226 HydrophobicContact CD1-CB 3.53Å; F212-L226 HydrophobicContact CD1-CD2 3.75Å; F212-L226 HydrophobicContact CD1-CG 4.22Å; F212-L226 HydrophobicContact CD2-CB 4.02Å; F212-L226 HydrophobicContact CE1-CB 3.38Å; F212-L226 HydrophobicContact CE1-CD2 4.28Å; F212-L226 HydrophobicContact CE1-CG 4.46Å; F212-L226 HydrophobicContact CE2-CB 3.89Å; F212-L226 HydrophobicContact CG-CB 3.87Å; F212-L226 HydrophobicContact CG-CD2 4.25Å; F212-L226 HydrophobicContact CG-CG 4.49Å; F212-L226 HydrophobicContact CZ-CB 3.59Å |
| 213 | N | 94.5 | Very high | 90.5 | Very high | 79 Ų | 79 | 66.5 Ų | 66.5 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.1 | -38.2 | 173.2 | -71.7 | -28.1 | 0 | 0 | 0 | 112.2 | D209 E210 I211 V215 K216 T217 | D209-N213 VanDerWaalsContact O-CB 3.29Å; D209-N213 WeakPolarHBondContact O-CB 3.32Å; D209-N213 PolarHBondContact O-N 3.2Å; D209-N213 PolarHBondContact O-ND2 2.93Å; E210-N213 PolarHBondContact O-N 3.02Å; E210-N213 VanDerWaalsContact O-N 3.15Å; I211-N213 VanDerWaalsContact C-N 3.29Å; I211-N213 PolarHBondContact O-N 3.39Å; N213-V215 VanDerWaalsContact C-N 3.35Å; N213-V215 PolarHBondContact O-N 2.65Å; N213-K216 WeakPolarHBondContact O-CB 3.3Å; N213-K216 PolarHBondContact O-N 3.46Å; N213-K216 PolarHBondContact OD1-NZ 3.4Å; N213-T217 PolarHBondContact O-N 2.85Å; N213-T217 PolarHBondContact O-OG1 2.86Å |
| 214 | Q | 92.9 | Very high | 91.1 | Very high | 88 Ų | 88 | 64.3 Ų | 64.3 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 170.8 | -65.2 | 173.7 | 16.6 | 0 | 0 | 111.4 | I160 E210 I211 K216 T217 T218 | I160-Q214 HydrophobicContact CD1-CB 4.13Å; E210-Q214 WeakPolarHBondContact O-CG 3.46Å; E210-Q214 PolarHBondContact O-N 2.86Å; I211-Q214 WeakPolarHBondContact O-CB 3.3Å; I211-Q214 PolarHBondContact O-N 2.85Å; Q214-K216 PolarHBondContact O-N 2.79Å; Q214-T217 WeakPolarHBondContact CA-OG1 3.25Å; Q214-T217 PolarHBondContact O-N 3.22Å; Q214-T217 PolarHBondContact O-OG1 3.13Å; Q214-T218 PolarHBondContact O-N 3.01Å; Q214-T218 VanDerWaalsContact O-N 3.09Å; Q214-T218 PolarHBondContact O-OG1 2.81Å |
| 215 | V | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 175.1 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | I160 F163 I211 F212 N213 T217 T218 F219 C224 | I160-V215 HydrophobicContact CD1-CB 4.38Å; I160-V215 HydrophobicContact CD1-CG2 3.76Å; F163-V215 HydrophobicContact CD2-CG1 4.13Å; F163-V215 HydrophobicContact CD2-CG2 4.1Å; F163-V215 HydrophobicContact CE2-CG1 3.79Å; F163-V215 HydrophobicContact CE2-CG2 3.81Å; I211-V215 WeakPolarHBondContact O-CG2 3.34Å; I211-V215 PolarHBondContact O-N 2.8Å; F212-V215 PolarHBondContact O-N 2.91Å; N213-V215 VanDerWaalsContact C-N 3.35Å; N213-V215 PolarHBondContact O-N 2.65Å; V215-T217 PolarHBondContact O-N 3.42Å; V215-T218 PolarHBondContact O-N 2.79Å; V215-F219 HydrophobicContact CG1-CD2 4.12Å; V215-F219 WeakPolarHBondContact O-CD2 3.38Å; V215-F219 PolarHBondContact O-N 3.35Å; V215-C224 HydrophobicContact CG1-CB 4.45Å |
| 216 | K | 93.7 | Very high | 92 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 174.6 | -72 | 169.6 | -156.6 | 157.4 | 0 | 113.2 | F212 N213 Q214 G220 A221 C224 | F212-K216 VanDerWaalsContact CD1-NZ 3.32Å; F212-K216 HydrophobicContact CE2-CG 4.31Å; F212-K216 VanDerWaalsContact O-CG 3.28Å; F212-K216 WeakPolarHBondContact O-CG 3.29Å; F212-K216 PolarHBondContact O-N 3.01Å; N213-K216 WeakPolarHBondContact O-CB 3.3Å; N213-K216 PolarHBondContact O-N 3.46Å; N213-K216 PolarHBondContact OD1-NZ 3.4Å; Q214-K216 PolarHBondContact O-N 2.79Å; K216-G220 CarbonylContact O-C 3.4Å; K216-G220 VanDerWaalsContact O-CA 3.22Å; K216-G220 WeakPolarHBondContact O-CA 3.48Å; K216-G220 PolarHBondContact O-N 2.99Å; K216-A221 HydrophobicContact CB-CB 3.96Å; K216-A221 HydrophobicContact CD-CB 4.34Å; K216-A221 HydrophobicContact CG-CB 4.08Å; K216-A221 PolarHBondContact O-N 2.62Å; K216-C224 HydrophobicContact CG-CB 4.15Å |
| 217 | T | 94.2 | Very high | 92.3 | Very high | 118 Ų | 118 | 51.3 Ų | 51.3 | 72% | 0.724 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.8 | -33.5 | 178.8 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | N213 Q214 V215 | N213-T217 PolarHBondContact O-N 2.85Å; N213-T217 PolarHBondContact O-OG1 2.86Å; Q214-T217 WeakPolarHBondContact CA-OG1 3.25Å; Q214-T217 PolarHBondContact O-N 3.22Å; Q214-T217 PolarHBondContact O-OG1 3.13Å; V215-T217 PolarHBondContact O-N 3.42Å |
| 218 | T | 94.1 | Very high | 92.4 | Very high | 77 Ų | 77 | 50.1 Ų | 50.1 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -82.4 | -44.2 | -179.1 | -54.6 | 0 | 0 | 0 | 0 | 113 | I160 Q214 V215 | I160-T218 HydrophobicContact CG2-CG2 4.1Å; Q214-T218 PolarHBondContact O-N 3.01Å; Q214-T218 VanDerWaalsContact O-N 3.09Å; Q214-T218 PolarHBondContact O-OG1 2.81Å; V215-T218 PolarHBondContact O-N 2.79Å |
| 219 | F | 92.7 | Very high | 92.4 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -106.9 | -2 | -171.7 | -57.3 | -75.5 | 0 | 0 | 0 | 114.4 | I160 F163 Y193 V215 N223 | I160-F219 HydrophobicContact CD1-CE2 4.31Å; F163-F219 HydrophobicContact CB-CD2 4.36Å; F163-F219 HydrophobicContact CB-CE1 4.16Å; F163-F219 HydrophobicContact CB-CE2 3.56Å; F163-F219 HydrophobicContact CB-CZ 3.44Å; F163-F219 VanDerWaalsContact CB-CZ 3.44Å; F163-F219 HydrophobicContact CD2-CD2 4.44Å; F163-F219 HydrophobicContact CD2-CE2 4.04Å; F163-F219 HydrophobicContact CG-CE2 4.18Å; F163-F219 HydrophobicContact CG-CZ 4.49Å; Y193-F219 HydrophobicContact CD1-CB 4.43Å; Y193-F219 HydrophobicContact CD1-CD1 4.21Å; Y193-F219 HydrophobicContact CD1-CD2 4.46Å; Y193-F219 HydrophobicContact CD1-CG 4.1Å; Y193-F219 HydrophobicContact CD2-CB 3.67Å; Y193-F219 HydrophobicContact CD2-CD1 4.47Å; Y193-F219 HydrophobicContact CD2-CG 4.19Å; Y193-F219 AromaticContact CE1-CD1 3.69Å; Y193-F219 HydrophobicContact CE1-CD1 3.69Å; Y193-F219 HydrophobicContact CE1-CE1 4.02Å; Y193-F219 HydrophobicContact CE1-CG 4.06Å; Y193-F219 HydrophobicContact CE2-CB 3.82Å; Y193-F219 AromaticContact CE2-CD1 3.98Å; Y193-F219 HydrophobicContact CE2-CD1 3.98Å; Y193-F219 HydrophobicContact CE2-CG 4.15Å; Y193-F219 HydrophobicContact CG-CB 4.01Å; Y193-F219 HydrophobicContact CG-CG 4.18Å; Y193-F219 AromaticContact CZ-CD1 3.57Å; V215-F219 HydrophobicContact CG1-CD2 4.12Å; V215-F219 WeakPolarHBondContact O-CD2 3.38Å; V215-F219 PolarHBondContact O-N 3.35Å; F219-N223 PolarHBondContact O-ND2 3.39Å; F219-N223 VanDerWaalsContact O-ND2 3.1Å |
| 220 | G | 90.4 | Very high | 91.9 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 120.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K216 L222 N223 C224 | K216-G220 CarbonylContact O-C 3.4Å; K216-G220 VanDerWaalsContact O-CA 3.22Å; K216-G220 WeakPolarHBondContact O-CA 3.48Å; K216-G220 PolarHBondContact O-N 2.99Å; G220-L222 PolarHBondContact O-N 3.22Å; G220-N223 PolarHBondContact O-N 3.37Å; G220-C224 PolarHBondContact O-SG 3.28Å; G220-C224 VanDerWaalsContact O-SG 3.32Å |
| 221 | A | 88.1 | Confident | 90.9 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 48% | 0.479 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -14.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | K216 | K216-A221 HydrophobicContact CB-CB 3.96Å; K216-A221 HydrophobicContact CD-CB 4.34Å; K216-A221 HydrophobicContact CG-CB 4.08Å; K216-A221 PolarHBondContact O-N 2.62Å |
| 222 | L | 86.3 | Confident | 89.6 | Confident | 122 Ų | 122 | 44.9 Ų | 44.9 | 64% | 0.639 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -21.2 | 173.6 | -66.2 | 176.3 | 0 | 0 | 0 | 113.2 | G220 | G220-L222 PolarHBondContact O-N 3.22Š|
| 223 | N | 90.8 | Very high | 87.6 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -97 | 3.4 | -178.5 | -53.8 | -35.1 | 0 | 0 | 0 | 112.6 | F192 Y193 F219 G220 | F192-N223 CarbonylContact C-O 3.53Å; F192-N223 WeakPolarHBondContact CA-O 3.22Å; F192-N223 HydrophobicContact CD2-CB 4.45Å; F192-N223 WeakPolarHBondContact CD2-O 3.42Å; F192-N223 WeakPolarHBondContact CG-O 3.45Å; Y193-N223 HydrophobicContact CD2-CB 4.27Å; Y193-N223 PolarHBondContact N-O 3.44Å; F219-N223 PolarHBondContact O-ND2 3.39Å; F219-N223 VanDerWaalsContact O-ND2 3.1Å; G220-N223 PolarHBondContact O-N 3.37Å |
| 224 | C | 94 | Very high | 85.2 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 7% | 0.068 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.4 | -169.8 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | Y193 F212 V215 K216 G220 | Y193-C224 CarbonylContact O-C 3.54Å; Y193-C224 VanDerWaalsContact O-CA 3.31Å; Y193-C224 WeakPolarHBondContact O-CA 3.11Å; F212-C224 HydrophobicContact CE2-CB 3.97Å; V215-C224 HydrophobicContact CG1-CB 4.45Å; K216-C224 HydrophobicContact CG-CB 4.15Å; G220-C224 PolarHBondContact O-SG 3.28Å; G220-C224 VanDerWaalsContact O-SG 3.32Å |
| 225 | H | 94.7 | Very high | 82.7 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.7 | 174.5 | -163.5 | 94.4 | 0 | 0 | 0 | 111.1 | F192 Y193 V194 L195 F212 F385 | F192-H225 HydrophobicContact CE1-CB 3.78Å; F192-H225 HydrophobicContact CZ-CB 4.07Å; Y193-H225 PolarHBondContact O-N 3.38Å; V194-H225 WeakPolarHBondContact CA-O 3.27Å; L195-H225 PolarHBondContact N-O 2.95Å; F212-H225 VanDerWaalsContact CE2-C 3.48Å; H225-F385 HydrophobicContact CB-CD2 4.14Å; H225-F385 HydrophobicContact CB-CE2 4.41Å; H225-F385 AromaticContact CD2-CD2 3.61Å; H225-F385 AromaticContact CG-CD2 3.75Å |
| 226 | L | 94.2 | Very high | 79.9 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 111.3 | 173.1 | 171.8 | 66.1 | 0 | 0 | 0 | 107.5 | L195 H197 V208 F212 | L195-L226 HydrophobicContact CB-CD1 4.25Å; L195-L226 HydrophobicContact CD2-CD1 4.23Å; L195-L226 HydrophobicContact CG-CD1 4.23Å; L195-L226 WeakPolarHBondContact O-CA 3.27Å; H197-L226 HydrophobicContact CB-CD1 4.11Å; V208-L226 HydrophobicContact CG1-CD1 3.79Å; V208-L226 HydrophobicContact CG1-CD2 3.88Å; V208-L226 HydrophobicContact CG1-CG 4.49Å; F212-L226 HydrophobicContact CB-CD2 4.45Å; F212-L226 HydrophobicContact CD1-CB 3.53Å; F212-L226 HydrophobicContact CD1-CD2 3.75Å; F212-L226 HydrophobicContact CD1-CG 4.22Å; F212-L226 HydrophobicContact CD2-CB 4.02Å; F212-L226 HydrophobicContact CE1-CB 3.38Å; F212-L226 HydrophobicContact CE1-CD2 4.28Å; F212-L226 HydrophobicContact CE1-CG 4.46Å; F212-L226 HydrophobicContact CE2-CB 3.89Å; F212-L226 HydrophobicContact CG-CB 3.87Å; F212-L226 HydrophobicContact CG-CD2 4.25Å; F212-L226 HydrophobicContact CG-CG 4.49Å; F212-L226 HydrophobicContact CZ-CB 3.59Å |
| 227 | L | 94.2 | Very high | 77.1 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 114.4 | 179.1 | 178.5 | 56.6 | 0 | 0 | 0 | 108.6 | F39 V194 L195 L196 H197 I229 R381 I382 F385 | F39-L227 HydrophobicContact CE2-CD2 4.19Å; F39-L227 HydrophobicContact CZ-CD2 4.37Å; V194-L227 HydrophobicContact CG1-CB 4.09Å; L195-L227 PolarHBondContact O-N 3.18Å; L196-L227 CarbonylContact C-O 3.57Å; L196-L227 WeakPolarHBondContact CA-O 3.49Å; L196-L227 HydrophobicContact CD1-CB 4.05Å; L196-L227 HydrophobicContact CD1-CD2 3.91Å; L196-L227 HydrophobicContact CD1-CG 3.83Å; H197-L227 PolarHBondContact N-O 3.36Å; L227-I229 HydrophobicContact CD1-CG2 4.44Å; L227-I229 HydrophobicContact CG-CG2 4.36Å; L227-R381 HydrophobicContact CD1-CB 4.08Å; L227-I382 HydrophobicContact CD1-CG1 4.14Å; L227-I382 HydrophobicContact CD2-CG1 4.42Å; L227-F385 HydrophobicContact CD1-CB 4.38Å; L227-F385 HydrophobicContact CD2-CD1 4.21Å; L227-F385 HydrophobicContact CD2-CG 4.5Å |
| 228 | T | 91.7 | Very high | 74.4 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 15% | 0.153 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128.6 | 173.9 | -52.7 | 0 | 0 | 0 | 0 | 110 | H197 F230 R381 | H197-T228 HydrophobicContact CB-CG2 4.44Å; H197-T228 WeakPolarHBondContact O-CA 3.22Å; T228-F230 HydrophobicContact CG2-CE2 4.26Å; T228-R381 WeakPolarHBondContact O-CD 3.48Å; T228-R381 PolarHBondContact O-NE 2.96Å |
| 229 | I | 88.5 | Confident | 71.4 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152.3 | 171.3 | 60.3 | 173.6 | 0 | 0 | 0 | 111.3 | L31 L42 L196 H197 D198 G199 L227 D378 I382 | L31-I229 HydrophobicContact CD2-CD1 3.69Å; L31-I229 HydrophobicContact CD2-CG1 4.13Å; L42-I229 HydrophobicContact CD2-CD1 4.12Å; L196-I229 HydrophobicContact CD1-CD1 3.99Å; L196-I229 HydrophobicContact CD1-CG1 3.99Å; L196-I229 HydrophobicContact CD2-CD1 4.36Å; L196-I229 HydrophobicContact CG-CD1 4.48Å; H197-I229 PolarHBondContact O-N 3.41Å; D198-I229 CarbonylContact C-O 3.57Å; D198-I229 WeakPolarHBondContact CA-O 3.37Å; G199-I229 PolarHBondContact N-O 2.71Å; L227-I229 HydrophobicContact CD1-CG2 4.44Å; L227-I229 HydrophobicContact CG-CG2 4.36Å; I229-D378 VanDerWaalsContact CA-OD1 3.27Å; I229-D378 WeakPolarHBondContact CA-OD1 3.33Å; I229-D378 HydrophobicContact CG2-CB 4.41Å; I229-I382 HydrophobicContact CG2-CD1 4.34Å; I229-I382 HydrophobicContact CG2-CG1 4.33Å |
| 230 | F | 82.1 | Confident | 68.3 | Low | 59 Ų | 59 | 68.1 Ų | 68.1 | 26% | 0.259 | 41% | 0.41 | S | S | . | . | trans | -106.3 | 119.1 | 178.9 | -70.7 | -99.9 | 0 | 0 | 0 | 110.6 | G199 T228 D378 | G199-F230 WeakPolarHBondContact O-CE1 3.5Å; T228-F230 HydrophobicContact CG2-CE2 4.26Å; F230-D378 PolarHBondContact N-OD1 3.05Å | ||
| 231 | T | 72.9 | Confident | 65.4 | Low | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.043 | 44% | 0.435 | C | S | . | . | trans | -101.2 | 11.4 | -174.1 | 67.5 | 0 | 0 | 0 | 0 | 114.7 | L31 R34 D198 | L31-T231 HydrophobicContact CD2-CG2 3.54Å; L31-T231 HydrophobicContact CG-CG2 4.09Å; R34-T231 PolarHBondContact NH1-OG1 3.25Å; D198-T231 PolarHBondContact OD1-OG1 3.35Å; D198-T231 PolarHBondContact OD2-OG1 2.9Å; D198-T231 VanDerWaalsContact OD2-OG1 3.14Å | ||
| 232 | S | 62.8 | Low | 62.6 | Low | 38 Ų | 38 | 79.2 Ų | 79.2 | 27% | 0.266 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -147 | 151.8 | -179.3 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | S200 S234 | S200-S232 WeakPolarHBondContact CB-OG 3.5Å; S200-S232 PolarHBondContact OG-OG 3.02Å; S232-S234 PolarHBondContact O-N 3.39Å; S232-S234 VanDerWaalsContact O-N 3.12Å |
| 233 | S | 53.1 | Low | 59.8 | Low | 102 Ų | 102 | 78.9 Ų | 78.9 | 71% | 0.713 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -68.5 | -5 | -176.8 | 52 | 0 | 0 | 0 | 0 | 115.1 | G235 | S233-G235 PolarHBondContact O-N 2.92Å; S233-G235 VanDerWaalsContact O-N 3.16Å |
| 234 | S | 43.9 | Very low | 56.7 | Low | 94 Ų | 94 | 82 Ų | 82 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -64.9 | -12.6 | -179.6 | -46.7 | 0 | 0 | 0 | 0 | 114.9 | S232 N236 | S232-S234 PolarHBondContact O-N 3.39Å; S232-S234 VanDerWaalsContact O-N 3.12Å; S234-N236 VanDerWaalsContact C-N 3.25Å; S234-N236 PolarHBondContact O-N 2.82Å; S234-N236 VanDerWaalsContact O-N 3.11Å |
| 235 | G | 40.3 | Very low | 53.4 | Low | 32 Ų | 32 | 87.5 Ų | 87.5 | 33% | 0.33 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -68 | -8.1 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | S233 E237 | S233-G235 PolarHBondContact O-N 2.92Å; S233-G235 VanDerWaalsContact O-N 3.16Å; G235-E237 VanDerWaalsContact C-N 3.34Å; G235-E237 PolarHBondContact O-N 2.9Å |
| 236 | N | 34.9 | Very low | 50.2 | Low | 161 Ų | 161 | 92 Ų | 92 | 86% | 0.861 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -74.4 | -12.3 | -170.6 | -101.1 | -6.4 | 0 | 0 | 0 | 115.8 | S234 | S234-N236 VanDerWaalsContact C-N 3.25Å; S234-N236 PolarHBondContact O-N 2.82Å; S234-N236 VanDerWaalsContact O-N 3.11Å |
| 237 | E | 35.8 | Very low | 46.9 | Very low | 182 Ų | 182 | 97.1 Ų | 97.1 | 85% | 0.85 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -94.8 | -7.8 | -176.2 | -63.7 | -162 | 146.5 | 0 | 0 | 115.1 | G235 | G235-E237 VanDerWaalsContact C-N 3.34Å; G235-E237 PolarHBondContact O-N 2.9Å |
| 238 | L | 36.8 | Very low | 43.6 | Very low | 163 Ų | 163 | 106.2 Ų | 106.2 | 85% | 0.853 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -112.9 | 9.6 | -171.4 | -70.3 | 176.8 | 0 | 0 | 0 | 116.1 | ||
| 239 | L | 32.1 | Very low | 40.3 | Very low | 164 Ų | 164 | 111.5 Ų | 111.5 | 86% | 0.859 | 65% | 0.648 | S | S | * | * | trans | -106.4 | 44 | 171.6 | -69.1 | 177.4 | 0 | 0 | 0 | 112.9 | ||||
| 240 | G | 27 | Very low | 37.2 | Very low | 63 Ų | 63 | 118 Ų | 118 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | trans | -71.9 | 144.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 241 | N | 28.7 | Very low | 34.5 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 84% | 0.84 | 72% | 0.715 | S | S | * | * | trans | 65.1 | 79.3 | 172.5 | -54.3 | -28 | 0 | 0 | 0 | 116.8 | ||||
| 242 | N | 29.5 | Very low | 32.1 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | -162.7 | 149.9 | 106.1 | -97.5 | -39.7 | 0 | 0 | 0 | 113.8 | C244 | N242-C244 PolarHBondContact O-N 2.77Š| |||
| 243 | S | 28.4 | Very low | 30.3 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -81.9 | 106.6 | -171.7 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 244 | C | 25.2 | Very low | 29.2 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -145.2 | 108.5 | 156.4 | -92.7 | 0 | 0 | 0 | 0 | 109.3 | N242 P246 | N242-C244 PolarHBondContact O-N 2.77Å; C244-P246 VanDerWaalsContact O-CD 3.27Å; C244-P246 WeakPolarHBondContact O-CD 3.43Å | ||
| 245 | V | 25.7 | Very low | 28.4 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -75.7 | 117.5 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | N247 | V245-N247 PolarHBondContact O-N 2.85Å; V245-N247 VanDerWaalsContact O-N 3.14Å | ||
| 246 | P | 27.4 | Very low | 27.6 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -72.4 | 108.5 | 176 | -14.6 | 31.3 | 0 | 0 | 0 | 109.4 | C244 H248 | C244-P246 VanDerWaalsContact O-CD 3.27Å; C244-P246 WeakPolarHBondContact O-CD 3.43Å; P246-H248 PolarHBondContact O-N 3.05Å | ||
| 247 | N | 25.1 | Very low | 27.1 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -66.5 | 134.3 | -178.9 | -83.3 | -42.7 | 0 | 0 | 0 | 111.7 | V245 L249 | V245-N247 PolarHBondContact O-N 2.85Å; V245-N247 VanDerWaalsContact O-N 3.14Å; N247-L249 PolarHBondContact O-N 2.72Å | ||
| 248 | H | 24 | Very low | 26.5 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | -81.6 | 78.9 | -164 | -159.3 | -80.5 | 0 | 0 | 0 | 113.1 | P246 | P246-H248 PolarHBondContact O-N 3.05Š| ||
| 249 | L | 22 | Very low | 26.1 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | trans | -141.2 | 133.3 | -177.5 | -69 | 176.5 | 0 | 0 | 0 | 109.7 | N247 | N247-L249 PolarHBondContact O-N 2.72Š| ||
| 250 | L | 23.5 | Very low | 25.8 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 73% | 0.728 | 80% | 0.804 | S | S | * | * | S | Bend | cis | -143.1 | 123.2 | -3 | -74.3 | 117.6 | 0 | 0 | 0 | 110.2 | ||
| 251 | F | 25.3 | Very low | 25.6 | Very low | 216 Ų | 216 | 147.6 Ų | 147.6 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | trans | -148.9 | 49.1 | 158.3 | -84.5 | -63 | 0 | 0 | 0 | 112 | N253 | F251-N253 PolarHBondContact O-N 2.75Å; F251-N253 VanDerWaalsContact O-N 3.12Å | ||
| 252 | N | 22.4 | Very low | 25.5 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -71.2 | 103.6 | 169.5 | -81.8 | -4.6 | 0 | 0 | 0 | 110 | ||||
| 253 | N | 24.7 | Very low | 25.4 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -112.3 | 98.7 | 169.1 | -158.3 | -0.1 | 0 | 0 | 0 | 108.8 | F251 Y255 | F251-N253 PolarHBondContact O-N 2.75Å; F251-N253 VanDerWaalsContact O-N 3.12Å; N253-Y255 PolarHBondContact O-N 3Å | ||
| 254 | P | 30.6 | Very low | 26.2 | Very low | 110 Ų | 110 | 148.7 Ų | 148.7 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | trans | -88.1 | 97.4 | -160.4 | 33.2 | -35.3 | 0 | 0 | 0 | 113.2 | ||||
| 255 | Y | 26.6 | Very low | 26.1 | Very low | 211 Ų | 211 | 150.4 Ų | 150.4 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -125 | 125.8 | 160.9 | -76.2 | -79.6 | 0 | 0 | 0 | 110.7 | N253 A257 | N253-Y255 PolarHBondContact O-N 3Å; Y255-A257 PolarHBondContact O-N 3.27Å | ||
| 256 | Q | 23.9 | Very low | 26.1 | Very low | 188 Ų | 188 | 150.9 Ų | 150.9 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -81.2 | 108.7 | -166.2 | -66.9 | 169.1 | -28.2 | 0 | 0 | 111.8 | N258 | Q256-N258 PolarHBondContact O-N 3.36Š| ||
| 257 | A | 25.5 | Very low | 25.8 | Very low | 98 Ų | 98 | 151 Ų | 151 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -96.9 | 77 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y255 G259 | Y255-A257 PolarHBondContact O-N 3.27Å; A257-G259 PolarHBondContact O-N 2.83Å; A257-G259 VanDerWaalsContact O-N 3.1Å | ||
| 258 | N | 23.3 | Very low | 25.9 | Very low | 164 Ų | 164 | 150 Ų | 150 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -74.3 | 94.9 | 168.5 | -80.7 | -14.3 | 0 | 0 | 0 | 109.8 | Q256 | Q256-N258 PolarHBondContact O-N 3.36Š| ||
| 259 | G | 28.2 | Very low | 25.9 | Very low | 67 Ų | 67 | 148.1 Ų | 148.1 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | -139.8 | 121.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A257 | A257-G259 PolarHBondContact O-N 2.83Å; A257-G259 VanDerWaalsContact O-N 3.1Å | ||
| 260 | I | 26 | Very low | 25.9 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -80.4 | 140.7 | -168.9 | -68.2 | 172.3 | 0 | 0 | 0 | 111.7 | S262 | I260-S262 PolarHBondContact O-N 2.76Š| ||
| 261 | I | 22.6 | Very low | 25.9 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 80% | 0.795 | 81% | 0.812 | S | S | * | * | trans | -65.5 | 123.7 | 178.7 | -60.8 | 161.9 | 0 | 0 | 0 | 111 | ||||
| 262 | S | 26.7 | Very low | 25.8 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -114.5 | 135.6 | 157.1 | 54.9 | 0 | 0 | 0 | 0 | 109.7 | I260 | I260-S262 PolarHBondContact O-N 2.76Š| ||
| 263 | R | 26.4 | Very low | 26 | Very low | 239 Ų | 239 | 142 Ų | 142 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -78.1 | 157.1 | -170.3 | -94.4 | 180 | 167.6 | 167.6 | -5.1 | 113.7 | ||||
| 264 | P | 45.2 | Very low | 26 | Very low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -82 | 161.9 | -176.8 | 35.6 | -37.4 | 0 | 0 | 0 | 112.7 | ||||
| 265 | N | 22.4 | Very low | 25.9 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -179.4 | 106.9 | 136.8 | -95.7 | -14.8 | 0 | 0 | 0 | 111.4 | ||||
| 266 | T | 26.6 | Very low | 25.9 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | -177 | 127.1 | 129.8 | 29.9 | 0 | 0 | 0 | 0 | 108.8 | T268 | T266-T268 PolarHBondContact O-N 2.87Š| |||
| 267 | S | 22.1 | Very low | 26.3 | Very low | 124 Ų | 124 | 130 Ų | 130 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | trans | -72 | 119.6 | 170.4 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 268 | T | 25.5 | Very low | 26.6 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | trans | -141.2 | 133.8 | 163.1 | -56.4 | 0 | 0 | 0 | 0 | 107.3 | T266 V270 | T266-T268 PolarHBondContact O-N 2.87Å; T268-V270 PolarHBondContact O-N 2.81Å | ||
| 269 | I | 23.9 | Very low | 27.3 | Very low | 152 Ų | 152 | 122.2 Ų | 122.2 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | trans | -73 | 99.2 | -170.4 | -61.1 | 167.2 | 0 | 0 | 0 | 108.3 | H271 | I269-H271 PolarHBondContact O-N 2.87Š| ||
| 270 | V | 23.8 | Very low | 28 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | trans | -76.7 | 111.4 | 169.7 | 178.8 | 0 | 0 | 0 | 0 | 107 | T268 T272 | T268-V270 PolarHBondContact O-N 2.81Å; V270-T272 PolarHBondContact O-N 3.44Å; V270-T272 VanDerWaalsContact O-N 3.15Å | ||
| 271 | H | 22.6 | Very low | 28.6 | Very low | 169 Ų | 169 | 116.4 Ų | 116.4 | 78% | 0.782 | 65% | 0.646 | S | S | * | * | trans | -58.5 | 117.4 | 167.5 | -76.5 | -96.4 | 0 | 0 | 0 | 108.8 | I269 S273 | I269-H271 PolarHBondContact O-N 2.87Å; H271-S273 PolarHBondContact O-N 3.19Å | ||
| 272 | T | 24.1 | Very low | 29.6 | Very low | 103 Ų | 103 | 111.2 Ų | 111.2 | 63% | 0.632 | 62% | 0.616 | S | S | * | * | trans | -64 | 115.8 | 169.8 | 32.4 | 0 | 0 | 0 | 0 | 108.6 | V270 E274 | V270-T272 PolarHBondContact O-N 3.44Å; V270-T272 VanDerWaalsContact O-N 3.15Å; T272-E274 WeakPolarHBondContact CB-OE1 3.46Å; T272-E274 PolarHBondContact O-N 3.4Å; T272-E274 PolarHBondContact OG1-OE1 2.86Å | ||
| 273 | S | 25.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 105.9 Ų | 105.9 | 87% | 0.874 | 58% | 0.579 | S | S | * | * | trans | -77.5 | 66.6 | 173.6 | 61.5 | 0 | 0 | 0 | 0 | 110 | H271 N275 | H271-S273 PolarHBondContact O-N 3.19Å; S273-N275 PolarHBondContact O-N 3.07Å | ||
| 274 | E | 24.5 | Very low | 31.5 | Very low | 143 Ų | 143 | 96 Ų | 96 | 67% | 0.668 | 54% | 0.543 | S | S | * | . | trans | -62.5 | 117.4 | 169.4 | -72.4 | 148 | -143.3 | 0 | 0 | 108.8 | T272 | T272-E274 WeakPolarHBondContact CB-OE1 3.46Å; T272-E274 PolarHBondContact O-N 3.4Å; T272-E274 PolarHBondContact OG1-OE1 2.86Å | ||
| 275 | N | 29.1 | Very low | 31.4 | Very low | 118 Ų | 118 | 97.9 Ų | 97.9 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | trans | 173.8 | 73.7 | 162 | -96.3 | -58.4 | 0 | 0 | 0 | 110.5 | S273 H297 | S273-N275 PolarHBondContact O-N 3.07Å; N275-H297 PolarHBondContact O-NE2 2.73Å | ||
| 276 | E | 26.7 | Very low | 32.3 | Very low | 100 Ų | 100 | 91.2 Ų | 91.2 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | trans | -122.8 | 119.3 | 158.3 | -85.3 | -159.6 | 165.5 | 0 | 0 | 108.7 | H278 S367 | E276-H278 IonicContact OE2-CE1 2.99Å; E276-S367 VanDerWaalsContact O-CA 3.27Å; E276-S367 WeakPolarHBondContact O-CA 3.47Å; E276-S367 VanDerWaalsContact O-CB 3.29Å; E276-S367 WeakPolarHBondContact O-CB 3.31Å | ||
| 277 | P | 32.5 | Very low | 33 | Very low | 39 Ų | 39 | 84.8 Ų | 84.8 | 25% | 0.253 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -83 | 132.3 | 174.7 | 33.5 | -33.6 | 0 | 0 | 0 | 110.6 | L295 | P277-L295 HydrophobicContact CG-CD1 4.26Å; P277-L295 HydrophobicContact CG-CD2 3.69Å; P277-L295 HydrophobicContact CG-CG 4.41Å |
| 278 | H | 31.9 | Very low | 33.7 | Very low | 72 Ų | 72 | 79.7 Ų | 79.7 | 33% | 0.333 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -99.5 | 147.2 | -177.1 | -62.3 | -27.5 | 0 | 0 | 0 | 112.4 | E276 Y366 | E276-H278 IonicContact OE2-CE1 2.99Å; H278-Y366 WeakPolarHBondContact CB-O 3.39Å; H278-Y366 PolarHBondContact N-O 2.67Å |
| 279 | S | 37.6 | Very low | 34.2 | Very low | 27 Ų | 27 | 81.8 Ų | 81.8 | 19% | 0.189 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 172 | -178 | 53 | 0 | 0 | 0 | 0 | 112.9 | H284 | S279-H284 PolarHBondContact O-CD2 2.93Å; S279-H284 PolarHBondContact O-NE2 3.27Å; S279-H284 PolarHBondContact OG-CE1 3.17Å; S279-H284 PolarHBondContact OG-NE2 2.71Å |
| 280 | D | 42.4 | Very low | 34.8 | Very low | 48 Ų | 48 | 76.6 Ų | 76.6 | 26% | 0.257 | 42% | 0.416 | S | S | . | . | trans | -45.2 | 122.4 | 179.3 | 176 | 4.4 | 0 | 0 | 0 | 112.9 | Y128 W282 L283 H284 | Y128-D280 WeakPolarHBondContact CE1-OD2 3.33Å; Y128-D280 VanDerWaalsContact CZ-OD2 3.27Å; Y128-D280 PolarHBondContact OH-OD2 2.77Å; D280-W282 PolarHBondContact O-N 2.68Å; D280-W282 VanDerWaalsContact O-N 3.12Å; D280-W282 PolarHBondContact OD1-N 3.38Å; D280-L283 HydrophobicContact CB-CB 4.09Å; D280-L283 WeakPolarHBondContact O-CA 3.48Å; D280-L283 WeakPolarHBondContact O-CB 3.44Å; D280-L283 PolarHBondContact O-N 2.99Å; D280-H284 PolarHBondContact O-CD2 2.84Å; D280-H284 PolarHBondContact O-N 2.7Å | ||
| 281 | P | 39.9 | Very low | 35.3 | Very low | 69 Ų | 69 | 72 Ų | 72 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -50.5 | -32.9 | 175.2 | -30.3 | 36.6 | 0 | 0 | 0 | 114.9 | H284 H285 | P281-H284 WeakPolarHBondContact O-CB 3.41Å; P281-H284 PolarHBondContact O-N 2.88Å; P281-H285 PolarHBondContact O-N 3Å; P281-H285 PolarHBondContact O-ND1 3.42Å |
| 282 | W | 43.4 | Very low | 36.1 | Very low | 45 Ų | 45 | 72 Ų | 72 | 17% | 0.17 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -77.6 | -28.5 | 178.3 | -118.9 | 78.6 | 0 | 0 | 0 | 113 | F14 Y128 D280 H284 H285 L286 | F14-W282 HydrophobicContact CD2-CE3 4.09Å; F14-W282 AromaticContact CD2-CH2 3.48Å; F14-W282 HydrophobicContact CD2-CH2 3.48Å; F14-W282 VanDerWaalsContact CD2-CH2 3.48Å; F14-W282 HydrophobicContact CD2-CZ2 4.38Å; F14-W282 AromaticContact CD2-CZ3 3.3Å; F14-W282 HydrophobicContact CD2-CZ3 3.3Å; F14-W282 AromaticContact CE2-CE3 3.74Å; F14-W282 HydrophobicContact CE2-CE3 3.74Å; F14-W282 AromaticContact CE2-CH2 4Å; F14-W282 HydrophobicContact CE2-CH2 4Å; F14-W282 AromaticContact CE2-CZ3 3.43Å; F14-W282 HydrophobicContact CE2-CZ3 3.43Å; F14-W282 VanDerWaalsContact CE2-CZ3 3.43Å; F14-W282 HydrophobicContact CG-CH2 4.2Å; F14-W282 AromaticContact CG-CZ3 3.96Å; F14-W282 HydrophobicContact CG-CZ3 3.96Å; F14-W282 HydrophobicContact CZ-CE3 4.38Å; F14-W282 HydrophobicContact CZ-CZ3 4.19Å; Y128-W282 HydrophobicContact CE2-CB 4.34Å; Y128-W282 HydrophobicContact CE2-CE3 4.01Å; Y128-W282 WeakPolarHBondContact OH-CB 3.41Å; D280-W282 PolarHBondContact O-N 2.68Å; D280-W282 VanDerWaalsContact O-N 3.12Å; D280-W282 PolarHBondContact OD1-N 3.38Å; W282-H284 VanDerWaalsContact C-N 3.3Å; W282-H284 PolarHBondContact O-N 3.07Å; W282-H285 PolarHBondContact O-N 2.89Å; W282-L286 HydrophobicContact CE3-CD1 3.61Å; W282-L286 HydrophobicContact CE3-CD2 4.44Å; W282-L286 HydrophobicContact CE3-CG 3.81Å; W282-L286 HydrophobicContact CZ3-CD1 3.94Å; W282-L286 HydrophobicContact CZ3-CD2 4.03Å; W282-L286 HydrophobicContact CZ3-CG 3.91Å; W282-L286 PolarHBondContact O-N 2.82Å |
| 283 | L | 46.3 | Very low | 36.7 | Very low | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59 | -46.4 | 167.4 | -160.7 | 78.4 | 0 | 0 | 0 | 109.5 | F92 A125 Y128 D280 H285 L286 L287 | F92-L283 HydrophobicContact CD1-CD2 3.72Å; F92-L283 HydrophobicContact CE1-CD2 3.68Å; A125-L283 HydrophobicContact CB-CD1 3.84Å; Y128-L283 HydrophobicContact CD1-CD1 3.67Å; Y128-L283 HydrophobicContact CE1-CD1 4.23Å; D280-L283 HydrophobicContact CB-CB 4.09Å; D280-L283 WeakPolarHBondContact O-CA 3.48Å; D280-L283 WeakPolarHBondContact O-CB 3.44Å; D280-L283 PolarHBondContact O-N 2.99Å; L283-H285 VanDerWaalsContact C-N 3.28Å; L283-H285 PolarHBondContact O-N 2.77Å; L283-L286 PolarHBondContact O-N 3.45Å; L283-L287 HydrophobicContact CD2-CD1 4.09Å; L283-L287 HydrophobicContact CG-CD1 3.8Å; L283-L287 HydrophobicContact CG-CG 4.25Å; L283-L287 WeakPolarHBondContact O-CB 3.43Å; L283-L287 WeakPolarHBondContact O-CD1 3.24Å; L283-L287 WeakPolarHBondContact O-CG 3.1Å; L283-L287 PolarHBondContact O-N 2.68Å |
| 284 | H | 46.5 | Very low | 37.2 | Very low | 32 Ų | 32 | 69 Ų | 69 | 15% | 0.148 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -28.9 | 175.9 | -66.6 | -62.1 | 0 | 0 | 0 | 114.3 | S279 D280 P281 W282 G290 Y291 | S279-H284 PolarHBondContact O-CD2 2.93Å; S279-H284 PolarHBondContact O-NE2 3.27Å; S279-H284 PolarHBondContact OG-CE1 3.17Å; S279-H284 PolarHBondContact OG-NE2 2.71Å; D280-H284 PolarHBondContact O-CD2 2.84Å; D280-H284 PolarHBondContact O-N 2.7Å; P281-H284 WeakPolarHBondContact O-CB 3.41Å; P281-H284 PolarHBondContact O-N 2.88Å; W282-H284 VanDerWaalsContact C-N 3.3Å; W282-H284 PolarHBondContact O-N 3.07Å; H284-G290 WeakPolarHBondContact O-CA 3.47Å; H284-Y291 PolarHBondContact ND1-O 2.78Å |
| 285 | H | 43.2 | Very low | 37.8 | Very low | 147 Ų | 147 | 64.3 Ų | 64.3 | 68% | 0.681 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -79.7 | -30.8 | 175.6 | -76 | 73.8 | 0 | 0 | 0 | 113.2 | P281 W282 L283 | P281-H285 PolarHBondContact O-N 3Å; P281-H285 PolarHBondContact O-ND1 3.42Å; W282-H285 PolarHBondContact O-N 2.89Å; L283-H285 VanDerWaalsContact C-N 3.28Å; L283-H285 PolarHBondContact O-N 2.77Å |
| 286 | L | 40.3 | Very low | 37.9 | Very low | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -79.5 | -38.3 | 177.2 | -78.5 | 165.5 | 0 | 0 | 0 | 112.7 | S5 I6 Y128 W282 L283 | S5-L286 WeakPolarHBondContact CB-O 2.95Å; S5-L286 PolarHBondContact OG-O 2.66Å; I6-L286 HydrophobicContact CD1-CD2 3.52Å; Y128-L286 HydrophobicContact CD1-CD1 4.33Å; Y128-L286 HydrophobicContact CD2-CD1 3.12Å; Y128-L286 HydrophobicContact CE2-CD1 3.7Å; Y128-L286 HydrophobicContact CG-CD1 3.48Å; Y128-L286 VanDerWaalsContact CG-CD1 3.48Å; W282-L286 HydrophobicContact CE3-CD1 3.61Å; W282-L286 HydrophobicContact CE3-CD2 4.44Å; W282-L286 HydrophobicContact CE3-CG 3.81Å; W282-L286 HydrophobicContact CZ3-CD1 3.94Å; W282-L286 HydrophobicContact CZ3-CD2 4.03Å; W282-L286 HydrophobicContact CZ3-CG 3.91Å; W282-L286 PolarHBondContact O-N 2.82Å; L283-L286 PolarHBondContact O-N 3.45Å |
| 287 | L | 41.9 | Very low | 38.2 | Very low | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -62.9 | 126.3 | 175.2 | -68.9 | 165.6 | 0 | 0 | 0 | 109.2 | P121 A125 L283 H289 G290 Y291 P293 | P121-L287 HydrophobicContact CB-CD2 3.58Å; A125-L287 HydrophobicContact CB-CD2 4.4Å; L283-L287 HydrophobicContact CD2-CD1 4.09Å; L283-L287 HydrophobicContact CG-CD1 3.8Å; L283-L287 HydrophobicContact CG-CG 4.25Å; L283-L287 WeakPolarHBondContact O-CB 3.43Å; L283-L287 WeakPolarHBondContact O-CD1 3.24Å; L283-L287 WeakPolarHBondContact O-CG 3.1Å; L283-L287 PolarHBondContact O-N 2.68Å; L287-H289 PolarHBondContact O-N 2.88Å; L287-G290 PolarHBondContact O-N 2.78Å; L287-Y291 HydrophobicContact CD1-CD1 4.26Å; L287-P293 HydrophobicContact CD1-CG 4.21Å |
| 288 | P | 35.8 | Very low | 38.1 | Very low | 17 Ų | 17 | 69 Ų | 69 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -52.2 | 141.2 | -175.2 | -27.6 | 32.5 | 0 | 0 | 0 | 113.2 | S119 E124 G290 Y291 | S119-P288 WeakPolarHBondContact OG-CG 3.36Å; E124-P288 WeakPolarHBondContact OE2-CD 3.46Å; E124-P288 WeakPolarHBondContact OE2-CG 3.43Å; P288-G290 PolarHBondContact O-N 3.23Å; P288-Y291 WeakPolarHBondContact O-CB 3.41Å; P288-Y291 PolarHBondContact O-N 2.99Å |
| 289 | H | 36.5 | Very low | 38.1 | Very low | 166 Ų | 166 | 70.9 Ų | 70.9 | 77% | 0.769 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | 61.7 | 16 | 178.6 | -53.2 | -69.6 | 0 | 0 | 0 | 116.1 | L287 | L287-H289 PolarHBondContact O-N 2.88Š|
| 290 | G | 37 | Very low | 37.5 | Very low | 43 Ų | 43 | 77 Ų | 77 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | 77.9 | 25.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | H284 L287 P288 R292 | H284-G290 WeakPolarHBondContact O-CA 3.47Å; L287-G290 PolarHBondContact O-N 2.78Å; P288-G290 PolarHBondContact O-N 3.23Å; G290-R292 PolarHBondContact O-N 2.79Å |
| 291 | Y | 34.1 | Very low | 36.7 | Very low | 31 Ų | 31 | 80.2 Ų | 80.2 | 12% | 0.122 | 40% | 0.397 | C | S | . | . | trans | -55.9 | 132.9 | -170.9 | 174.4 | -102.6 | 0 | 0 | 0 | 112.1 | D99 H284 L287 P288 P293 | D99-Y291 HydrophobicContact CB-CE1 3.99Å; D99-Y291 HydrophobicContact CB-CE2 3.92Å; D99-Y291 VanDerWaalsContact OD1-CE2 3.27Å; D99-Y291 WeakPolarHBondContact OD1-CE2 3.42Å; H284-Y291 PolarHBondContact ND1-O 2.78Å; L287-Y291 HydrophobicContact CD1-CD1 4.26Å; P288-Y291 WeakPolarHBondContact O-CB 3.41Å; P288-Y291 PolarHBondContact O-N 2.99Å; Y291-P293 HydrophobicContact CD1-CG 4.29Å; Y291-P293 HydrophobicContact CE1-CB 4.16Å; Y291-P293 HydrophobicContact CE1-CG 3.93Å | ||
| 292 | R | 38.9 | Very low | 36.2 | Very low | 169 Ų | 169 | 82.2 Ų | 82.2 | 64% | 0.638 | 41% | 0.41 | S | S | * | . | trans | -105.5 | 115.1 | 173.6 | -63.2 | -176.3 | 178.4 | -164.9 | -2.7 | 108 | G290 Q294 | G290-R292 PolarHBondContact O-N 2.79Å; R292-Q294 PolarHBondContact O-N 2.86Å | ||
| 293 | P | 36.5 | Very low | 35.4 | Very low | 18 Ų | 18 | 91.6 Ų | 91.6 | 12% | 0.117 | 45% | 0.446 | C | S | . | . | trans | -59 | 113.6 | 170.7 | -22.1 | 33.9 | 0 | 0 | 0 | 109.3 | L287 Y291 L295 | L287-P293 HydrophobicContact CD1-CG 4.21Å; Y291-P293 HydrophobicContact CD1-CG 4.29Å; Y291-P293 HydrophobicContact CE1-CB 4.16Å; Y291-P293 HydrophobicContact CE1-CG 3.93Å; P293-L295 PolarHBondContact O-N 2.76Å | ||
| 294 | Q | 35.3 | Very low | 34.6 | Very low | 145 Ų | 145 | 98.7 Ų | 98.7 | 68% | 0.678 | 48% | 0.483 | S | S | * | . | trans | -80.5 | 112.1 | 174.7 | -70.5 | -176.1 | -42.7 | 0 | 0 | 108.6 | R292 D296 | R292-Q294 PolarHBondContact O-N 2.86Å; Q294-D296 PolarHBondContact O-N 2.93Å; Q294-D296 VanDerWaalsContact O-N 3.14Å | ||
| 295 | L | 37.6 | Very low | 33.7 | Very low | 45 Ų | 45 | 103.5 Ų | 103.5 | 24% | 0.236 | 52% | 0.515 | C | S | . | . | trans | -76.8 | 98.1 | 174.9 | -79 | 87.2 | 0 | 0 | 0 | 109.7 | Y91 M95 P277 P293 H297 | Y91-L295 WeakPolarHBondContact OH-CD2 3.34Å; M95-L295 HydrophobicContact SD-CG 4.43Å; P277-L295 HydrophobicContact CG-CD1 4.26Å; P277-L295 HydrophobicContact CG-CD2 3.69Å; P277-L295 HydrophobicContact CG-CG 4.41Å; P293-L295 PolarHBondContact O-N 2.76Å; L295-H297 PolarHBondContact O-N 2.83Å; L295-H297 VanDerWaalsContact O-N 3.07Å | ||
| 296 | D | 31.5 | Very low | 33.1 | Very low | 86 Ų | 86 | 101 Ų | 101 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | trans | -73.2 | 100.6 | 171.9 | -165.1 | -7.7 | 0 | 0 | 0 | 110.3 | Q294 K298 L299 | Q294-D296 PolarHBondContact O-N 2.93Å; Q294-D296 VanDerWaalsContact O-N 3.14Å; D296-K298 PolarHBondContact O-N 2.83Å; D296-K298 WeakPolarHBondContact OD1-CB 3Å; D296-K298 WeakPolarHBondContact OD1-CG 3.46Å; D296-K298 PolarHBondContact OD1-N 3.34Å; D296-K298 IonicContact OD1-NZ 3.64Å; D296-K298 PolarHBondContact OD1-NZ 3.4Å; D296-K298 IonicContact OD2-NZ 3.37Å; D296-K298 PolarHBondContact OD2-NZ 3.39Å; D296-L299 PolarHBondContact O-N 2.8Å | ||
| 297 | H | 32.4 | Very low | 32.4 | Very low | 104 Ų | 104 | 108.5 Ų | 108.5 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -52 | -20.5 | 179.4 | -69.7 | -66.6 | 0 | 0 | 0 | 114.3 | N275 L295 L299 F300 | N275-H297 PolarHBondContact O-NE2 2.73Å; L295-H297 PolarHBondContact O-N 2.83Å; L295-H297 VanDerWaalsContact O-N 3.07Å; H297-L299 PolarHBondContact O-N 3.08Å; H297-F300 PolarHBondContact O-N 2.77Å |
| 298 | K | 31.8 | Very low | 31.6 | Very low | 167 Ų | 167 | 117 Ų | 117 | 73% | 0.726 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -58.1 | -14.6 | 178.7 | -64.5 | 179.8 | -151.9 | 81.3 | 0 | 114.9 | D296 F300 | D296-K298 PolarHBondContact O-N 2.83Å; D296-K298 WeakPolarHBondContact OD1-CB 3Å; D296-K298 WeakPolarHBondContact OD1-CG 3.46Å; D296-K298 PolarHBondContact OD1-N 3.34Å; D296-K298 IonicContact OD1-NZ 3.64Å; D296-K298 PolarHBondContact OD1-NZ 3.4Å; D296-K298 IonicContact OD2-NZ 3.37Å; D296-K298 PolarHBondContact OD2-NZ 3.39Å; K298-F300 PolarHBondContact O-N 3Å |
| 299 | L | 30.5 | Very low | 31.2 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 58% | 0.581 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -76.6 | -6.9 | 173.3 | -78.7 | 168.4 | 0 | 0 | 0 | 114.1 | M95 D296 H297 | M95-L299 HydrophobicContact CE-CD1 4.47Å; D296-L299 PolarHBondContact O-N 2.8Å; H297-L299 PolarHBondContact O-N 3.08Å |
| 300 | F | 26.5 | Very low | 30.4 | Very low | 154 Ų | 154 | 119.1 Ų | 119.1 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -118.9 | 121.8 | 167.4 | -63.2 | -80 | 0 | 0 | 0 | 109.3 | H297 K298 | H297-F300 PolarHBondContact O-N 2.77Å; K298-F300 PolarHBondContact O-N 3Å |
| 301 | P | 25.8 | Very low | 30 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 76% | 0.76 | 64% | 0.641 | S | S | * | * | trans | -66.3 | 133.3 | -178.1 | 26.6 | -33.4 | 0 | 0 | 0 | 110.5 | ||||
| 302 | P | 27.9 | Very low | 29.5 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 72% | 0.721 | 67% | 0.668 | S | S | * | * | trans | -66.8 | 146.5 | -176.7 | 26.5 | -34.3 | 0 | 0 | 0 | 112.3 | D304 | P302-D304 VanDerWaalsContact C-N 3.31Å; P302-D304 PolarHBondContact O-N 2.79Å | ||
| 303 | R | 26.7 | Very low | 29 | Very low | 242 Ų | 242 | 130.5 Ų | 130.5 | 91% | 0.913 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -73.9 | 78.8 | 173.4 | -82.6 | -179.8 | 160.3 | -179.6 | -4.3 | 111.1 | ||
| 304 | D | 29.2 | Very low | 28.4 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | trans | -131.8 | 51.6 | 171.7 | -83.3 | -56.5 | 0 | 0 | 0 | 112.5 | P302 | P302-D304 VanDerWaalsContact C-N 3.31Å; P302-D304 PolarHBondContact O-N 2.79Å | ||
| 305 | T | 28.8 | Very low | 28 | Very low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | trans | -97.9 | 98.4 | 161.8 | 53.5 | 0 | 0 | 0 | 0 | 109.1 | I307 | T305-I307 PolarHBondContact O-N 2.75Š| ||
| 306 | S | 29.4 | Very low | 27.4 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | trans | -49.4 | 129 | 179 | 60 | 0 | 0 | 0 | 0 | 112.2 | K308 | S306-K308 PolarHBondContact O-N 3.12Š| ||
| 307 | I | 25.5 | Very low | 27.2 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -65.4 | 97.1 | 172.7 | -57.7 | 171.2 | 0 | 0 | 0 | 108.1 | T305 | T305-I307 PolarHBondContact O-N 2.75Š| ||
| 308 | K | 26.8 | Very low | 26.8 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 121.3 | 163.7 | -75.8 | -171 | 173.8 | -176.7 | 0 | 107.6 | S306 C310 | S306-K308 PolarHBondContact O-N 3.12Å; K308-C310 PolarHBondContact O-N 2.94Å |
| 309 | S | 26.5 | Very low | 26.6 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 132.7 | 176.5 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 310 | C | 20.5 | Very low | 26.3 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 142.6 | 172.6 | -49.9 | 0 | 0 | 0 | 0 | 110.3 | K308 | K308-C310 PolarHBondContact O-N 2.94Š|
| 311 | D | 27.6 | Very low | 26.3 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -137.4 | 145 | 151.4 | -119.6 | -39.9 | 0 | 0 | 0 | 109.2 | ||||
| 312 | N | 24.1 | Very low | 26.1 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | trans | -92.4 | 138.6 | -159.1 | -59.7 | -77.7 | 0 | 0 | 0 | 112.9 | ||||
| 313 | Q | 28.5 | Very low | 25.9 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -151.5 | 131.2 | 141.4 | -122.3 | 145.3 | 93.5 | 0 | 0 | 111.5 | ||||
| 314 | I | 23.3 | Very low | 25.9 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | -105.3 | 122.7 | -174.9 | -62.6 | 167.4 | 0 | 0 | 0 | 107.6 | N316 | I314-N316 WeakPolarHBondContact CG2-OD1 3.29Š| ||
| 315 | T | 28.1 | Very low | 25.6 | Very low | 140 Ų | 140 | 141 Ų | 141 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -129.7 | 111.5 | 160.4 | 46.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 316 | N | 23.6 | Very low | 25.4 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -73.7 | 141.2 | 176.6 | -55.4 | -33.7 | 0 | 0 | 0 | 108.3 | I314 | I314-N316 WeakPolarHBondContact CG2-OD1 3.29Š| ||
| 317 | D | 27.9 | Very low | 25.1 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -146.8 | 152.5 | 132.8 | -129 | -33.4 | 0 | 0 | 0 | 113 | ||||
| 318 | N | 23.9 | Very low | 25 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 66% | 0.658 | 78% | 0.779 | S | S | * | * | trans | -81 | 148.5 | -158.8 | -55.9 | -92 | 0 | 0 | 0 | 112.2 | ||||
| 319 | N | 27.8 | Very low | 24.8 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | 178.1 | 113.9 | 113.7 | -88.5 | -46.9 | 0 | 0 | 0 | 110.9 | |||||
| 320 | D | 24.8 | Very low | 24.6 | Very low | 123 Ų | 123 | 145 Ų | 145 | 66% | 0.658 | 79% | 0.785 | S | S | * | * | trans | -107.7 | 117.4 | 178.4 | 179.7 | 12.8 | 0 | 0 | 0 | 110.5 | ||||
| 321 | P | 24.9 | Very low | 24.6 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -93.4 | 104.9 | 172.3 | 34.1 | -28.3 | 0 | 0 | 0 | 112 | ||||
| 322 | L | 23.2 | Very low | 24.1 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 81.5 | 69 | 160.5 | -52.6 | 170.5 | 0 | 0 | 0 | 117 | ||||
| 323 | T | 22.8 | Very low | 24 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -55.7 | 136.3 | 144.5 | 42.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 324 | V | 27.6 | Very low | 23.7 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -138.5 | 124.8 | 154 | 179.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 325 | E | 22.1 | Very low | 23.6 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 150.8 | 178.1 | -61.5 | 163.3 | 127.4 | 0 | 0 | 109.2 | ||||
| 326 | D | 24.2 | Very low | 23.2 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | -164.7 | 158.5 | 76.5 | -143.4 | -34.3 | 0 | 0 | 0 | 114.7 | |||||
| 327 | S | 23.8 | Very low | 23.3 | Very low | 97 Ų | 97 | 146.3 Ų | 146.3 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -30.3 | 127.3 | 174 | 52.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 328 | R | 22.2 | Very low | 23 | Very low | 247 Ų | 247 | 142.3 Ų | 142.3 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -143.3 | 110 | 143.6 | -80.2 | -153.8 | 161.7 | 127.8 | 5 | 112.6 | ||||
| 329 | E | 22.6 | Very low | 23 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -73.9 | 174.2 | 164.4 | -66.1 | -173.2 | 119.2 | 0 | 0 | 112.1 | ||||
| 330 | A | 22.3 | Very low | 23 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -36.9 | 134.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 331 | C | 20.7 | Very low | 23.4 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | trans | -135.5 | 105.2 | 148 | -110.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 332 | S | 18.6 | Very low | 23.4 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -79.4 | 155.3 | 169.4 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 333 | Q | 21.8 | Very low | 23.5 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | 73.6 | 117.7 | 157.1 | -66.5 | 173.5 | 2.9 | 0 | 0 | 119.9 | ||||
| 334 | V | 21 | Very low | 23.6 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 75% | 0.745 | 82% | 0.819 | S | S | * | * | trans | 74.6 | 107.8 | 134 | -178.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 335 | F | 21.1 | Very low | 23.5 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | 18.2 | 119.8 | 140.6 | -60.8 | -92.6 | 0 | 0 | 0 | 120.2 | ||||
| 336 | D | 21.4 | Very low | 23.7 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | -148.3 | 166 | 124.7 | -152.7 | -8.6 | 0 | 0 | 0 | 110.9 | |||||
| 337 | V | 24.1 | Very low | 23.7 | Very low | 137 Ų | 137 | 143.3 Ų | 143.3 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -114.5 | 111.3 | -166.2 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 338 | G | 22.6 | Very low | 23.8 | Very low | 69 Ų | 69 | 145.7 Ų | 145.7 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -151 | 79.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 339 | K | 24.1 | Very low | 24 | Very low | 211 Ų | 211 | 138.3 Ų | 138.3 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | 26.2 | 104.2 | 152.1 | -60.8 | 176.4 | -178.1 | 174.5 | 0 | 119.1 | ||||
| 340 | T | 28.2 | Very low | 24.3 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -145.8 | 156 | 144 | 17.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 341 | P | 31.7 | Very low | 24.6 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -86.2 | 154.7 | -161.5 | 33.4 | -36.1 | 0 | 0 | 0 | 115.1 | I343 | P341-I343 PolarHBondContact O-N 3.37Š| ||
| 342 | L | 24.8 | Very low | 24.8 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 93% | 0.927 | 78% | 0.777 | S | S | * | * | trans | -10.5 | 111 | 161.6 | -72.7 | 152 | 0 | 0 | 0 | 116.1 | ||||
| 343 | I | 26.6 | Very low | 25.2 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -105.6 | 123 | 155.2 | -64.1 | 176.4 | 0 | 0 | 0 | 106.9 | P341 T345 | P341-I343 PolarHBondContact O-N 3.37Å; I343-T345 PolarHBondContact O-N 3.3Å; I343-T345 VanDerWaalsContact O-N 3.16Å | ||
| 344 | D | 25 | Very low | 25.6 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -60.7 | 114.8 | 179.4 | -95 | -50.7 | 0 | 0 | 0 | 111.2 | S346 | D344-S346 PolarHBondContact O-N 3.27Š| ||
| 345 | T | 25.2 | Very low | 25.9 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -93.4 | 39.4 | 178.7 | 24.4 | 0 | 0 | 0 | 0 | 112.3 | I343 | I343-T345 PolarHBondContact O-N 3.3Å; I343-T345 VanDerWaalsContact O-N 3.16Å | ||
| 346 | S | 26.3 | Very low | 26.2 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | trans | -82.3 | 147.6 | 156 | 72.2 | 0 | 0 | 0 | 0 | 109.2 | D344 | D344-S346 PolarHBondContact O-N 3.27Š| ||
| 347 | C | 24.5 | Very low | 26.3 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 69.5 | 53.5 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 348 | L | 24.6 | Very low | 26.3 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -103.1 | 114.6 | 148.5 | -79.4 | 174.2 | 0 | 0 | 0 | 110.6 | ||||
| 349 | P | 26.2 | Very low | 26.3 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | trans | -65.5 | 138.3 | 175 | -21.7 | 34.1 | 0 | 0 | 0 | 112.2 | S351 | P349-S351 PolarHBondContact O-N 3.02Š| ||
| 350 | A | 29.6 | Very low | 26.4 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 40.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 351 | S | 28.3 | Very low | 26.6 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 5.7 | -174.8 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | P349 | P349-S351 PolarHBondContact O-N 3.02Š|
| 352 | S | 25.7 | Very low | 26.3 | Very low | 90 Ų | 90 | 126.6 Ų | 126.6 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | -123.7 | 22.7 | -177.8 | 51.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 353 | I | 27.1 | Very low | 26.7 | Very low | 165 Ų | 165 | 122 Ų | 122 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -100.5 | 81.3 | 169.6 | -52.8 | 178.8 | 0 | 0 | 0 | 108.4 | ||||
| 354 | S | 29.5 | Very low | 27.3 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | -141.9 | 38.3 | -171.1 | 63.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 355 | S | 28.2 | Very low | 28.4 | Very low | 103 Ų | 103 | 114.3 Ų | 114.3 | 72% | 0.72 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -166.6 | 27.4 | 170 | 54.8 | 0 | 0 | 0 | 0 | 116.9 | ||
| 356 | Y | 26 | Very low | 29.4 | Very low | 221 Ų | 221 | 111.7 Ų | 111.7 | 87% | 0.867 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -125.2 | 151.5 | 171.5 | -78.7 | -75 | 0 | 0 | 0 | 113.7 | ||
| 357 | S | 24.3 | Very low | 30.3 | Very low | 78 Ų | 78 | 109.5 Ų | 109.5 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | trans | -59.8 | 141.7 | -159 | 45.1 | 0 | 0 | 0 | 0 | 115.3 | Y359 | S357-Y359 WeakPolarHBondContact O-CD2 3.36Å; S357-Y359 PolarHBondContact O-N 3.16Å; S357-Y359 WeakPolarHBondContact OG-CE2 3.18Å | ||
| 358 | S | 23 | Very low | 31.7 | Very low | 113 Ų | 113 | 108.7 Ų | 108.7 | 79% | 0.79 | 62% | 0.619 | S | S | * | * | trans | -70.6 | 84.3 | -179.8 | -50.6 | 0 | 0 | 0 | 0 | 112.7 | T360 | S358-T360 PolarHBondContact O-N 2.92Š| ||
| 359 | Y | 24.5 | Very low | 33.5 | Very low | 168 Ų | 168 | 105.1 Ų | 105.1 | 66% | 0.659 | 60% | 0.604 | S | S | * | * | trans | -71.8 | 104.4 | 163.9 | -67.9 | -80.4 | 0 | 0 | 0 | 109.8 | S357 F361 | S357-Y359 WeakPolarHBondContact O-CD2 3.36Å; S357-Y359 PolarHBondContact O-N 3.16Å; S357-Y359 WeakPolarHBondContact OG-CE2 3.18Å; Y359-F361 VanDerWaalsContact C-N 3.33Å; Y359-F361 HydrophobicContact CD2-CZ 4.49Å; Y359-F361 HydrophobicContact CG-CE2 4.46Å; Y359-F361 HydrophobicContact CG-CZ 4.22Å; Y359-F361 WeakPolarHBondContact O-CD2 3.37Å; Y359-F361 PolarHBondContact O-N 3.49Å | ||
| 360 | T | 25 | Very low | 35.6 | Very low | 128 Ų | 128 | 103.9 Ų | 103.9 | 79% | 0.785 | 59% | 0.59 | S | S | * | * | trans | -69.9 | 92.3 | 162.1 | 46.2 | 0 | 0 | 0 | 0 | 108.2 | S358 L362 | S358-T360 PolarHBondContact O-N 2.92Å; T360-L362 PolarHBondContact O-N 3.15Å | ||
| 361 | F | 31.8 | Very low | 37.8 | Very low | 152 Ų | 152 | 100 Ų | 100 | 67% | 0.667 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -67.9 | 19 | -171.5 | -81.8 | -74.8 | 0 | 0 | 0 | 116.2 | Y359 | Y359-F361 VanDerWaalsContact C-N 3.33Å; Y359-F361 HydrophobicContact CD2-CZ 4.49Å; Y359-F361 HydrophobicContact CG-CE2 4.46Å; Y359-F361 HydrophobicContact CG-CZ 4.22Å; Y359-F361 WeakPolarHBondContact O-CD2 3.37Å; Y359-F361 PolarHBondContact O-N 3.49Å |
| 362 | L | 26.1 | Very low | 40 | Very low | 82 Ų | 82 | 101.5 Ų | 101.5 | 43% | 0.429 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -129.8 | 120.4 | 170.7 | -73.3 | 171.5 | 0 | 0 | 0 | 108.4 | W88 T360 Y366 | W88-L362 HydrophobicContact CH2-CD2 3.4Å; W88-L362 HydrophobicContact CZ2-CD2 3.65Å; W88-L362 HydrophobicContact CZ3-CD2 4.32Å; T360-L362 PolarHBondContact O-N 3.15Å; L362-Y366 HydrophobicContact CD2-CD2 4.18Å; L362-Y366 HydrophobicContact CD2-CE2 4.25Å |
| 363 | P | 33.3 | Very low | 42.5 | Very low | 82 Ų | 82 | 100.3 Ų | 100.3 | 53% | 0.532 | 54% | 0.539 | S | S | . | . | trans | -59.6 | 142.3 | 170.7 | -22.7 | 33.5 | 0 | 0 | 0 | 111.3 | R365 Y366 | P363-R365 HydrophobicContact CB-CG 4.25Å; P363-R365 PolarHBondContact O-N 2.72Å; P363-Y366 PolarHBondContact O-N 3.18Å | ||
| 364 | S | 38.8 | Very low | 45.1 | Very low | 91 Ų | 91 | 93.5 Ų | 93.5 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -54.9 | -26.4 | -179.2 | 52.1 | 0 | 0 | 0 | 0 | 113.8 | Y366 S367 | S364-Y366 PolarHBondContact O-N 3.39Å; S364-S367 PolarHBondContact O-N 2.85Å; S364-S367 PolarHBondContact O-OG 3.4Å |
| 365 | R | 47.6 | Very low | 47.8 | Very low | 40 Ų | 40 | 91.4 Ų | 91.4 | 15% | 0.151 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -45.5 | -33.2 | 178.2 | 85.5 | 174.9 | -76.2 | -125 | -10.6 | 113.7 | N36 E41 P363 S367 E368 | N36-R365 VanDerWaalsContact C-NH2 3.25Å; N36-R365 PolarHBondContact ND2-O 3.22Å; N36-R365 PolarHBondContact O-NH2 2.83Å; N36-R365 WeakPolarHBondContact OD1-CB 3.39Å; N36-R365 PolarHBondContact OD1-NE 3.38Å; N36-R365 PolarHBondContact OD1-NH2 2.96Å; E41-R365 IonicContact OE1-CZ 3.71Å; E41-R365 IonicContact OE1-NH1 2.7Å; E41-R365 PolarHBondContact OE1-NH1 2.79Å; E41-R365 IonicContact OE1-NH2 3Å; E41-R365 IonicContact OE2-CZ 2.73Å; E41-R365 IonicContact OE2-NH1 3.8Å; E41-R365 PolarHBondContact OE2-NH1 3.49Å; E41-R365 IonicContact OE2-NH2 3.46Å; E41-R365 PolarHBondContact OE2-NH2 3.02Å; P363-R365 HydrophobicContact CB-CG 4.25Å; P363-R365 PolarHBondContact O-N 2.72Å; R365-S367 PolarHBondContact O-N 2.9Å; R365-E368 PolarHBondContact O-N 3.2Å; R365-E368 VanDerWaalsContact O-N 3.14Å |
| 366 | Y | 46.7 | Very low | 50.5 | Low | 74 Ų | 74 | 91.2 Ų | 91.2 | 29% | 0.29 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -68.2 | -15.3 | -178.6 | -67.8 | -59.7 | 0 | 0 | 0 | 114.7 | H278 L362 P363 S364 H370 | H278-Y366 WeakPolarHBondContact CB-O 3.39Å; H278-Y366 PolarHBondContact N-O 2.67Å; L362-Y366 HydrophobicContact CD2-CD2 4.18Å; L362-Y366 HydrophobicContact CD2-CE2 4.25Å; P363-Y366 PolarHBondContact O-N 3.18Å; S364-Y366 PolarHBondContact O-N 3.39Å; Y366-H370 AromaticContact CD1-NE2 4Å |
| 367 | S | 45.8 | Very low | 53.5 | Low | 42 Ų | 42 | 82.7 Ų | 82.7 | 29% | 0.294 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -89.8 | -8.7 | 172 | 56.5 | 0 | 0 | 0 | 0 | 114.8 | E276 S364 R365 | E276-S367 VanDerWaalsContact O-CA 3.27Å; E276-S367 WeakPolarHBondContact O-CA 3.47Å; E276-S367 VanDerWaalsContact O-CB 3.29Å; E276-S367 WeakPolarHBondContact O-CB 3.31Å; S364-S367 PolarHBondContact O-N 2.85Å; S364-S367 PolarHBondContact O-OG 3.4Å; R365-S367 PolarHBondContact O-N 2.9Å |
| 368 | E | 54.4 | Low | 56.6 | Low | 105 Ų | 105 | 79 Ų | 79 | 49% | 0.491 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -88.7 | 142 | 178.1 | -73.1 | 166.5 | -145.2 | 0 | 0 | 110.6 | N36 R365 H370 | N36-E368 WeakPolarHBondContact ND2-CB 3.28Å; N36-E368 PolarHBondContact ND2-O 2.91Å; N36-E368 VanDerWaalsContact ND2-O 3.12Å; R365-E368 PolarHBondContact O-N 3.2Å; R365-E368 VanDerWaalsContact O-N 3.14Å; E368-H370 PolarHBondContact O-CE1 3.27Å; E368-H370 PolarHBondContact O-N 3.01Å; E368-H370 PolarHBondContact O-ND1 2.91Å |
| 369 | P | 61.8 | Low | 59.8 | Low | 71 Ų | 71 | 78 Ų | 78 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 123.2 | 177.3 | 25.6 | -34.3 | 0 | 0 | 0 | 111.3 | Q372 | P369-Q372 HydrophobicContact CB-CG 3.88Å; P369-Q372 HydrophobicContact CG-CG 3.91Å |
| 370 | H | 69.1 | Low | 62.9 | Low | 67 Ų | 67 | 74.2 Ų | 74.2 | 31% | 0.31 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 142.2 | -176 | -56.7 | 38.9 | 0 | 0 | 0 | 111.4 | N36 L37 Y366 E368 | N36-H370 PolarHBondContact ND2-CE1 2.58Å; N36-H370 PolarHBondContact ND2-ND1 3.05Å; N36-H370 PolarHBondContact O-CD2 2.9Å; N36-H370 VanDerWaalsContact O-CD2 3.29Å; L37-H370 HydrophobicContact CD2-CB 4.01Å; L37-H370 HydrophobicContact CG-CB 4.43Å; Y366-H370 AromaticContact CD1-NE2 4Å; E368-H370 PolarHBondContact O-CE1 3.27Å; E368-H370 PolarHBondContact O-N 3.01Å; E368-H370 PolarHBondContact O-ND1 2.91Å |
| 371 | G | 76.3 | Confident | 66.1 | Low | 16 Ų | 16 | 72 Ų | 72 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 27.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | D35 H373 L374 | D35-G371 PolarHBondContact O-N 2.91Å; G371-H373 PolarHBondContact O-N 3.47Å; G371-L374 WeakPolarHBondContact O-CB 3.39Å; G371-L374 PolarHBondContact O-N 2.86Å |
| 372 | Q | 75.8 | Confident | 69 | Low | 137 Ų | 137 | 64.8 Ų | 64.8 | 64% | 0.64 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -34.2 | -170.5 | -74.6 | -158 | -50.2 | 0 | 0 | 115.3 | D35 P369 | D35-Q372 PolarHBondContact OD1-N 3.04Å; P369-Q372 HydrophobicContact CB-CG 3.88Å; P369-Q372 HydrophobicContact CG-CG 3.91Å |
| 373 | H | 76.5 | Confident | 72.1 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -11 | -176.8 | -49.6 | 97.5 | 0 | 0 | 0 | 112.9 | D35 G371 T375 | D35-H373 VanDerWaalsContact OD1-CB 3.27Å; D35-H373 WeakPolarHBondContact OD1-CB 3.14Å; D35-H373 IonicContact OD1-CG 3.27Å; D35-H373 PolarHBondContact OD1-N 2.59Å; D35-H373 IonicContact OD1-ND1 3.44Å; D35-H373 PolarHBondContact OD1-ND1 3.04Å; G371-H373 PolarHBondContact O-N 3.47Å; H373-T375 PolarHBondContact O-N 2.75Å |
| 374 | L | 82.4 | Confident | 74.9 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 12% | 0.12 | 33% | 0.33 | C | S | . | . | trans | -61.2 | 108.4 | 178.7 | -61.9 | 176.9 | 0 | 0 | 0 | 110.9 | L37 L42 G371 D378 R379 | L37-L374 HydrophobicContact CD1-CD1 3.86Å; L42-L374 HydrophobicContact CD1-CD1 3.68Å; L42-L374 HydrophobicContact CD1-CD2 4.03Å; G371-L374 WeakPolarHBondContact O-CB 3.39Å; G371-L374 PolarHBondContact O-N 2.86Å; L374-D378 HydrophobicContact CB-CB 4.45Å; L374-D378 HydrophobicContact CD2-CB 4.17Å; L374-R379 PolarHBondContact O-NH1 3.39Å | ||
| 375 | T | 86.3 | Confident | 77.5 | Confident | 61 Ų | 61 | 60 Ų | 60 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | trans | -71.6 | 171.1 | 175.2 | 73.2 | 0 | 0 | 0 | 0 | 110.9 | H373 A377 D378 R379 | H373-T375 PolarHBondContact O-N 2.75Å; T375-A377 PolarHBondContact O-N 3.23Å; T375-A377 PolarHBondContact OG1-N 2.87Å; T375-D378 WeakPolarHBondContact CA-OD2 3.37Å; T375-D378 VanDerWaalsContact CB-OD2 3.25Å; T375-D378 WeakPolarHBondContact CB-OD2 3.31Å; T375-D378 WeakPolarHBondContact CG2-OD2 3.5Å; T375-D378 PolarHBondContact N-OD2 3.2Å; T375-D378 PolarHBondContact O-N 3.1Å; T375-D378 PolarHBondContact OG1-N 2.94Å; T375-D378 VanDerWaalsContact OG1-N 3.17Å; T375-D378 PolarHBondContact OG1-OD2 2.87Å; T375-R379 PolarHBondContact O-N 3.06Å; T375-R379 VanDerWaalsContact O-N 3.17Å | ||
| 376 | Q | 85.7 | Confident | 79.7 | Confident | 100 Ų | 100 | 58.1 Ų | 58.1 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 170.8 | -173.7 | 56.6 | 39.2 | 0 | 0 | 111.6 | D378 R379 D380 | Q376-D378 VanDerWaalsContact C-N 3.27Å; Q376-D378 PolarHBondContact O-N 3.09Å; Q376-R379 PolarHBondContact O-N 2.74Å; Q376-R379 VanDerWaalsContact OE1-CZ 3.31Å; Q376-D380 PolarHBondContact NE2-OD1 3.37Å; Q376-D380 PolarHBondContact O-N 3.21Å |
| 377 | A | 88.1 | Confident | 81.8 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 34% | 0.339 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65 | -30.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T375 R381 | T375-A377 PolarHBondContact O-N 3.23Å; T375-A377 PolarHBondContact OG1-N 2.87Å; A377-R381 WeakPolarHBondContact O-CB 3.43Å; A377-R381 VanDerWaalsContact O-CG 3.3Å; A377-R381 WeakPolarHBondContact O-CG 3.33Å; A377-R381 PolarHBondContact O-N 2.85Å; A377-R381 PolarHBondContact O-NE 2.94Å |
| 378 | D | 90.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69 | -46.3 | 172.5 | -59.7 | -55.5 | 0 | 0 | 0 | 111.2 | I229 F230 L374 T375 Q376 D380 R381 I382 | I229-D378 VanDerWaalsContact CA-OD1 3.27Å; I229-D378 WeakPolarHBondContact CA-OD1 3.33Å; I229-D378 HydrophobicContact CG2-CB 4.41Å; F230-D378 PolarHBondContact N-OD1 3.05Å; L374-D378 HydrophobicContact CB-CB 4.45Å; L374-D378 HydrophobicContact CD2-CB 4.17Å; T375-D378 WeakPolarHBondContact CA-OD2 3.37Å; T375-D378 VanDerWaalsContact CB-OD2 3.25Å; T375-D378 WeakPolarHBondContact CB-OD2 3.31Å; T375-D378 WeakPolarHBondContact CG2-OD2 3.5Å; T375-D378 PolarHBondContact N-OD2 3.2Å; T375-D378 PolarHBondContact O-N 3.1Å; T375-D378 PolarHBondContact OG1-N 2.94Å; T375-D378 VanDerWaalsContact OG1-N 3.17Å; T375-D378 PolarHBondContact OG1-OD2 2.87Å; Q376-D378 VanDerWaalsContact C-N 3.27Å; Q376-D378 PolarHBondContact O-N 3.09Å; D378-D380 VanDerWaalsContact C-N 3.3Å; D378-D380 PolarHBondContact O-N 2.99Å; D378-R381 PolarHBondContact O-N 3.27Å; D378-R381 IonicContact OD1-CZ 2.68Å; D378-R381 IonicContact OD1-NE 2.85Å; D378-R381 IonicContact OD1-NH2 2.69Å; D378-R381 PolarHBondContact OD1-NH2 3.06Å; D378-I382 WeakPolarHBondContact O-CD1 3.4Å; D378-I382 VanDerWaalsContact O-CG1 3.22Å; D378-I382 WeakPolarHBondContact O-CG1 3.07Å; D378-I382 PolarHBondContact O-N 3.3Å |
| 379 | R | 89 | Confident | 85.8 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 174.7 | -66.7 | -171.7 | -76.1 | -82 | -0 | 112 | F46 L374 T375 Q376 I382 H383 | F46-R379 HydrophobicContact CE1-CB 4.15Å; F46-R379 WeakPolarHBondContact CE1-O 3.39Å; F46-R379 HydrophobicContact CZ-CB 3.94Å; F46-R379 HydrophobicContact CZ-CG 4.05Å; L374-R379 PolarHBondContact O-NH1 3.39Å; T375-R379 PolarHBondContact O-N 3.06Å; T375-R379 VanDerWaalsContact O-N 3.17Å; Q376-R379 PolarHBondContact O-N 2.74Å; Q376-R379 VanDerWaalsContact OE1-CZ 3.31Å; R379-I382 PolarHBondContact O-N 2.98Å; R379-H383 VanDerWaalsContact O-CB 3.32Å; R379-H383 WeakPolarHBondContact O-CB 3.49Å; R379-H383 PolarHBondContact O-N 2.85Å |
| 380 | D | 90 | Very high | 87.3 | Confident | 90 Ų | 90 | 48.4 Ų | 48.4 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.2 | -37.9 | 177.5 | -63.3 | -22.6 | 0 | 0 | 0 | 111.6 | Q376 D378 M384 | Q376-D380 PolarHBondContact NE2-OD1 3.37Å; Q376-D380 PolarHBondContact O-N 3.21Å; D378-D380 VanDerWaalsContact C-N 3.3Å; D378-D380 PolarHBondContact O-N 2.99Å; D380-M384 VanDerWaalsContact O-CB 3.31Å; D380-M384 WeakPolarHBondContact O-CB 3.41Å; D380-M384 PolarHBondContact O-N 2.92Å |
| 381 | R | 93.4 | Very high | 88.4 | Confident | 82 Ų | 82 | 47.7 Ų | 47.7 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.3 | -45.4 | 173.1 | -81 | -174.3 | -71.4 | -97.1 | -0.1 | 112.6 | L227 T228 A377 D378 M384 F385 | L227-R381 HydrophobicContact CD1-CB 4.08Å; T228-R381 WeakPolarHBondContact O-CD 3.48Å; T228-R381 PolarHBondContact O-NE 2.96Å; A377-R381 WeakPolarHBondContact O-CB 3.43Å; A377-R381 VanDerWaalsContact O-CG 3.3Å; A377-R381 WeakPolarHBondContact O-CG 3.33Å; A377-R381 PolarHBondContact O-N 2.85Å; A377-R381 PolarHBondContact O-NE 2.94Å; D378-R381 PolarHBondContact O-N 3.27Å; D378-R381 IonicContact OD1-CZ 2.68Å; D378-R381 IonicContact OD1-NE 2.85Å; D378-R381 IonicContact OD1-NH2 2.69Å; D378-R381 PolarHBondContact OD1-NH2 3.06Å; R381-M384 PolarHBondContact O-N 2.83Å; R381-F385 WeakPolarHBondContact O-CB 3.13Å; R381-F385 PolarHBondContact O-N 2.94Å |
| 382 | I | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 179.2 | -59.2 | 155.6 | 0 | 0 | 0 | 110.5 | L42 L43 F46 L227 I229 D378 R379 M384 F385 V386 | L42-I382 HydrophobicContact CD1-CD1 3.69Å; L42-I382 HydrophobicContact CD2-CD1 4.4Å; L42-I382 HydrophobicContact CG-CD1 3.98Å; L43-I382 HydrophobicContact CD2-CG2 3.74Å; F46-I382 HydrophobicContact CD2-CB 4.03Å; F46-I382 HydrophobicContact CD2-CG2 3.32Å; F46-I382 HydrophobicContact CE2-CB 3.9Å; F46-I382 HydrophobicContact CE2-CD1 4.18Å; F46-I382 HydrophobicContact CE2-CG2 3.6Å; F46-I382 HydrophobicContact CG-CG2 3.95Å; F46-I382 HydrophobicContact CZ-CB 4.26Å; F46-I382 HydrophobicContact CZ-CG2 4.41Å; L227-I382 HydrophobicContact CD1-CG1 4.14Å; L227-I382 HydrophobicContact CD2-CG1 4.42Å; I229-I382 HydrophobicContact CG2-CD1 4.34Å; I229-I382 HydrophobicContact CG2-CG1 4.33Å; D378-I382 WeakPolarHBondContact O-CD1 3.4Å; D378-I382 VanDerWaalsContact O-CG1 3.22Å; D378-I382 WeakPolarHBondContact O-CG1 3.07Å; D378-I382 PolarHBondContact O-N 3.3Å; R379-I382 PolarHBondContact O-N 2.98Å; I382-M384 VanDerWaalsContact C-N 3.34Å; I382-M384 PolarHBondContact O-N 2.68Å; I382-F385 WeakPolarHBondContact O-CB 3.49Å; I382-F385 PolarHBondContact O-N 3.47Å; I382-V386 PolarHBondContact O-N 3.13Å |
| 383 | H | 91 | Very high | 89.9 | Confident | 51 Ų | 51 | 46.7 Ų | 46.7 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 172.2 | 178.9 | -77.3 | 0 | 0 | 0 | 111.7 | F46 S50 R379 V386 Y387 | F46-H383 HydrophobicContact CD1-CB 3.68Å; F46-H383 HydrophobicContact CE1-CB 4.13Å; S50-H383 PolarHBondContact OG-CE1 3.12Å; S50-H383 PolarHBondContact OG-NE2 3.45Å; R379-H383 VanDerWaalsContact O-CB 3.32Å; R379-H383 WeakPolarHBondContact O-CB 3.49Å; R379-H383 PolarHBondContact O-N 2.85Å; H383-V386 PolarHBondContact O-N 3.19Å; H383-Y387 WeakPolarHBondContact O-CB 3.36Å; H383-Y387 PolarHBondContact O-N 3.46Å; H383-Y387 VanDerWaalsContact O-N 3.09Å |
| 384 | M | 91 | Very high | 90.7 | Very high | 103 Ų | 103 | 43.6 Ų | 43.6 | 51% | 0.507 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -43 | 177.1 | -167.9 | 66 | 71 | 0 | 0 | 111.4 | D380 R381 I382 Y387 D388 | D380-M384 VanDerWaalsContact O-CB 3.31Å; D380-M384 WeakPolarHBondContact O-CB 3.41Å; D380-M384 PolarHBondContact O-N 2.92Å; R381-M384 PolarHBondContact O-N 2.83Å; I382-M384 VanDerWaalsContact C-N 3.34Å; I382-M384 PolarHBondContact O-N 2.68Å; M384-Y387 PolarHBondContact O-N 3.07Å; M384-D388 WeakPolarHBondContact O-CB 3.26Å; M384-D388 PolarHBondContact O-N 3.44Å |
| 385 | F | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.1 | -51.7 | 175.5 | 159.3 | -115.5 | 0 | 0 | 0 | 112.4 | L43 I149 F192 V194 H225 L227 R381 I382 Y387 D388 F389 | L43-F385 HydrophobicContact CD1-CE1 3.88Å; L43-F385 HydrophobicContact CD2-CD1 3.81Å; L43-F385 HydrophobicContact CD2-CE1 3.59Å; L43-F385 HydrophobicContact CG-CE1 4.4Å; I149-F385 HydrophobicContact CD1-CZ 4.2Å; I149-F385 HydrophobicContact CG2-CZ 4.47Å; F192-F385 HydrophobicContact CD1-CE2 4.48Å; F192-F385 AromaticContact CE1-CE2 3.98Å; F192-F385 HydrophobicContact CE1-CE2 3.98Å; V194-F385 HydrophobicContact CG2-CD2 4.38Å; V194-F385 HydrophobicContact CG2-CE2 3.42Å; V194-F385 VanDerWaalsContact CG2-CE2 3.42Å; V194-F385 HydrophobicContact CG2-CZ 3.59Å; H225-F385 HydrophobicContact CB-CD2 4.14Å; H225-F385 HydrophobicContact CB-CE2 4.41Å; H225-F385 AromaticContact CD2-CD2 3.61Å; H225-F385 AromaticContact CG-CD2 3.75Å; L227-F385 HydrophobicContact CD1-CB 4.38Å; L227-F385 HydrophobicContact CD2-CD1 4.21Å; L227-F385 HydrophobicContact CD2-CG 4.5Å; R381-F385 WeakPolarHBondContact O-CB 3.13Å; R381-F385 PolarHBondContact O-N 2.94Å; I382-F385 WeakPolarHBondContact O-CB 3.49Å; I382-F385 PolarHBondContact O-N 3.47Å; F385-Y387 VanDerWaalsContact C-N 3.31Å; F385-Y387 PolarHBondContact O-N 3.16Å; F385-D388 PolarHBondContact O-N 2.83Å; F385-F389 HydrophobicContact CE2-CB 4.26Å; F385-F389 WeakPolarHBondContact O-CB 3.2Å; F385-F389 PolarHBondContact O-N 2.89Å |
| 386 | V | 93.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | -178.9 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | L43 F46 L49 L70 F72 I382 H383 S390 | L43-V386 HydrophobicContact CD2-CG2 4.21Å; F46-V386 HydrophobicContact CB-CG2 4.15Å; F46-V386 WeakPolarHBondContact O-CG1 3.28Å; L49-V386 HydrophobicContact CD2-CG1 4.08Å; L70-V386 HydrophobicContact CD1-CG1 4.42Å; F72-V386 HydrophobicContact CE2-CG1 4.22Å; F72-V386 HydrophobicContact CE2-CG2 4.26Å; F72-V386 HydrophobicContact CZ-CG1 3.98Å; F72-V386 HydrophobicContact CZ-CG2 4.2Å; I382-V386 PolarHBondContact O-N 3.13Å; H383-V386 PolarHBondContact O-N 3.19Å; V386-S390 WeakPolarHBondContact O-CB 3.11Å; V386-S390 PolarHBondContact O-N 2.98Å; V386-S390 VanDerWaalsContact O-N 3.09Å; V386-S390 PolarHBondContact O-OG 2.89Å |
| 387 | Y | 91.7 | Very high | 92 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -45.8 | 173.3 | -179.1 | -92.9 | 0 | 0 | 0 | 112.4 | L49 K51 V53 H383 M384 F385 S390 V391 | L49-Y387 HydrophobicContact CD2-CD2 4.47Å; K51-Y387 HydrophobicContact CB-CE2 4.12Å; K51-Y387 HydrophobicContact CD-CE2 4.07Å; V53-Y387 HydrophobicContact CG1-CE2 4.32Å; H383-Y387 WeakPolarHBondContact O-CB 3.36Å; H383-Y387 PolarHBondContact O-N 3.46Å; H383-Y387 VanDerWaalsContact O-N 3.09Å; M384-Y387 PolarHBondContact O-N 3.07Å; F385-Y387 VanDerWaalsContact C-N 3.31Å; F385-Y387 PolarHBondContact O-N 3.16Å; Y387-S390 WeakPolarHBondContact O-CB 3.38Å; Y387-S390 PolarHBondContact O-N 3.14Å; Y387-V391 HydrophobicContact CD1-CG2 4.45Å; Y387-V391 HydrophobicContact CD2-CG2 4.3Å; Y387-V391 HydrophobicContact CE1-CG2 4.08Å; Y387-V391 HydrophobicContact CE2-CG2 3.92Å; Y387-V391 WeakPolarHBondContact O-CG2 3.39Å; Y387-V391 PolarHBondContact O-N 2.99Å |
| 388 | D | 89.7 | Confident | 92.2 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 17% | 0.166 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 179.4 | -110 | 23 | 0 | 0 | 0 | 111.9 | M384 F385 S390 V391 R392 | M384-D388 WeakPolarHBondContact O-CB 3.26Å; M384-D388 PolarHBondContact O-N 3.44Å; F385-D388 PolarHBondContact O-N 2.83Å; D388-S390 VanDerWaalsContact C-N 3.29Å; D388-S390 PolarHBondContact O-N 3.37Å; D388-V391 PolarHBondContact O-N 2.89Å; D388-R392 WeakPolarHBondContact O-CA 3.19Å; D388-R392 WeakPolarHBondContact O-CB 3.34Å; D388-R392 WeakPolarHBondContact O-CG 3.24Å; D388-R392 PolarHBondContact O-N 3.07Å; D388-R392 WeakPolarHBondContact OD1-CD 3.4Å; D388-R392 VanDerWaalsContact OD2-CD 3.22Å; D388-R392 WeakPolarHBondContact OD2-CD 3.2Å; D388-R392 IonicContact OD2-CZ 3.67Å; D388-R392 IonicContact OD2-NE 3.16Å; D388-R392 IonicContact OD2-NH1 3.31Å; D388-R392 PolarHBondContact OD2-NH1 3.42Å |
| 389 | F | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.5 | -47.5 | 172.3 | 164.9 | -101.3 | 0 | 0 | 0 | 111 | V20 L70 A147 I149 L190 F192 F385 A393 L394 | V20-F389 HydrophobicContact CG1-CE1 4.24Å; V20-F389 HydrophobicContact CG1-CZ 3.89Å; V20-F389 HydrophobicContact CG2-CE1 4Å; V20-F389 HydrophobicContact CG2-CZ 4.08Å; L70-F389 HydrophobicContact CD1-CD1 4.17Å; L70-F389 HydrophobicContact CD1-CE1 4.01Å; A147-F389 HydrophobicContact CB-CE2 4.37Å; A147-F389 HydrophobicContact CB-CZ 3.92Å; I149-F389 HydrophobicContact CD1-CD1 4.33Å; I149-F389 HydrophobicContact CD1-CD2 4.06Å; I149-F389 HydrophobicContact CD1-CE1 4.2Å; I149-F389 HydrophobicContact CD1-CE2 3.9Å; I149-F389 HydrophobicContact CD1-CG 4.27Å; I149-F389 HydrophobicContact CD1-CZ 3.98Å; I149-F389 HydrophobicContact CG1-CD2 4.33Å; I149-F389 HydrophobicContact CG1-CE2 3.89Å; I149-F389 HydrophobicContact CG1-CZ 4.19Å; L190-F389 HydrophobicContact CD2-CE2 4.19Å; F192-F389 HydrophobicContact CB-CD2 4.05Å; F192-F389 HydrophobicContact CB-CE2 3.93Å; F192-F389 AromaticContact CD1-CD2 3.84Å; F192-F389 HydrophobicContact CD1-CD2 3.84Å; F192-F389 AromaticContact CD2-CD2 3.94Å; F192-F389 HydrophobicContact CD2-CD2 3.94Å; F192-F389 HydrophobicContact CD2-CE2 4.45Å; F192-F389 HydrophobicContact CE1-CB 4.5Å; F192-F389 HydrophobicContact CE1-CD2 4.27Å; F192-F389 HydrophobicContact CE2-CD2 4.35Å; F192-F389 AromaticContact CG-CD2 3.66Å; F192-F389 HydrophobicContact CG-CD2 3.66Å; F192-F389 HydrophobicContact CG-CE2 4.06Å; F385-F389 HydrophobicContact CE2-CB 4.26Å; F385-F389 WeakPolarHBondContact O-CB 3.2Å; F385-F389 PolarHBondContact O-N 2.89Å; F389-A393 WeakPolarHBondContact O-CB 3.49Å; F389-A393 PolarHBondContact O-N 2.91Å; F389-A393 VanDerWaalsContact O-N 3.16Å; F389-L394 HydrophobicContact CE1-CB 4.24Å; F389-L394 HydrophobicContact CE1-CD2 4.12Å; F389-L394 HydrophobicContact CZ-CB 4.3Å; F389-L394 PolarHBondContact O-N 3.11Å |
| 390 | S | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -62.7 | -49.3 | -178.4 | -59.7 | 0 | 0 | 0 | 0 | 112.5 | V386 Y387 D388 L395 | V386-S390 WeakPolarHBondContact O-CB 3.11Å; V386-S390 PolarHBondContact O-N 2.98Å; V386-S390 VanDerWaalsContact O-N 3.09Å; V386-S390 PolarHBondContact O-OG 2.89Å; Y387-S390 WeakPolarHBondContact O-CB 3.38Å; Y387-S390 PolarHBondContact O-N 3.14Å; D388-S390 VanDerWaalsContact C-N 3.29Å; D388-S390 PolarHBondContact O-N 3.37Å; S390-L395 WeakPolarHBondContact O-CG 3.4Å; S390-L395 PolarHBondContact O-N 2.93Å |
| 391 | V | 90.7 | Very high | 92.6 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 31% | 0.309 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -84.3 | -34.8 | -171.9 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | V53 Y387 D388 P396 | V53-V391 HydrophobicContact CG1-CG2 3.85Å; Y387-V391 HydrophobicContact CD1-CG2 4.45Å; Y387-V391 HydrophobicContact CD2-CG2 4.3Å; Y387-V391 HydrophobicContact CE1-CG2 4.08Å; Y387-V391 HydrophobicContact CE2-CG2 3.92Å; Y387-V391 WeakPolarHBondContact O-CG2 3.39Å; Y387-V391 PolarHBondContact O-N 2.99Å; D388-V391 PolarHBondContact O-N 2.89Å; V391-P396 WeakPolarHBondContact O-CD 3.43Å |
| 392 | R | 89.8 | Confident | 92.5 | Very high | 125 Ų | 125 | 34.7 Ų | 34.7 | 47% | 0.472 | 16% | 0.164 | S | C | . | . | I | π-helix | trans | -93.1 | -24.2 | -173.3 | -56.1 | 170.8 | 59.5 | 173.3 | -3.2 | 113.7 | D388 | D388-R392 WeakPolarHBondContact O-CA 3.19Å; D388-R392 WeakPolarHBondContact O-CB 3.34Å; D388-R392 WeakPolarHBondContact O-CG 3.24Å; D388-R392 PolarHBondContact O-N 3.07Å; D388-R392 WeakPolarHBondContact OD1-CD 3.4Å; D388-R392 VanDerWaalsContact OD2-CD 3.22Å; D388-R392 WeakPolarHBondContact OD2-CD 3.2Å; D388-R392 IonicContact OD2-CZ 3.67Å; D388-R392 IonicContact OD2-NE 3.16Å; D388-R392 IonicContact OD2-NH1 3.31Å; D388-R392 PolarHBondContact OD2-NH1 3.42Å |
| 393 | A | 93.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -123.4 | -54.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L190 F192 F389 W397 | L190-A393 HydrophobicContact CD1-CB 4.35Å; L190-A393 HydrophobicContact CD2-CB 3.97Å; F192-A393 HydrophobicContact CD2-CB 3.55Å; F192-A393 HydrophobicContact CE2-CB 3.64Å; F389-A393 WeakPolarHBondContact O-CB 3.49Å; F389-A393 PolarHBondContact O-N 2.91Å; F389-A393 VanDerWaalsContact O-N 3.16Å; A393-W397 WeakPolarHBondContact O-CB 3.11Å; A393-W397 PolarHBondContact O-N 2.92Å; A393-W397 VanDerWaalsContact O-N 3.12Å |
| 394 | L | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -65 | -55.7 | -174.1 | -174.6 | 62.6 | 0 | 0 | 0 | 112.5 | L70 L146 A147 L190 F389 W397 V398 F529 | L70-L394 HydrophobicContact CD1-CD2 4.37Å; L70-L394 HydrophobicContact CD2-CD2 3.68Å; L146-L394 HydrophobicContact CB-CD1 4.24Å; A147-L394 HydrophobicContact CB-CD1 4.41Å; L190-L394 HydrophobicContact CD2-CB 4.26Å; L190-L394 HydrophobicContact CD2-CD1 4.2Å; F389-L394 HydrophobicContact CE1-CB 4.24Å; F389-L394 HydrophobicContact CE1-CD2 4.12Å; F389-L394 HydrophobicContact CZ-CB 4.3Å; F389-L394 PolarHBondContact O-N 3.11Å; L394-W397 PolarHBondContact O-N 3.14Å; L394-V398 HydrophobicContact CD1-CG2 4.25Å; L394-V398 HydrophobicContact CG-CG2 4.37Å; L394-V398 VanDerWaalsContact O-CG2 3.28Å; L394-V398 WeakPolarHBondContact O-CG2 3.49Å; L394-V398 PolarHBondContact O-N 2.85Å; L394-F529 HydrophobicContact CD2-CZ 4.35Å; L394-F529 HydrophobicContact CG-CZ 4.43Å |
| 395 | L | 93.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | -178.9 | -68.7 | 174.3 | 0 | 0 | 0 | 113 | V53 F55 S390 W397 V398 E399 F529 | V53-L395 HydrophobicContact CB-CD1 3.85Å; V53-L395 HydrophobicContact CG2-CD1 3.78Å; F55-L395 HydrophobicContact CB-CD2 4.26Å; S390-L395 WeakPolarHBondContact O-CG 3.4Å; S390-L395 PolarHBondContact O-N 2.93Å; L395-W397 VanDerWaalsContact C-N 3.3Å; L395-W397 PolarHBondContact O-N 3.03Å; L395-V398 PolarHBondContact O-N 3.11Å; L395-V398 VanDerWaalsContact O-N 3.17Å; L395-E399 WeakPolarHBondContact O-CG 3.39Å; L395-E399 PolarHBondContact O-N 3.32Å; L395-F529 HydrophobicContact CD2-CD1 3.67Å; L395-F529 HydrophobicContact CD2-CE1 3.57Å |
| 396 | P | 92.6 | Very high | 92.1 | Very high | 61 Ų | 61 | 36.1 Ų | 36.1 | 40% | 0.396 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.1 | -34.9 | 174.9 | -27.3 | 37.1 | 0 | 0 | 0 | 114.2 | V391 K400 | V391-P396 WeakPolarHBondContact O-CD 3.43Å; P396-K400 PolarHBondContact O-N 3.07Å |
| 397 | W | 93.8 | Very high | 91.8 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 13% | 0.129 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -45.6 | 173.1 | 179.8 | 95.4 | 0 | 0 | 0 | 111.4 | L146 F185 T186 L190 A393 L394 L395 E399 K400 T401 | L146-W397 HydrophobicContact CB-CH2 4.41Å; L146-W397 HydrophobicContact CB-CZ3 3.97Å; L146-W397 WeakPolarHBondContact O-CH2 3.37Å; F185-W397 AromaticContact CD1-CH2 3.95Å; F185-W397 HydrophobicContact CD1-CH2 3.95Å; T186-W397 HydrophobicContact CG2-CZ2 4.4Å; T186-W397 WeakPolarHBondContact OG1-CZ2 3.49Å; L190-W397 HydrophobicContact CB-CB 4.35Å; L190-W397 HydrophobicContact CB-CD2 4Å; L190-W397 HydrophobicContact CB-CG 3.8Å; L190-W397 HydrophobicContact CD1-CB 4.31Å; L190-W397 HydrophobicContact CD1-CG 4.4Å; L190-W397 HydrophobicContact CD2-CB 4.18Å; L190-W397 HydrophobicContact CD2-CG 4.5Å; L190-W397 HydrophobicContact CG-CG 4.46Å; A393-W397 WeakPolarHBondContact O-CB 3.11Å; A393-W397 PolarHBondContact O-N 2.92Å; A393-W397 VanDerWaalsContact O-N 3.12Å; L394-W397 PolarHBondContact O-N 3.14Å; L395-W397 VanDerWaalsContact C-N 3.3Å; L395-W397 PolarHBondContact O-N 3.03Å; W397-E399 PolarHBondContact O-N 2.87Å; W397-K400 WeakPolarHBondContact O-CB 3.23Å; W397-K400 PolarHBondContact O-N 2.57Å; W397-K400 VanDerWaalsContact O-N 3.12Å; W397-T401 HydrophobicContact CH2-CG2 4.23Å; W397-T401 HydrophobicContact CZ3-CG2 4.5Å; W397-T401 WeakPolarHBondContact O-CB 3.3Å; W397-T401 PolarHBondContact O-N 2.76Å; W397-T401 PolarHBondContact O-OG1 3.48Å; W397-T401 VanDerWaalsContact O-OG1 3.12Å |
| 398 | V | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.3 | -47.2 | 176.2 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | L394 L395 K400 T401 M402 L525 F529 | L394-V398 HydrophobicContact CD1-CG2 4.25Å; L394-V398 HydrophobicContact CG-CG2 4.37Å; L394-V398 VanDerWaalsContact O-CG2 3.28Å; L394-V398 WeakPolarHBondContact O-CG2 3.49Å; L394-V398 PolarHBondContact O-N 2.85Å; L395-V398 PolarHBondContact O-N 3.11Å; L395-V398 VanDerWaalsContact O-N 3.17Å; V398-K400 VanDerWaalsContact C-N 3.32Å; V398-K400 PolarHBondContact O-N 3Å; V398-T401 PolarHBondContact O-N 3.25Å; V398-M402 HydrophobicContact CG1-CG 4.33Å; V398-M402 HydrophobicContact CG1-SD 3.95Å; V398-M402 WeakPolarHBondContact O-CB 3.26Å; V398-M402 WeakPolarHBondContact O-CG 3.03Å; V398-M402 PolarHBondContact O-N 2.85Å; V398-L525 HydrophobicContact CG1-CD1 4.12Å; V398-L525 HydrophobicContact CG1-CD2 4.36Å; V398-L525 HydrophobicContact CG1-CG 4.17Å; V398-L525 HydrophobicContact CG2-CD1 4.32Å; V398-F529 HydrophobicContact CB-CE2 4.39Å; V398-F529 HydrophobicContact CG1-CD2 3.74Å; V398-F529 HydrophobicContact CG1-CE2 3.92Å; V398-F529 HydrophobicContact CG1-CG 4.1Å; V398-F529 HydrophobicContact CG1-CZ 4.43Å; V398-F529 HydrophobicContact CG2-CD2 4.26Å; V398-F529 HydrophobicContact CG2-CE1 4.32Å; V398-F529 HydrophobicContact CG2-CE2 3.57Å; V398-F529 HydrophobicContact CG2-CZ 3.61Å |
| 399 | E | 92.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 39 Ų | 39 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.2 | -43.7 | 176.1 | -64.8 | -168.3 | -178.4 | 0 | 0 | 112.2 | F55 R56 L395 W397 R403 | F55-E399 HydrophobicContact CB-CG 4.07Å; F55-E399 HydrophobicContact CD2-CG 4.12Å; R56-E399 WeakPolarHBondContact CB-OE1 3.39Å; R56-E399 PolarHBondContact N-OE1 3.29Å; R56-E399 WeakPolarHBondContact O-CG 3.5Å; L395-E399 WeakPolarHBondContact O-CG 3.39Å; L395-E399 PolarHBondContact O-N 3.32Å; W397-E399 PolarHBondContact O-N 2.87Å; E399-R403 WeakPolarHBondContact O-CB 3.35Å; E399-R403 VanDerWaalsContact O-CG 3.31Å; E399-R403 WeakPolarHBondContact O-CG 3.2Å; E399-R403 PolarHBondContact O-N 3.2Å; E399-R403 PolarHBondContact O-NE 3.24Å; E399-R403 IonicContact OE2-CZ 3.85Å; E399-R403 VanDerWaalsContact OE2-CZ 3.25Å; E399-R403 IonicContact OE2-NH1 2.69Å; E399-R403 PolarHBondContact OE2-NH1 3.47Å; E399-R403 IonicContact OE2-NH2 2.78Å; E399-R403 PolarHBondContact OE2-NH2 3.19Å |
| 400 | K | 92.1 | Very high | 90.6 | Very high | 150 Ų | 150 | 40.7 Ų | 40.7 | 65% | 0.652 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.9 | -41.4 | 178.7 | -174.9 | -175.7 | 176.1 | -173.1 | 0 | 111.4 | P396 W397 V398 R403 S404 | P396-K400 PolarHBondContact O-N 3.07Å; W397-K400 WeakPolarHBondContact O-CB 3.23Å; W397-K400 PolarHBondContact O-N 2.57Å; W397-K400 VanDerWaalsContact O-N 3.12Å; V398-K400 VanDerWaalsContact C-N 3.32Å; V398-K400 PolarHBondContact O-N 3Å; K400-R403 PolarHBondContact O-N 2.73Å; K400-S404 WeakPolarHBondContact O-CB 3.41Å; K400-S404 PolarHBondContact O-N 3.15Å |
| 401 | T | 92.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.2 | -44.4 | 178.8 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | F185 T186 W397 V398 R403 S404 L405 L525 | F185-T401 HydrophobicContact CD1-CG2 4.42Å; F185-T401 HydrophobicContact CE1-CG2 3.84Å; T186-T401 HydrophobicContact CG2-CG2 4.32Å; W397-T401 HydrophobicContact CH2-CG2 4.23Å; W397-T401 HydrophobicContact CZ3-CG2 4.5Å; W397-T401 WeakPolarHBondContact O-CB 3.3Å; W397-T401 PolarHBondContact O-N 2.76Å; W397-T401 PolarHBondContact O-OG1 3.48Å; W397-T401 VanDerWaalsContact O-OG1 3.12Å; V398-T401 PolarHBondContact O-N 3.25Å; T401-R403 VanDerWaalsContact C-N 3.34Å; T401-R403 PolarHBondContact O-N 2.79Å; T401-S404 PolarHBondContact O-N 3.06Å; T401-L405 HydrophobicContact CG2-CD1 4.08Å; T401-L405 WeakPolarHBondContact O-CG 3.15Å; T401-L405 PolarHBondContact O-N 3.15Å; T401-L525 HydrophobicContact CG2-CD2 3.82Å |
| 402 | M | 91.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 173 | -69.9 | -177.2 | 75.5 | 0 | 0 | 112.1 | F55 N58 V398 N406 L522 L525 A526 | F55-M402 HydrophobicContact CE2-SD 3.75Å; F55-M402 HydrophobicContact CZ-SD 4.44Å; N58-M402 PolarHBondContact OD1-O 3.27Å; V398-M402 HydrophobicContact CG1-CG 4.33Å; V398-M402 HydrophobicContact CG1-SD 3.95Å; V398-M402 WeakPolarHBondContact O-CB 3.26Å; V398-M402 WeakPolarHBondContact O-CG 3.03Å; V398-M402 PolarHBondContact O-N 2.85Å; M402-N406 WeakPolarHBondContact O-CB 3.47Å; M402-N406 PolarHBondContact O-N 3.32Å; M402-N406 VanDerWaalsContact O-N 3.1Å; M402-N406 PolarHBondContact O-ND2 3.27Å; M402-L522 HydrophobicContact CB-CD1 4.38Å; M402-L522 HydrophobicContact CE-CD1 4.35Å; M402-L522 HydrophobicContact CG-CD1 4.42Å; M402-L525 HydrophobicContact CG-CD2 3.5Å; M402-L525 HydrophobicContact CG-CG 3.9Å; M402-L525 HydrophobicContact SD-CG 4.32Å; M402-A526 HydrophobicContact CE-CB 3.99Å |
| 403 | R | 90.8 | Very high | 87.3 | Confident | 74 Ų | 74 | 48.4 Ų | 48.4 | 28% | 0.279 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.7 | -49.9 | 174.3 | -77.8 | -175.9 | -72.6 | -107 | 5 | 111.9 | N58 E399 K400 T401 N406 D407 | N58-R403 WeakPolarHBondContact OD1-CA 3.39Å; E399-R403 WeakPolarHBondContact O-CB 3.35Å; E399-R403 VanDerWaalsContact O-CG 3.31Å; E399-R403 WeakPolarHBondContact O-CG 3.2Å; E399-R403 PolarHBondContact O-N 3.2Å; E399-R403 PolarHBondContact O-NE 3.24Å; E399-R403 IonicContact OE2-CZ 3.85Å; E399-R403 VanDerWaalsContact OE2-CZ 3.25Å; E399-R403 IonicContact OE2-NH1 2.69Å; E399-R403 PolarHBondContact OE2-NH1 3.47Å; E399-R403 IonicContact OE2-NH2 2.78Å; E399-R403 PolarHBondContact OE2-NH2 3.19Å; K400-R403 PolarHBondContact O-N 2.73Å; T401-R403 VanDerWaalsContact C-N 3.34Å; T401-R403 PolarHBondContact O-N 2.79Å; R403-N406 PolarHBondContact O-N 2.92Å; R403-D407 PolarHBondContact O-N 3.12Å; R403-D407 VanDerWaalsContact O-N 3.08Å |
| 404 | S | 90.4 | Very high | 85.3 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 179.1 | -170.4 | 0 | 0 | 0 | 0 | 112.9 | K400 T401 N406 D407 Q408 | K400-S404 WeakPolarHBondContact O-CB 3.41Å; K400-S404 PolarHBondContact O-N 3.15Å; T401-S404 PolarHBondContact O-N 3.06Å; S404-N406 PolarHBondContact O-N 3.12Å; S404-D407 PolarHBondContact O-N 3.38Å; S404-Q408 VanDerWaalsContact O-CG 3.26Å; S404-Q408 WeakPolarHBondContact O-CG 3.15Å; S404-Q408 PolarHBondContact O-N 2.88Å; S404-Q408 PolarHBondContact O-NE2 2.97Å; S404-Q408 PolarHBondContact OG-NE2 3.08Å |
| 405 | L | 90.6 | Very high | 82.9 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 178 | -72.4 | 169.2 | 0 | 0 | 0 | 111.4 | F185 T401 D407 Q408 I409 Q518 R521 L522 | F185-L405 HydrophobicContact CE1-CD1 4.4Å; F185-L405 HydrophobicContact CZ-CD1 4.48Å; T401-L405 HydrophobicContact CG2-CD1 4.08Å; T401-L405 WeakPolarHBondContact O-CG 3.15Å; T401-L405 PolarHBondContact O-N 3.15Å; L405-D407 PolarHBondContact O-N 2.85Å; L405-Q408 PolarHBondContact O-N 2.85Å; L405-I409 WeakPolarHBondContact O-CB 3.23Å; L405-I409 VanDerWaalsContact O-CD1 3.27Å; L405-I409 WeakPolarHBondContact O-CD1 3.47Å; L405-I409 WeakPolarHBondContact O-CG1 3.4Å; L405-I409 PolarHBondContact O-N 2.95Å; L405-Q518 HydrophobicContact CD2-CB 4.25Å; L405-R521 HydrophobicContact CD1-CB 4.18Å; L405-L522 HydrophobicContact CB-CB 4.27Å; L405-L522 HydrophobicContact CB-CD1 4.4Å; L405-L522 HydrophobicContact CD1-CB 4.29Å |
| 406 | N | 88.5 | Confident | 80.2 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 177.5 | -89.2 | -62.3 | 0 | 0 | 0 | 113.1 | N58 M402 R403 S404 A410 L522 | N58-N406 VanDerWaalsContact ND2-CB 3.28Å; N58-N406 WeakPolarHBondContact ND2-CB 3.24Å; N58-N406 PolarHBondContact OD1-ND2 2.93Å; M402-N406 WeakPolarHBondContact O-CB 3.47Å; M402-N406 PolarHBondContact O-N 3.32Å; M402-N406 VanDerWaalsContact O-N 3.1Å; M402-N406 PolarHBondContact O-ND2 3.27Å; R403-N406 PolarHBondContact O-N 2.92Å; S404-N406 PolarHBondContact O-N 3.12Å; N406-A410 VanDerWaalsContact O-CB 3.3Å; N406-A410 WeakPolarHBondContact O-CB 3.43Å; N406-A410 PolarHBondContact O-N 3.14Å; N406-L522 WeakPolarHBondContact ND2-CD1 3.41Å; N406-L522 VanDerWaalsContact OD1-CD2 3.28Å; N406-L522 WeakPolarHBondContact OD1-CD2 3.39Å |
| 407 | D | 86.8 | Confident | 77.8 | Confident | 72 Ų | 72 | 72.7 Ų | 72.7 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 179.2 | -80.9 | -48 | 0 | 0 | 0 | 112 | R403 S404 L405 H411 R417 | R403-D407 PolarHBondContact O-N 3.12Å; R403-D407 VanDerWaalsContact O-N 3.08Å; S404-D407 PolarHBondContact O-N 3.38Å; L405-D407 PolarHBondContact O-N 2.85Å; D407-H411 WeakPolarHBondContact O-CB 3.2Å; D407-H411 PolarHBondContact O-N 2.85Å; D407-R417 IonicContact OD1-CZ 2.75Å; D407-R417 IonicContact OD1-NH2 3.69Å; D407-R417 PolarHBondContact OD1-NH2 3.12Å |
| 408 | Q | 86.1 | Confident | 75.3 | Confident | 69 Ų | 69 | 74.4 Ų | 74.4 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 174.6 | -69.3 | 176.1 | 52.8 | 0 | 0 | 112.4 | S404 L405 A410 H411 R412 | S404-Q408 VanDerWaalsContact O-CG 3.26Å; S404-Q408 WeakPolarHBondContact O-CG 3.15Å; S404-Q408 PolarHBondContact O-N 2.88Å; S404-Q408 PolarHBondContact O-NE2 2.97Å; S404-Q408 PolarHBondContact OG-NE2 3.08Å; L405-Q408 PolarHBondContact O-N 2.85Å; Q408-A410 PolarHBondContact O-N 2.89Å; Q408-H411 PolarHBondContact O-N 3.18Å; Q408-R412 WeakPolarHBondContact O-CG 3.43Å; Q408-R412 PolarHBondContact O-N 2.76Å |
| 409 | I | 84.3 | Confident | 73 | Confident | 8 Ų | 8 | 80.2 Ų | 80.2 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 175.7 | -68.5 | 159 | 0 | 0 | 0 | 110.5 | L405 H411 R412 M413 Q518 M519 L522 | L405-I409 WeakPolarHBondContact O-CB 3.23Å; L405-I409 VanDerWaalsContact O-CD1 3.27Å; L405-I409 WeakPolarHBondContact O-CD1 3.47Å; L405-I409 WeakPolarHBondContact O-CG1 3.4Å; L405-I409 PolarHBondContact O-N 2.95Å; I409-H411 VanDerWaalsContact C-N 3.32Å; I409-H411 PolarHBondContact O-N 3.07Å; I409-R412 PolarHBondContact O-N 3.46Å; I409-M413 WeakPolarHBondContact O-CB 3.4Å; I409-M413 PolarHBondContact O-N 2.88Å; I409-Q518 HydrophobicContact CD1-CB 4.37Å; I409-Q518 HydrophobicContact CG1-CB 3.92Å; I409-M519 HydrophobicContact CD1-CB 4.35Å; I409-M519 HydrophobicContact CD1-CG 3.82Å; I409-M519 HydrophobicContact CG1-CG 4Å; I409-M519 HydrophobicContact CG2-CE 3.47Å; I409-M519 VanDerWaalsContact CG2-CE 3.47Å; I409-M519 HydrophobicContact CG2-CG 3.83Å; I409-L522 HydrophobicContact CD1-CB 4.11Å; I409-L522 HydrophobicContact CD1-CD2 3.66Å |
| 410 | A | 79.4 | Confident | 70.9 | Confident | 36 Ų | 36 | 84.3 Ų | 84.3 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N406 Q408 | N406-A410 VanDerWaalsContact O-CB 3.3Å; N406-A410 WeakPolarHBondContact O-CB 3.43Å; N406-A410 PolarHBondContact O-N 3.14Å; Q408-A410 PolarHBondContact O-N 2.89Å |
| 411 | H | 76.7 | Confident | 68.5 | Low | 162 Ų | 162 | 81.2 Ų | 81.2 | 75% | 0.75 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.4 | -46.8 | 175.7 | -173.1 | -87.4 | 0 | 0 | 0 | 112.1 | D407 Q408 I409 | D407-H411 WeakPolarHBondContact O-CB 3.2Å; D407-H411 PolarHBondContact O-N 2.85Å; Q408-H411 PolarHBondContact O-N 3.18Å; I409-H411 VanDerWaalsContact C-N 3.32Å; I409-H411 PolarHBondContact O-N 3.07Å |
| 412 | R | 68 | Low | 65.9 | Low | 109 Ų | 109 | 81.8 Ų | 81.8 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | -178.7 | -70.1 | 178.5 | -170.7 | -93 | 3 | 112.5 | Q408 I409 R414 D513 P515 Q518 | Q408-R412 WeakPolarHBondContact O-CG 3.43Å; Q408-R412 PolarHBondContact O-N 2.76Å; I409-R412 PolarHBondContact O-N 3.46Å; R412-R414 VanDerWaalsContact C-N 3.29Å; R412-R414 PolarHBondContact O-N 3.1Å; R412-D513 PolarHBondContact NE-O 2.76Å; R412-D513 PolarHBondContact NH1-O 3.4Å; R412-D513 VanDerWaalsContact NH1-O 3.12Å; R412-D513 PolarHBondContact NH2-O 2.84Å; R412-D513 IonicContact NH2-OD1 3.16Å; R412-D513 PolarHBondContact NH2-OD1 3.33Å; R412-P515 HydrophobicContact CB-CB 4.19Å; R412-Q518 VanDerWaalsContact NE-OE1 3.13Å |
| 413 | M | 61.1 | Low | 63.4 | Low | 67 Ų | 67 | 85 Ų | 85 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -10.1 | -172.4 | -79.3 | -67.4 | -177.5 | 0 | 0 | 115.3 | I409 L415 P515 M519 | I409-M413 WeakPolarHBondContact O-CB 3.4Å; I409-M413 PolarHBondContact O-N 2.88Å; M413-L415 HydrophobicContact CB-CB 4.34Å; M413-L415 HydrophobicContact CB-CD1 4.23Å; M413-L415 HydrophobicContact CB-CG 4.3Å; M413-L415 PolarHBondContact O-N 2.9Å; M413-P515 HydrophobicContact CE-CB 4.24Å; M413-P515 HydrophobicContact CE-CG 4.49Å; M413-M519 HydrophobicContact CE-CE 3.67Å; M413-M519 HydrophobicContact CE-SD 4.47Å; M413-M519 HydrophobicContact CG-CE 3.92Å; M413-M519 HydrophobicContact SD-CE 4.48Å |
| 414 | R | 51.8 | Low | 61 | Low | 238 Ų | 238 | 89.2 Ų | 89.2 | 90% | 0.898 | 44% | 0.436 | S | S | * | . | trans | 55.2 | -1.2 | -170.3 | -60.5 | -176 | 176.2 | -174.2 | -0.5 | 115.7 | R412 S416 | R412-R414 VanDerWaalsContact C-N 3.29Å; R412-R414 PolarHBondContact O-N 3.1Å; R414-S416 PolarHBondContact O-N 2.75Å | ||
| 415 | L | 44.4 | Very low | 58.6 | Low | 80 Ų | 80 | 94 Ų | 94 | 42% | 0.419 | 45% | 0.45 | S | S | . | . | trans | -69.1 | 109.4 | 174.2 | -71.9 | 171.1 | 0 | 0 | 0 | 109.2 | M413 F419 | M413-L415 HydrophobicContact CB-CB 4.34Å; M413-L415 HydrophobicContact CB-CD1 4.23Å; M413-L415 HydrophobicContact CB-CG 4.3Å; M413-L415 PolarHBondContact O-N 2.9Å; L415-F419 HydrophobicContact CD2-CD2 3.87Å; L415-F419 HydrophobicContact CD2-CE2 4.19Å; L415-F419 HydrophobicContact CD2-CG 4.26Å | ||
| 416 | S | 37 | Very low | 56.2 | Low | 73 Ų | 73 | 101.4 Ų | 101.4 | 51% | 0.51 | 48% | 0.482 | S | S | . | . | trans | -54.2 | 150.5 | 177.3 | 73.7 | 0 | 0 | 0 | 0 | 111.7 | R414 S418 F419 | R414-S416 PolarHBondContact O-N 2.75Å; S416-S418 PolarHBondContact O-N 3.06Å; S416-S418 WeakPolarHBondContact OG-CB 3.31Å; S416-F419 PolarHBondContact O-N 3.48Å | ||
| 417 | R | 41.4 | Very low | 53.8 | Low | 192 Ų | 192 | 106.8 Ų | 106.8 | 73% | 0.725 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -10.4 | 177.9 | -69.9 | 179.3 | 167.7 | 177.9 | -6.5 | 114.7 | D407 | D407-R417 IonicContact OD1-CZ 2.75Å; D407-R417 IonicContact OD1-NH2 3.69Å; D407-R417 PolarHBondContact OD1-NH2 3.12Å |
| 418 | S | 42.2 | Very low | 51.7 | Low | 71 Ų | 71 | 107.9 Ų | 107.9 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -44.9 | 170.1 | -169.2 | 0 | 0 | 0 | 0 | 113.4 | S416 F420 N421 A422 | S416-S418 PolarHBondContact O-N 3.06Å; S416-S418 WeakPolarHBondContact OG-CB 3.31Å; S418-F420 PolarHBondContact O-N 3.18Å; S418-N421 CarbonylContact O-C 3.49Å; S418-N421 WeakPolarHBondContact O-CA 3.34Å; S418-N421 PolarHBondContact O-N 3.02Å; S418-A422 WeakPolarHBondContact O-CB 3.09Å; S418-A422 PolarHBondContact O-N 3.17Å |
| 419 | F | 43.7 | Very low | 49.6 | Very low | 121 Ų | 121 | 111.7 Ų | 111.7 | 53% | 0.531 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | -161.8 | -98 | -78 | 0 | 0 | 0 | 115 | L415 S416 N421 A422 T423 | L415-F419 HydrophobicContact CD2-CD2 3.87Å; L415-F419 HydrophobicContact CD2-CE2 4.19Å; L415-F419 HydrophobicContact CD2-CG 4.26Å; S416-F419 PolarHBondContact O-N 3.48Å; F419-N421 PolarHBondContact O-N 3.28Å; F419-A422 PolarHBondContact O-N 3.38Å; F419-T423 PolarHBondContact O-N 2.95Å; F419-T423 PolarHBondContact O-OG1 2.94Å |
| 420 | F | 49.6 | Very low | 47.3 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.5 | -21.1 | 175.3 | -79.7 | -82.6 | 0 | 0 | 0 | 113.8 | S418 T423 | S418-F420 PolarHBondContact O-N 3.18Å; F420-T423 PolarHBondContact O-OG1 3.46Å |
| 421 | N | 42 | Very low | 45.4 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 46% | 0.46 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -92.3 | -26.2 | 172.2 | -76.1 | -58.1 | 0 | 0 | 0 | 112.6 | S418 F419 K424 K425 | S418-N421 CarbonylContact O-C 3.49Å; S418-N421 WeakPolarHBondContact O-CA 3.34Å; S418-N421 PolarHBondContact O-N 3.02Å; F419-N421 PolarHBondContact O-N 3.28Å; N421-K424 PolarHBondContact O-N 3.09Å; N421-K425 PolarHBondContact O-N 3.05Å; N421-K425 VanDerWaalsContact O-N 3.08Å |
| 422 | A | 36.6 | Very low | 43.1 | Very low | 27 Ų | 27 | 115 Ų | 115 | 22% | 0.223 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -70.3 | -40.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | S418 F419 K424 K425 F426 | S418-A422 WeakPolarHBondContact O-CB 3.09Å; S418-A422 PolarHBondContact O-N 3.17Å; F419-A422 PolarHBondContact O-N 3.38Å; A422-K424 VanDerWaalsContact C-N 3.28Å; A422-K424 PolarHBondContact O-N 3.08Å; A422-K425 PolarHBondContact O-N 3.07Å; A422-F426 PolarHBondContact O-N 3.14Å |
| 423 | T | 40.6 | Very low | 41.2 | Very low | 74 Ų | 74 | 113.9 Ų | 113.9 | 45% | 0.454 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -57.5 | -41.9 | 171.4 | 46.6 | 0 | 0 | 0 | 0 | 111.6 | F419 F420 F427 | F419-T423 PolarHBondContact O-N 2.95Å; F419-T423 PolarHBondContact O-OG1 2.94Å; F420-T423 PolarHBondContact O-OG1 3.46Å; T423-F427 PolarHBondContact O-N 3.39Å |
| 424 | K | 39.5 | Very low | 39.6 | Very low | 161 Ų | 161 | 114.8 Ų | 114.8 | 70% | 0.7 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.4 | -39.4 | 176.9 | -156.5 | 170.4 | -172.5 | 174.9 | 0 | 112.2 | N421 A422 T428 | N421-K424 PolarHBondContact O-N 3.09Å; A422-K424 VanDerWaalsContact C-N 3.28Å; A422-K424 PolarHBondContact O-N 3.08Å; K424-T428 WeakPolarHBondContact O-CG2 3.39Å; K424-T428 PolarHBondContact O-N 3.38Å; K424-T428 PolarHBondContact O-OG1 3.01Å |
| 425 | K | 40.3 | Very low | 38.3 | Very low | 158 Ų | 158 | 107.8 Ų | 107.8 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.3 | -44.2 | 175.7 | -79.3 | -168.6 | 172.4 | -174.1 | 0 | 113.7 | N421 A422 F427 T428 | N421-K425 PolarHBondContact O-N 3.05Å; N421-K425 VanDerWaalsContact O-N 3.08Å; A422-K425 PolarHBondContact O-N 3.07Å; K425-F427 PolarHBondContact O-N 2.83Å; K425-T428 WeakPolarHBondContact CA-OG1 3.41Å; K425-T428 PolarHBondContact O-N 2.96Å; K425-T428 PolarHBondContact O-OG1 3.11Å |
| 426 | F | 40 | Very low | 37.5 | Very low | 161 Ų | 161 | 107.9 Ų | 107.9 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -61.1 | -42.7 | 179.7 | -103.3 | -84.1 | 0 | 0 | 0 | 112.1 | A422 Q429 | A422-F426 PolarHBondContact O-N 3.14Å; F426-Q429 PolarHBondContact O-N 2.9Å |
| 427 | F | 38 | Very low | 36.9 | Very low | 160 Ų | 160 | 109.2 Ų | 109.2 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.3 | -26.9 | 178.5 | -85 | -81.8 | 0 | 0 | 0 | 114.2 | T423 K425 Q429 A430 | T423-F427 PolarHBondContact O-N 3.39Å; K425-F427 PolarHBondContact O-N 2.83Å; F427-Q429 VanDerWaalsContact C-N 3.26Å; F427-Q429 PolarHBondContact O-N 3.22Å; F427-A430 WeakPolarHBondContact O-CB 3.34Å; F427-A430 PolarHBondContact O-N 2.77Å |
| 428 | T | 42.3 | Very low | 36.3 | Very low | 96 Ų | 96 | 107.5 Ų | 107.5 | 59% | 0.589 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -66.4 | -24.8 | 173.6 | 43.8 | 0 | 0 | 0 | 0 | 114 | K424 K425 A430 | K424-T428 WeakPolarHBondContact O-CG2 3.39Å; K424-T428 PolarHBondContact O-N 3.38Å; K424-T428 PolarHBondContact O-OG1 3.01Å; K425-T428 WeakPolarHBondContact CA-OG1 3.41Å; K425-T428 PolarHBondContact O-N 2.96Å; K425-T428 PolarHBondContact O-OG1 3.11Å; T428-A430 VanDerWaalsContact C-N 3.32Å |
| 429 | Q | 42 | Very low | 35.5 | Very low | 148 Ų | 148 | 111.6 Ų | 111.6 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -78.1 | -15.1 | 175.1 | -71 | -173.5 | -48.3 | 0 | 0 | 113.4 | F426 F427 V431 | F426-Q429 PolarHBondContact O-N 2.9Å; F427-Q429 VanDerWaalsContact C-N 3.26Å; F427-Q429 PolarHBondContact O-N 3.22Å; Q429-V431 PolarHBondContact O-N 3.38Å; Q429-V431 VanDerWaalsContact O-N 3.12Å |
| 430 | A | 36.5 | Very low | 34.7 | Very low | 82 Ų | 82 | 111.7 Ų | 111.7 | 68% | 0.678 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -70.6 | -3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | F427 T428 | F427-A430 WeakPolarHBondContact O-CB 3.34Å; F427-A430 PolarHBondContact O-N 2.77Å; T428-A430 VanDerWaalsContact C-N 3.32Å |
| 431 | V | 38.7 | Very low | 33.5 | Very low | 133 Ų | 133 | 112.4 Ų | 112.4 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -119.5 | 15.2 | -176.2 | -147.6 | 0 | 0 | 0 | 0 | 112.9 | Q429 | Q429-V431 PolarHBondContact O-N 3.38Å; Q429-V431 VanDerWaalsContact O-N 3.12Å |
| 432 | G | 28.3 | Very low | 32.8 | Very low | 61 Ų | 61 | 114.5 Ų | 114.5 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -169.5 | 121.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 433 | G | 28.8 | Very low | 32.2 | Very low | 86 Ų | 86 | 119.9 Ų | 119.9 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | 101.4 | 112.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 434 | G | 27.1 | Very low | 31.4 | Very low | 86 Ų | 86 | 122 Ų | 122 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -109.1 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 435 | G | 26 | Very low | 30.8 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 94% | 0.938 | 77% | 0.765 | S | S | * | * | trans | 105.2 | 94.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 436 | G | 27.1 | Very low | 29.9 | Very low | 81 Ų | 81 | 119.3 Ų | 119.3 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | 172.5 | 59 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 437 | S | 24.9 | Very low | 29.2 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -72.5 | 131 | 172.1 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 438 | N | 28.5 | Very low | 28.4 | Very low | 156 Ų | 156 | 118.7 Ų | 118.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -156.9 | 102.3 | 156.6 | -99 | -33.8 | 0 | 0 | 0 | 108.8 | T440 | N438-T440 PolarHBondContact O-N 3.38Š| ||
| 439 | N | 24.8 | Very low | 27.6 | Very low | 156 Ų | 156 | 120.1 Ų | 120.1 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 119.6 | 177 | -68.8 | -21.3 | 0 | 0 | 0 | 110.1 | ||||
| 440 | T | 27.5 | Very low | 26.8 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -133.3 | 100.2 | 165.8 | -39.2 | 0 | 0 | 0 | 0 | 110 | N438 | N438-T440 PolarHBondContact O-N 3.38Š| ||
| 441 | T | 24.2 | Very low | 26.1 | Very low | 132 Ų | 132 | 122.6 Ų | 122.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -70.8 | 127.8 | 173 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 442 | V | 26.6 | Very low | 25.4 | Very low | 129 Ų | 129 | 125 Ų | 125 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -124.6 | 122.5 | 169.3 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 443 | N | 25.5 | Very low | 25.1 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | -77 | 136.2 | -171.5 | -71.1 | -25.3 | 0 | 0 | 0 | 112.5 | T445 | N443-T445 PolarHBondContact O-N 3.41Š| ||
| 444 | S | 22.5 | Very low | 24.8 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -80.3 | 99.7 | 173.8 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 445 | T | 26.3 | Very low | 24.7 | Very low | 117 Ų | 117 | 135.7 Ų | 135.7 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | -119.1 | 99.5 | 167.6 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | N443 N447 | N443-T445 PolarHBondContact O-N 3.41Å; T445-N447 PolarHBondContact O-N 3.26Å | ||
| 446 | N | 23.1 | Very low | 24.5 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | -71.3 | 109 | 178 | -66.5 | -26 | 0 | 0 | 0 | 110.8 | ||||
| 447 | N | 25.5 | Very low | 24.5 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -112.6 | 104 | 165.5 | -81.3 | -24.9 | 0 | 0 | 0 | 109.3 | T445 T449 | T445-N447 PolarHBondContact O-N 3.26Å; N447-T449 PolarHBondContact O-N 2.97Å | ||
| 448 | L | 20.7 | Very low | 24.4 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -77.3 | 117.2 | 173.4 | -77.1 | 78.6 | 0 | 0 | 0 | 109.6 | ||||
| 449 | T | 25.6 | Very low | 25.1 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -120.6 | 84.2 | 167 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | N447 | N447-T449 PolarHBondContact O-N 2.97Š| ||
| 450 | T | 24.4 | Very low | 25.3 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 27.6 | 109 | 144.9 | 53.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 451 | L | 21.3 | Very low | 24.9 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | 35.1 | 100.2 | 132.6 | -68.8 | 164.1 | 0 | 0 | 0 | 117.6 | ||||
| 452 | K | 24.2 | Very low | 25.1 | Very low | 183 Ų | 183 | 144 Ų | 144 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | trans | -91.6 | 103.7 | 153.7 | -76.8 | -171.1 | 175.5 | -177 | 0 | 110 | ||||
| 453 | I | 21.6 | Very low | 24.8 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -68.8 | 131.8 | 165.8 | -61.2 | 169.5 | 0 | 0 | 0 | 108 | ||||
| 454 | Y | 24.1 | Very low | 24.8 | Very low | 204 Ų | 204 | 141.8 Ų | 141.8 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -118.3 | 142.6 | 162.9 | -90.7 | -80.3 | 0 | 0 | 0 | 109.4 | ||||
| 455 | S | 23.5 | Very low | 25 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -109.2 | 155.3 | -162 | 37.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 456 | N | 22 | Very low | 24.8 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | 9.4 | 118.9 | 165 | -63.7 | 4.1 | 0 | 0 | 0 | 119.3 | ||||
| 457 | P | 28 | Very low | 24.9 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77 | 137.2 | 132 | 33.1 | -29.1 | 0 | 0 | 0 | 110.3 | ||
| 458 | S | 23.3 | Very low | 24.8 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 158 | 177 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 459 | P | 42.1 | Very low | 24.9 | Very low | 128 Ų | 128 | 143 Ų | 143 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 160.7 | -173.5 | 31.7 | -37.1 | 0 | 0 | 0 | 113.7 | ||
| 460 | I | 28.3 | Very low | 25 | Very low | 169 Ų | 169 | 143 Ų | 143 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -121.3 | 143.2 | 166.3 | -68 | 177.3 | 0 | 0 | 0 | 108.2 | ||||
| 461 | E | 20.3 | Very low | 24.9 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -87.6 | 140.5 | -169.9 | -55 | 161.9 | 119.3 | 0 | 0 | 112.8 | ||||
| 462 | T | 28 | Very low | 24.9 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -143.9 | 129.4 | 146.1 | 46.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 463 | S | 20.9 | Very low | 25 | Very low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -95.3 | 140.3 | -169.9 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 464 | A | 26.1 | Very low | 25.1 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -148.5 | 132.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 465 | N | 26.1 | Very low | 25 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -76.9 | 144 | -161.6 | -65.2 | -45.7 | 0 | 0 | 0 | 115.6 | ||||
| 466 | N | 21.9 | Very low | 25 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -2.2 | 141.7 | 146.8 | -59.3 | -29.1 | 0 | 0 | 0 | 119.3 | ||||
| 467 | I | 25.4 | Very low | 25.2 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | -158.8 | 131.5 | 116.5 | -102.8 | 155.9 | 0 | 0 | 0 | 112.4 | |||||
| 468 | S | 23.7 | Very low | 24.9 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 66% | 0.657 | 80% | 0.804 | S | S | * | * | trans | 40.2 | 103.6 | 163.1 | 66.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 469 | N | 23.2 | Very low | 25.1 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | 52.9 | 100.8 | 121 | -59.1 | 4.2 | 0 | 0 | 0 | 121.4 | |||||
| 470 | P | 25.8 | Very low | 24.2 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -76.4 | 162.2 | 150.7 | 33.6 | -33.5 | 0 | 0 | 0 | 112.2 | ||||
| 471 | C | 22.5 | Very low | 23.9 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -84.5 | 150 | -172.6 | -158.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 472 | S | 21.4 | Very low | 24.1 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -109.7 | 111.2 | -175.9 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 473 | P | 26.6 | Very low | 23.8 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -87.6 | 121.7 | 164.7 | 32.5 | -28.7 | 0 | 0 | 0 | 110.2 | ||||
| 474 | T | 23.9 | Very low | 23.8 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -98.7 | 149.7 | -172.6 | 42.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 475 | N | 22.4 | Very low | 23.6 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 65.3 | 91.7 | 156.4 | -58.4 | -10.2 | 0 | 0 | 0 | 119.3 | ||||
| 476 | P | 24.1 | Very low | 23.3 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 134.7 | 150.6 | 32.7 | -31.5 | 0 | 0 | 0 | 110.7 | ||
| 477 | V | 25.8 | Very low | 23.3 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 133.7 | 176.5 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 478 | I | 22.3 | Very low | 23.1 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 130.2 | -178.4 | -59.6 | 168.4 | 0 | 0 | 0 | 110 | ||
| 479 | V | 27.1 | Very low | 23 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -137.4 | 143 | 161.7 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 480 | N | 22.1 | Very low | 23.1 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 65% | 0.652 | 80% | 0.795 | S | S | * | * | trans | -119 | 171.9 | -167.6 | -61.7 | -64.7 | 0 | 0 | 0 | 113.5 | ||||
| 481 | N | 23.1 | Very low | 22.9 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | 81.6 | 102.6 | 143.6 | -68.9 | -19.7 | 0 | 0 | 0 | 122.1 | ||||
| 482 | S | 23.3 | Very low | 22.9 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | 105.4 | 148.1 | 101.9 | 78.2 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 483 | K | 23 | Very low | 22.9 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | 70.6 | 134.6 | 160.7 | -62.4 | 179.1 | 179.5 | 179.8 | 0 | 119.9 | ||||
| 484 | G | 21.2 | Very low | 22.9 | Very low | 69 Ų | 69 | 136.9 Ų | 136.9 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | 136.8 | 81.3 | 126 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 485 | E | 21.6 | Very low | 22.9 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | 64.5 | 174 | 140.7 | -60 | -171.9 | 144.7 | 0 | 0 | 121.6 | ||||
| 486 | L | 19.3 | Very low | 22.9 | Very low | 169 Ų | 169 | 138 Ų | 138 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -83.4 | 145.4 | -161.4 | -78.4 | 59.2 | 0 | 0 | 0 | 113.9 | ||||
| 487 | S | 22.1 | Very low | 22.9 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | -164.9 | 167.1 | 131.2 | 42.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 488 | T | 21.5 | Very low | 22.7 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -105.6 | 159.2 | -165 | 51.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 489 | N | 21.9 | Very low | 22.8 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | 74.1 | 102.2 | 161.1 | -52.9 | -26.4 | 0 | 0 | 0 | 118.1 | ||||
| 490 | T | 23.5 | Very low | 22.7 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -151.5 | 160.1 | 136.2 | -14.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 491 | T | 22.4 | Very low | 22.8 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -60.9 | 143.6 | -175.1 | 43.1 | 0 | 0 | 0 | 0 | 115 | T493 | T491-T493 PolarHBondContact O-N 3.12Š| ||
| 492 | L | 21.6 | Very low | 23.2 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | -67.6 | 93.9 | 173.9 | -67.6 | 165.6 | 0 | 0 | 0 | 112.2 | ||||
| 493 | T | 22.4 | Very low | 23.5 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 63% | 0.632 | 79% | 0.788 | S | S | * | * | trans | -89.6 | 142.8 | 151.1 | 48.9 | 0 | 0 | 0 | 0 | 109 | T491 Q495 | T491-T493 PolarHBondContact O-N 3.12Å; T493-Q495 PolarHBondContact O-N 3.3Å | ||
| 494 | P | 27.5 | Very low | 23.9 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | trans | -77.3 | 85.9 | -169.6 | 30.8 | -35.5 | 0 | 0 | 0 | 111.3 | S496 | P494-S496 PolarHBondContact O-N 2.93Š| ||
| 495 | Q | 21.8 | Very low | 24.9 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -68.2 | 105.4 | 170.5 | -73.2 | -168 | -13.9 | 0 | 0 | 110.1 | T493 I497 | T493-Q495 PolarHBondContact O-N 3.3Å; Q495-I497 PolarHBondContact O-N 3.01Å | ||
| 496 | S | 23 | Very low | 26.1 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | 19.8 | 98.7 | 148.2 | 56.5 | 0 | 0 | 0 | 0 | 115 | P494 S498 | P494-S496 PolarHBondContact O-N 2.93Å; S496-S498 PolarHBondContact O-N 3.19Å | ||
| 497 | I | 24.2 | Very low | 28.2 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -53.5 | 113 | 158 | -63.5 | 172.3 | 0 | 0 | 0 | 105.9 | Q495 Y499 | Q495-I497 PolarHBondContact O-N 3.01Å; I497-Y499 PolarHBondContact O-N 3.23Å | ||
| 498 | S | 21 | Very low | 30.6 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | trans | -64.2 | 103 | 170.4 | 37.8 | 0 | 0 | 0 | 0 | 106.7 | S496 A500 | S496-S498 PolarHBondContact O-N 3.19Å; S498-A500 VanDerWaalsContact C-N 3.32Å; S498-A500 PolarHBondContact O-N 3.48Å | ||
| 499 | Y | 26.1 | Very low | 33.1 | Very low | 215 Ų | 215 | 125.2 Ų | 125.2 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | trans | -55.6 | 102.9 | 169.2 | -75 | -88.8 | 0 | 0 | 0 | 107.2 | I497 G501 | I497-Y499 PolarHBondContact O-N 3.23Å; Y499-G501 VanDerWaalsContact C-N 3.32Å; Y499-G501 PolarHBondContact O-N 2.88Å | ||
| 500 | A | 24.1 | Very low | 36.1 | Very low | 89 Ų | 89 | 119.9 Ų | 119.9 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | trans | -54.5 | 107.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 104.7 | S498 P502 | S498-A500 VanDerWaalsContact C-N 3.32Å; S498-A500 PolarHBondContact O-N 3.48Å; A500-P502 VanDerWaalsContact O-N 3.14Å | ||
| 501 | G | 25.1 | Very low | 39 | Very low | 60 Ų | 60 | 116.5 Ų | 116.5 | 62% | 0.619 | 68% | 0.683 | S | S | * | * | trans | -48.3 | 125.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 108 | Y499 V503 | Y499-G501 VanDerWaalsContact C-N 3.32Å; Y499-G501 PolarHBondContact O-N 2.88Å; G501-V503 PolarHBondContact O-N 2.85Å | ||
| 502 | P | 30.2 | Very low | 41.7 | Very low | 108 Ų | 108 | 115.3 Ų | 115.3 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | trans | -50.3 | 119.8 | -157.4 | 18.3 | -32.4 | 0 | 0 | 0 | 108.6 | A500 N504 | A500-P502 VanDerWaalsContact O-N 3.14Å; P502-N504 PolarHBondContact O-N 3.13Å | ||
| 503 | V | 29.8 | Very low | 44.5 | Very low | 116 Ų | 116 | 111 Ų | 111 | 70% | 0.703 | 65% | 0.646 | S | S | * | * | trans | -45.2 | 119 | -179.9 | 174.7 | 0 | 0 | 0 | 0 | 105.8 | G501 H505 | G501-V503 PolarHBondContact O-N 2.85Å; V503-H505 PolarHBondContact O-CD2 3.24Å; V503-H505 PolarHBondContact O-N 2.96Å | ||
| 504 | N | 31.9 | Very low | 47.7 | Very low | 158 Ų | 158 | 106.8 Ų | 106.8 | 85% | 0.845 | 62% | 0.621 | S | S | * | * | trans | -56.5 | 93.5 | -171.2 | -89.4 | -21.8 | 0 | 0 | 0 | 108.6 | P502 S506 | P502-N504 PolarHBondContact O-N 3.13Å; N504-S506 VanDerWaalsContact C-N 3.26Å; N504-S506 PolarHBondContact O-N 2.8Å | ||
| 505 | H | 41.2 | Very low | 50.6 | Low | 141 Ų | 141 | 101.7 Ų | 101.7 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | trans | -67.4 | 97.7 | 174.6 | -75.1 | -74.8 | 0 | 0 | 0 | 103.9 | V503 T507 | V503-H505 PolarHBondContact O-CD2 3.24Å; V503-H505 PolarHBondContact O-N 2.96Å; H505-T507 PolarHBondContact O-N 2.98Å; H505-T507 PolarHBondContact O-OG1 3.05Å | ||
| 506 | S | 47.1 | Very low | 53.9 | Low | 100 Ų | 100 | 95.6 Ų | 95.6 | 70% | 0.699 | 56% | 0.56 | S | S | * | * | trans | -61.3 | 91.7 | 175.9 | 50.1 | 0 | 0 | 0 | 0 | 107.1 | N504 I508 | N504-S506 VanDerWaalsContact C-N 3.26Å; N504-S506 PolarHBondContact O-N 2.8Å; S506-I508 VanDerWaalsContact O-CG1 3.23Å; S506-I508 WeakPolarHBondContact O-CG1 3.22Å; S506-I508 PolarHBondContact O-N 2.76Å | ||
| 507 | T | 64.4 | Low | 57 | Low | 106 Ų | 106 | 91.1 Ų | 91.1 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | trans | -57.8 | 110.8 | -176.4 | -53.9 | 0 | 0 | 0 | 0 | 107.7 | H505 V509 | H505-T507 PolarHBondContact O-N 2.98Å; H505-T507 PolarHBondContact O-OG1 3.05Å; T507-V509 VanDerWaalsContact C-N 3.32Å; T507-V509 HydrophobicContact CG2-CG2 4.27Å; T507-V509 PolarHBondContact O-N 3.07Å | ||
| 508 | I | 71.5 | Confident | 60.2 | Low | 58 Ų | 58 | 84 Ų | 84 | 30% | 0.297 | 49% | 0.492 | S | S | . | . | trans | -78.1 | 89.8 | -173.8 | -57.6 | -173 | 0 | 0 | 0 | 107.8 | S506 Y510 D549 A551 | S506-I508 VanDerWaalsContact O-CG1 3.23Å; S506-I508 WeakPolarHBondContact O-CG1 3.22Å; S506-I508 PolarHBondContact O-N 2.76Å; I508-Y510 HydrophobicContact CB-CE2 4.38Å; I508-Y510 HydrophobicContact CG2-CD2 4.27Å; I508-Y510 HydrophobicContact CG2-CE1 4.11Å; I508-Y510 HydrophobicContact CG2-CE2 3.72Å; I508-Y510 WeakPolarHBondContact O-CD2 3.14Å; I508-Y510 PolarHBondContact O-N 2.91Å; I508-D549 HydrophobicContact CD1-CB 4.04Å; I508-D549 WeakPolarHBondContact CD1-O 3.44Å; I508-A551 HydrophobicContact CB-CB 4.21Å; I508-A551 HydrophobicContact CD1-CB 4.3Å; I508-A551 HydrophobicContact CG2-CB 4.49Å | ||
| 509 | V | 75.4 | Confident | 63.7 | Low | 116 Ų | 116 | 79.4 Ų | 79.4 | 70% | 0.703 | 46% | 0.459 | S | S | * | . | trans | -81.5 | 98.5 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | T507 S511 | T507-V509 VanDerWaalsContact C-N 3.32Å; T507-V509 HydrophobicContact CG2-CG2 4.27Å; T507-V509 PolarHBondContact O-N 3.07Å; V509-S511 PolarHBondContact O-N 3.05Å | ||
| 510 | Y | 84.1 | Confident | 66.9 | Low | 34 Ų | 34 | 69.3 Ų | 69.3 | 13% | 0.133 | 42% | 0.419 | C | S | . | . | trans | -67.3 | 118.4 | 170.3 | -66.8 | -80 | 0 | 0 | 0 | 110.1 | I508 S514 E516 F546 D549 A551 H554 | I508-Y510 HydrophobicContact CB-CE2 4.38Å; I508-Y510 HydrophobicContact CG2-CD2 4.27Å; I508-Y510 HydrophobicContact CG2-CE1 4.11Å; I508-Y510 HydrophobicContact CG2-CE2 3.72Å; I508-Y510 WeakPolarHBondContact O-CD2 3.14Å; I508-Y510 PolarHBondContact O-N 2.91Å; Y510-S514 WeakPolarHBondContact CB-OG 3.4Å; Y510-E516 HydrophobicContact CD1-CB 3.83Å; Y510-E516 HydrophobicContact CD1-CG 4.18Å; Y510-E516 HydrophobicContact CE1-CB 3.92Å; Y510-E516 HydrophobicContact CE1-CG 3.88Å; Y510-F546 HydrophobicContact CD2-CE1 4.18Å; Y510-F546 HydrophobicContact CE1-CD1 4.41Å; Y510-F546 HydrophobicContact CE1-CE1 4.22Å; Y510-F546 AromaticContact CE2-CD1 3.78Å; Y510-F546 HydrophobicContact CE2-CD1 3.78Å; Y510-F546 AromaticContact CE2-CE1 3.7Å; Y510-F546 HydrophobicContact CE2-CE1 3.7Å; Y510-F546 AromaticContact CZ-CD1 3.64Å; Y510-F546 AromaticContact CZ-CE1 3.74Å; Y510-F546 WeakPolarHBondContact OH-CD1 3.37Å; Y510-D549 WeakPolarHBondContact OH-CB 3.29Å; Y510-D549 PolarHBondContact OH-OD2 2.87Å; Y510-A551 HydrophobicContact CE2-CB 3.71Å; Y510-A551 VanDerWaalsContact OH-CB 3.27Å; Y510-A551 WeakPolarHBondContact OH-CB 3.47Å; Y510-H554 AromaticContact CD2-CD2 3.88Å; Y510-H554 AromaticContact CD2-CE1 3.83Å; Y510-H554 AromaticContact CD2-NE2 3.76Å; Y510-H554 HydrophobicContact CE2-CB 4.44Å; Y510-H554 AromaticContact CE2-CD2 3.79Å; Y510-H554 AromaticContact CE2-CG 3.97Å | ||
| 511 | S | 83.4 | Confident | 70.2 | Confident | 72 Ų | 72 | 66 Ų | 66 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | trans | -62 | 153.7 | 172.5 | 65.9 | 0 | 0 | 0 | 0 | 110.7 | V509 D513 S514 S517 | V509-S511 PolarHBondContact O-N 3.05Å; S511-D513 PolarHBondContact O-N 2.91Å; S511-S514 WeakPolarHBondContact O-CB 3.44Å; S511-S514 PolarHBondContact O-N 3.46Å; S511-S514 PolarHBondContact O-OG 3.38Å; S511-S514 PolarHBondContact OG-N 3.02Å; S511-S517 WeakPolarHBondContact O-CB 3.36Å | ||
| 512 | Q | 79.9 | Confident | 73.5 | Confident | 98 Ų | 98 | 63.4 Ų | 63.4 | 46% | 0.458 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.6 | -179.9 | -62.7 | -165.8 | 21.6 | 0 | 0 | 113.6 | R521 | Q512-R521 PolarHBondContact O-NH1 3.38Š|
| 513 | D | 81.4 | Confident | 76.6 | Confident | 92 Ų | 92 | 58.2 Ų | 58.2 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -12.6 | 177.1 | -94.3 | -40.1 | 0 | 0 | 0 | 115 | R412 S511 Q518 | R412-D513 PolarHBondContact NE-O 2.76Å; R412-D513 PolarHBondContact NH1-O 3.4Å; R412-D513 VanDerWaalsContact NH1-O 3.12Å; R412-D513 PolarHBondContact NH2-O 2.84Å; R412-D513 IonicContact NH2-OD1 3.16Å; R412-D513 PolarHBondContact NH2-OD1 3.33Å; S511-D513 PolarHBondContact O-N 2.91Å; D513-Q518 PolarHBondContact O-NE2 2.77Å; D513-Q518 PolarHBondContact OD1-NE2 3.28Å |
| 514 | S | 88.2 | Confident | 79.8 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -57.9 | 136.3 | 175 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | Y510 S511 E516 S517 Q518 | Y510-S514 WeakPolarHBondContact CB-OG 3.4Å; S511-S514 WeakPolarHBondContact O-CB 3.44Å; S511-S514 PolarHBondContact O-N 3.46Å; S511-S514 PolarHBondContact O-OG 3.38Å; S511-S514 PolarHBondContact OG-N 3.02Å; S514-E516 WeakPolarHBondContact CB-OE2 3.39Å; S514-E516 PolarHBondContact O-N 2.92Å; S514-E516 VanDerWaalsContact O-N 3.13Å; S514-S517 PolarHBondContact O-N 2.79Å; S514-S517 WeakPolarHBondContact OG-CB 3.49Å; S514-S517 PolarHBondContact OG-N 2.85Å; S514-Q518 WeakPolarHBondContact O-CG 3.22Å; S514-Q518 PolarHBondContact O-N 3.13Å |
| 515 | P | 88.8 | Confident | 82.8 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -25.8 | -176.9 | 22.4 | -29.9 | 0 | 0 | 0 | 112.4 | R412 M413 M519 | R412-P515 HydrophobicContact CB-CB 4.19Å; M413-P515 HydrophobicContact CE-CB 4.24Å; M413-P515 HydrophobicContact CE-CG 4.49Å; P515-M519 VanDerWaalsContact O-CB 3.28Å; P515-M519 WeakPolarHBondContact O-CB 3.16Å; P515-M519 VanDerWaalsContact O-CG 3.31Å; P515-M519 WeakPolarHBondContact O-CG 3.46Å; P515-M519 PolarHBondContact O-N 3.37Å |
| 516 | E | 90 | Very high | 85.3 | Confident | 45 Ų | 45 | 38.5 Ų | 38.5 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -46.8 | 173.1 | -56.2 | 70.1 | -150 | 0 | 0 | 111.3 | Y510 S514 M519 R520 L542 F546 | Y510-E516 HydrophobicContact CD1-CB 3.83Å; Y510-E516 HydrophobicContact CD1-CG 4.18Å; Y510-E516 HydrophobicContact CE1-CB 3.92Å; Y510-E516 HydrophobicContact CE1-CG 3.88Å; S514-E516 WeakPolarHBondContact CB-OE2 3.39Å; S514-E516 PolarHBondContact O-N 2.92Å; S514-E516 VanDerWaalsContact O-N 3.13Å; E516-M519 PolarHBondContact O-N 3.34Å; E516-R520 WeakPolarHBondContact O-CB 3.42Å; E516-R520 PolarHBondContact O-N 2.83Å; E516-L542 HydrophobicContact CB-CD2 4.33Å; E516-L542 WeakPolarHBondContact O-CD2 3.34Å; E516-F546 HydrophobicContact CB-CE1 3.9Å; E516-F546 HydrophobicContact CB-CZ 4.46Å |
| 517 | S | 89.6 | Confident | 87.6 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 6% | 0.056 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 174.1 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | S511 S514 R520 R521 | S511-S517 WeakPolarHBondContact O-CB 3.36Å; S514-S517 PolarHBondContact O-N 2.79Å; S514-S517 WeakPolarHBondContact OG-CB 3.49Å; S514-S517 PolarHBondContact OG-N 2.85Å; S517-R520 PolarHBondContact O-N 2.75Å; S517-R521 WeakPolarHBondContact O-CB 3.47Å; S517-R521 WeakPolarHBondContact O-CD 3.27Å; S517-R521 VanDerWaalsContact O-CG 3.23Å; S517-R521 WeakPolarHBondContact O-CG 3.5Å; S517-R521 PolarHBondContact O-N 3.48Å |
| 518 | Q | 91.5 | Very high | 89 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.8 | -65 | -172.2 | -13.4 | 0 | 0 | 111.8 | L405 I409 R412 D513 S514 L522 | L405-Q518 HydrophobicContact CD2-CB 4.25Å; I409-Q518 HydrophobicContact CD1-CB 4.37Å; I409-Q518 HydrophobicContact CG1-CB 3.92Å; R412-Q518 VanDerWaalsContact NE-OE1 3.13Å; D513-Q518 PolarHBondContact O-NE2 2.77Å; D513-Q518 PolarHBondContact OD1-NE2 3.28Å; S514-Q518 WeakPolarHBondContact O-CG 3.22Å; S514-Q518 PolarHBondContact O-N 3.13Å; Q518-L522 WeakPolarHBondContact O-CB 3.4Å; Q518-L522 PolarHBondContact O-N 3.1Å |
| 519 | M | 93.5 | Very high | 90.1 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 5% | 0.054 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 172.2 | -82.5 | -170.6 | -174.2 | 0 | 0 | 112.2 | I409 M413 P515 E516 L522 A523 T538 V541 L542 | I409-M519 HydrophobicContact CD1-CB 4.35Å; I409-M519 HydrophobicContact CD1-CG 3.82Å; I409-M519 HydrophobicContact CG1-CG 4Å; I409-M519 HydrophobicContact CG2-CE 3.47Å; I409-M519 VanDerWaalsContact CG2-CE 3.47Å; I409-M519 HydrophobicContact CG2-CG 3.83Å; M413-M519 HydrophobicContact CE-CE 3.67Å; M413-M519 HydrophobicContact CE-SD 4.47Å; M413-M519 HydrophobicContact CG-CE 3.92Å; M413-M519 HydrophobicContact SD-CE 4.48Å; P515-M519 VanDerWaalsContact O-CB 3.28Å; P515-M519 WeakPolarHBondContact O-CB 3.16Å; P515-M519 VanDerWaalsContact O-CG 3.31Å; P515-M519 WeakPolarHBondContact O-CG 3.46Å; P515-M519 PolarHBondContact O-N 3.37Å; E516-M519 PolarHBondContact O-N 3.34Å; M519-L522 PolarHBondContact O-N 3.45Å; M519-A523 WeakPolarHBondContact O-CB 3.43Å; M519-A523 PolarHBondContact O-N 3.26Å; M519-T538 HydrophobicContact CB-CG2 4.04Å; M519-T538 HydrophobicContact CG-CG2 4.41Å; M519-T538 WeakPolarHBondContact O-CG2 3.43Å; M519-V541 HydrophobicContact SD-CG1 4.4Å; M519-L542 HydrophobicContact CB-CD1 4.09Å; M519-L542 HydrophobicContact CB-CD2 3.76Å; M519-L542 HydrophobicContact CB-CG 4.09Å; M519-L542 HydrophobicContact SD-CD2 4.34Å |
| 520 | R | 94.4 | Very high | 91 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 179.3 | 179 | 65.2 | -150.6 | -144.4 | 3.8 | 111.2 | F141 E516 S517 A523 D524 L542 G557 | F141-R520 HydrophobicContact CD2-CB 4.46Å; F141-R520 HydrophobicContact CD2-CG 3.81Å; F141-R520 HydrophobicContact CE2-CB 4.19Å; F141-R520 HydrophobicContact CE2-CG 3.75Å; E516-R520 WeakPolarHBondContact O-CB 3.42Å; E516-R520 PolarHBondContact O-N 2.83Å; S517-R520 PolarHBondContact O-N 2.75Å; R520-A523 PolarHBondContact O-N 3.33Å; R520-D524 IonicContact CZ-OD1 3.46Å; R520-D524 IonicContact CZ-OD2 2.77Å; R520-D524 IonicContact NE-OD1 2.78Å; R520-D524 PolarHBondContact NE-OD1 3Å; R520-D524 IonicContact NE-OD2 3.61Å; R520-D524 PolarHBondContact NE-OD2 2.82Å; R520-D524 IonicContact NH2-OD1 3.81Å; R520-D524 PolarHBondContact NH2-OD1 3.09Å; R520-D524 IonicContact NH2-OD2 3.55Å; R520-D524 PolarHBondContact NH2-OD2 3.4Å; R520-D524 PolarHBondContact O-N 3.15Å; R520-L542 HydrophobicContact CB-CD1 3.94Å; R520-G557 PolarHBondContact NH1-O 2.93Å |
| 521 | R | 93.8 | Very high | 91.3 | Very high | 19 Ų | 19 | 22 Ų | 22 | 7% | 0.072 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 174.1 | -69.5 | 161.2 | 73.9 | -162 | 5.6 | 111.7 | F141 F185 T186 L405 Q512 S517 A523 L525 | F141-R521 HydrophobicContact CB-CG 4.25Å; F141-R521 HydrophobicContact CD1-CG 3.67Å; F141-R521 HydrophobicContact CD2-CB 4.35Å; F141-R521 HydrophobicContact CD2-CG 3.39Å; F141-R521 HydrophobicContact CE1-CG 3.78Å; F141-R521 HydrophobicContact CE2-CG 3.53Å; F141-R521 HydrophobicContact CG-CB 4.48Å; F141-R521 HydrophobicContact CG-CG 3.47Å; F141-R521 VanDerWaalsContact CG-CG 3.47Å; F141-R521 HydrophobicContact CZ-CG 3.72Å; F185-R521 HydrophobicContact CE2-CB 4.3Å; F185-R521 HydrophobicContact CZ-CB 3.84Å; F185-R521 HydrophobicContact CZ-CG 4.48Å; F185-R521 WeakPolarHBondContact CZ-O 3.34Å; F185-R521 PolarHBondContact O-NE 3.35Å; F185-R521 PolarHBondContact O-NH2 3.01Å; T186-R521 VanDerWaalsContact CG2-NH2 3.33Å; L405-R521 HydrophobicContact CD1-CB 4.18Å; Q512-R521 PolarHBondContact O-NH1 3.38Å; S517-R521 WeakPolarHBondContact O-CB 3.47Å; S517-R521 WeakPolarHBondContact O-CD 3.27Å; S517-R521 VanDerWaalsContact O-CG 3.23Å; S517-R521 WeakPolarHBondContact O-CG 3.5Å; S517-R521 PolarHBondContact O-N 3.48Å; R521-A523 VanDerWaalsContact C-N 3.35Å; R521-A523 PolarHBondContact O-N 3.43Å; R521-L525 VanDerWaalsContact O-CB 3.29Å; R521-L525 WeakPolarHBondContact O-CB 3.26Å; R521-L525 PolarHBondContact O-N 3.4Å |
| 522 | L | 93.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 174.6 | 176.4 | 64.7 | 0 | 0 | 0 | 111.9 | M402 L405 N406 I409 Q518 M519 A526 | M402-L522 HydrophobicContact CB-CD1 4.38Å; M402-L522 HydrophobicContact CE-CD1 4.35Å; M402-L522 HydrophobicContact CG-CD1 4.42Å; L405-L522 HydrophobicContact CB-CB 4.27Å; L405-L522 HydrophobicContact CB-CD1 4.4Å; L405-L522 HydrophobicContact CD1-CB 4.29Å; N406-L522 WeakPolarHBondContact ND2-CD1 3.41Å; N406-L522 VanDerWaalsContact OD1-CD2 3.28Å; N406-L522 WeakPolarHBondContact OD1-CD2 3.39Å; I409-L522 HydrophobicContact CD1-CB 4.11Å; I409-L522 HydrophobicContact CD1-CD2 3.66Å; Q518-L522 WeakPolarHBondContact O-CB 3.4Å; Q518-L522 PolarHBondContact O-N 3.1Å; M519-L522 PolarHBondContact O-N 3.45Å; L522-A526 VanDerWaalsContact O-CB 3.28Å; L522-A526 WeakPolarHBondContact O-CB 3.37Å; L522-A526 PolarHBondContact O-N 3.23Å |
| 523 | A | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.9 | -44.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M519 R520 R521 A526 F527 T538 Y539 | M519-A523 WeakPolarHBondContact O-CB 3.43Å; M519-A523 PolarHBondContact O-N 3.26Å; R520-A523 PolarHBondContact O-N 3.33Å; R521-A523 VanDerWaalsContact C-N 3.35Å; R521-A523 PolarHBondContact O-N 3.43Å; A523-A526 PolarHBondContact O-N 3.36Å; A523-F527 WeakPolarHBondContact O-CB 3.13Å; A523-F527 PolarHBondContact O-N 3.43Å; A523-T538 HydrophobicContact CB-CG2 3.82Å; A523-Y539 HydrophobicContact CB-CD1 3.64Å; A523-Y539 HydrophobicContact CB-CD2 4.46Å; A523-Y539 HydrophobicContact CB-CE1 3.36Å; A523-Y539 HydrophobicContact CB-CE2 4.22Å; A523-Y539 HydrophobicContact CB-CG 4.18Å; A523-Y539 PolarHBondContact O-OH 3.05Å |
| 524 | D | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.1 | -76.3 | -43.3 | 0 | 0 | 0 | 111.3 | F141 R520 F527 L528 Y539 | F141-D524 HydrophobicContact CB-CB 4.09Å; F141-D524 PolarHBondContact N-OD2 3.4Å; R520-D524 IonicContact CZ-OD1 3.46Å; R520-D524 IonicContact CZ-OD2 2.77Å; R520-D524 IonicContact NE-OD1 2.78Å; R520-D524 PolarHBondContact NE-OD1 3Å; R520-D524 IonicContact NE-OD2 3.61Å; R520-D524 PolarHBondContact NE-OD2 2.82Å; R520-D524 IonicContact NH2-OD1 3.81Å; R520-D524 PolarHBondContact NH2-OD1 3.09Å; R520-D524 IonicContact NH2-OD2 3.55Å; R520-D524 PolarHBondContact NH2-OD2 3.4Å; R520-D524 PolarHBondContact O-N 3.15Å; D524-F527 WeakPolarHBondContact O-CB 3.03Å; D524-F527 PolarHBondContact O-N 3.47Å; D524-L528 WeakPolarHBondContact O-CG 3.36Å; D524-L528 PolarHBondContact O-N 3.32Å; D524-Y539 WeakPolarHBondContact CA-OH 3.19Å; D524-Y539 PolarHBondContact N-OH 3.33Å; D524-Y539 PolarHBondContact OD1-OH 3.5Å |
| 525 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.7 | -40.2 | 177.3 | -168.5 | 59.7 | 0 | 0 | 0 | 112.2 | L146 F185 V398 T401 M402 R521 F527 L528 F529 | L146-L525 HydrophobicContact CD1-CD1 3.98Å; L146-L525 HydrophobicContact CD2-CD1 4.32Å; F185-L525 HydrophobicContact CE1-CD2 3.97Å; F185-L525 HydrophobicContact CE2-CB 4.28Å; F185-L525 HydrophobicContact CZ-CB 3.8Å; F185-L525 HydrophobicContact CZ-CD1 4.35Å; F185-L525 HydrophobicContact CZ-CD2 3.97Å; F185-L525 HydrophobicContact CZ-CG 4.27Å; V398-L525 HydrophobicContact CG1-CD1 4.12Å; V398-L525 HydrophobicContact CG1-CD2 4.36Å; V398-L525 HydrophobicContact CG1-CG 4.17Å; V398-L525 HydrophobicContact CG2-CD1 4.32Å; T401-L525 HydrophobicContact CG2-CD2 3.82Å; M402-L525 HydrophobicContact CG-CD2 3.5Å; M402-L525 HydrophobicContact CG-CG 3.9Å; M402-L525 HydrophobicContact SD-CG 4.32Å; R521-L525 VanDerWaalsContact O-CB 3.29Å; R521-L525 WeakPolarHBondContact O-CB 3.26Å; R521-L525 PolarHBondContact O-N 3.4Å; L525-F527 VanDerWaalsContact C-N 3.3Å; L525-F527 PolarHBondContact O-N 2.74Å; L525-L528 PolarHBondContact O-N 2.95Å; L525-F529 HydrophobicContact CD1-CD2 3.95Å; L525-F529 HydrophobicContact CD1-CE2 3.84Å; L525-F529 WeakPolarHBondContact O-CD2 3.46Å; L525-F529 PolarHBondContact O-N 2.85Å |
| 526 | A | 93.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.5 | -36.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M402 L522 A523 F529 Q530 Q531 V534 A535 | M402-A526 HydrophobicContact CE-CB 3.99Å; L522-A526 VanDerWaalsContact O-CB 3.28Å; L522-A526 WeakPolarHBondContact O-CB 3.37Å; L522-A526 PolarHBondContact O-N 3.23Å; A523-A526 PolarHBondContact O-N 3.36Å; A526-F529 CarbonylContact O-C 3.55Å; A526-Q530 PolarHBondContact O-N 3.26Å; A526-Q531 HydrophobicContact CB-CB 4.19Å; A526-Q531 WeakPolarHBondContact O-CA 3.36Å; A526-Q531 PolarHBondContact O-N 3.48Å; A526-V534 HydrophobicContact CB-CB 4.3Å; A526-V534 HydrophobicContact CB-CG1 4.22Å; A526-A535 HydrophobicContact CB-CB 4.17Å |
| 527 | F | 95.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 1% | 0.013 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.8 | -48.5 | 176.6 | -172.4 | -83.7 | 0 | 0 | 0 | 111.9 | I12 F16 A523 D524 L525 F529 Q530 Y532 A535 Y539 M561 L564 S565 L568 | I12-F527 HydrophobicContact CG2-CZ 4.33Å; F16-F527 HydrophobicContact CB-CD1 4.28Å; F16-F527 HydrophobicContact CB-CE1 3.77Å; F16-F527 AromaticContact CD2-CE1 3.92Å; F16-F527 HydrophobicContact CD2-CE1 3.92Å; F16-F527 HydrophobicContact CD2-CZ 4.32Å; F16-F527 HydrophobicContact CG-CE1 4.02Å; A523-F527 WeakPolarHBondContact O-CB 3.13Å; A523-F527 PolarHBondContact O-N 3.43Å; D524-F527 WeakPolarHBondContact O-CB 3.03Å; D524-F527 PolarHBondContact O-N 3.47Å; L525-F527 VanDerWaalsContact C-N 3.3Å; L525-F527 PolarHBondContact O-N 2.74Å; F527-F529 PolarHBondContact O-N 2.97Å; F527-Q530 PolarHBondContact O-N 3.3Å; F527-Y532 AromaticContact CD2-CD1 3.97Å; F527-Y532 HydrophobicContact CD2-CD1 3.97Å; F527-Y532 HydrophobicContact CD2-CE1 4.36Å; F527-Y532 HydrophobicContact CE2-CD1 4.15Å; F527-Y532 HydrophobicContact CE2-CE1 4.35Å; F527-Y532 HydrophobicContact CG-CD1 4.4Å; F527-Y532 HydrophobicContact CZ-CE1 4.47Å; F527-Y532 WeakPolarHBondContact O-CE1 3.46Å; F527-A535 HydrophobicContact CB-CB 3.97Å; F527-A535 HydrophobicContact CD2-CB 4.37Å; F527-Y539 HydrophobicContact CD2-CE2 4.24Å; F527-M561 HydrophobicContact CB-CE 4.41Å; F527-M561 HydrophobicContact CD1-CE 3.52Å; F527-M561 HydrophobicContact CD2-CE 3.8Å; F527-M561 HydrophobicContact CE1-CE 3.56Å; F527-M561 HydrophobicContact CE2-CE 3.82Å; F527-M561 HydrophobicContact CG-CE 3.65Å; F527-M561 HydrophobicContact CZ-CE 3.69Å; F527-L564 HydrophobicContact CE2-CB 3.99Å; F527-L564 HydrophobicContact CZ-CB 4.05Å; F527-S565 WeakPolarHBondContact CD2-OG 3.38Å; F527-L568 HydrophobicContact CE1-CD1 4.15Å; F527-L568 HydrophobicContact CE2-CD1 3.84Å; F527-L568 HydrophobicContact CZ-CD1 3.42Å; F527-L568 VanDerWaalsContact CZ-CD1 3.42Å |
| 528 | L | 94.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.6 | -31.3 | 179.2 | -73.9 | 176.8 | 0 | 0 | 0 | 113.2 | F16 P18 L146 D524 L525 | F16-L528 HydrophobicContact CB-CD2 4.29Å; P18-L528 HydrophobicContact CG-CB 4.17Å; L146-L528 HydrophobicContact CD1-CD1 4.48Å; D524-L528 WeakPolarHBondContact O-CG 3.36Å; D524-L528 PolarHBondContact O-N 3.32Å; L525-L528 PolarHBondContact O-N 2.95Å |
| 529 | F | 93.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 0% | 0.004 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 32.1 | 175.5 | -66.6 | -86.7 | 0 | 0 | 0 | 113 | P18 F55 V65 L68 L146 L394 L395 V398 L525 A526 F527 Q531 | P18-F529 HydrophobicContact CB-CZ 4.25Å; P18-F529 HydrophobicContact CG-CE1 4.27Å; P18-F529 HydrophobicContact CG-CE2 3.87Å; P18-F529 HydrophobicContact CG-CZ 3.62Å; F55-F529 HydrophobicContact CE1-CB 3.87Å; F55-F529 WeakPolarHBondContact CE1-O 3.29Å; F55-F529 HydrophobicContact CE2-CB 4.45Å; F55-F529 HydrophobicContact CZ-CB 3.66Å; V65-F529 HydrophobicContact CG2-CB 4.47Å; L68-F529 HydrophobicContact CD1-CD1 4.44Å; L68-F529 HydrophobicContact CD1-CE1 4.17Å; L68-F529 HydrophobicContact CD2-CE1 4Å; L146-F529 HydrophobicContact CD1-CE2 3.73Å; L146-F529 HydrophobicContact CD1-CZ 4.13Å; L394-F529 HydrophobicContact CD2-CZ 4.35Å; L394-F529 HydrophobicContact CG-CZ 4.43Å; L395-F529 HydrophobicContact CD2-CD1 3.67Å; L395-F529 HydrophobicContact CD2-CE1 3.57Å; V398-F529 HydrophobicContact CB-CE2 4.39Å; V398-F529 HydrophobicContact CG1-CD2 3.74Å; V398-F529 HydrophobicContact CG1-CE2 3.92Å; V398-F529 HydrophobicContact CG1-CG 4.1Å; V398-F529 HydrophobicContact CG1-CZ 4.43Å; V398-F529 HydrophobicContact CG2-CD2 4.26Å; V398-F529 HydrophobicContact CG2-CE1 4.32Å; V398-F529 HydrophobicContact CG2-CE2 3.57Å; V398-F529 HydrophobicContact CG2-CZ 3.61Å; L525-F529 HydrophobicContact CD1-CD2 3.95Å; L525-F529 HydrophobicContact CD1-CE2 3.84Å; L525-F529 WeakPolarHBondContact O-CD2 3.46Å; L525-F529 PolarHBondContact O-N 2.85Å; A526-F529 CarbonylContact O-C 3.55Å; F527-F529 PolarHBondContact O-N 2.97Å; F529-Q531 PolarHBondContact O-N 3.01Å |
| 530 | Q | 93.3 | Very high | 94 | Very high | 45 Ų | 45 | 19.2 Ų | 19.2 | 21% | 0.21 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 12.8 | 165.6 | -54.1 | -179.6 | -2.9 | 0 | 0 | 116.4 | V65 K66 A526 F527 Y532 | V65-Q530 HydrophobicContact CG1-CB 4.45Å; V65-Q530 HydrophobicContact CG1-CG 3.91Å; K66-Q530 PolarHBondContact O-NE2 2.76Å; A526-Q530 PolarHBondContact O-N 3.26Å; F527-Q530 PolarHBondContact O-N 3.3Å; Q530-Y532 HydrophobicContact CB-CE2 3.92Å; Q530-Y532 HydrophobicContact CG-CE2 4.31Å; Q530-Y532 WeakPolarHBondContact O-CD2 3.46Å; Q530-Y532 PolarHBondContact O-N 2.94Å |
| 531 | Q | 91.8 | Very high | 94 | Very high | 14 Ų | 14 | 21.3 Ų | 21.3 | 7% | 0.065 | 11% | 0.106 | C | C | . | . | trans | -80.7 | 55.6 | 171.6 | -68.8 | -171.4 | 4.7 | 0 | 0 | 111.6 | F55 H63 A526 F529 E533 V534 A535 | F55-Q531 HydrophobicContact CE1-CG 4.43Å; F55-Q531 HydrophobicContact CZ-CG 3.85Å; H63-Q531 PolarHBondContact CD2-NE2 2.97Å; A526-Q531 HydrophobicContact CB-CB 4.19Å; A526-Q531 WeakPolarHBondContact O-CA 3.36Å; A526-Q531 PolarHBondContact O-N 3.48Å; F529-Q531 PolarHBondContact O-N 3.01Å; Q531-E533 PolarHBondContact O-N 2.79Å; Q531-V534 HydrophobicContact CB-CB 4.24Å; Q531-V534 HydrophobicContact CB-CG2 4.26Å; Q531-V534 PolarHBondContact O-N 3.23Å; Q531-A535 PolarHBondContact O-N 3.49Å | ||
| 532 | Y | 94 | Very high | 94 | Very high | 24 Ų | 24 | 20.4 Ų | 20.4 | 9% | 0.094 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.7 | -21.9 | -168.7 | -53.5 | -61.1 | 0 | 0 | 0 | 115 | N13 F527 Q530 Y536 S565 L568 Q569 | N13-Y532 PolarHBondContact ND2-OH 2.82Å; N13-Y532 PolarHBondContact OD1-OH 3.21Å; F527-Y532 AromaticContact CD2-CD1 3.97Å; F527-Y532 HydrophobicContact CD2-CD1 3.97Å; F527-Y532 HydrophobicContact CD2-CE1 4.36Å; F527-Y532 HydrophobicContact CE2-CD1 4.15Å; F527-Y532 HydrophobicContact CE2-CE1 4.35Å; F527-Y532 HydrophobicContact CG-CD1 4.4Å; F527-Y532 HydrophobicContact CZ-CE1 4.47Å; F527-Y532 WeakPolarHBondContact O-CE1 3.46Å; Q530-Y532 HydrophobicContact CB-CE2 3.92Å; Q530-Y532 HydrophobicContact CG-CE2 4.31Å; Q530-Y532 WeakPolarHBondContact O-CD2 3.46Å; Q530-Y532 PolarHBondContact O-N 2.94Å; Y532-Y536 VanDerWaalsContact O-CB 3.24Å; Y532-Y536 WeakPolarHBondContact O-CB 3.49Å; Y532-Y536 PolarHBondContact O-N 2.95Å; Y532-S565 WeakPolarHBondContact O-CB 3.14Å; Y532-L568 HydrophobicContact CD1-CB 3.91Å; Y532-L568 HydrophobicContact CD1-CD1 3.91Å; Y532-L568 HydrophobicContact CD2-CB 3.72Å; Y532-L568 HydrophobicContact CE1-CB 3.82Å; Y532-L568 HydrophobicContact CE1-CD1 3.33Å; Y532-L568 HydrophobicContact CE1-CG 4.2Å; Y532-L568 HydrophobicContact CE2-CB 3.63Å; Y532-L568 HydrophobicContact CE2-CD1 4.49Å; Y532-L568 HydrophobicContact CG-CB 3.85Å; Y532-Q569 PolarHBondContact O-NE2 3.01Å |
| 533 | E | 91.8 | Very high | 94 | Very high | 60 Ų | 60 | 21.5 Ų | 21.5 | 28% | 0.28 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -77.9 | -36.3 | 172.9 | -179.3 | 59.4 | -173.3 | 0 | 0 | 112.9 | Q531 Y536 Q537 Q569 R575 | Q531-E533 PolarHBondContact O-N 2.79Å; E533-Y536 PolarHBondContact O-N 2.73Å; E533-Q537 WeakPolarHBondContact O-CB 3.21Å; E533-Q537 VanDerWaalsContact O-CG 3.27Å; E533-Q537 WeakPolarHBondContact O-CG 2.96Å; E533-Q537 PolarHBondContact O-N 2.92Å; E533-Q537 PolarHBondContact OE1-NE2 3.38Å; E533-Q569 PolarHBondContact OE2-NE2 3.47Å; E533-R575 IonicContact OE1-CZ 2.64Å; E533-R575 IonicContact OE1-NH1 2.79Å; E533-R575 PolarHBondContact OE1-NH1 2.74Å; E533-R575 IonicContact OE1-NH2 2.69Å; E533-R575 PolarHBondContact OE1-NH2 3.1Å; E533-R575 IonicContact OE2-CZ 2.77Å; E533-R575 IonicContact OE2-NH1 3.93Å; E533-R575 PolarHBondContact OE2-NH1 2.97Å; E533-R575 IonicContact OE2-NH2 3.18Å |
| 534 | V | 91.6 | Very high | 93.9 | Very high | 53 Ų | 53 | 27.7 Ų | 27.7 | 32% | 0.321 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.7 | -42.9 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | A526 Q531 T538 | A526-V534 HydrophobicContact CB-CB 4.3Å; A526-V534 HydrophobicContact CB-CG1 4.22Å; Q531-V534 HydrophobicContact CB-CB 4.24Å; Q531-V534 HydrophobicContact CB-CG2 4.26Å; Q531-V534 PolarHBondContact O-N 3.23Å; V534-T538 WeakPolarHBondContact O-CB 3.36Å; V534-T538 PolarHBondContact O-N 3.15Å; V534-T538 VanDerWaalsContact O-N 3.16Å; V534-T538 PolarHBondContact O-OG1 3.26Å |
| 535 | A | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59 | -53.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | A526 F527 Q531 Q537 T538 Y539 | A526-A535 HydrophobicContact CB-CB 4.17Å; F527-A535 HydrophobicContact CB-CB 3.97Å; F527-A535 HydrophobicContact CD2-CB 4.37Å; Q531-A535 PolarHBondContact O-N 3.49Å; A535-Q537 PolarHBondContact O-N 3.4Å; A535-T538 PolarHBondContact O-N 3.31Å; A535-Y539 VanDerWaalsContact C-CD2 3.47Å; A535-Y539 HydrophobicContact CB-CD2 4.26Å; A535-Y539 HydrophobicContact CB-CE2 3.75Å; A535-Y539 WeakPolarHBondContact O-CD2 3.47Å; A535-Y539 PolarHBondContact O-N 2.96Å |
| 536 | Y | 94.9 | Very high | 93.6 | Very high | 35 Ų | 35 | 30 Ų | 30 | 14% | 0.137 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.3 | -51 | 177.9 | 172.3 | -107.4 | 0 | 0 | 0 | 112.9 | Y532 E533 T538 Y539 N540 S562 V566 R575 | Y532-Y536 VanDerWaalsContact O-CB 3.24Å; Y532-Y536 WeakPolarHBondContact O-CB 3.49Å; Y532-Y536 PolarHBondContact O-N 2.95Å; E533-Y536 PolarHBondContact O-N 2.73Å; Y536-T538 VanDerWaalsContact C-N 3.28Å; Y536-T538 PolarHBondContact O-N 3.44Å; Y536-Y539 PolarHBondContact O-N 3.33Å; Y536-N540 HydrophobicContact CE2-CB 4.3Å; Y536-N540 WeakPolarHBondContact O-CB 3.42Å; Y536-N540 PolarHBondContact O-N 3.3Å; Y536-S562 WeakPolarHBondContact CD2-O 3.48Å; Y536-S562 WeakPolarHBondContact CD2-OG 3.48Å; Y536-S562 WeakPolarHBondContact CE2-OG 3.15Å; Y536-V566 HydrophobicContact CD2-CG2 3.33Å; Y536-V566 HydrophobicContact CE2-CG2 3.38Å; Y536-V566 HydrophobicContact CG-CG2 3.96Å; Y536-R575 VanDerWaalsContact CE1-CZ 3.46Å |
| 537 | Q | 93.1 | Very high | 93.6 | Very high | 77 Ų | 77 | 34.8 Ų | 34.8 | 36% | 0.36 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.8 | -41.2 | -178.1 | -72.9 | 177.2 | 16.9 | 0 | 0 | 111.3 | E533 A535 N540 V541 | E533-Q537 WeakPolarHBondContact O-CB 3.21Å; E533-Q537 VanDerWaalsContact O-CG 3.27Å; E533-Q537 WeakPolarHBondContact O-CG 2.96Å; E533-Q537 PolarHBondContact O-N 2.92Å; E533-Q537 PolarHBondContact OE1-NE2 3.38Å; A535-Q537 PolarHBondContact O-N 3.4Å; Q537-N540 PolarHBondContact O-N 3.29Å; Q537-V541 PolarHBondContact O-N 2.99Å |
| 538 | T | 94.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.5 | -46.5 | -179.7 | -47.4 | 0 | 0 | 0 | 0 | 111.6 | M519 A523 V534 A535 Y536 N540 V541 L542 | M519-T538 HydrophobicContact CB-CG2 4.04Å; M519-T538 HydrophobicContact CG-CG2 4.41Å; M519-T538 WeakPolarHBondContact O-CG2 3.43Å; A523-T538 HydrophobicContact CB-CG2 3.82Å; V534-T538 WeakPolarHBondContact O-CB 3.36Å; V534-T538 PolarHBondContact O-N 3.15Å; V534-T538 VanDerWaalsContact O-N 3.16Å; V534-T538 PolarHBondContact O-OG1 3.26Å; A535-T538 PolarHBondContact O-N 3.31Å; Y536-T538 VanDerWaalsContact C-N 3.28Å; Y536-T538 PolarHBondContact O-N 3.44Å; T538-N540 VanDerWaalsContact C-N 3.27Å; T538-N540 PolarHBondContact O-N 3.26Å; T538-V541 PolarHBondContact O-N 2.8Å; T538-L542 HydrophobicContact CG2-CD1 4.23Å; T538-L542 WeakPolarHBondContact O-CG 3.39Å; T538-L542 PolarHBondContact O-N 3.12Å |
| 539 | Y | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -33.9 | 174 | -62.1 | -55 | 0 | 0 | 0 | 113 | A523 D524 F527 A535 Y536 V541 L542 K543 M561 S565 | A523-Y539 HydrophobicContact CB-CD1 3.64Å; A523-Y539 HydrophobicContact CB-CD2 4.46Å; A523-Y539 HydrophobicContact CB-CE1 3.36Å; A523-Y539 HydrophobicContact CB-CE2 4.22Å; A523-Y539 HydrophobicContact CB-CG 4.18Å; A523-Y539 PolarHBondContact O-OH 3.05Å; D524-Y539 WeakPolarHBondContact CA-OH 3.19Å; D524-Y539 PolarHBondContact N-OH 3.33Å; D524-Y539 PolarHBondContact OD1-OH 3.5Å; F527-Y539 HydrophobicContact CD2-CE2 4.24Å; A535-Y539 VanDerWaalsContact C-CD2 3.47Å; A535-Y539 HydrophobicContact CB-CD2 4.26Å; A535-Y539 HydrophobicContact CB-CE2 3.75Å; A535-Y539 WeakPolarHBondContact O-CD2 3.47Å; A535-Y539 PolarHBondContact O-N 2.96Å; Y536-Y539 PolarHBondContact O-N 3.33Å; Y539-V541 VanDerWaalsContact C-N 3.3Å; Y539-V541 PolarHBondContact O-N 2.94Å; Y539-L542 PolarHBondContact O-N 3.06Å; Y539-K543 WeakPolarHBondContact O-CB 3.29Å; Y539-K543 PolarHBondContact O-N 3.03Å; Y539-M561 HydrophobicContact CD1-CB 4.08Å; Y539-M561 HydrophobicContact CD2-CB 3.85Å; Y539-M561 HydrophobicContact CE1-CB 3.7Å; Y539-M561 HydrophobicContact CE1-CG 4.31Å; Y539-M561 HydrophobicContact CE2-CB 3.47Å; Y539-M561 VanDerWaalsContact CE2-CB 3.47Å; Y539-M561 HydrophobicContact CG-CB 4.15Å; Y539-S565 WeakPolarHBondContact CD2-OG 3.44Å; Y539-S565 WeakPolarHBondContact CE2-OG 3.37Å |
| 540 | N | 92.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 46.8 Ų | 46.8 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -76.3 | -16.4 | -179.5 | -168.8 | 64.6 | 0 | 0 | 0 | 113.5 | Y536 Q537 T538 K543 R544 | Y536-N540 HydrophobicContact CE2-CB 4.3Å; Y536-N540 WeakPolarHBondContact O-CB 3.42Å; Y536-N540 PolarHBondContact O-N 3.3Å; Q537-N540 PolarHBondContact O-N 3.29Å; T538-N540 VanDerWaalsContact C-N 3.27Å; T538-N540 PolarHBondContact O-N 3.26Å; N540-K543 WeakPolarHBondContact OD1-CE 3.09Å; N540-K543 PolarHBondContact OD1-NZ 3.03Å; N540-R544 PolarHBondContact O-NE 2.66Å; N540-R544 VanDerWaalsContact O-NE 3.14Å |
| 541 | V | 93.4 | Very high | 93 | Very high | 47 Ų | 47 | 45 Ų | 45 | 29% | 0.285 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -77.5 | -66.2 | 161.7 | 172.9 | 0 | 0 | 0 | 0 | 108.4 | M519 Q537 T538 Y539 K543 R544 D545 | M519-V541 HydrophobicContact SD-CG1 4.4Å; Q537-V541 PolarHBondContact O-N 2.99Å; T538-V541 PolarHBondContact O-N 2.8Å; Y539-V541 VanDerWaalsContact C-N 3.3Å; Y539-V541 PolarHBondContact O-N 2.94Å; V541-K543 VanDerWaalsContact C-N 3.28Å; V541-K543 PolarHBondContact O-N 3.03Å; V541-R544 WeakPolarHBondContact O-CB 3.22Å; V541-R544 PolarHBondContact O-N 3.23Å; V541-D545 VanDerWaalsContact CG1-OD2 3.23Å; V541-D545 WeakPolarHBondContact CG1-OD2 3.34Å |
| 542 | L | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -46 | -43.2 | -176 | -76 | 171.4 | 0 | 0 | 0 | 115.3 | E516 M519 R520 T538 Y539 R544 D545 F546 A558 | E516-L542 HydrophobicContact CB-CD2 4.33Å; E516-L542 WeakPolarHBondContact O-CD2 3.34Å; M519-L542 HydrophobicContact CB-CD1 4.09Å; M519-L542 HydrophobicContact CB-CD2 3.76Å; M519-L542 HydrophobicContact CB-CG 4.09Å; M519-L542 HydrophobicContact SD-CD2 4.34Å; R520-L542 HydrophobicContact CB-CD1 3.94Å; T538-L542 HydrophobicContact CG2-CD1 4.23Å; T538-L542 WeakPolarHBondContact O-CG 3.39Å; T538-L542 PolarHBondContact O-N 3.12Å; Y539-L542 PolarHBondContact O-N 3.06Å; L542-R544 PolarHBondContact O-N 3.46Å; L542-R544 VanDerWaalsContact O-N 3.17Å; L542-D545 PolarHBondContact O-N 3.44Å; L542-D545 VanDerWaalsContact O-N 3.13Å; L542-F546 HydrophobicContact CB-CD2 4.1Å; L542-F546 HydrophobicContact CB-CE2 3.78Å; L542-F546 HydrophobicContact CB-CZ 4.42Å; L542-F546 HydrophobicContact CD1-CE2 4.44Å; L542-F546 HydrophobicContact CD2-CE1 4.43Å; L542-F546 HydrophobicContact CD2-CE2 4.06Å; L542-F546 HydrophobicContact CD2-CZ 3.83Å; L542-F546 HydrophobicContact CG-CE2 4.33Å; L542-F546 WeakPolarHBondContact O-CB 3.48Å; L542-F546 VanDerWaalsContact O-CD2 3.23Å; L542-F546 WeakPolarHBondContact O-CD2 3.44Å; L542-F546 VanDerWaalsContact O-CG 3.29Å; L542-F546 WeakPolarHBondContact O-CG 3.35Å; L542-F546 PolarHBondContact O-N 3.28Å; L542-A558 HydrophobicContact CB-CB 4.49Å |
| 543 | K | 94.4 | Very high | 92.8 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 12% | 0.122 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60 | -29.3 | -178.8 | 78.1 | -176.2 | -173 | -170.3 | 0 | 112.6 | Y539 N540 V541 Q547 H555 A558 Q559 | Y539-K543 WeakPolarHBondContact O-CB 3.29Å; Y539-K543 PolarHBondContact O-N 3.03Å; N540-K543 WeakPolarHBondContact OD1-CE 3.09Å; N540-K543 PolarHBondContact OD1-NZ 3.03Å; V541-K543 VanDerWaalsContact C-N 3.28Å; V541-K543 PolarHBondContact O-N 3.03Å; K543-Q547 WeakPolarHBondContact O-CB 3.33Å; K543-Q547 PolarHBondContact O-N 2.61Å; K543-H555 PolarHBondContact O-CE1 3.43Å; K543-H555 VanDerWaalsContact O-CE1 3.31Å; K543-H555 PolarHBondContact O-ND1 3.3Å; K543-A558 HydrophobicContact CB-CB 3.73Å; K543-Q559 HydrophobicContact CB-CG 4.49Å; K543-Q559 HydrophobicContact CD-CG 4.39Å |
| 544 | R | 92.2 | Very high | 92.8 | Very high | 130 Ų | 130 | 47.3 Ų | 47.3 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -78.8 | -39.5 | 177.2 | -67.3 | -179.5 | -69.9 | 140.6 | 5.6 | 110.8 | N540 V541 L542 Q547 N548 | N540-R544 PolarHBondContact O-NE 2.66Å; N540-R544 VanDerWaalsContact O-NE 3.14Å; V541-R544 WeakPolarHBondContact O-CB 3.22Å; V541-R544 PolarHBondContact O-N 3.23Å; L542-R544 PolarHBondContact O-N 3.46Å; L542-R544 VanDerWaalsContact O-N 3.17Å; R544-Q547 WeakPolarHBondContact O-CB 3.47Å; R544-Q547 PolarHBondContact O-N 2.71Å; R544-Q547 VanDerWaalsContact O-N 3.13Å; R544-N548 PolarHBondContact O-N 2.89Å; R544-N548 PolarHBondContact O-ND2 3.07Å |
| 545 | D | 91.7 | Very high | 93 | Very high | 48 Ų | 48 | 45.1 Ų | 45.1 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.8 | -49.1 | 179.9 | -48.7 | -40.6 | 0 | 0 | 0 | 109.9 | V541 L542 Q547 N548 D549 | V541-D545 VanDerWaalsContact CG1-OD2 3.23Å; V541-D545 WeakPolarHBondContact CG1-OD2 3.34Å; L542-D545 PolarHBondContact O-N 3.44Å; L542-D545 VanDerWaalsContact O-N 3.13Å; D545-Q547 PolarHBondContact O-N 3.11Å; D545-Q547 VanDerWaalsContact O-N 3.15Å; D545-N548 WeakPolarHBondContact O-CB 3.45Å; D545-N548 PolarHBondContact O-N 2.97Å; D545-N548 VanDerWaalsContact O-N 3.09Å; D545-D549 PolarHBondContact O-N 3.49Å |
| 546 | F | 94.1 | Very high | 93 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -24.4 | 170.4 | -61.5 | -37.3 | 0 | 0 | 0 | 114.1 | Y510 E516 L542 S550 A551 H554 H555 A558 | Y510-F546 HydrophobicContact CD2-CE1 4.18Å; Y510-F546 HydrophobicContact CE1-CD1 4.41Å; Y510-F546 HydrophobicContact CE1-CE1 4.22Å; Y510-F546 AromaticContact CE2-CD1 3.78Å; Y510-F546 HydrophobicContact CE2-CD1 3.78Å; Y510-F546 AromaticContact CE2-CE1 3.7Å; Y510-F546 HydrophobicContact CE2-CE1 3.7Å; Y510-F546 AromaticContact CZ-CD1 3.64Å; Y510-F546 AromaticContact CZ-CE1 3.74Å; Y510-F546 WeakPolarHBondContact OH-CD1 3.37Å; E516-F546 HydrophobicContact CB-CE1 3.9Å; E516-F546 HydrophobicContact CB-CZ 4.46Å; L542-F546 HydrophobicContact CB-CD2 4.1Å; L542-F546 HydrophobicContact CB-CE2 3.78Å; L542-F546 HydrophobicContact CB-CZ 4.42Å; L542-F546 HydrophobicContact CD1-CE2 4.44Å; L542-F546 HydrophobicContact CD2-CE1 4.43Å; L542-F546 HydrophobicContact CD2-CE2 4.06Å; L542-F546 HydrophobicContact CD2-CZ 3.83Å; L542-F546 HydrophobicContact CG-CE2 4.33Å; L542-F546 WeakPolarHBondContact O-CB 3.48Å; L542-F546 VanDerWaalsContact O-CD2 3.23Å; L542-F546 WeakPolarHBondContact O-CD2 3.44Å; L542-F546 VanDerWaalsContact O-CG 3.29Å; L542-F546 WeakPolarHBondContact O-CG 3.35Å; L542-F546 PolarHBondContact O-N 3.28Å; F546-S550 PolarHBondContact O-N 3.37Å; F546-A551 HydrophobicContact CB-CB 4.36Å; F546-A551 HydrophobicContact CD1-CB 4.47Å; F546-A551 PolarHBondContact O-N 3.27Å; F546-H554 HydrophobicContact CB-CB 4.25Å; F546-H554 HydrophobicContact CD1-CB 3.72Å; F546-H554 VanDerWaalsContact CD2-C 3.46Å; F546-H554 HydrophobicContact CD2-CB 3.63Å; F546-H554 VanDerWaalsContact CD2-O 3.31Å; F546-H554 WeakPolarHBondContact CD2-O 3.26Å; F546-H554 HydrophobicContact CE1-CB 3.84Å; F546-H554 HydrophobicContact CE2-CB 3.76Å; F546-H554 HydrophobicContact CG-CB 3.62Å; F546-H554 HydrophobicContact CZ-CB 3.86Å; F546-H555 HydrophobicContact CB-CB 3.99Å; F546-A558 HydrophobicContact CD2-CB 3.95Å; F546-A558 HydrophobicContact CE2-CB 4.19Å |
| 547 | Q | 93.3 | Very high | 93 | Very high | 99 Ų | 99 | 43.4 Ų | 43.4 | 46% | 0.463 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -76.7 | -43.3 | 174 | -165.3 | 176.3 | -8.9 | 0 | 0 | 111.6 | K543 R544 D545 D549 S550 W552 H555 | K543-Q547 WeakPolarHBondContact O-CB 3.33Å; K543-Q547 PolarHBondContact O-N 2.61Å; R544-Q547 WeakPolarHBondContact O-CB 3.47Å; R544-Q547 PolarHBondContact O-N 2.71Å; R544-Q547 VanDerWaalsContact O-N 3.13Å; D545-Q547 PolarHBondContact O-N 3.11Å; D545-Q547 VanDerWaalsContact O-N 3.15Å; Q547-D549 VanDerWaalsContact C-N 3.3Å; Q547-D549 PolarHBondContact O-N 3.33Å; Q547-S550 PolarHBondContact O-N 3.05Å; Q547-S550 VanDerWaalsContact O-N 3.09Å; Q547-W552 HydrophobicContact CG-CH2 4.48Å; Q547-W552 HydrophobicContact CG-CZ3 4.33Å; Q547-H555 PolarHBondContact OE1-CE1 3.35Å |
| 548 | N | 92.3 | Very high | 93.1 | Very high | 126 Ų | 126 | 39.8 Ų | 39.8 | 67% | 0.674 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -62.1 | -41.4 | 177.4 | -62.1 | -31.4 | 0 | 0 | 0 | 110.8 | R544 D545 S550 | R544-N548 PolarHBondContact O-N 2.89Å; R544-N548 PolarHBondContact O-ND2 3.07Å; D545-N548 WeakPolarHBondContact O-CB 3.45Å; D545-N548 PolarHBondContact O-N 2.97Å; D545-N548 VanDerWaalsContact O-N 3.09Å; N548-S550 PolarHBondContact O-N 3.05Å |
| 549 | D | 90.2 | Very high | 93.2 | Very high | 71 Ų | 71 | 40 Ų | 40 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.8 | 175.9 | -68.6 | -7.8 | 0 | 0 | 0 | 112.8 | I508 Y510 D545 Q547 A551 | I508-D549 HydrophobicContact CD1-CB 4.04Å; I508-D549 WeakPolarHBondContact CD1-O 3.44Å; Y510-D549 WeakPolarHBondContact OH-CB 3.29Å; Y510-D549 PolarHBondContact OH-OD2 2.87Å; D545-D549 PolarHBondContact O-N 3.49Å; Q547-D549 VanDerWaalsContact C-N 3.3Å; Q547-D549 PolarHBondContact O-N 3.33Å; D549-A551 VanDerWaalsContact C-N 3.26Å; D549-A551 HydrophobicContact CB-CB 4.27Å |
| 550 | S | 90.7 | Very high | 93.2 | Very high | 66 Ų | 66 | 40 Ų | 40 | 46% | 0.462 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 27.2 | -167.2 | -52.7 | 0 | 0 | 0 | 0 | 114.3 | F546 Q547 N548 W552 | F546-S550 PolarHBondContact O-N 3.37Å; Q547-S550 PolarHBondContact O-N 3.05Å; Q547-S550 VanDerWaalsContact O-N 3.09Å; N548-S550 PolarHBondContact O-N 3.05Å; S550-W552 PolarHBondContact O-N 3.46Å; S550-W552 PolarHBondContact O-NE1 3.35Å |
| 551 | A | 90.5 | Very high | 93.4 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | trans | -79.8 | 65 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I508 Y510 F546 D549 L553 H554 H555 | I508-A551 HydrophobicContact CB-CB 4.21Å; I508-A551 HydrophobicContact CD1-CB 4.3Å; I508-A551 HydrophobicContact CG2-CB 4.49Å; Y510-A551 HydrophobicContact CE2-CB 3.71Å; Y510-A551 VanDerWaalsContact OH-CB 3.27Å; Y510-A551 WeakPolarHBondContact OH-CB 3.47Å; F546-A551 HydrophobicContact CB-CB 4.36Å; F546-A551 HydrophobicContact CD1-CB 4.47Å; F546-A551 PolarHBondContact O-N 3.27Å; D549-A551 VanDerWaalsContact C-N 3.26Å; D549-A551 HydrophobicContact CB-CB 4.27Å; A551-L553 VanDerWaalsContact C-N 3.32Å; A551-L553 PolarHBondContact O-N 2.89Å; A551-L553 VanDerWaalsContact O-N 3.12Å; A551-H554 HydrophobicContact CB-CB 4.36Å; A551-H554 PolarHBondContact O-N 3.3Å; A551-H555 PolarHBondContact O-N 2.88Å | ||
| 552 | W | 91.7 | Very high | 93.5 | Very high | 90 Ų | 90 | 35.6 Ų | 35.6 | 34% | 0.341 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -54.8 | -35.5 | -164.9 | -61.3 | 112.1 | 0 | 0 | 0 | 116.2 | Q547 S550 H555 A556 T588 S592 | Q547-W552 HydrophobicContact CG-CH2 4.48Å; Q547-W552 HydrophobicContact CG-CZ3 4.33Å; S550-W552 PolarHBondContact O-N 3.46Å; S550-W552 PolarHBondContact O-NE1 3.35Å; W552-H555 WeakPolarHBondContact O-CB 3.25Å; W552-H555 PolarHBondContact O-N 3.22Å; W552-A556 WeakPolarHBondContact O-CB 3.48Å; W552-A556 PolarHBondContact O-N 3.14Å; W552-T588 HydrophobicContact CB-CG2 3.9Å; W552-T588 HydrophobicContact CE3-CG2 4.31Å; W552-T588 WeakPolarHBondContact O-CG2 3.46Å; W552-S592 WeakPolarHBondContact CB-OG 3.23Å |
| 553 | L | 91 | Very high | 93.6 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 13% | 0.131 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.8 | -47.1 | 176.1 | -178.2 | 68.7 | 0 | 0 | 0 | 111.6 | H139 A551 H555 A556 G557 Y589 L598 | H139-L553 HydrophobicContact CB-CD2 3.99Å; H139-L553 HydrophobicContact CB-CG 3.88Å; H139-L553 PolarHBondContact CD2-O 3.33Å; H139-L553 VanDerWaalsContact CD2-O 3.29Å; A551-L553 VanDerWaalsContact C-N 3.32Å; A551-L553 PolarHBondContact O-N 2.89Å; A551-L553 VanDerWaalsContact O-N 3.12Å; L553-H555 VanDerWaalsContact C-N 3.34Å; L553-A556 PolarHBondContact O-N 3.16Å; L553-G557 PolarHBondContact O-N 3.36Å; L553-G557 VanDerWaalsContact O-N 3.08Å; L553-Y589 HydrophobicContact CD1-CD1 4.1Å; L553-Y589 HydrophobicContact CD1-CE1 3.83Å; L553-L598 HydrophobicContact CD1-CD1 3.93Å |
| 554 | H | 92.2 | Very high | 93.6 | Very high | 31 Ų | 31 | 34.2 Ų | 34.2 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 176.6 | -61.7 | -90.2 | 0 | 0 | 0 | 111.5 | H139 Y510 F546 A551 A558 | H139-H554 WeakPolarHBondContact CB-ND1 3.46Å; Y510-H554 AromaticContact CD2-CD2 3.88Å; Y510-H554 AromaticContact CD2-CE1 3.83Å; Y510-H554 AromaticContact CD2-NE2 3.76Å; Y510-H554 HydrophobicContact CE2-CB 4.44Å; Y510-H554 AromaticContact CE2-CD2 3.79Å; Y510-H554 AromaticContact CE2-CG 3.97Å; F546-H554 HydrophobicContact CB-CB 4.25Å; F546-H554 HydrophobicContact CD1-CB 3.72Å; F546-H554 VanDerWaalsContact CD2-C 3.46Å; F546-H554 HydrophobicContact CD2-CB 3.63Å; F546-H554 VanDerWaalsContact CD2-O 3.31Å; F546-H554 WeakPolarHBondContact CD2-O 3.26Å; F546-H554 HydrophobicContact CE1-CB 3.84Å; F546-H554 HydrophobicContact CE2-CB 3.76Å; F546-H554 HydrophobicContact CG-CB 3.62Å; F546-H554 HydrophobicContact CZ-CB 3.86Å; A551-H554 HydrophobicContact CB-CB 4.36Å; A551-H554 PolarHBondContact O-N 3.3Å; H554-A558 VanDerWaalsContact O-CB 3.29Å; H554-A558 WeakPolarHBondContact O-CB 3.26Å; H554-A558 PolarHBondContact O-N 2.9Å |
| 555 | H | 94.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.032 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.1 | -51.2 | 172.8 | -179.8 | 76.7 | 0 | 0 | 0 | 112.1 | K543 F546 Q547 A551 W552 L553 A558 Q559 | K543-H555 PolarHBondContact O-CE1 3.43Å; K543-H555 VanDerWaalsContact O-CE1 3.31Å; K543-H555 PolarHBondContact O-ND1 3.3Å; F546-H555 HydrophobicContact CB-CB 3.99Å; Q547-H555 PolarHBondContact OE1-CE1 3.35Å; A551-H555 PolarHBondContact O-N 2.88Å; W552-H555 WeakPolarHBondContact O-CB 3.25Å; W552-H555 PolarHBondContact O-N 3.22Å; L553-H555 VanDerWaalsContact C-N 3.34Å; H555-A558 PolarHBondContact O-N 2.71Å; H555-Q559 PolarHBondContact NE2-NE2 3.25Å; H555-Q559 WeakPolarHBondContact O-CG 3.36Å; H555-Q559 PolarHBondContact O-N 3.25Å |
| 556 | A | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | W552 L553 A558 Q559 E560 A585 T588 Y589 | W552-A556 WeakPolarHBondContact O-CB 3.48Å; W552-A556 PolarHBondContact O-N 3.14Å; L553-A556 PolarHBondContact O-N 3.16Å; A556-A558 VanDerWaalsContact C-N 3.28Å; A556-A558 PolarHBondContact O-N 3.23Å; A556-Q559 WeakPolarHBondContact O-CB 3.11Å; A556-Q559 PolarHBondContact O-N 3.29Å; A556-Q559 VanDerWaalsContact O-N 3.14Å; A556-E560 PolarHBondContact O-N 3.26Å; A556-A585 HydrophobicContact CB-CB 4.42Å; A556-A585 WeakPolarHBondContact O-CB 3.42Å; A556-T588 HydrophobicContact CB-CG2 3.9Å; A556-Y589 HydrophobicContact CB-CD1 3.77Å; A556-Y589 HydrophobicContact CB-CD2 4.16Å; A556-Y589 HydrophobicContact CB-CE1 3.57Å; A556-Y589 HydrophobicContact CB-CE2 4Å; A556-Y589 HydrophobicContact CB-CG 4.06Å |
| 557 | G | 94.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.6 | -25.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | R520 L553 M561 Y589 | R520-G557 PolarHBondContact NH1-O 2.93Å; L553-G557 PolarHBondContact O-N 3.36Å; L553-G557 VanDerWaalsContact O-N 3.08Å; G557-M561 WeakPolarHBondContact O-CG 3.02Å; G557-M561 PolarHBondContact O-N 3.4Å; G557-Y589 WeakPolarHBondContact CA-OH 3.4Å; G557-Y589 PolarHBondContact N-OH 3.18Å |
| 558 | A | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -76 | -35.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L542 K543 F546 H554 H555 A556 S562 | L542-A558 HydrophobicContact CB-CB 4.49Å; K543-A558 HydrophobicContact CB-CB 3.73Å; F546-A558 HydrophobicContact CD2-CB 3.95Å; F546-A558 HydrophobicContact CE2-CB 4.19Å; H554-A558 VanDerWaalsContact O-CB 3.29Å; H554-A558 WeakPolarHBondContact O-CB 3.26Å; H554-A558 PolarHBondContact O-N 2.9Å; H555-A558 PolarHBondContact O-N 2.71Å; A556-A558 VanDerWaalsContact C-N 3.28Å; A556-A558 PolarHBondContact O-N 3.23Å; A558-S562 WeakPolarHBondContact O-CB 3.38Å; A558-S562 PolarHBondContact O-N 2.61Å |
| 559 | Q | 95.7 | Very high | 93.9 | Very high | 17 Ų | 17 | 17.4 Ų | 17.4 | 8% | 0.079 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.1 | -48 | 172.4 | -73.6 | -176.6 | -18.4 | 0 | 0 | 112.4 | K543 H555 A556 S562 A563 S584 A585 | K543-Q559 HydrophobicContact CB-CG 4.49Å; K543-Q559 HydrophobicContact CD-CG 4.39Å; H555-Q559 PolarHBondContact NE2-NE2 3.25Å; H555-Q559 WeakPolarHBondContact O-CG 3.36Å; H555-Q559 PolarHBondContact O-N 3.25Å; A556-Q559 WeakPolarHBondContact O-CB 3.11Å; A556-Q559 PolarHBondContact O-N 3.29Å; A556-Q559 VanDerWaalsContact O-N 3.14Å; Q559-S562 PolarHBondContact O-N 3.49Å; Q559-A563 PolarHBondContact O-N 3.09Å; Q559-S584 VanDerWaalsContact OE1-C 3.27Å; Q559-A585 HydrophobicContact CB-CB 3.95Å |
| 560 | E | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -52.8 | -57.2 | 176.4 | 175.2 | 177.9 | -150.5 | 0 | 0 | 110.9 | A556 S562 A563 L564 M582 A585 Y589 R601 S602 | A556-E560 PolarHBondContact O-N 3.26Å; E560-S562 PolarHBondContact O-N 3.47Å; E560-A563 PolarHBondContact O-N 3.01Å; E560-L564 HydrophobicContact CG-CD1 4.06Å; E560-L564 WeakPolarHBondContact O-CG 3.33Å; E560-L564 PolarHBondContact O-N 3.24Å; E560-L564 VanDerWaalsContact O-N 3.08Å; E560-M582 HydrophobicContact CB-CE 4.46Å; E560-M582 HydrophobicContact CB-SD 4.12Å; E560-M582 HydrophobicContact CG-CE 3.88Å; E560-M582 HydrophobicContact CG-SD 3.84Å; E560-A585 HydrophobicContact CB-CB 4.21Å; E560-Y589 PolarHBondContact OE2-OH 3.1Å; E560-R601 IonicContact OE1-CZ 3.68Å; E560-R601 IonicContact OE1-NE 3.67Å; E560-R601 PolarHBondContact OE1-NE 3.42Å; E560-R601 IonicContact OE1-NH2 3.27Å; E560-R601 PolarHBondContact OE1-NH2 3.48Å; E560-R601 IonicContact OE2-CZ 3.52Å; E560-R601 IonicContact OE2-NE 2.92Å; E560-R601 IonicContact OE2-NH2 3.65Å; E560-R601 PolarHBondContact OE2-NH2 2.83Å; E560-S602 WeakPolarHBondContact OE1-CA 3.46Å; E560-S602 PolarHBondContact OE1-OG 2.92Å; E560-S602 PolarHBondContact OE2-OG 2.91Å |
| 561 | M | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.3 | -29.3 | -177.6 | -60.7 | -60 | -71.2 | 0 | 0 | 112.9 | F16 N142 F527 Y539 G557 L564 S565 | F16-M561 HydrophobicContact CE1-SD 4.2Å; F16-M561 HydrophobicContact CE2-SD 4.29Å; F16-M561 HydrophobicContact CZ-SD 3.96Å; N142-M561 HydrophobicContact CB-CE 4.49Å; F527-M561 HydrophobicContact CB-CE 4.41Å; F527-M561 HydrophobicContact CD1-CE 3.52Å; F527-M561 HydrophobicContact CD2-CE 3.8Å; F527-M561 HydrophobicContact CE1-CE 3.56Å; F527-M561 HydrophobicContact CE2-CE 3.82Å; F527-M561 HydrophobicContact CG-CE 3.65Å; F527-M561 HydrophobicContact CZ-CE 3.69Å; Y539-M561 HydrophobicContact CD1-CB 4.08Å; Y539-M561 HydrophobicContact CD2-CB 3.85Å; Y539-M561 HydrophobicContact CE1-CB 3.7Å; Y539-M561 HydrophobicContact CE1-CG 4.31Å; Y539-M561 HydrophobicContact CE2-CB 3.47Å; Y539-M561 VanDerWaalsContact CE2-CB 3.47Å; Y539-M561 HydrophobicContact CG-CB 4.15Å; G557-M561 WeakPolarHBondContact O-CG 3.02Å; G557-M561 PolarHBondContact O-N 3.4Å; M561-L564 PolarHBondContact O-N 3.15Å; M561-L564 HydrophobicContact SD-CD1 4Å; M561-S565 VanDerWaalsContact O-CB 3.28Å; M561-S565 WeakPolarHBondContact O-CB 3.38Å; M561-S565 PolarHBondContact O-N 3.27Å; M561-S565 PolarHBondContact O-OG 2.96Å |
| 562 | S | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 171 | -176 | 0 | 0 | 0 | 0 | 111.3 | Y536 A558 Q559 E560 S565 V566 | Y536-S562 WeakPolarHBondContact CD2-O 3.48Å; Y536-S562 WeakPolarHBondContact CD2-OG 3.48Å; Y536-S562 WeakPolarHBondContact CE2-OG 3.15Å; A558-S562 WeakPolarHBondContact O-CB 3.38Å; A558-S562 PolarHBondContact O-N 2.61Å; Q559-S562 PolarHBondContact O-N 3.49Å; E560-S562 PolarHBondContact O-N 3.47Å; S562-S565 PolarHBondContact O-N 3.44Å; S562-V566 PolarHBondContact O-N 2.91Å |
| 563 | A | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q559 E560 S565 V566 Y567 Y577 P578 L581 M582 | Q559-A563 PolarHBondContact O-N 3.09Å; E560-A563 PolarHBondContact O-N 3.01Å; A563-S565 VanDerWaalsContact C-N 3.31Å; A563-S565 PolarHBondContact O-N 3.11Å; A563-V566 PolarHBondContact O-N 3.38Å; A563-Y567 PolarHBondContact O-N 3.43Å; A563-Y567 VanDerWaalsContact O-N 3.07Å; A563-Y577 HydrophobicContact CB-CE2 4.06Å; A563-Y577 WeakPolarHBondContact O-CE2 3.21Å; A563-P578 HydrophobicContact CB-CG 4.43Å; A563-L581 HydrophobicContact CB-CB 4.16Å; A563-M582 HydrophobicContact CB-CB 4.21Å; A563-M582 HydrophobicContact CB-CE 4.33Å |
| 564 | L | 95.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -36.5 | 179.5 | -64.6 | 167.3 | 0 | 0 | 0 | 112.3 | I12 F16 F527 E560 M561 V566 Y567 L568 M582 L605 | I12-L564 HydrophobicContact CD1-CD2 3.92Å; I12-L564 HydrophobicContact CG1-CD2 4.35Å; I12-L564 HydrophobicContact CG2-CD2 4.33Å; F16-L564 HydrophobicContact CE2-CD1 3.82Å; F16-L564 HydrophobicContact CZ-CD1 4.35Å; F527-L564 HydrophobicContact CE2-CB 3.99Å; F527-L564 HydrophobicContact CZ-CB 4.05Å; E560-L564 HydrophobicContact CG-CD1 4.06Å; E560-L564 WeakPolarHBondContact O-CG 3.33Å; E560-L564 PolarHBondContact O-N 3.24Å; E560-L564 VanDerWaalsContact O-N 3.08Å; M561-L564 PolarHBondContact O-N 3.15Å; M561-L564 HydrophobicContact SD-CD1 4Å; L564-V566 VanDerWaalsContact C-N 3.32Å; L564-V566 PolarHBondContact O-N 3.43Å; L564-Y567 WeakPolarHBondContact O-CB 3.14Å; L564-Y567 PolarHBondContact O-N 3.41Å; L564-Y567 VanDerWaalsContact O-N 3.13Å; L564-L568 WeakPolarHBondContact O-CG 2.97Å; L564-L568 PolarHBondContact O-N 2.82Å; L564-M582 HydrophobicContact CD1-CE 3.92Å; L564-M582 HydrophobicContact CD2-CE 3.71Å; L564-M582 HydrophobicContact CG-CE 3.55Å; L564-L605 HydrophobicContact CD1-CD1 4.05Å; L564-L605 HydrophobicContact CD2-CB 4.09Å |
| 565 | S | 95.4 | Very high | 90 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 175.6 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | F527 Y532 Y539 M561 S562 A563 Q569 | F527-S565 WeakPolarHBondContact CD2-OG 3.38Å; Y532-S565 WeakPolarHBondContact O-CB 3.14Å; Y539-S565 WeakPolarHBondContact CD2-OG 3.44Å; Y539-S565 WeakPolarHBondContact CE2-OG 3.37Å; M561-S565 VanDerWaalsContact O-CB 3.28Å; M561-S565 WeakPolarHBondContact O-CB 3.38Å; M561-S565 PolarHBondContact O-N 3.27Å; M561-S565 PolarHBondContact O-OG 2.96Å; S562-S565 PolarHBondContact O-N 3.44Å; A563-S565 VanDerWaalsContact C-N 3.31Å; A563-S565 PolarHBondContact O-N 3.11Å; S565-Q569 WeakPolarHBondContact O-CG 3.27Å; S565-Q569 PolarHBondContact O-N 3.29Å |
| 566 | V | 94.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.5 | -35.6 | 174.3 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | Y536 S562 A563 L564 R575 P578 | Y536-V566 HydrophobicContact CD2-CG2 3.33Å; Y536-V566 HydrophobicContact CE2-CG2 3.38Å; Y536-V566 HydrophobicContact CG-CG2 3.96Å; S562-V566 PolarHBondContact O-N 2.91Å; A563-V566 PolarHBondContact O-N 3.38Å; L564-V566 VanDerWaalsContact C-N 3.32Å; L564-V566 PolarHBondContact O-N 3.43Å; V566-R575 HydrophobicContact CG1-CB 3.71Å; V566-P578 HydrophobicContact CB-CG 4.23Å; V566-P578 HydrophobicContact CG2-CG 4.23Å |
| 567 | Y | 94.4 | Very high | 89.5 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -49.7 | 176.9 | 175.7 | -98.6 | 0 | 0 | 0 | 112.3 | E9 I12 A563 L564 Q569 G570 Y577 A609 S612 R613 | E9-Y567 HydrophobicContact CB-CE1 4.45Å; I12-Y567 HydrophobicContact CD1-CD1 3.5Å; I12-Y567 HydrophobicContact CD1-CE1 3.54Å; I12-Y567 HydrophobicContact CD1-CG 4.48Å; A563-Y567 PolarHBondContact O-N 3.43Å; A563-Y567 VanDerWaalsContact O-N 3.07Å; L564-Y567 WeakPolarHBondContact O-CB 3.14Å; L564-Y567 PolarHBondContact O-N 3.41Å; L564-Y567 VanDerWaalsContact O-N 3.13Å; Y567-Q569 VanDerWaalsContact C-N 3.32Å; Y567-Q569 PolarHBondContact O-N 2.87Å; Y567-G570 PolarHBondContact O-N 3.02Å; Y567-Y577 HydrophobicContact CD2-CD2 4.27Å; Y567-Y577 HydrophobicContact CD2-CG 4.36Å; Y567-Y577 HydrophobicContact CG-CD2 4.39Å; Y567-A609 HydrophobicContact CD1-CB 4.39Å; Y567-A609 HydrophobicContact CD2-CB 3.54Å; Y567-A609 VanDerWaalsContact CE2-CA 3.48Å; Y567-A609 HydrophobicContact CE2-CB 3.72Å; Y567-A609 HydrophobicContact CG-CB 3.91Å; Y567-S612 WeakPolarHBondContact OH-CB 3.35Å; Y567-S612 PolarHBondContact OH-OG 3.48Å; Y567-R613 HydrophobicContact CD2-CG 4.46Å; Y567-R613 HydrophobicContact CE2-CG 4.14Å; Y567-R613 PolarHBondContact O-NH2 2.87Å |
| 568 | L | 93.8 | Very high | 89.3 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75 | -15.8 | -173.2 | -64.4 | 173.3 | 0 | 0 | 0 | 114.1 | E9 I12 F527 Y532 L564 G570 | E9-L568 HydrophobicContact CB-CD2 4.29Å; E9-L568 HydrophobicContact CG-CD2 3.85Å; I12-L568 HydrophobicContact CB-CD2 4.25Å; I12-L568 HydrophobicContact CD1-CD2 4.32Å; I12-L568 HydrophobicContact CG2-CD1 3.83Å; I12-L568 HydrophobicContact CG2-CD2 4.27Å; I12-L568 HydrophobicContact CG2-CG 4.41Å; F527-L568 HydrophobicContact CE1-CD1 4.15Å; F527-L568 HydrophobicContact CE2-CD1 3.84Å; F527-L568 HydrophobicContact CZ-CD1 3.42Å; F527-L568 VanDerWaalsContact CZ-CD1 3.42Å; Y532-L568 HydrophobicContact CD1-CB 3.91Å; Y532-L568 HydrophobicContact CD1-CD1 3.91Å; Y532-L568 HydrophobicContact CD2-CB 3.72Å; Y532-L568 HydrophobicContact CE1-CB 3.82Å; Y532-L568 HydrophobicContact CE1-CD1 3.33Å; Y532-L568 HydrophobicContact CE1-CG 4.2Å; Y532-L568 HydrophobicContact CE2-CB 3.63Å; Y532-L568 HydrophobicContact CE2-CD1 4.49Å; Y532-L568 HydrophobicContact CG-CB 3.85Å; L564-L568 WeakPolarHBondContact O-CG 2.97Å; L564-L568 PolarHBondContact O-N 2.82Å; L568-G570 PolarHBondContact O-N 3.25Å; L568-G570 VanDerWaalsContact O-N 3.17Å |
| 569 | Q | 91.5 | Very high | 89.2 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15.3 | 164 | -69.5 | 168.5 | 20.5 | 0 | 0 | 112.5 | Y532 E533 S565 Y567 A571 T572 S573 | Y532-Q569 PolarHBondContact O-NE2 3.01Å; E533-Q569 PolarHBondContact OE2-NE2 3.47Å; S565-Q569 WeakPolarHBondContact O-CG 3.27Å; S565-Q569 PolarHBondContact O-N 3.29Å; Y567-Q569 VanDerWaalsContact C-N 3.32Å; Y567-Q569 PolarHBondContact O-N 2.87Å; Q569-A571 PolarHBondContact O-N 3.34Å; Q569-T572 PolarHBondContact O-N 3.12Å; Q569-T572 PolarHBondContact O-OG1 3.08Å; Q569-S573 PolarHBondContact OE1-OG 3.12Å |
| 570 | G | 84.1 | Confident | 89.1 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | 57.8 | -129.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y567 L568 T572 | Y567-G570 PolarHBondContact O-N 3.02Å; L568-G570 PolarHBondContact O-N 3.25Å; L568-G570 VanDerWaalsContact O-N 3.17Å; G570-T572 VanDerWaalsContact C-N 3.3Å |
| 571 | A | 73.5 | Confident | 89 | Confident | 111 Ų | 111 | 48 Ų | 48 | 92% | 0.917 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -78.6 | -6.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q569 | Q569-A571 PolarHBondContact O-N 3.34Š|
| 572 | T | 71.9 | Confident | 88.9 | Confident | 127 Ų | 127 | 48 Ų | 48 | 78% | 0.779 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -83.7 | -16.8 | 175.3 | 70.5 | 0 | 0 | 0 | 0 | 112.8 | Q569 G570 | Q569-T572 PolarHBondContact O-N 3.12Å; Q569-T572 PolarHBondContact O-OG1 3.08Å; G570-T572 VanDerWaalsContact C-N 3.3Å |
| 573 | S | 77.3 | Confident | 88.8 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 15% | 0.154 | 27% | 0.265 | C | S | . | . | trans | -81.6 | 131.7 | 175.3 | -149.1 | 0 | 0 | 0 | 0 | 111.4 | Q569 R575 | Q569-S573 PolarHBondContact OE1-OG 3.12Å; S573-R575 PolarHBondContact O-N 2.85Å; S573-R575 PolarHBondContact OG-N 2.89Å | ||
| 574 | Q | 74 | Confident | 88.7 | Confident | 204 Ų | 204 | 51.9 Ų | 51.9 | 95% | 0.953 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -74.7 | -9.5 | 161.8 | -66.5 | 177.5 | -15.9 | 0 | 0 | 112.1 | ||
| 575 | R | 82.4 | Confident | 88.6 | Confident | 94 Ų | 94 | 51.9 Ų | 51.9 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -90.2 | 132.2 | -177.4 | -52.2 | -172.3 | -166.6 | 103.1 | -3 | 110.8 | E533 Y536 V566 S573 | E533-R575 IonicContact OE1-CZ 2.64Å; E533-R575 IonicContact OE1-NH1 2.79Å; E533-R575 PolarHBondContact OE1-NH1 2.74Å; E533-R575 IonicContact OE1-NH2 2.69Å; E533-R575 PolarHBondContact OE1-NH2 3.1Å; E533-R575 IonicContact OE2-CZ 2.77Å; E533-R575 IonicContact OE2-NH1 3.93Å; E533-R575 PolarHBondContact OE2-NH1 2.97Å; E533-R575 IonicContact OE2-NH2 3.18Å; Y536-R575 VanDerWaalsContact CE1-CZ 3.46Å; V566-R575 HydrophobicContact CG1-CB 3.71Å; S573-R575 PolarHBondContact O-N 2.85Å; S573-R575 PolarHBondContact OG-N 2.89Å |
| 576 | Q | 87.1 | Confident | 88.6 | Confident | 148 Ų | 148 | 51.9 Ų | 51.9 | 69% | 0.692 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 149 | 166.1 | -175.7 | 171.6 | -8.3 | 0 | 0 | 110.1 | P578 | Q576-P578 VanDerWaalsContact O-CD 3.31Å; Q576-P578 WeakPolarHBondContact O-CD 3.11Å |
| 577 | Y | 92.5 | Very high | 88.6 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 117.3 | 177.6 | 174.3 | -125 | 0 | 0 | 0 | 111.1 | A563 Y567 Y579 N606 A609 L610 | A563-Y577 HydrophobicContact CB-CE2 4.06Å; A563-Y577 WeakPolarHBondContact O-CE2 3.21Å; Y567-Y577 HydrophobicContact CD2-CD2 4.27Å; Y567-Y577 HydrophobicContact CD2-CG 4.36Å; Y567-Y577 HydrophobicContact CG-CD2 4.39Å; Y577-Y579 VanDerWaalsContact C-N 3.3Å; Y577-Y579 PolarHBondContact O-N 3.44Å; Y577-N606 WeakPolarHBondContact CE1-OD1 3.42Å; Y577-N606 PolarHBondContact OH-OD1 2.78Å; Y577-N606 VanDerWaalsContact OH-OD1 3.11Å; Y577-A609 HydrophobicContact CD1-CB 4.26Å; Y577-A609 HydrophobicContact CE1-CB 3.61Å; Y577-A609 HydrophobicContact CE2-CB 4.21Å; Y577-L610 HydrophobicContact CD1-CD2 4.17Å; Y577-L610 HydrophobicContact CE1-CD2 4.06Å; Y577-L610 HydrophobicContact CE1-CG 4.17Å |
| 578 | P | 91.8 | Very high | 88.5 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | trans | -88 | 66.2 | -171.7 | 36.4 | -36.2 | 0 | 0 | 0 | 111 | A563 V566 Q576 H580 L581 | A563-P578 HydrophobicContact CB-CG 4.43Å; V566-P578 HydrophobicContact CB-CG 4.23Å; V566-P578 HydrophobicContact CG2-CG 4.23Å; Q576-P578 VanDerWaalsContact O-CD 3.31Å; Q576-P578 WeakPolarHBondContact O-CD 3.11Å; P578-H580 PolarHBondContact O-N 3.07Å; P578-H580 VanDerWaalsContact O-N 3.11Å; P578-L581 HydrophobicContact CB-CD1 4.05Å; P578-L581 HydrophobicContact CB-CG 4.25Å; P578-L581 HydrophobicContact CG-CD1 3.92Å; P578-L581 WeakPolarHBondContact O-CB 2.74Å; P578-L581 PolarHBondContact O-N 2.93Å | ||
| 579 | Y | 92.9 | Very high | 88.5 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 28% | 0.282 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.4 | -29.9 | -175.7 | 63.9 | -85.2 | 0 | 0 | 0 | 113.9 | Y577 L581 M582 D583 L610 E618 | Y577-Y579 VanDerWaalsContact C-N 3.3Å; Y577-Y579 PolarHBondContact O-N 3.44Å; Y579-L581 PolarHBondContact O-N 3.5Å; Y579-L581 VanDerWaalsContact O-N 3.13Å; Y579-M582 WeakPolarHBondContact O-CA 3.49Å; Y579-M582 VanDerWaalsContact O-CB 3.28Å; Y579-M582 WeakPolarHBondContact O-CB 3.44Å; Y579-M582 PolarHBondContact O-N 3.16Å; Y579-D583 WeakPolarHBondContact CD2-OD2 3.49Å; Y579-D583 PolarHBondContact O-N 3.28Å; Y579-L610 HydrophobicContact CD1-CD2 4.38Å; Y579-L610 HydrophobicContact CG-CD2 4.05Å; Y579-E618 HydrophobicContact CE2-CG 4.07Å |
| 580 | H | 93.3 | Very high | 88.4 | Confident | 111 Ų | 111 | 54.6 Ų | 54.6 | 51% | 0.514 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.5 | -29.5 | 173.5 | 68.4 | -97 | 0 | 0 | 0 | 114.1 | P578 S584 | P578-H580 PolarHBondContact O-N 3.07Å; P578-H580 VanDerWaalsContact O-N 3.11Å; H580-S584 WeakPolarHBondContact O-CB 3.09Å; H580-S584 PolarHBondContact O-N 2.9Å; H580-S584 PolarHBondContact O-OG 3.32Å |
| 581 | L | 94.1 | Very high | 88.6 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.6 | -37.2 | 173.6 | -65.4 | 179.7 | 0 | 0 | 0 | 111.1 | A563 P578 Y579 S584 A585 | A563-L581 HydrophobicContact CB-CB 4.16Å; P578-L581 HydrophobicContact CB-CD1 4.05Å; P578-L581 HydrophobicContact CB-CG 4.25Å; P578-L581 HydrophobicContact CG-CD1 3.92Å; P578-L581 WeakPolarHBondContact O-CB 2.74Å; P578-L581 PolarHBondContact O-N 2.93Å; Y579-L581 PolarHBondContact O-N 3.5Å; Y579-L581 VanDerWaalsContact O-N 3.13Å; L581-S584 WeakPolarHBondContact O-CB 3.36Å; L581-S584 PolarHBondContact O-N 3.34Å; L581-A585 PolarHBondContact O-N 3.33Å |
| 582 | M | 94.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.2 | -38.3 | 176.7 | -171.5 | 61.7 | 85.8 | 0 | 0 | 111.3 | E560 A563 L564 Y579 S584 A585 V586 L605 N606 | E560-M582 HydrophobicContact CB-CE 4.46Å; E560-M582 HydrophobicContact CB-SD 4.12Å; E560-M582 HydrophobicContact CG-CE 3.88Å; E560-M582 HydrophobicContact CG-SD 3.84Å; A563-M582 HydrophobicContact CB-CB 4.21Å; A563-M582 HydrophobicContact CB-CE 4.33Å; L564-M582 HydrophobicContact CD1-CE 3.92Å; L564-M582 HydrophobicContact CD2-CE 3.71Å; L564-M582 HydrophobicContact CG-CE 3.55Å; Y579-M582 WeakPolarHBondContact O-CA 3.49Å; Y579-M582 VanDerWaalsContact O-CB 3.28Å; Y579-M582 WeakPolarHBondContact O-CB 3.44Å; Y579-M582 PolarHBondContact O-N 3.16Å; M582-S584 VanDerWaalsContact C-N 3.34Å; M582-A585 PolarHBondContact O-N 2.93Å; M582-V586 VanDerWaalsContact O-CG2 3.28Å; M582-V586 WeakPolarHBondContact O-CG2 3.4Å; M582-V586 PolarHBondContact O-N 2.91Å; M582-L605 HydrophobicContact CE-CB 4.49Å; M582-N606 HydrophobicContact CB-CB 4.44Å; M582-N606 HydrophobicContact CG-CB 3.5Å; M582-N606 VanDerWaalsContact CG-CB 3.5Å; M582-N606 VanDerWaalsContact CG-CG 3.49Å |
| 583 | D | 94 | Very high | 88.7 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.5 | -34.6 | 173.2 | -67.7 | -53.6 | 0 | 0 | 0 | 112.6 | Y579 A587 N606 R625 | Y579-D583 WeakPolarHBondContact CD2-OD2 3.49Å; Y579-D583 PolarHBondContact O-N 3.28Å; D583-A587 WeakPolarHBondContact O-CB 3.31Å; D583-A587 PolarHBondContact O-N 3.16Å; D583-N606 PolarHBondContact OD1-ND2 2.93Å; D583-R625 IonicContact OD1-CZ 3.84Å; D583-R625 IonicContact OD1-NH1 3.77Å; D583-R625 PolarHBondContact OD1-NH1 2.92Å; D583-R625 IonicContact OD1-NH2 2.71Å; D583-R625 PolarHBondContact OD1-NH2 3.41Å |
| 584 | S | 93.3 | Very high | 88.7 | Confident | 48 Ų | 48 | 61.8 Ų | 61.8 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 170.2 | -58 | 0 | 0 | 0 | 0 | 111 | Q559 H580 L581 M582 V586 A587 T588 | Q559-S584 VanDerWaalsContact OE1-C 3.27Å; H580-S584 WeakPolarHBondContact O-CB 3.09Å; H580-S584 PolarHBondContact O-N 2.9Å; H580-S584 PolarHBondContact O-OG 3.32Å; L581-S584 WeakPolarHBondContact O-CB 3.36Å; L581-S584 PolarHBondContact O-N 3.34Å; M582-S584 VanDerWaalsContact C-N 3.34Å; S584-V586 VanDerWaalsContact C-N 3.35Å; S584-V586 PolarHBondContact O-N 3.18Å; S584-A587 WeakPolarHBondContact O-CB 3.22Å; S584-A587 PolarHBondContact O-N 3.49Å; S584-A587 VanDerWaalsContact O-N 3.12Å; S584-T588 PolarHBondContact O-N 2.82Å; S584-T588 PolarHBondContact O-OG1 3.45Å; S584-T588 VanDerWaalsContact O-OG1 3.14Å |
| 585 | A | 95.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A556 Q559 E560 L581 M582 A587 T588 Y589 | A556-A585 HydrophobicContact CB-CB 4.42Å; A556-A585 WeakPolarHBondContact O-CB 3.42Å; Q559-A585 HydrophobicContact CB-CB 3.95Å; E560-A585 HydrophobicContact CB-CB 4.21Å; L581-A585 PolarHBondContact O-N 3.33Å; M582-A585 PolarHBondContact O-N 2.93Å; A585-A587 PolarHBondContact O-N 3.46Å; A585-T588 PolarHBondContact O-N 3.3Å; A585-Y589 HydrophobicContact CB-CE2 4.32Å; A585-Y589 WeakPolarHBondContact O-CD2 3.01Å; A585-Y589 PolarHBondContact O-N 3.38Å |
| 586 | V | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | M582 S584 L590 A599 T603 R625 L626 | M582-V586 VanDerWaalsContact O-CG2 3.28Å; M582-V586 WeakPolarHBondContact O-CG2 3.4Å; M582-V586 PolarHBondContact O-N 2.91Å; S584-V586 VanDerWaalsContact C-N 3.35Å; S584-V586 PolarHBondContact O-N 3.18Å; V586-L590 HydrophobicContact CG1-CD1 4.08Å; V586-L590 VanDerWaalsContact O-CG 3.3Å; V586-L590 WeakPolarHBondContact O-CG 3.48Å; V586-L590 PolarHBondContact O-N 3.41Å; V586-L590 VanDerWaalsContact O-N 3.16Å; V586-A599 HydrophobicContact CG1-CB 4.21Å; V586-T603 VanDerWaalsContact CG2-OG1 3.31Å; V586-T603 WeakPolarHBondContact CG2-OG1 3.42Å; V586-R625 VanDerWaalsContact CG1-NE 3.35Å; V586-L626 HydrophobicContact CG1-CD2 4.31Å |
| 587 | A | 94 | Very high | 89.5 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D583 S584 A585 L590 Q591 | D583-A587 WeakPolarHBondContact O-CB 3.31Å; D583-A587 PolarHBondContact O-N 3.16Å; S584-A587 WeakPolarHBondContact O-CB 3.22Å; S584-A587 PolarHBondContact O-N 3.49Å; S584-A587 VanDerWaalsContact O-N 3.12Å; A585-A587 PolarHBondContact O-N 3.46Å; A587-L590 PolarHBondContact O-N 3.13Å; A587-Q591 VanDerWaalsContact O-CB 3.27Å; A587-Q591 WeakPolarHBondContact O-CB 3.24Å; A587-Q591 VanDerWaalsContact O-CG 3.27Å; A587-Q591 WeakPolarHBondContact O-CG 3.35Å; A587-Q591 PolarHBondContact O-N 3.26Å |
| 588 | T | 93.5 | Very high | 89.4 | Confident | 22 Ų | 22 | 47.4 Ų | 47.4 | 14% | 0.135 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 112 | W552 A556 S584 A585 L590 Q591 S592 | W552-T588 HydrophobicContact CB-CG2 3.9Å; W552-T588 HydrophobicContact CE3-CG2 4.31Å; W552-T588 WeakPolarHBondContact O-CG2 3.46Å; A556-T588 HydrophobicContact CB-CG2 3.9Å; S584-T588 PolarHBondContact O-N 2.82Å; S584-T588 PolarHBondContact O-OG1 3.45Å; S584-T588 VanDerWaalsContact O-OG1 3.14Å; A585-T588 PolarHBondContact O-N 3.3Å; T588-L590 VanDerWaalsContact C-N 3.26Å; T588-L590 PolarHBondContact O-N 2.95Å; T588-Q591 PolarHBondContact O-N 3.33Å; T588-S592 VanDerWaalsContact CG2-OG 3.23Å; T588-S592 WeakPolarHBondContact CG2-OG 3.17Å; T588-S592 PolarHBondContact O-N 3.08Å; T588-S592 PolarHBondContact O-OG 2.84Å |
| 589 | Y | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.4 | -36.8 | 177.7 | -74.5 | -50.8 | 0 | 0 | 0 | 113 | H139 L553 A556 G557 E560 A585 L594 S595 L598 S602 | H139-Y589 AromaticContact NE2-CE1 3.86Å; H139-Y589 AromaticContact NE2-CZ 3.9Å; H139-Y589 PolarHBondContact NE2-OH 2.91Å; L553-Y589 HydrophobicContact CD1-CD1 4.1Å; L553-Y589 HydrophobicContact CD1-CE1 3.83Å; A556-Y589 HydrophobicContact CB-CD1 3.77Å; A556-Y589 HydrophobicContact CB-CD2 4.16Å; A556-Y589 HydrophobicContact CB-CE1 3.57Å; A556-Y589 HydrophobicContact CB-CE2 4Å; A556-Y589 HydrophobicContact CB-CG 4.06Å; G557-Y589 WeakPolarHBondContact CA-OH 3.4Å; G557-Y589 PolarHBondContact N-OH 3.18Å; E560-Y589 PolarHBondContact OE2-OH 3.1Å; A585-Y589 HydrophobicContact CB-CE2 4.32Å; A585-Y589 WeakPolarHBondContact O-CD2 3.01Å; A585-Y589 PolarHBondContact O-N 3.38Å; Y589-L594 PolarHBondContact O-N 3.41Å; Y589-S595 PolarHBondContact O-N 2.86Å; Y589-S595 PolarHBondContact O-OG 3.39Å; Y589-L598 HydrophobicContact CD1-CB 3.78Å; Y589-L598 HydrophobicContact CD1-CD1 3.9Å; Y589-L598 HydrophobicContact CD1-CG 4.47Å; Y589-L598 HydrophobicContact CD2-CB 4.05Å; Y589-L598 HydrophobicContact CE1-CB 3.88Å; Y589-L598 HydrophobicContact CE1-CD1 3.6Å; Y589-L598 HydrophobicContact CE1-CG 4.25Å; Y589-L598 HydrophobicContact CE2-CB 4.13Å; Y589-L598 HydrophobicContact CG-CB 3.87Å; Y589-S602 VanDerWaalsContact CE2-OG 3.28Å; Y589-S602 WeakPolarHBondContact CE2-OG 3.26Å |
| 590 | L | 89.8 | Confident | 89.5 | Confident | 58 Ų | 58 | 43.7 Ų | 43.7 | 30% | 0.304 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -75.7 | -48 | 175.6 | -67.3 | 170.9 | 0 | 0 | 0 | 112.7 | V586 A587 T588 A599 L626 | V586-L590 HydrophobicContact CG1-CD1 4.08Å; V586-L590 VanDerWaalsContact O-CG 3.3Å; V586-L590 WeakPolarHBondContact O-CG 3.48Å; V586-L590 PolarHBondContact O-N 3.41Å; V586-L590 VanDerWaalsContact O-N 3.16Å; A587-L590 PolarHBondContact O-N 3.13Å; T588-L590 VanDerWaalsContact C-N 3.26Å; T588-L590 PolarHBondContact O-N 2.95Å; L590-A599 HydrophobicContact CD1-CB 4.42Å; L590-A599 HydrophobicContact CD2-CB 3.6Å; L590-A599 HydrophobicContact CG-CB 3.67Å; L590-L626 HydrophobicContact CD1-CD2 3.83Å; L590-L626 HydrophobicContact CD2-CD2 4.22Å; L590-L626 HydrophobicContact CG-CD2 4.5Å |
| 591 | Q | 87.7 | Confident | 89.6 | Confident | 163 Ų | 163 | 38.9 Ų | 38.9 | 76% | 0.762 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -85.2 | -39.8 | -167 | -68.3 | 176.3 | -6.1 | 0 | 0 | 114.2 | A587 T588 | A587-Q591 VanDerWaalsContact O-CB 3.27Å; A587-Q591 WeakPolarHBondContact O-CB 3.24Å; A587-Q591 VanDerWaalsContact O-CG 3.27Å; A587-Q591 WeakPolarHBondContact O-CG 3.35Å; A587-Q591 PolarHBondContact O-N 3.26Å; T588-Q591 PolarHBondContact O-N 3.33Å |
| 592 | S | 77.1 | Confident | 89.6 | Confident | 39 Ų | 39 | 38 Ų | 38 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -8.4 | -170.8 | 68.4 | 0 | 0 | 0 | 0 | 114.5 | W552 T588 | W552-S592 WeakPolarHBondContact CB-OG 3.23Å; T588-S592 VanDerWaalsContact CG2-OG 3.23Å; T588-S592 WeakPolarHBondContact CG2-OG 3.17Å; T588-S592 PolarHBondContact O-N 3.08Å; T588-S592 PolarHBondContact O-OG 2.84Å |
| 593 | H | 69.2 | Low | 89.6 | Confident | 88 Ų | 88 | 38 Ų | 38 | 41% | 0.407 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | 2.9 | -177.8 | -129.4 | 63.5 | 0 | 0 | 0 | 115.2 | S595 | H593-S595 PolarHBondContact O-N 3.23Å; H593-S595 VanDerWaalsContact O-N 3.1Å |
| 594 | L | 77.8 | Confident | 89.7 | Confident | 148 Ų | 148 | 36.5 Ų | 36.5 | 78% | 0.775 | 20% | 0.2 | S | C | * | . | trans | 47.6 | 44.1 | 173 | -59.5 | 171 | 0 | 0 | 0 | 113.1 | Y589 P596 | Y589-L594 PolarHBondContact O-N 3.41Å; L594-P596 VanDerWaalsContact C-CD 3.43Å; L594-P596 WeakPolarHBondContact O-CD 3.22Å | ||
| 595 | S | 83.7 | Confident | 89.7 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | trans | -114 | 71.1 | -171 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | Y589 H593 E597 L598 A599 | Y589-S595 PolarHBondContact O-N 2.86Å; Y589-S595 PolarHBondContact O-OG 3.39Å; H593-S595 PolarHBondContact O-N 3.23Å; H593-S595 VanDerWaalsContact O-N 3.1Å; S595-E597 VanDerWaalsContact C-N 3.29Å; S595-E597 PolarHBondContact O-N 3.4Å; S595-L598 PolarHBondContact O-N 3.34Å; S595-L598 VanDerWaalsContact O-N 3.15Å; S595-A599 PolarHBondContact O-N 3.45Å; S595-A599 VanDerWaalsContact O-N 3.14Å | ||
| 596 | P | 87.3 | Confident | 89.7 | Confident | 74 Ų | 74 | 34.2 Ų | 34.2 | 48% | 0.481 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.3 | -29.5 | -171.2 | 27.2 | -35.3 | 0 | 0 | 0 | 113.2 | L594 L598 A599 L600 | L594-P596 VanDerWaalsContact C-CD 3.43Å; L594-P596 WeakPolarHBondContact O-CD 3.22Å; P596-L598 VanDerWaalsContact C-N 3.35Å; P596-L598 PolarHBondContact O-N 2.91Å; P596-A599 PolarHBondContact O-N 3.27Å; P596-L600 VanDerWaalsContact O-CB 3.24Å; P596-L600 WeakPolarHBondContact O-CB 3.38Å; P596-L600 PolarHBondContact O-N 3.1Å |
| 597 | E | 88.9 | Confident | 89.7 | Confident | 61 Ų | 61 | 34.2 Ų | 34.2 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.7 | -37.4 | 175.6 | -60.9 | 99.1 | 138.5 | 0 | 0 | 112.5 | K82 L134 S595 R601 | K82-E597 IonicContact NZ-OE1 3.25Å; K82-E597 PolarHBondContact NZ-OE1 2.88Å; L134-E597 HydrophobicContact CD2-CB 3.96Å; S595-E597 VanDerWaalsContact C-N 3.29Å; S595-E597 PolarHBondContact O-N 3.4Å; E597-R601 WeakPolarHBondContact O-CB 3.3Å; E597-R601 PolarHBondContact O-N 2.91Å |
| 598 | L | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.9 | -46.2 | 174.9 | -74.4 | 172.2 | 0 | 0 | 0 | 110.9 | F137 L553 Y589 S595 P596 L600 R601 S602 | F137-L598 HydrophobicContact CD1-CD1 3.83Å; F137-L598 HydrophobicContact CD1-CG 4.37Å; F137-L598 HydrophobicContact CD2-CD1 4.23Å; F137-L598 HydrophobicContact CD2-CD2 3.61Å; F137-L598 HydrophobicContact CD2-CG 4.09Å; F137-L598 HydrophobicContact CE1-CD1 3.9Å; F137-L598 HydrophobicContact CE1-CG 4.11Å; F137-L598 HydrophobicContact CE2-CD1 4.3Å; F137-L598 HydrophobicContact CE2-CD2 3.61Å; F137-L598 HydrophobicContact CE2-CG 3.81Å; F137-L598 HydrophobicContact CG-CD1 4Å; F137-L598 HydrophobicContact CG-CD2 4.17Å; F137-L598 HydrophobicContact CG-CG 4.36Å; F137-L598 HydrophobicContact CZ-CD1 4.14Å; F137-L598 HydrophobicContact CZ-CD2 4.16Å; F137-L598 HydrophobicContact CZ-CG 3.82Å; L553-L598 HydrophobicContact CD1-CD1 3.93Å; Y589-L598 HydrophobicContact CD1-CB 3.78Å; Y589-L598 HydrophobicContact CD1-CD1 3.9Å; Y589-L598 HydrophobicContact CD1-CG 4.47Å; Y589-L598 HydrophobicContact CD2-CB 4.05Å; Y589-L598 HydrophobicContact CE1-CB 3.88Å; Y589-L598 HydrophobicContact CE1-CD1 3.6Å; Y589-L598 HydrophobicContact CE1-CG 4.25Å; Y589-L598 HydrophobicContact CE2-CB 4.13Å; Y589-L598 HydrophobicContact CG-CB 3.87Å; S595-L598 PolarHBondContact O-N 3.34Å; S595-L598 VanDerWaalsContact O-N 3.15Å; P596-L598 VanDerWaalsContact C-N 3.35Å; P596-L598 PolarHBondContact O-N 2.91Å; L598-L600 PolarHBondContact O-N 2.65Å; L598-R601 WeakPolarHBondContact O-CB 3.28Å; L598-R601 PolarHBondContact O-N 3.27Å; L598-R601 VanDerWaalsContact O-N 3.16Å; L598-S602 WeakPolarHBondContact O-CB 3.46Å; L598-S602 PolarHBondContact O-N 3.45Å; L598-S602 PolarHBondContact O-OG 2.89Å |
| 599 | A | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.9 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V586 L590 S595 P596 T603 L626 | V586-A599 HydrophobicContact CG1-CB 4.21Å; L590-A599 HydrophobicContact CD1-CB 4.42Å; L590-A599 HydrophobicContact CD2-CB 3.6Å; L590-A599 HydrophobicContact CG-CB 3.67Å; S595-A599 PolarHBondContact O-N 3.45Å; S595-A599 VanDerWaalsContact O-N 3.14Å; P596-A599 PolarHBondContact O-N 3.27Å; A599-T603 VanDerWaalsContact O-CB 3.23Å; A599-T603 WeakPolarHBondContact O-CB 3.42Å; A599-T603 PolarHBondContact O-N 3.43Å; A599-T603 PolarHBondContact O-OG1 3.33Å; A599-L626 HydrophobicContact CB-CD2 4.34Å |
| 600 | L | 93.4 | Very high | 89.5 | Confident | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.073 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.6 | -43.9 | 176.2 | -175.8 | 58.5 | 0 | 0 | 0 | 112.5 | W126 F130 P596 L598 T603 L604 L626 I634 L638 | W126-L600 HydrophobicContact CH2-CD1 4.28Å; W126-L600 HydrophobicContact CH2-CD2 4.24Å; W126-L600 HydrophobicContact CZ2-CD2 4.12Å; F130-L600 HydrophobicContact CD2-CD2 4.32Å; F130-L600 HydrophobicContact CE1-CB 4.47Å; F130-L600 HydrophobicContact CE1-CD2 4.23Å; F130-L600 HydrophobicContact CE1-CG 4.01Å; F130-L600 HydrophobicContact CE2-CD2 3.77Å; F130-L600 HydrophobicContact CE2-CG 4.35Å; F130-L600 HydrophobicContact CZ-CB 3.94Å; F130-L600 HydrophobicContact CZ-CD2 3.71Å; F130-L600 HydrophobicContact CZ-CG 3.77Å; P596-L600 VanDerWaalsContact O-CB 3.24Å; P596-L600 WeakPolarHBondContact O-CB 3.38Å; P596-L600 PolarHBondContact O-N 3.1Å; L598-L600 PolarHBondContact O-N 2.65Å; L600-T603 PolarHBondContact O-N 3.41Å; L600-L604 HydrophobicContact CD1-CD1 4.18Å; L600-L604 HydrophobicContact CD1-CG 4.24Å; L600-L604 HydrophobicContact CG-CD1 4.06Å; L600-L604 WeakPolarHBondContact O-CB 3.28Å; L600-L604 VanDerWaalsContact O-CG 3.28Å; L600-L604 WeakPolarHBondContact O-CG 3.29Å; L600-L604 PolarHBondContact O-N 2.95Å; L600-L626 HydrophobicContact CB-CD1 4.08Å; L600-L626 HydrophobicContact CD1-CD1 3.68Å; L600-I634 HydrophobicContact CD1-CG2 4.35Å; L600-I634 HydrophobicContact CD2-CD1 4.16Å; L600-I634 HydrophobicContact CD2-CG2 4.21Å; L600-L638 HydrophobicContact CD1-CD1 4.21Å |
| 601 | R | 93.8 | Very high | 89.6 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 3% | 0.034 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.9 | -56.7 | 172 | -177.5 | -172.6 | 74.2 | -170.3 | 4.8 | 111 | F130 I131 L134 E140 E560 E597 L598 T603 L604 L605 | F130-R601 HydrophobicContact CE1-CB 4.45Å; I131-R601 HydrophobicContact CD1-CG 4.32Å; L134-R601 HydrophobicContact CD1-CB 3.89Å; L134-R601 HydrophobicContact CD1-CG 3.86Å; E140-R601 VanDerWaalsContact CD-NH1 3.25Å; E140-R601 IonicContact OE1-CZ 3.62Å; E140-R601 IonicContact OE1-NH1 3.32Å; E140-R601 PolarHBondContact OE1-NH1 3.5Å; E140-R601 IonicContact OE1-NH2 2.75Å; E140-R601 IonicContact OE2-CZ 2.67Å; E140-R601 VanDerWaalsContact OE2-CZ 3.27Å; E140-R601 IonicContact OE2-NH1 2.79Å; E140-R601 PolarHBondContact OE2-NH1 3.22Å; E140-R601 IonicContact OE2-NH2 3.49Å; E140-R601 PolarHBondContact OE2-NH2 3.07Å; E560-R601 IonicContact OE1-CZ 3.68Å; E560-R601 IonicContact OE1-NE 3.67Å; E560-R601 PolarHBondContact OE1-NE 3.42Å; E560-R601 IonicContact OE1-NH2 3.27Å; E560-R601 PolarHBondContact OE1-NH2 3.48Å; E560-R601 IonicContact OE2-CZ 3.52Å; E560-R601 IonicContact OE2-NE 2.92Å; E560-R601 IonicContact OE2-NH2 3.65Å; E560-R601 PolarHBondContact OE2-NH2 2.83Å; E597-R601 WeakPolarHBondContact O-CB 3.3Å; E597-R601 PolarHBondContact O-N 2.91Å; L598-R601 WeakPolarHBondContact O-CB 3.28Å; L598-R601 PolarHBondContact O-N 3.27Å; L598-R601 VanDerWaalsContact O-N 3.16Å; R601-T603 VanDerWaalsContact C-N 3.26Å; R601-T603 PolarHBondContact O-N 2.96Å; R601-L604 PolarHBondContact O-N 3.47Å; R601-L604 VanDerWaalsContact O-N 3.13Å; R601-L605 HydrophobicContact CG-CD1 3.73Å; R601-L605 HydrophobicContact CG-CG 4.44Å; R601-L605 VanDerWaalsContact O-CG 3.31Å; R601-L605 WeakPolarHBondContact O-CG 3.36Å; R601-L605 PolarHBondContact O-N 3.5Å |
| 602 | S | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.2 | -39.3 | -178.6 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | E560 Y589 L598 L605 N606 | E560-S602 WeakPolarHBondContact OE1-CA 3.46Å; E560-S602 PolarHBondContact OE1-OG 2.92Å; E560-S602 PolarHBondContact OE2-OG 2.91Å; Y589-S602 VanDerWaalsContact CE2-OG 3.28Å; Y589-S602 WeakPolarHBondContact CE2-OG 3.26Å; L598-S602 WeakPolarHBondContact O-CB 3.46Å; L598-S602 PolarHBondContact O-N 3.45Å; L598-S602 PolarHBondContact O-OG 2.89Å; S602-L605 PolarHBondContact O-N 3.39Å; S602-N606 WeakPolarHBondContact O-CB 3.49Å; S602-N606 PolarHBondContact O-N 3.26Å |
| 603 | T | 95.6 | Very high | 90 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.3 | -40.2 | 176.5 | -64.5 | 0 | 0 | 0 | 0 | 112.9 | V586 A599 L600 R601 L605 N606 F607 A622 L623 L626 | V586-T603 VanDerWaalsContact CG2-OG1 3.31Å; V586-T603 WeakPolarHBondContact CG2-OG1 3.42Å; A599-T603 VanDerWaalsContact O-CB 3.23Å; A599-T603 WeakPolarHBondContact O-CB 3.42Å; A599-T603 PolarHBondContact O-N 3.43Å; A599-T603 PolarHBondContact O-OG1 3.33Å; L600-T603 PolarHBondContact O-N 3.41Å; R601-T603 VanDerWaalsContact C-N 3.26Å; R601-T603 PolarHBondContact O-N 2.96Å; T603-L605 VanDerWaalsContact C-N 3.33Å; T603-N606 PolarHBondContact O-N 2.58Å; T603-F607 VanDerWaalsContact O-CB 3.23Å; T603-F607 WeakPolarHBondContact O-CB 3.38Å; T603-F607 PolarHBondContact O-N 2.83Å; T603-A622 HydrophobicContact CG2-CB 4.38Å; T603-A622 VanDerWaalsContact CG2-O 3.25Å; T603-A622 WeakPolarHBondContact CG2-O 2.95Å; T603-L623 HydrophobicContact CG2-CD2 3.84Å; T603-L626 HydrophobicContact CG2-CD1 3.74Å; T603-L626 HydrophobicContact CG2-CG 4.23Å; T603-L626 WeakPolarHBondContact OG1-CD1 3.44Å |
| 604 | L | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.7 | -32.9 | 175.5 | -70.4 | 167.7 | 0 | 0 | 0 | 112.4 | F123 W126 R127 F130 L600 R601 E608 L638 | F123-L604 HydrophobicContact CZ-CD2 4.06Å; W126-L604 HydrophobicContact CH2-CD1 3.95Å; W126-L604 HydrophobicContact CH2-CD2 4.32Å; W126-L604 HydrophobicContact CZ3-CD1 4.03Å; W126-L604 HydrophobicContact CZ3-CD2 3.97Å; R127-L604 HydrophobicContact CG-CD1 4.44Å; F130-L604 HydrophobicContact CD1-CD1 3.73Å; F130-L604 HydrophobicContact CE1-CD1 3.75Å; L600-L604 HydrophobicContact CD1-CD1 4.18Å; L600-L604 HydrophobicContact CD1-CG 4.24Å; L600-L604 HydrophobicContact CG-CD1 4.06Å; L600-L604 WeakPolarHBondContact O-CB 3.28Å; L600-L604 VanDerWaalsContact O-CG 3.28Å; L600-L604 WeakPolarHBondContact O-CG 3.29Å; L600-L604 PolarHBondContact O-N 2.95Å; R601-L604 PolarHBondContact O-N 3.47Å; R601-L604 VanDerWaalsContact O-N 3.13Å; L604-E608 PolarHBondContact O-N 3.5Å; L604-L638 HydrophobicContact CD2-CD2 4.31Å |
| 605 | L | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.2 | -44 | 172.7 | -66.7 | 164.9 | 0 | 0 | 0 | 111.6 | F11 I12 V15 F16 L564 M582 R601 S602 T603 F607 E608 A609 | F11-L605 HydrophobicContact CD1-CD2 4.43Å; F11-L605 HydrophobicContact CE1-CD2 4.05Å; I12-L605 HydrophobicContact CB-CD2 4.42Å; I12-L605 HydrophobicContact CG1-CD2 3.81Å; I12-L605 HydrophobicContact CG2-CD2 4.43Å; V15-L605 HydrophobicContact CB-CD2 4.26Å; V15-L605 HydrophobicContact CG1-CD2 4.28Å; V15-L605 HydrophobicContact CG2-CD2 4.03Å; F16-L605 HydrophobicContact CE2-CD1 3.66Å; F16-L605 HydrophobicContact CE2-CD2 3.97Å; F16-L605 HydrophobicContact CZ-CD1 3.67Å; L564-L605 HydrophobicContact CD1-CD1 4.05Å; L564-L605 HydrophobicContact CD2-CB 4.09Å; M582-L605 HydrophobicContact CE-CB 4.49Å; R601-L605 HydrophobicContact CG-CD1 3.73Å; R601-L605 HydrophobicContact CG-CG 4.44Å; R601-L605 VanDerWaalsContact O-CG 3.31Å; R601-L605 WeakPolarHBondContact O-CG 3.36Å; R601-L605 PolarHBondContact O-N 3.5Å; S602-L605 PolarHBondContact O-N 3.39Å; T603-L605 VanDerWaalsContact C-N 3.33Å; L605-F607 VanDerWaalsContact C-N 3.3Å; L605-F607 PolarHBondContact O-N 3.3Å; L605-E608 PolarHBondContact O-N 3.05Å; L605-A609 PolarHBondContact O-N 3.14Å; L605-A609 VanDerWaalsContact O-N 3.14Å |
| 606 | N | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.3 | -45.9 | 172.9 | -157.4 | 5.7 | 0 | 0 | 0 | 110.9 | Y577 M582 D583 S602 T603 E608 A609 L610 | Y577-N606 WeakPolarHBondContact CE1-OD1 3.42Å; Y577-N606 PolarHBondContact OH-OD1 2.78Å; Y577-N606 VanDerWaalsContact OH-OD1 3.11Å; M582-N606 HydrophobicContact CB-CB 4.44Å; M582-N606 HydrophobicContact CG-CB 3.5Å; M582-N606 VanDerWaalsContact CG-CB 3.5Å; M582-N606 VanDerWaalsContact CG-CG 3.49Å; D583-N606 PolarHBondContact OD1-ND2 2.93Å; S602-N606 WeakPolarHBondContact O-CB 3.49Å; S602-N606 PolarHBondContact O-N 3.26Å; T603-N606 PolarHBondContact O-N 2.58Å; N606-E608 PolarHBondContact O-N 2.92Å; N606-A609 PolarHBondContact O-N 2.95Å; N606-L610 WeakPolarHBondContact O-CB 3.4Å; N606-L610 VanDerWaalsContact O-CG 3.24Å; N606-L610 WeakPolarHBondContact O-CG 3.28Å; N606-L610 PolarHBondContact O-N 2.9Å; N606-L610 VanDerWaalsContact OD1-CD1 3.31Å; N606-L610 WeakPolarHBondContact OD1-CD1 3.45Å; N606-L610 WeakPolarHBondContact OD1-CG 3.27Å |
| 607 | F | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.9 | -46.4 | -178.1 | 178.6 | -106.6 | 0 | 0 | 0 | 112.8 | M1 T603 L605 C611 A619 L623 Q641 C645 | M1-F607 HydrophobicContact CB-CZ 4.19Å; M1-F607 HydrophobicContact CE-CE1 4.09Å; M1-F607 HydrophobicContact CG-CE1 3.66Å; M1-F607 HydrophobicContact CG-CZ 3.64Å; M1-F607 HydrophobicContact SD-CE1 3.75Å; M1-F607 HydrophobicContact SD-CZ 4.3Å; T603-F607 VanDerWaalsContact O-CB 3.23Å; T603-F607 WeakPolarHBondContact O-CB 3.38Å; T603-F607 PolarHBondContact O-N 2.83Å; L605-F607 VanDerWaalsContact C-N 3.3Å; L605-F607 PolarHBondContact O-N 3.3Å; F607-C611 VanDerWaalsContact O-CB 3.24Å; F607-C611 WeakPolarHBondContact O-CB 3.41Å; F607-C611 PolarHBondContact O-N 3.13Å; F607-C611 PolarHBondContact O-SG 3.46Å; F607-A619 HydrophobicContact CD2-CB 3.82Å; F607-A619 HydrophobicContact CE2-CB 4.04Å; F607-L623 HydrophobicContact CB-CD2 4.02Å; F607-L623 HydrophobicContact CD2-CD1 3.61Å; F607-L623 HydrophobicContact CD2-CD2 3.77Å; F607-L623 HydrophobicContact CD2-CG 3.52Å; F607-L623 HydrophobicContact CE1-CD1 4.5Å; F607-L623 HydrophobicContact CE2-CD1 3.36Å; F607-L623 HydrophobicContact CE2-CD2 4.41Å; F607-L623 HydrophobicContact CE2-CG 3.79Å; F607-L623 HydrophobicContact CG-CD1 4.27Å; F607-L623 HydrophobicContact CG-CD2 3.93Å; F607-L623 HydrophobicContact CG-CG 4.18Å; F607-L623 HydrophobicContact CZ-CD1 3.85Å; F607-Q641 HydrophobicContact CE1-CB 4.48Å; F607-Q641 HydrophobicContact CE2-CB 4.45Å; F607-Q641 HydrophobicContact CZ-CB 3.85Å; F607-Q641 HydrophobicContact CZ-CG 4.4Å; F607-C645 VanDerWaalsContact CE2-SG 3.5Å |
| 608 | E | 91 | Very high | 92.4 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.019 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.5 | -40.2 | 176.5 | -81.3 | -68.2 | 175.2 | 0 | 0 | 112.7 | M1 C4 F11 R127 L604 L605 N606 S612 | M1-E608 WeakPolarHBondContact CE-OE1 3.29Å; C4-E608 PolarHBondContact SG-OE1 3.39Å; F11-E608 HydrophobicContact CD1-CB 4.16Å; F11-E608 HydrophobicContact CD1-CG 3.72Å; F11-E608 HydrophobicContact CE1-CG 4.22Å; F11-E608 HydrophobicContact CG-CG 4.24Å; R127-E608 IonicContact CZ-OE1 3.83Å; R127-E608 VanDerWaalsContact NH1-CG 3.33Å; R127-E608 IonicContact NH1-OE1 3.03Å; R127-E608 PolarHBondContact NH1-OE1 3.01Å; R127-E608 IonicContact NH2-OE1 2.69Å; L604-E608 PolarHBondContact O-N 3.5Å; L605-E608 PolarHBondContact O-N 3.05Å; N606-E608 PolarHBondContact O-N 2.92Å; E608-S612 WeakPolarHBondContact O-CB 3.5Å; E608-S612 PolarHBondContact O-N 2.78Å; E608-S612 PolarHBondContact O-OG 2.83Å |
| 609 | A | 92.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y567 Y577 L605 N606 R613 | Y567-A609 HydrophobicContact CD1-CB 4.39Å; Y567-A609 HydrophobicContact CD2-CB 3.54Å; Y567-A609 VanDerWaalsContact CE2-CA 3.48Å; Y567-A609 HydrophobicContact CE2-CB 3.72Å; Y567-A609 HydrophobicContact CG-CB 3.91Å; Y577-A609 HydrophobicContact CD1-CB 4.26Å; Y577-A609 HydrophobicContact CE1-CB 3.61Å; Y577-A609 HydrophobicContact CE2-CB 4.21Å; L605-A609 PolarHBondContact O-N 3.14Å; L605-A609 VanDerWaalsContact O-N 3.14Å; N606-A609 PolarHBondContact O-N 2.95Å; A609-R613 VanDerWaalsContact O-CG 3.25Å; A609-R613 WeakPolarHBondContact O-CG 3.2Å; A609-R613 PolarHBondContact O-N 3.43Å; A609-R613 VanDerWaalsContact O-N 3.09Å |
| 610 | L | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | 176.9 | -69.1 | 169.7 | 0 | 0 | 0 | 111.8 | Y577 Y579 N606 S612 R613 G614 L615 E618 A619 | Y577-L610 HydrophobicContact CD1-CD2 4.17Å; Y577-L610 HydrophobicContact CE1-CD2 4.06Å; Y577-L610 HydrophobicContact CE1-CG 4.17Å; Y579-L610 HydrophobicContact CD1-CD2 4.38Å; Y579-L610 HydrophobicContact CG-CD2 4.05Å; N606-L610 WeakPolarHBondContact O-CB 3.4Å; N606-L610 VanDerWaalsContact O-CG 3.24Å; N606-L610 WeakPolarHBondContact O-CG 3.28Å; N606-L610 PolarHBondContact O-N 2.9Å; N606-L610 VanDerWaalsContact OD1-CD1 3.31Å; N606-L610 WeakPolarHBondContact OD1-CD1 3.45Å; N606-L610 WeakPolarHBondContact OD1-CG 3.27Å; L610-S612 VanDerWaalsContact C-N 3.33Å; L610-S612 PolarHBondContact O-N 2.77Å; L610-R613 CarbonylContact O-C 3.57Å; L610-R613 PolarHBondContact O-N 3.14Å; L610-G614 PolarHBondContact O-N 3.34Å; L610-L615 HydrophobicContact CB-CB 4.28Å; L610-L615 HydrophobicContact CD2-CB 3.94Å; L610-L615 HydrophobicContact CD2-CD1 3.78Å; L610-L615 PolarHBondContact O-N 3.17Å; L610-E618 HydrophobicContact CD1-CB 3.88Å; L610-E618 HydrophobicContact CD2-CB 4.01Å; L610-A619 HydrophobicContact CB-CB 3.87Å; L610-A619 HydrophobicContact CD1-CB 4.46Å |
| 611 | C | 91.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 177 | -73.6 | 0 | 0 | 0 | 0 | 112.3 | M1 F607 R613 G614 Y616 | M1-C611 HydrophobicContact CB-CB 4.48Å; M1-C611 HydrophobicContact SD-CB 4.46Å; F607-C611 VanDerWaalsContact O-CB 3.24Å; F607-C611 WeakPolarHBondContact O-CB 3.41Å; F607-C611 PolarHBondContact O-N 3.13Å; F607-C611 PolarHBondContact O-SG 3.46Å; C611-R613 VanDerWaalsContact C-N 3.3Å; C611-R613 PolarHBondContact O-N 3.19Å; C611-G614 PolarHBondContact O-N 3.25Å; C611-G614 VanDerWaalsContact O-N 3.13Å; C611-Y616 HydrophobicContact CB-CD1 4.36Å; C611-Y616 HydrophobicContact CB-CE1 4.04Å; C611-Y616 WeakPolarHBondContact O-CE1 3.49Å |
| 612 | S | 86.8 | Confident | 92.5 | Very high | 60 Ų | 60 | 27.7 Ų | 27.7 | 42% | 0.42 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -69.6 | -25.3 | 176 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | G8 Y567 E608 L610 | G8-S612 PolarHBondContact N-OG 3.11Å; Y567-S612 WeakPolarHBondContact OH-CB 3.35Å; Y567-S612 PolarHBondContact OH-OG 3.48Å; E608-S612 WeakPolarHBondContact O-CB 3.5Å; E608-S612 PolarHBondContact O-N 2.78Å; E608-S612 PolarHBondContact O-OG 2.83Å; L610-S612 VanDerWaalsContact C-N 3.33Å; L610-S612 PolarHBondContact O-N 2.77Å |
| 613 | R | 87.7 | Confident | 92.5 | Very high | 95 Ų | 95 | 27.7 Ų | 27.7 | 36% | 0.358 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 2.1 | 171.2 | -61.9 | -77.5 | 178.7 | 143 | -1 | 113.1 | Y567 A609 L610 C611 L615 | Y567-R613 HydrophobicContact CD2-CG 4.46Å; Y567-R613 HydrophobicContact CE2-CG 4.14Å; Y567-R613 PolarHBondContact O-NH2 2.87Å; A609-R613 VanDerWaalsContact O-CG 3.25Å; A609-R613 WeakPolarHBondContact O-CG 3.2Å; A609-R613 PolarHBondContact O-N 3.43Å; A609-R613 VanDerWaalsContact O-N 3.09Å; L610-R613 CarbonylContact O-C 3.57Å; L610-R613 PolarHBondContact O-N 3.14Å; C611-R613 VanDerWaalsContact C-N 3.3Å; C611-R613 PolarHBondContact O-N 3.19Å; R613-L615 VanDerWaalsContact C-N 3.32Å; R613-L615 HydrophobicContact CB-CD1 4.25Å; R613-L615 HydrophobicContact CB-CG 4.28Å; R613-L615 PolarHBondContact O-N 2.86Å |
| 614 | G | 87.5 | Confident | 92.4 | Very high | 39 Ų | 39 | 30.3 Ų | 30.3 | 40% | 0.402 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 9.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L610 C611 Y616 | L610-G614 PolarHBondContact O-N 3.34Å; C611-G614 PolarHBondContact O-N 3.25Å; C611-G614 VanDerWaalsContact O-N 3.13Å; G614-Y616 VanDerWaalsContact C-N 3.26Å; G614-Y616 WeakPolarHBondContact O-CD2 3.38Å; G614-Y616 PolarHBondContact O-N 2.69Å |
| 615 | L | 91 | Very high | 92.2 | Very high | 59 Ų | 59 | 34.6 Ų | 34.6 | 31% | 0.309 | 18% | 0.183 | S | C | . | . | trans | -85.1 | 57.8 | -175 | -62.8 | 175.2 | 0 | 0 | 0 | 111.8 | L610 R613 N617 E618 A619 | L610-L615 HydrophobicContact CB-CB 4.28Å; L610-L615 HydrophobicContact CD2-CB 3.94Å; L610-L615 HydrophobicContact CD2-CD1 3.78Å; L610-L615 PolarHBondContact O-N 3.17Å; R613-L615 VanDerWaalsContact C-N 3.32Å; R613-L615 HydrophobicContact CB-CD1 4.25Å; R613-L615 HydrophobicContact CB-CG 4.28Å; R613-L615 PolarHBondContact O-N 2.86Å; L615-N617 VanDerWaalsContact C-N 3.27Å; L615-N617 PolarHBondContact O-N 3.17Å; L615-E618 HydrophobicContact CB-CG 4.46Å; L615-E618 PolarHBondContact O-N 3.26Å; L615-A619 PolarHBondContact O-N 2.9Å | ||
| 616 | Y | 93.1 | Very high | 91.9 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 25% | 0.247 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.2 | -19.3 | -171 | -54.9 | -59.4 | 0 | 0 | 0 | 115.3 | C611 G614 A620 S648 | C611-Y616 HydrophobicContact CB-CD1 4.36Å; C611-Y616 HydrophobicContact CB-CE1 4.04Å; C611-Y616 WeakPolarHBondContact O-CE1 3.49Å; G614-Y616 VanDerWaalsContact C-N 3.26Å; G614-Y616 WeakPolarHBondContact O-CD2 3.38Å; G614-Y616 PolarHBondContact O-N 2.69Å; Y616-A620 WeakPolarHBondContact O-CB 3.46Å; Y616-A620 PolarHBondContact O-N 3.43Å; Y616-A620 VanDerWaalsContact O-N 3.15Å; Y616-S648 VanDerWaalsContact CD2-CB 3.44Å; Y616-S648 WeakPolarHBondContact CD2-O 3.21Å; Y616-S648 VanDerWaalsContact CE2-O 3.31Å; Y616-S648 WeakPolarHBondContact CE2-O 3.17Å |
| 617 | N | 92.7 | Very high | 91.7 | Very high | 86 Ų | 86 | 37.7 Ų | 37.7 | 46% | 0.46 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.3 | -55.5 | 171.5 | -86.2 | -16.8 | 0 | 0 | 0 | 110.5 | L615 A619 A620 V621 L649 | L615-N617 VanDerWaalsContact C-N 3.27Å; L615-N617 PolarHBondContact O-N 3.17Å; N617-A619 VanDerWaalsContact C-N 3.28Å; N617-A619 PolarHBondContact O-N 3.12Å; N617-A620 WeakPolarHBondContact O-CB 3.48Å; N617-A620 PolarHBondContact O-N 3.13Å; N617-V621 PolarHBondContact O-N 3.49Å; N617-L649 VanDerWaalsContact OD1-CD2 3.27Å; N617-L649 WeakPolarHBondContact OD1-CD2 3.37Å |
| 618 | E | 92.8 | Very high | 91.2 | Very high | 69 Ų | 69 | 40 Ų | 40 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.6 | -41.8 | 177 | -50.8 | -42.8 | 121.6 | 0 | 0 | 111.3 | Y579 L610 L615 A620 V621 A622 | Y579-E618 HydrophobicContact CE2-CG 4.07Å; L610-E618 HydrophobicContact CD1-CB 3.88Å; L610-E618 HydrophobicContact CD2-CB 4.01Å; L615-E618 HydrophobicContact CB-CG 4.46Å; L615-E618 PolarHBondContact O-N 3.26Å; E618-A620 VanDerWaalsContact C-N 3.28Å; E618-A620 PolarHBondContact O-N 3.47Å; E618-V621 PolarHBondContact O-N 3.44Å; E618-V621 VanDerWaalsContact O-N 3.14Å; E618-A622 WeakPolarHBondContact O-CB 3.16Å; E618-A622 PolarHBondContact O-N 3.01Å |
| 619 | A | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F607 L610 L615 N617 L623 | F607-A619 HydrophobicContact CD2-CB 3.82Å; F607-A619 HydrophobicContact CE2-CB 4.04Å; L610-A619 HydrophobicContact CB-CB 3.87Å; L610-A619 HydrophobicContact CD1-CB 4.46Å; L615-A619 PolarHBondContact O-N 2.9Å; N617-A619 VanDerWaalsContact C-N 3.28Å; N617-A619 PolarHBondContact O-N 3.12Å; A619-L623 WeakPolarHBondContact O-CG 3.37Å; A619-L623 PolarHBondContact O-N 3.12Å |
| 620 | A | 94.6 | Very high | 89.8 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.1 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y616 N617 E618 L623 I624 V642 C645 | Y616-A620 WeakPolarHBondContact O-CB 3.46Å; Y616-A620 PolarHBondContact O-N 3.43Å; Y616-A620 VanDerWaalsContact O-N 3.15Å; N617-A620 WeakPolarHBondContact O-CB 3.48Å; N617-A620 PolarHBondContact O-N 3.13Å; E618-A620 VanDerWaalsContact C-N 3.28Å; E618-A620 PolarHBondContact O-N 3.47Å; A620-L623 PolarHBondContact O-N 2.8Å; A620-I624 WeakPolarHBondContact O-CD1 3.43Å; A620-I624 WeakPolarHBondContact O-CG1 3.49Å; A620-I624 PolarHBondContact O-N 2.96Å; A620-I624 VanDerWaalsContact O-N 3.07Å; A620-V642 HydrophobicContact CB-CG1 4.25Å; A620-C645 HydrophobicContact CB-CB 4.17Å |
| 621 | V | 93.5 | Very high | 89.4 | Confident | 86 Ų | 86 | 54.7 Ų | 54.7 | 52% | 0.521 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | N617 E618 L623 I624 R625 | N617-V621 PolarHBondContact O-N 3.49Å; E618-V621 PolarHBondContact O-N 3.44Å; E618-V621 VanDerWaalsContact O-N 3.14Å; V621-L623 VanDerWaalsContact C-N 3.31Å; V621-L623 PolarHBondContact O-N 2.77Å; V621-I624 PolarHBondContact O-N 3.09Å; V621-R625 PolarHBondContact O-N 2.68Å; V621-R625 VanDerWaalsContact O-N 3.13Å |
| 622 | A | 93.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.6 | -42.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T603 E618 | T603-A622 HydrophobicContact CG2-CB 4.38Å; T603-A622 VanDerWaalsContact CG2-O 3.25Å; T603-A622 WeakPolarHBondContact CG2-O 2.95Å; E618-A622 WeakPolarHBondContact O-CB 3.16Å; E618-A622 PolarHBondContact O-N 3.01Å |
| 623 | L | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.2 | -41.8 | 175.6 | -67.7 | -163.1 | 0 | 0 | 0 | 113.3 | T603 F607 A619 A620 V621 R625 L626 L638 Q641 V642 | T603-L623 HydrophobicContact CG2-CD2 3.84Å; F607-L623 HydrophobicContact CB-CD2 4.02Å; F607-L623 HydrophobicContact CD2-CD1 3.61Å; F607-L623 HydrophobicContact CD2-CD2 3.77Å; F607-L623 HydrophobicContact CD2-CG 3.52Å; F607-L623 HydrophobicContact CE1-CD1 4.5Å; F607-L623 HydrophobicContact CE2-CD1 3.36Å; F607-L623 HydrophobicContact CE2-CD2 4.41Å; F607-L623 HydrophobicContact CE2-CG 3.79Å; F607-L623 HydrophobicContact CG-CD1 4.27Å; F607-L623 HydrophobicContact CG-CD2 3.93Å; F607-L623 HydrophobicContact CG-CG 4.18Å; F607-L623 HydrophobicContact CZ-CD1 3.85Å; A619-L623 WeakPolarHBondContact O-CG 3.37Å; A619-L623 PolarHBondContact O-N 3.12Å; A620-L623 PolarHBondContact O-N 2.8Å; V621-L623 VanDerWaalsContact C-N 3.31Å; V621-L623 PolarHBondContact O-N 2.77Å; L623-R625 PolarHBondContact O-N 3.34Å; L623-L626 PolarHBondContact O-N 3Å; L623-L638 HydrophobicContact CB-CB 4.45Å; L623-L638 HydrophobicContact CD1-CD2 4.49Å; L623-L638 HydrophobicContact CD2-CD2 4.08Å; L623-Q641 HydrophobicContact CD1-CB 3.48Å; L623-Q641 VanDerWaalsContact CD1-CB 3.48Å; L623-V642 HydrophobicContact CB-CG2 3.62Å; L623-V642 HydrophobicContact CD1-CG2 4.17Å; L623-V642 HydrophobicContact CG-CG2 4.47Å |
| 624 | I | 92.5 | Very high | 89.8 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.9 | -34.9 | 179.9 | -70.2 | 164.2 | 0 | 0 | 0 | 111.2 | A620 V621 L626 T627 V642 | A620-I624 WeakPolarHBondContact O-CD1 3.43Å; A620-I624 WeakPolarHBondContact O-CG1 3.49Å; A620-I624 PolarHBondContact O-N 2.96Å; A620-I624 VanDerWaalsContact O-N 3.07Å; V621-I624 PolarHBondContact O-N 3.09Å; I624-L626 PolarHBondContact O-N 3.27Å; I624-L626 VanDerWaalsContact O-N 3.08Å; I624-T627 PolarHBondContact O-N 2.83Å; I624-T627 VanDerWaalsContact O-N 3.12Å; I624-T627 PolarHBondContact O-OG1 2.67Å; I624-T627 VanDerWaalsContact O-OG1 3.05Å; I624-V642 HydrophobicContact CD1-CG1 3.9Å; I624-V642 HydrophobicContact CD1-CG2 4.44Å; I624-V642 HydrophobicContact CG1-CG1 4.02Å; I624-V642 HydrophobicContact CG1-CG2 3.78Å |
| 625 | R | 90.1 | Very high | 90.1 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 34% | 0.34 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.5 | 178.7 | -177.2 | 173.5 | 58.8 | -136.9 | -7.5 | 114 | D583 V586 V621 L623 | D583-R625 IonicContact OD1-CZ 3.84Å; D583-R625 IonicContact OD1-NH1 3.77Å; D583-R625 PolarHBondContact OD1-NH1 2.92Å; D583-R625 IonicContact OD1-NH2 2.71Å; D583-R625 PolarHBondContact OD1-NH2 3.41Å; V586-R625 VanDerWaalsContact CG1-NE 3.35Å; V621-R625 PolarHBondContact O-N 2.68Å; V621-R625 VanDerWaalsContact O-N 3.13Å; L623-R625 PolarHBondContact O-N 3.34Å |
| 626 | L | 89.7 | Confident | 90.3 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 14% | 0.136 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 5.2 | -179.7 | -62.8 | -170.7 | 0 | 0 | 0 | 114.7 | V586 L590 A599 L600 T603 L623 I624 S628 L638 | V586-L626 HydrophobicContact CG1-CD2 4.31Å; L590-L626 HydrophobicContact CD1-CD2 3.83Å; L590-L626 HydrophobicContact CD2-CD2 4.22Å; L590-L626 HydrophobicContact CG-CD2 4.5Å; A599-L626 HydrophobicContact CB-CD2 4.34Å; L600-L626 HydrophobicContact CB-CD1 4.08Å; L600-L626 HydrophobicContact CD1-CD1 3.68Å; T603-L626 HydrophobicContact CG2-CD1 3.74Å; T603-L626 HydrophobicContact CG2-CG 4.23Å; T603-L626 WeakPolarHBondContact OG1-CD1 3.44Å; L623-L626 PolarHBondContact O-N 3Å; I624-L626 PolarHBondContact O-N 3.27Å; I624-L626 VanDerWaalsContact O-N 3.08Å; L626-S628 PolarHBondContact O-N 2.95Å; L626-S628 VanDerWaalsContact O-N 3.14Å; L626-L638 HydrophobicContact CB-CD1 3.9Å |
| 627 | T | 89.8 | Confident | 90.3 | Very high | 39 Ų | 39 | 42.5 Ų | 42.5 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | trans | -82.1 | 96.8 | -179.5 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | I624 S635 L638 I639 | I624-T627 PolarHBondContact O-N 2.83Å; I624-T627 VanDerWaalsContact O-N 3.12Å; I624-T627 PolarHBondContact O-OG1 2.67Å; I624-T627 VanDerWaalsContact O-OG1 3.05Å; T627-S635 VanDerWaalsContact CA-OG 3.28Å; T627-S635 WeakPolarHBondContact CA-OG 3.46Å; T627-L638 HydrophobicContact CG2-CB 4.18Å; T627-I639 HydrophobicContact CG2-CD1 3.94Å; T627-I639 HydrophobicContact CG2-CG1 3.56Å | ||
| 628 | S | 83.9 | Confident | 90.4 | Very high | 47 Ų | 47 | 38.4 Ų | 38.4 | 33% | 0.329 | 20% | 0.2 | S | C | . | . | trans | -93.5 | 173.5 | 176.2 | 68.8 | 0 | 0 | 0 | 0 | 113 | L626 D631 S635 | L626-S628 PolarHBondContact O-N 2.95Å; L626-S628 VanDerWaalsContact O-N 3.14Å; S628-D631 PolarHBondContact OG-N 3.44Å; S628-S635 PolarHBondContact N-OG 3.16Å; S628-S635 PolarHBondContact O-OG 2.99Å | ||
| 629 | D | 75 | Confident | 90.6 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 45% | 0.449 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -88.5 | -13.7 | 169.6 | -96.4 | -84.5 | 0 | 0 | 0 | 114 | R667 R670 | D629-R667 VanDerWaalsContact CG-NH1 3.34Å; D629-R667 IonicContact OD1-CZ 2.73Å; D629-R667 IonicContact OD1-NH1 2.86Å; D629-R667 PolarHBondContact OD1-NH1 2.7Å; D629-R667 IonicContact OD1-NH2 3.56Å; D629-R667 PolarHBondContact OD1-NH2 2.69Å; D629-R667 IonicContact OD2-CZ 3.67Å; D629-R667 IonicContact OD2-NH1 3.9Å; D629-R667 IonicContact OD2-NH2 2.75Å; D629-R667 PolarHBondContact OD2-NH2 3.33Å; D629-R670 PolarHBondContact O-NH2 2.98Å; D629-R670 IonicContact OD1-CZ 3.84Å; D629-R670 VanDerWaalsContact OD1-CZ 3.31Å; D629-R670 IonicContact OD1-NH1 3.93Å; D629-R670 PolarHBondContact OD1-NH1 2.93Å; D629-R670 IonicContact OD1-NH2 2.76Å; D629-R670 PolarHBondContact OD1-NH2 2.93Å; D629-R670 VanDerWaalsContact OD1-NH2 3.16Å |
| 630 | E | 78.4 | Confident | 90.7 | Very high | 166 Ų | 166 | 35.3 Ų | 35.3 | 78% | 0.776 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -71.5 | -53.9 | 178.9 | -49.5 | -53.4 | 140.3 | 0 | 0 | 111.8 | D632 | E630-D632 PolarHBondContact O-N 2.99Š|
| 631 | D | 85.9 | Confident | 90.7 | Very high | 64 Ų | 64 | 35 Ų | 35 | 34% | 0.342 | 18% | 0.182 | S | C | . | . | trans | -102.9 | 69 | -174.7 | -95 | -53.9 | 0 | 0 | 0 | 111.1 | S628 L633 I634 S635 | S628-D631 PolarHBondContact OG-N 3.44Å; D631-L633 PolarHBondContact O-N 3.34Å; D631-I634 HydrophobicContact CB-CB 4.05Å; D631-I634 HydrophobicContact CB-CD1 3.99Å; D631-I634 HydrophobicContact CB-CG1 4.06Å; D631-I634 PolarHBondContact O-N 3.27Å; D631-S635 PolarHBondContact O-N 3.28Å | ||
| 632 | D | 91.4 | Very high | 90.7 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 12% | 0.123 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -49.2 | -33.8 | 178.7 | -86.7 | -55 | 0 | 0 | 0 | 113.7 | E630 G636 R667 R670 A671 | E630-D632 PolarHBondContact O-N 2.99Å; D632-G636 PolarHBondContact O-N 3.09Å; D632-R667 WeakPolarHBondContact O-CB 3.32Å; D632-R667 WeakPolarHBondContact OD1-CD 3.35Å; D632-R667 IonicContact OD1-CZ 3.2Å; D632-R667 IonicContact OD1-NE 3.85Å; D632-R667 IonicContact OD1-NH1 3.33Å; D632-R667 PolarHBondContact OD1-NH1 2.77Å; D632-R670 HydrophobicContact CB-CB 4.07Å; D632-R670 VanDerWaalsContact CG-CB 3.47Å; D632-R670 IonicContact OD1-CZ 3.38Å; D632-R670 VanDerWaalsContact OD1-CZ 3.29Å; D632-R670 IonicContact OD1-NE 3.97Å; D632-R670 PolarHBondContact OD1-NE 2.99Å; D632-R670 IonicContact OD1-NH2 3.37Å; D632-R670 PolarHBondContact OD1-NH2 2.98Å; D632-R670 VanDerWaalsContact OD2-CB 3.29Å; D632-R670 WeakPolarHBondContact OD2-CB 3.41Å; D632-R670 IonicContact OD2-CZ 3.28Å; D632-R670 IonicContact OD2-NE 3.5Å; D632-R670 PolarHBondContact OD2-NE 3.16Å; D632-R670 IonicContact OD2-NH2 2.66Å; D632-R670 PolarHBondContact OD2-NH2 2.8Å; D632-A671 HydrophobicContact CB-CB 4.01Å |
| 633 | L | 91.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 7% | 0.068 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.1 | -49.5 | 177.1 | -178.2 | 63.3 | 0 | 0 | 0 | 111.9 | R90 V93 D631 G636 L637 A671 Q673 | R90-L633 HydrophobicContact CG-CD2 3.72Å; V93-L633 HydrophobicContact CG1-CD1 4.23Å; D631-L633 PolarHBondContact O-N 3.34Å; L633-G636 PolarHBondContact O-N 3.24Å; L633-L637 HydrophobicContact CD1-CD1 4.31Å; L633-L637 HydrophobicContact CG-CD1 4.05Å; L633-L637 WeakPolarHBondContact O-CD1 3.46Å; L633-L637 VanDerWaalsContact O-CG 3.29Å; L633-L637 WeakPolarHBondContact O-CG 3.44Å; L633-L637 PolarHBondContact O-N 2.96Å; L633-A671 HydrophobicContact CB-CB 4.02Å; L633-A671 HydrophobicContact CD1-CB 4.31Å; L633-Q673 HydrophobicContact CD1-CG 3.78Å |
| 634 | I | 91.8 | Very high | 90.7 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 16% | 0.159 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -46.6 | -179.5 | -57.1 | -179.4 | 0 | 0 | 0 | 108.6 | W126 L600 D631 G636 L637 L638 | W126-I634 HydrophobicContact CH2-CG2 4.22Å; W126-I634 HydrophobicContact CZ2-CB 4.4Å; W126-I634 HydrophobicContact CZ2-CD1 4.34Å; W126-I634 HydrophobicContact CZ2-CG1 4Å; W126-I634 HydrophobicContact CZ2-CG2 3.84Å; L600-I634 HydrophobicContact CD1-CG2 4.35Å; L600-I634 HydrophobicContact CD2-CD1 4.16Å; L600-I634 HydrophobicContact CD2-CG2 4.21Å; D631-I634 HydrophobicContact CB-CB 4.05Å; D631-I634 HydrophobicContact CB-CD1 3.99Å; D631-I634 HydrophobicContact CB-CG1 4.06Å; D631-I634 PolarHBondContact O-N 3.27Å; I634-G636 VanDerWaalsContact C-N 3.3Å; I634-G636 PolarHBondContact O-N 2.8Å; I634-L637 PolarHBondContact O-N 2.92Å; I634-L637 VanDerWaalsContact O-N 3.13Å; I634-L638 HydrophobicContact CG2-CD1 3.96Å; I634-L638 HydrophobicContact CG2-CG 4.02Å; I634-L638 WeakPolarHBondContact O-CG 3.47Å; I634-L638 PolarHBondContact O-N 3.27Å |
| 635 | S | 93 | Very high | 90.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.1 | -42.9 | 173.1 | -79.3 | 0 | 0 | 0 | 0 | 112.8 | T627 S628 D631 I639 | T627-S635 VanDerWaalsContact CA-OG 3.28Å; T627-S635 WeakPolarHBondContact CA-OG 3.46Å; S628-S635 PolarHBondContact N-OG 3.16Å; S628-S635 PolarHBondContact O-OG 2.99Å; D631-S635 PolarHBondContact O-N 3.28Å; S635-I639 VanDerWaalsContact O-CB 3.28Å; S635-I639 WeakPolarHBondContact O-CB 3.5Å; S635-I639 VanDerWaalsContact O-CD1 3.28Å; S635-I639 WeakPolarHBondContact O-CD1 3.37Å; S635-I639 WeakPolarHBondContact O-CG1 3.16Å; S635-I639 PolarHBondContact O-N 3.36Å |
| 636 | G | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.5 | -49.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | D632 L633 I634 I639 E640 Y668 | D632-G636 PolarHBondContact O-N 3.09Å; L633-G636 PolarHBondContact O-N 3.24Å; I634-G636 VanDerWaalsContact C-N 3.3Å; I634-G636 PolarHBondContact O-N 2.8Å; G636-I639 PolarHBondContact O-N 3.39Å; G636-E640 PolarHBondContact O-N 2.97Å; G636-Y668 PolarHBondContact O-OH 3.19Å |
| 637 | L | 94 | Very high | 90.8 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 178.9 | -70.9 | 164.2 | 0 | 0 | 0 | 113 | F123 W126 L633 I634 Q641 Y668 | F123-L637 HydrophobicContact CB-CD2 4.42Å; F123-L637 HydrophobicContact CD2-CB 4.18Å; F123-L637 HydrophobicContact CD2-CD2 4.39Å; W126-L637 HydrophobicContact CB-CD1 4.07Å; W126-L637 VanDerWaalsContact CD1-CD1 3.46Å; W126-L637 HydrophobicContact CD2-CD1 3.63Å; W126-L637 HydrophobicContact CE3-CD1 4.3Å; W126-L637 HydrophobicContact CG-CD1 3.45Å; W126-L637 VanDerWaalsContact CG-CD1 3.45Å; L633-L637 HydrophobicContact CD1-CD1 4.31Å; L633-L637 HydrophobicContact CG-CD1 4.05Å; L633-L637 WeakPolarHBondContact O-CD1 3.46Å; L633-L637 VanDerWaalsContact O-CG 3.29Å; L633-L637 WeakPolarHBondContact O-CG 3.44Å; L633-L637 PolarHBondContact O-N 2.96Å; I634-L637 PolarHBondContact O-N 2.92Å; I634-L637 VanDerWaalsContact O-N 3.13Å; L637-Q641 PolarHBondContact O-N 3.15Å; L637-Y668 WeakPolarHBondContact CA-OH 3.5Å; L637-Y668 HydrophobicContact CD2-CE1 4.26Å; L637-Y668 HydrophobicContact CG-CE1 4.13Å |
| 638 | L | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.7 | -40.6 | 178.3 | -62.5 | -170.6 | 0 | 0 | 0 | 111.5 | F123 W126 L600 L604 L623 L626 T627 I634 E640 Q641 V642 | F123-L638 HydrophobicContact CE2-CD2 4.43Å; W126-L638 HydrophobicContact CH2-CD2 4.31Å; L600-L638 HydrophobicContact CD1-CD1 4.21Å; L604-L638 HydrophobicContact CD2-CD2 4.31Å; L623-L638 HydrophobicContact CB-CB 4.45Å; L623-L638 HydrophobicContact CD1-CD2 4.49Å; L623-L638 HydrophobicContact CD2-CD2 4.08Å; L626-L638 HydrophobicContact CB-CD1 3.9Å; T627-L638 HydrophobicContact CG2-CB 4.18Å; I634-L638 HydrophobicContact CG2-CD1 3.96Å; I634-L638 HydrophobicContact CG2-CG 4.02Å; I634-L638 WeakPolarHBondContact O-CG 3.47Å; I634-L638 PolarHBondContact O-N 3.27Å; L638-E640 VanDerWaalsContact C-N 3.35Å; L638-E640 PolarHBondContact O-N 3.24Å; L638-Q641 PolarHBondContact O-N 3.35Å; L638-V642 VanDerWaalsContact O-CG2 3.29Å; L638-V642 WeakPolarHBondContact O-CG2 3.16Å; L638-V642 PolarHBondContact O-N 2.97Å |
| 639 | I | 95.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.6 | -31.4 | -179.7 | -65.6 | 167.1 | 0 | 0 | 0 | 111.8 | T627 S635 G636 V642 A643 R660 L663 A664 R667 | T627-I639 HydrophobicContact CG2-CD1 3.94Å; T627-I639 HydrophobicContact CG2-CG1 3.56Å; S635-I639 VanDerWaalsContact O-CB 3.28Å; S635-I639 WeakPolarHBondContact O-CB 3.5Å; S635-I639 VanDerWaalsContact O-CD1 3.28Å; S635-I639 WeakPolarHBondContact O-CD1 3.37Å; S635-I639 WeakPolarHBondContact O-CG1 3.16Å; S635-I639 PolarHBondContact O-N 3.36Å; G636-I639 PolarHBondContact O-N 3.39Å; I639-V642 WeakPolarHBondContact O-CB 3.44Å; I639-V642 PolarHBondContact O-N 3.46Å; I639-A643 PolarHBondContact O-N 3.36Å; I639-R660 HydrophobicContact CG2-CB 4.24Å; I639-R660 VanDerWaalsContact CG2-O 3.23Å; I639-R660 WeakPolarHBondContact CG2-O 3.28Å; I639-L663 HydrophobicContact CD1-CD2 3.91Å; I639-L663 HydrophobicContact CD1-CG 4.01Å; I639-L663 HydrophobicContact CG2-CB 4.17Å; I639-L663 HydrophobicContact CG2-CD2 4.25Å; I639-L663 HydrophobicContact CG2-CG 4.3Å; I639-A664 HydrophobicContact CB-CB 4.18Å; I639-A664 HydrophobicContact CG2-CB 3.99Å; I639-R667 HydrophobicContact CD1-CG 4.19Å |
| 640 | E | 95.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 169.6 | 178.1 | 162.8 | -138.1 | 0 | 0 | 111.4 | L120 W122 G636 L638 V642 A643 H644 M661 A664 Y668 R679 | L120-E640 HydrophobicContact CD1-CG 3.82Å; W122-E640 PolarHBondContact NE1-OE2 3.38Å; G636-E640 PolarHBondContact O-N 2.97Å; L638-E640 VanDerWaalsContact C-N 3.35Å; L638-E640 PolarHBondContact O-N 3.24Å; E640-V642 VanDerWaalsContact C-N 3.32Å; E640-V642 PolarHBondContact O-N 3.35Å; E640-A643 WeakPolarHBondContact O-CB 3.26Å; E640-A643 PolarHBondContact O-N 2.92Å; E640-H644 PolarHBondContact O-CD2 2.72Å; E640-H644 VanDerWaalsContact O-CD2 3.31Å; E640-H644 PolarHBondContact O-N 2.85Å; E640-M661 HydrophobicContact CB-SD 4.5Å; E640-M661 HydrophobicContact CG-CE 4.09Å; E640-M661 HydrophobicContact CG-SD 4.06Å; E640-M661 WeakPolarHBondContact OE1-CE 3.48Å; E640-A664 HydrophobicContact CB-CB 4.25Å; E640-Y668 PolarHBondContact OE2-OH 3.08Å; E640-R679 IonicContact OE1-CZ 3.61Å; E640-R679 IonicContact OE1-NH1 2.68Å; E640-R679 PolarHBondContact OE1-NH1 3.41Å; E640-R679 IonicContact OE1-NH2 3.39Å; E640-R679 PolarHBondContact OE1-NH2 2.84Å; E640-R679 IonicContact OE2-CZ 3.41Å; E640-R679 IonicContact OE2-NH2 2.85Å; E640-R679 PolarHBondContact OE2-NH2 2.83Å |
| 641 | Q | 94.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.2 | -34.8 | 175.6 | -68.4 | -58.4 | -16.2 | 0 | 0 | 113.2 | F123 F607 L623 L637 L638 H644 C645 | F123-Q641 HydrophobicContact CD1-CG 4.16Å; F123-Q641 HydrophobicContact CD2-CG 3.76Å; F123-Q641 HydrophobicContact CE1-CG 3.99Å; F123-Q641 HydrophobicContact CE2-CG 3.58Å; F123-Q641 HydrophobicContact CG-CG 4.05Å; F123-Q641 HydrophobicContact CZ-CG 3.71Å; F607-Q641 HydrophobicContact CE1-CB 4.48Å; F607-Q641 HydrophobicContact CE2-CB 4.45Å; F607-Q641 HydrophobicContact CZ-CB 3.85Å; F607-Q641 HydrophobicContact CZ-CG 4.4Å; L623-Q641 HydrophobicContact CD1-CB 3.48Å; L623-Q641 VanDerWaalsContact CD1-CB 3.48Å; L637-Q641 PolarHBondContact O-N 3.15Å; L638-Q641 PolarHBondContact O-N 3.35Å; Q641-H644 CarbonylContact O-C 3.54Å; Q641-H644 PolarHBondContact O-N 3.31Å; Q641-C645 PolarHBondContact O-N 3.24Å; Q641-C645 PolarHBondContact O-SG 3.45Å |
| 642 | V | 94.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 170.6 | 166.3 | 0 | 0 | 0 | 0 | 111 | A620 L623 I624 L638 I639 E640 H644 C645 V646 R660 | A620-V642 HydrophobicContact CB-CG1 4.25Å; L623-V642 HydrophobicContact CB-CG2 3.62Å; L623-V642 HydrophobicContact CD1-CG2 4.17Å; L623-V642 HydrophobicContact CG-CG2 4.47Å; I624-V642 HydrophobicContact CD1-CG1 3.9Å; I624-V642 HydrophobicContact CD1-CG2 4.44Å; I624-V642 HydrophobicContact CG1-CG1 4.02Å; I624-V642 HydrophobicContact CG1-CG2 3.78Å; L638-V642 VanDerWaalsContact O-CG2 3.29Å; L638-V642 WeakPolarHBondContact O-CG2 3.16Å; L638-V642 PolarHBondContact O-N 2.97Å; I639-V642 WeakPolarHBondContact O-CB 3.44Å; I639-V642 PolarHBondContact O-N 3.46Å; E640-V642 VanDerWaalsContact C-N 3.32Å; E640-V642 PolarHBondContact O-N 3.35Å; V642-H644 VanDerWaalsContact C-N 3.33Å; V642-H644 PolarHBondContact O-N 2.72Å; V642-C645 PolarHBondContact O-N 2.65Å; V642-C645 VanDerWaalsContact O-N 3.12Å; V642-V646 WeakPolarHBondContact O-CG2 3.22Å; V642-V646 PolarHBondContact O-N 2.95Å; V642-R660 HydrophobicContact CG1-CG 4.13Å |
| 643 | A | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.7 | -47.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I639 E640 C645 V646 L647 F657 R660 M661 | I639-A643 PolarHBondContact O-N 3.36Å; E640-A643 WeakPolarHBondContact O-CB 3.26Å; E640-A643 PolarHBondContact O-N 2.92Å; A643-C645 VanDerWaalsContact C-N 3.28Å; A643-C645 PolarHBondContact O-N 2.67Å; A643-V646 WeakPolarHBondContact O-CB 3.12Å; A643-V646 PolarHBondContact O-N 3.47Å; A643-L647 PolarHBondContact O-N 3.4Å; A643-F657 HydrophobicContact CB-CD2 3.69Å; A643-F657 HydrophobicContact CB-CE2 4.12Å; A643-R660 HydrophobicContact CB-CB 3.71Å; A643-M661 HydrophobicContact CB-CG 3.85Å; A643-M661 HydrophobicContact CB-SD 3.48Å; A643-M661 WeakPolarHBondContact CB-SD 3.38Å |
| 644 | H | 92.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -21.8 | 177.7 | -81.4 | -115.4 | 0 | 0 | 0 | 114.1 | M1 V116 P117 E640 Q641 V642 S648 | M1-H644 PolarHBondContact N-O 3.28Å; V116-H644 WeakPolarHBondContact CG1-CE1 3.49Å; P117-H644 PolarHBondContact O-CE1 2.99Å; E640-H644 PolarHBondContact O-CD2 2.72Å; E640-H644 VanDerWaalsContact O-CD2 3.31Å; E640-H644 PolarHBondContact O-N 2.85Å; Q641-H644 CarbonylContact O-C 3.54Å; Q641-H644 PolarHBondContact O-N 3.31Å; V642-H644 VanDerWaalsContact C-N 3.33Å; V642-H644 PolarHBondContact O-N 2.72Å; H644-S648 PolarHBondContact O-OG 2.94Å |
| 645 | C | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.6 | -37.6 | 171.4 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | M1 F607 A620 Q641 V642 A643 L647 S648 L649 | M1-C645 PolarHBondContact N-SG 2.78Å; F607-C645 VanDerWaalsContact CE2-SG 3.5Å; A620-C645 HydrophobicContact CB-CB 4.17Å; Q641-C645 PolarHBondContact O-N 3.24Å; Q641-C645 PolarHBondContact O-SG 3.45Å; V642-C645 PolarHBondContact O-N 2.65Å; V642-C645 VanDerWaalsContact O-N 3.12Å; A643-C645 VanDerWaalsContact C-N 3.28Å; A643-C645 PolarHBondContact O-N 2.67Å; C645-L647 PolarHBondContact O-N 2.69Å; C645-S648 PolarHBondContact O-N 3.34Å; C645-L649 PolarHBondContact O-N 2.94Å |
| 646 | V | 91.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -25.1 | 173.6 | 170.7 | 0 | 0 | 0 | 0 | 112.9 | V642 A643 M653 K656 | V642-V646 WeakPolarHBondContact O-CG2 3.22Å; V642-V646 PolarHBondContact O-N 2.95Å; A643-V646 WeakPolarHBondContact O-CB 3.12Å; A643-V646 PolarHBondContact O-N 3.47Å; V646-M653 HydrophobicContact CG1-CB 3.73Å; V646-M653 HydrophobicContact CG1-CG 4.45Å; V646-M653 PolarHBondContact O-N 2.96Å; V646-K656 HydrophobicContact CG1-CB 3.69Å; V646-K656 HydrophobicContact CG1-CD 4.08Å; V646-K656 HydrophobicContact CG1-CG 3.83Å; V646-K656 HydrophobicContact CG2-CD 4.16Å; V646-K656 HydrophobicContact CG2-CG 4.18Å |
| 647 | L | 90.2 | Very high | 91 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -79.6 | -24.2 | 169.5 | -68.8 | -176.8 | 0 | 0 | 0 | 114.5 | F107 V116 A643 C645 L654 F657 | F107-L647 HydrophobicContact CD1-CB 4.19Å; F107-L647 HydrophobicContact CD2-CD1 4.13Å; F107-L647 HydrophobicContact CE1-CB 3.99Å; F107-L647 WeakPolarHBondContact CE1-O 3.26Å; F107-L647 HydrophobicContact CE2-CD1 4.19Å; F107-L647 HydrophobicContact CG-CD1 4.4Å; F107-L647 HydrophobicContact CG-CD2 4.43Å; F107-L647 HydrophobicContact CZ-CB 4.28Å; V116-L647 HydrophobicContact CB-CD1 4.33Å; V116-L647 HydrophobicContact CG1-CD1 4.1Å; V116-L647 HydrophobicContact CG2-CD1 3.91Å; A643-L647 PolarHBondContact O-N 3.4Å; C645-L647 PolarHBondContact O-N 2.69Å; L647-L654 HydrophobicContact CD2-CD2 3.53Å; L647-F657 HydrophobicContact CD1-CD1 4.44Å; L647-F657 HydrophobicContact CD1-CD2 3.38Å; L647-F657 HydrophobicContact CD1-CE2 3.47Å; L647-F657 VanDerWaalsContact CD1-CE2 3.47Å; L647-F657 HydrophobicContact CD1-CG 3.91Å; L647-F657 HydrophobicContact CD1-CZ 4.05Å; L647-F657 HydrophobicContact CD2-CB 3.72Å; L647-F657 HydrophobicContact CD2-CD1 4.32Å; L647-F657 HydrophobicContact CD2-CD2 4.04Å; L647-F657 HydrophobicContact CD2-CG 3.77Å; L647-F657 HydrophobicContact CG-CB 3.97Å; L647-F657 HydrophobicContact CG-CD2 3.5Å; L647-F657 HydrophobicContact CG-CE2 4.14Å; L647-F657 HydrophobicContact CG-CG 3.79Å |
| 648 | S | 88.2 | Confident | 90.9 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -84.6 | -6.9 | -178.8 | -52.7 | 0 | 0 | 0 | 0 | 113.9 | M1 Y616 H644 C645 | M1-S648 PolarHBondContact N-OG 2.82Å; M1-S648 PolarHBondContact O-OG 3.42Å; Y616-S648 VanDerWaalsContact CD2-CB 3.44Å; Y616-S648 WeakPolarHBondContact CD2-O 3.21Å; Y616-S648 VanDerWaalsContact CE2-O 3.31Å; Y616-S648 WeakPolarHBondContact CE2-O 3.17Å; H644-S648 PolarHBondContact O-OG 2.94Å; C645-S648 PolarHBondContact O-N 3.34Å |
| 649 | L | 88.3 | Confident | 90.8 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 16% | 0.157 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -62 | 151 | 176.3 | -63.8 | 172.2 | 0 | 0 | 0 | 111.7 | N617 C645 R651 M653 | N617-L649 VanDerWaalsContact OD1-CD2 3.27Å; N617-L649 WeakPolarHBondContact OD1-CD2 3.37Å; C645-L649 PolarHBondContact O-N 2.94Å; L649-R651 CarbonylContact O-C 3.53Å; L649-R651 PolarHBondContact O-N 3.36Å; L649-M653 HydrophobicContact CD1-CG 4.32Å; L649-M653 HydrophobicContact CD1-SD 4.07Å |
| 650 | K | 83.2 | Confident | 90.8 | Very high | 232 Ų | 232 | 48.6 Ų | 48.6 | 100% | 1.009 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -47.9 | -30.2 | 176.7 | -68.7 | -177 | 178.8 | 178 | 0 | 113.4 | ||
| 651 | R | 84.2 | Confident | 90.8 | Very high | 215 Ų | 215 | 48.6 Ų | 48.6 | 81% | 0.811 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -122.5 | 103.6 | 166.9 | -174.8 | 176.9 | -175.6 | 171.1 | 2.8 | 108.8 | L649 M653 | L649-R651 CarbonylContact O-C 3.53Å; L649-R651 PolarHBondContact O-N 3.36Å; R651-M653 PolarHBondContact O-N 3.35Å |
| 652 | P | 86.7 | Confident | 90.8 | Very high | 38 Ų | 38 | 48.9 Ų | 48.9 | 25% | 0.247 | 22% | 0.216 | C | C | . | . | trans | -60.9 | 125.3 | -178.7 | -26 | 35.4 | 0 | 0 | 0 | 112.3 | F107 L654 | F107-P652 HydrophobicContact CD1-CB 4.45Å; F107-P652 HydrophobicContact CD1-CG 4.39Å; P652-L654 PolarHBondContact O-N 2.92Å | ||
| 653 | M | 89.1 | Confident | 90.8 | Very high | 81 Ų | 81 | 52.2 Ų | 52.2 | 40% | 0.399 | 23% | 0.234 | S | C | . | . | trans | -96.9 | 77.4 | -176 | -52.3 | 178.4 | 79 | 0 | 0 | 111.4 | V646 L649 R651 R655 K656 F657 | V646-M653 HydrophobicContact CG1-CB 3.73Å; V646-M653 HydrophobicContact CG1-CG 4.45Å; V646-M653 PolarHBondContact O-N 2.96Å; L649-M653 HydrophobicContact CD1-CG 4.32Å; L649-M653 HydrophobicContact CD1-SD 4.07Å; R651-M653 PolarHBondContact O-N 3.35Å; M653-R655 VanDerWaalsContact C-N 3.26Å; M653-R655 PolarHBondContact O-N 2.64Å; M653-R655 VanDerWaalsContact O-N 3.12Å; M653-K656 HydrophobicContact CB-CB 3.98Å; M653-K656 HydrophobicContact CE-CD 4.23Å; M653-K656 PolarHBondContact O-N 3.44Å; M653-K656 HydrophobicContact SD-CD 3.93Å; M653-F657 PolarHBondContact O-N 3.04Å | ||
| 654 | L | 88.4 | Confident | 90.8 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -52.5 | -38.4 | -173.3 | -61.4 | -170.5 | 0 | 0 | 0 | 114.1 | F107 D109 R112 V114 L647 P652 F657 A658 I687 | F107-L654 HydrophobicContact CB-CD2 4.04Å; D109-L654 HydrophobicContact CB-CD1 3.85Å; D109-L654 HydrophobicContact CB-CG 4.14Å; R112-L654 HydrophobicContact CB-CD1 3.94Å; V114-L654 HydrophobicContact CG1-CD2 3.81Å; L647-L654 HydrophobicContact CD2-CD2 3.53Å; P652-L654 PolarHBondContact O-N 2.92Å; L654-F657 PolarHBondContact O-N 3.39Å; L654-A658 WeakPolarHBondContact O-CB 3.29Å; L654-A658 PolarHBondContact O-N 2.85Å; L654-I687 HydrophobicContact CB-CD1 4.3Å; L654-I687 HydrophobicContact CB-CG2 4.32Å |
| 655 | R | 89.3 | Confident | 91 | Very high | 109 Ų | 109 | 51.9 Ų | 51.9 | 41% | 0.411 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 173.8 | -177.7 | 173.7 | -174.1 | -154.5 | -0.9 | 112.2 | M653 F657 A658 F659 W693 | M653-R655 VanDerWaalsContact C-N 3.26Å; M653-R655 PolarHBondContact O-N 2.64Å; M653-R655 VanDerWaalsContact O-N 3.12Å; R655-F657 VanDerWaalsContact C-N 3.34Å; R655-A658 PolarHBondContact O-N 3.04Å; R655-F659 HydrophobicContact CG-CD2 4.02Å; R655-F659 HydrophobicContact CG-CE2 4.07Å; R655-F659 WeakPolarHBondContact O-CD2 3.06Å; R655-F659 PolarHBondContact O-N 2.96Å; R655-F659 VanDerWaalsContact O-N 3.09Å; R655-W693 HydrophobicContact CB-CH2 4.47Å; R655-W693 HydrophobicContact CG-CH2 3.73Å; R655-W693 HydrophobicContact CG-CZ3 4.4Å |
| 656 | K | 90.3 | Very high | 91.1 | Very high | 94 Ų | 94 | 55.1 Ų | 55.1 | 41% | 0.409 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.7 | -30.9 | -178.4 | -173.1 | 176.6 | -177.5 | 172.5 | 0 | 111.3 | V646 M653 R660 | V646-K656 HydrophobicContact CG1-CB 3.69Å; V646-K656 HydrophobicContact CG1-CD 4.08Å; V646-K656 HydrophobicContact CG1-CG 3.83Å; V646-K656 HydrophobicContact CG2-CD 4.16Å; V646-K656 HydrophobicContact CG2-CG 4.18Å; M653-K656 HydrophobicContact CB-CB 3.98Å; M653-K656 HydrophobicContact CE-CD 4.23Å; M653-K656 PolarHBondContact O-N 3.44Å; M653-K656 HydrophobicContact SD-CD 3.93Å; K656-R660 WeakPolarHBondContact O-CB 3.28Å; K656-R660 VanDerWaalsContact O-CG 3.23Å; K656-R660 WeakPolarHBondContact O-CG 3.41Å; K656-R660 PolarHBondContact O-N 3.49Å |
| 657 | F | 93.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61 | -53.3 | 165.6 | 165 | -96.3 | 0 | 0 | 0 | 111.5 | V114 V116 A643 L647 M653 L654 R655 F659 R660 M661 I687 | V114-F657 HydrophobicContact CG2-CE1 4.38Å; V116-F657 HydrophobicContact CG1-CE2 4.24Å; V116-F657 HydrophobicContact CG1-CZ 4.12Å; V116-F657 HydrophobicContact CG2-CE1 4.27Å; V116-F657 HydrophobicContact CG2-CE2 4.5Å; V116-F657 HydrophobicContact CG2-CZ 3.85Å; A643-F657 HydrophobicContact CB-CD2 3.69Å; A643-F657 HydrophobicContact CB-CE2 4.12Å; L647-F657 HydrophobicContact CD1-CD1 4.44Å; L647-F657 HydrophobicContact CD1-CD2 3.38Å; L647-F657 HydrophobicContact CD1-CE2 3.47Å; L647-F657 VanDerWaalsContact CD1-CE2 3.47Å; L647-F657 HydrophobicContact CD1-CG 3.91Å; L647-F657 HydrophobicContact CD1-CZ 4.05Å; L647-F657 HydrophobicContact CD2-CB 3.72Å; L647-F657 HydrophobicContact CD2-CD1 4.32Å; L647-F657 HydrophobicContact CD2-CD2 4.04Å; L647-F657 HydrophobicContact CD2-CG 3.77Å; L647-F657 HydrophobicContact CG-CB 3.97Å; L647-F657 HydrophobicContact CG-CD2 3.5Å; L647-F657 HydrophobicContact CG-CE2 4.14Å; L647-F657 HydrophobicContact CG-CG 3.79Å; M653-F657 PolarHBondContact O-N 3.04Å; L654-F657 PolarHBondContact O-N 3.39Å; R655-F657 VanDerWaalsContact C-N 3.34Å; F657-F659 PolarHBondContact O-N 3.44Å; F657-R660 PolarHBondContact O-N 3.15Å; F657-R660 VanDerWaalsContact O-N 3.08Å; F657-M661 HydrophobicContact CD1-CG 4.31Å; F657-M661 HydrophobicContact CD2-CG 3.86Å; F657-M661 HydrophobicContact CD2-SD 4.48Å; F657-M661 HydrophobicContact CE1-CG 3.91Å; F657-M661 HydrophobicContact CE2-CG 3.41Å; F657-M661 VanDerWaalsContact CE2-CG 3.41Å; F657-M661 HydrophobicContact CE2-SD 3.83Å; F657-M661 HydrophobicContact CG-CG 4.29Å; F657-M661 HydrophobicContact CZ-CG 3.45Å; F657-M661 VanDerWaalsContact CZ-CG 3.45Å; F657-M661 HydrophobicContact CZ-SD 4.23Å; F657-M661 PolarHBondContact O-N 2.88Å; F657-I687 HydrophobicContact CD1-CD1 3.53Å; F657-I687 HydrophobicContact CE1-CD1 3.81Å |
| 658 | A | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L654 R655 R660 M661 A662 T684 I687 | L654-A658 WeakPolarHBondContact O-CB 3.29Å; L654-A658 PolarHBondContact O-N 2.85Å; R655-A658 PolarHBondContact O-N 3.04Å; A658-R660 VanDerWaalsContact C-N 3.35Å; A658-R660 PolarHBondContact O-N 3.22Å; A658-M661 PolarHBondContact O-N 3.34Å; A658-A662 PolarHBondContact O-N 3.36Å; A658-T684 HydrophobicContact CB-CG2 4.04Å; A658-T684 WeakPolarHBondContact O-CG2 3.14Å; A658-I687 HydrophobicContact CB-CB 3.99Å; A658-I687 HydrophobicContact CB-CD1 4.03Å; A658-I687 HydrophobicContact CB-CG2 3.79Å |
| 659 | F | 93.6 | Very high | 91.7 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 43% | 0.425 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.3 | -33.8 | 176.8 | -84.6 | -88.8 | 0 | 0 | 0 | 113 | R655 F657 L663 W693 L696 | R655-F659 HydrophobicContact CG-CD2 4.02Å; R655-F659 HydrophobicContact CG-CE2 4.07Å; R655-F659 WeakPolarHBondContact O-CD2 3.06Å; R655-F659 PolarHBondContact O-N 2.96Å; R655-F659 VanDerWaalsContact O-N 3.09Å; F657-F659 PolarHBondContact O-N 3.44Å; F659-L663 WeakPolarHBondContact O-CB 3.41Å; F659-L663 PolarHBondContact O-N 3.31Å; F659-L663 VanDerWaalsContact O-N 3.15Å; F659-W693 HydrophobicContact CE2-CE3 4.2Å; F659-W693 HydrophobicContact CE2-CH2 4.29Å; F659-W693 AromaticContact CE2-CZ3 3.84Å; F659-W693 HydrophobicContact CE2-CZ3 3.84Å; F659-W693 HydrophobicContact CZ-CE3 4.49Å; F659-L696 HydrophobicContact CE1-CD2 4.12Å; F659-L696 HydrophobicContact CE2-CD2 4.44Å; F659-L696 HydrophobicContact CZ-CD2 3.94Å |
| 660 | R | 95 | Very high | 91.9 | Very high | 67 Ų | 67 | 59 Ų | 59 | 25% | 0.253 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -72.9 | -39.4 | 174.9 | -69.3 | -72.8 | 173.5 | 173.7 | -3.5 | 111.6 | I639 V642 A643 K656 F657 A658 A662 L663 A664 | I639-R660 HydrophobicContact CG2-CB 4.24Å; I639-R660 VanDerWaalsContact CG2-O 3.23Å; I639-R660 WeakPolarHBondContact CG2-O 3.28Å; V642-R660 HydrophobicContact CG1-CG 4.13Å; A643-R660 HydrophobicContact CB-CB 3.71Å; K656-R660 WeakPolarHBondContact O-CB 3.28Å; K656-R660 VanDerWaalsContact O-CG 3.23Å; K656-R660 WeakPolarHBondContact O-CG 3.41Å; K656-R660 PolarHBondContact O-N 3.49Å; F657-R660 PolarHBondContact O-N 3.15Å; F657-R660 VanDerWaalsContact O-N 3.08Å; A658-R660 VanDerWaalsContact C-N 3.35Å; A658-R660 PolarHBondContact O-N 3.22Å; R660-A662 PolarHBondContact O-N 2.98Å; R660-L663 PolarHBondContact O-N 3.44Å; R660-A664 PolarHBondContact O-N 3.39Å |
| 661 | M | 95.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 173.3 | -70.1 | -51.3 | -64.8 | 0 | 0 | 112.9 | E640 A643 F657 A658 L663 A664 A665 S683 T684 | E640-M661 HydrophobicContact CB-SD 4.5Å; E640-M661 HydrophobicContact CG-CE 4.09Å; E640-M661 HydrophobicContact CG-SD 4.06Å; E640-M661 WeakPolarHBondContact OE1-CE 3.48Å; A643-M661 HydrophobicContact CB-CG 3.85Å; A643-M661 HydrophobicContact CB-SD 3.48Å; A643-M661 WeakPolarHBondContact CB-SD 3.38Å; F657-M661 HydrophobicContact CD1-CG 4.31Å; F657-M661 HydrophobicContact CD2-CG 3.86Å; F657-M661 HydrophobicContact CD2-SD 4.48Å; F657-M661 HydrophobicContact CE1-CG 3.91Å; F657-M661 HydrophobicContact CE2-CG 3.41Å; F657-M661 VanDerWaalsContact CE2-CG 3.41Å; F657-M661 HydrophobicContact CE2-SD 3.83Å; F657-M661 HydrophobicContact CG-CG 4.29Å; F657-M661 HydrophobicContact CZ-CG 3.45Å; F657-M661 VanDerWaalsContact CZ-CG 3.45Å; F657-M661 HydrophobicContact CZ-SD 4.23Å; F657-M661 PolarHBondContact O-N 2.88Å; A658-M661 PolarHBondContact O-N 3.34Å; M661-L663 VanDerWaalsContact C-N 3.34Å; M661-A664 PolarHBondContact O-N 3.3Å; M661-A665 VanDerWaalsContact O-CB 3.29Å; M661-A665 WeakPolarHBondContact O-CB 3.34Å; M661-A665 PolarHBondContact O-N 2.85Å; M661-S683 WeakPolarHBondContact CE-OG 3.23Å; M661-T684 VanDerWaalsContact CB-OG1 3.3Å; M661-T684 WeakPolarHBondContact CB-OG1 3.43Å |
| 662 | A | 94.4 | Very high | 92.5 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A658 R660 A665 H666 T684 | A658-A662 PolarHBondContact O-N 3.36Å; R660-A662 PolarHBondContact O-N 2.98Å; A662-A665 WeakPolarHBondContact O-CB 3.45Å; A662-A665 PolarHBondContact O-N 3.35Å; A662-H666 PolarHBondContact O-N 2.8Å; A662-T684 HydrophobicContact CB-CG2 4.3Å |
| 663 | L | 94.6 | Very high | 92.7 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 37% | 0.372 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.3 | -41.8 | 177 | -174.8 | 63.8 | 0 | 0 | 0 | 112 | I639 F659 R660 M661 A665 H666 R667 | I639-L663 HydrophobicContact CD1-CD2 3.91Å; I639-L663 HydrophobicContact CD1-CG 4.01Å; I639-L663 HydrophobicContact CG2-CB 4.17Å; I639-L663 HydrophobicContact CG2-CD2 4.25Å; I639-L663 HydrophobicContact CG2-CG 4.3Å; F659-L663 WeakPolarHBondContact O-CB 3.41Å; F659-L663 PolarHBondContact O-N 3.31Å; F659-L663 VanDerWaalsContact O-N 3.15Å; R660-L663 PolarHBondContact O-N 3.44Å; M661-L663 VanDerWaalsContact C-N 3.34Å; L663-A665 VanDerWaalsContact C-N 3.32Å; L663-A665 PolarHBondContact O-N 3.23Å; L663-H666 PolarHBondContact O-N 3.2Å; L663-R667 WeakPolarHBondContact O-CG 3.26Å; L663-R667 PolarHBondContact O-N 3.17Å |
| 664 | A | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I639 E640 R660 M661 H666 R667 Y668 | I639-A664 HydrophobicContact CB-CB 4.18Å; I639-A664 HydrophobicContact CG2-CB 3.99Å; E640-A664 HydrophobicContact CB-CB 4.25Å; R660-A664 PolarHBondContact O-N 3.39Å; M661-A664 PolarHBondContact O-N 3.3Å; A664-H666 VanDerWaalsContact C-N 3.33Å; A664-H666 PolarHBondContact O-N 3.03Å; A664-R667 PolarHBondContact O-N 3.47Å; A664-Y668 HydrophobicContact CB-CD2 4.47Å; A664-Y668 HydrophobicContact CB-CE2 4.17Å; A664-Y668 WeakPolarHBondContact O-CB 3.46Å; A664-Y668 WeakPolarHBondContact O-CD2 3.39Å; A664-Y668 PolarHBondContact O-N 2.91Å |
| 665 | A | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M661 A662 L663 A669 A677 Y681 | M661-A665 VanDerWaalsContact O-CB 3.29Å; M661-A665 WeakPolarHBondContact O-CB 3.34Å; M661-A665 PolarHBondContact O-N 2.85Å; A662-A665 WeakPolarHBondContact O-CB 3.45Å; A662-A665 PolarHBondContact O-N 3.35Å; L663-A665 VanDerWaalsContact C-N 3.32Å; L663-A665 PolarHBondContact O-N 3.23Å; A665-A669 WeakPolarHBondContact O-CB 3.31Å; A665-A669 PolarHBondContact O-N 2.67Å; A665-A677 WeakPolarHBondContact O-CB 3.24Å; A665-Y681 HydrophobicContact CB-CD1 3.51Å; A665-Y681 HydrophobicContact CB-CD2 3.56Å; A665-Y681 HydrophobicContact CB-CE1 3.54Å; A665-Y681 HydrophobicContact CB-CE2 3.56Å; A665-Y681 HydrophobicContact CB-CG 3.53Å |
| 666 | H | 94.5 | Very high | 93 | Very high | 68 Ų | 68 | 39.1 Ų | 39.1 | 32% | 0.315 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 173.7 | -179.7 | 76.1 | 0 | 0 | 0 | 112.1 | A662 L663 A664 A669 R670 H699 | A662-H666 PolarHBondContact O-N 2.8Å; L663-H666 PolarHBondContact O-N 3.2Å; A664-H666 VanDerWaalsContact C-N 3.33Å; A664-H666 PolarHBondContact O-N 3.03Å; H666-A669 WeakPolarHBondContact O-CB 3.32Å; H666-A669 PolarHBondContact O-N 3.03Å; H666-R670 PolarHBondContact O-N 3.16Å; H666-H699 AromaticContact ND1-CE1 3.93Å |
| 667 | R | 94.6 | Very high | 93.2 | Very high | 24 Ų | 24 | 34.7 Ų | 34.7 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 173.8 | -73.1 | -64.6 | -173 | -157.6 | -2.2 | 111.9 | D629 D632 I639 L663 A664 A669 R670 A671 | D629-R667 VanDerWaalsContact CG-NH1 3.34Å; D629-R667 IonicContact OD1-CZ 2.73Å; D629-R667 IonicContact OD1-NH1 2.86Å; D629-R667 PolarHBondContact OD1-NH1 2.7Å; D629-R667 IonicContact OD1-NH2 3.56Å; D629-R667 PolarHBondContact OD1-NH2 2.69Å; D629-R667 IonicContact OD2-CZ 3.67Å; D629-R667 IonicContact OD2-NH1 3.9Å; D629-R667 IonicContact OD2-NH2 2.75Å; D629-R667 PolarHBondContact OD2-NH2 3.33Å; D632-R667 WeakPolarHBondContact O-CB 3.32Å; D632-R667 WeakPolarHBondContact OD1-CD 3.35Å; D632-R667 IonicContact OD1-CZ 3.2Å; D632-R667 IonicContact OD1-NE 3.85Å; D632-R667 IonicContact OD1-NH1 3.33Å; D632-R667 PolarHBondContact OD1-NH1 2.77Å; I639-R667 HydrophobicContact CD1-CG 4.19Å; L663-R667 WeakPolarHBondContact O-CG 3.26Å; L663-R667 PolarHBondContact O-N 3.17Å; A664-R667 PolarHBondContact O-N 3.47Å; R667-A669 VanDerWaalsContact C-N 3.33Å; R667-A669 PolarHBondContact O-N 3.39Å; R667-R670 VanDerWaalsContact NH1-CZ 3.32Å; R667-R670 PolarHBondContact O-N 3.22Å; R667-A671 WeakPolarHBondContact O-CB 3.3Å; R667-A671 PolarHBondContact O-N 3.08Å |
| 668 | Y | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 173.8 | -69.1 | -44.6 | 0 | 0 | 0 | 113.2 | G636 L637 E640 A664 A671 K672 Q673 L676 S680 | G636-Y668 PolarHBondContact O-OH 3.19Å; L637-Y668 WeakPolarHBondContact CA-OH 3.5Å; L637-Y668 HydrophobicContact CD2-CE1 4.26Å; L637-Y668 HydrophobicContact CG-CE1 4.13Å; E640-Y668 PolarHBondContact OE2-OH 3.08Å; A664-Y668 HydrophobicContact CB-CD2 4.47Å; A664-Y668 HydrophobicContact CB-CE2 4.17Å; A664-Y668 WeakPolarHBondContact O-CB 3.46Å; A664-Y668 WeakPolarHBondContact O-CD2 3.39Å; A664-Y668 PolarHBondContact O-N 2.91Å; Y668-A671 CarbonylContact O-C 3.57Å; Y668-A671 PolarHBondContact O-N 3.26Å; Y668-K672 PolarHBondContact O-N 2.97Å; Y668-Q673 HydrophobicContact CD1-CB 4.43Å; Y668-Q673 WeakPolarHBondContact O-CB 3.41Å; Y668-Q673 PolarHBondContact O-N 3.5Å; Y668-L676 HydrophobicContact CD1-CB 3.99Å; Y668-L676 HydrophobicContact CD1-CD1 4.03Å; Y668-L676 HydrophobicContact CD2-CB 3.71Å; Y668-L676 HydrophobicContact CE1-CB 4.3Å; Y668-L676 HydrophobicContact CE1-CD1 3.85Å; Y668-L676 HydrophobicContact CE2-CB 4.02Å; Y668-L676 HydrophobicContact CG-CB 3.69Å; Y668-S680 WeakPolarHBondContact CE2-OG 3.36Å |
| 669 | A | 93 | Very high | 93.1 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 20% | 0.198 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A665 H666 R667 K672 A677 Q707 | A665-A669 WeakPolarHBondContact O-CB 3.31Å; A665-A669 PolarHBondContact O-N 2.67Å; H666-A669 WeakPolarHBondContact O-CB 3.32Å; H666-A669 PolarHBondContact O-N 3.03Å; R667-A669 VanDerWaalsContact C-N 3.33Å; R667-A669 PolarHBondContact O-N 3.39Å; A669-K672 PolarHBondContact O-N 3.22Å; A669-A677 HydrophobicContact CB-CB 4.12Å; A669-Q707 HydrophobicContact CB-CG 4.34Å |
| 670 | R | 91.6 | Very high | 93 | Very high | 105 Ų | 105 | 33.2 Ų | 33.2 | 40% | 0.396 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64 | -41.9 | 172.3 | -73.8 | 177.8 | 51.1 | 170.3 | -15.9 | 112 | D629 D632 H666 R667 K672 | D629-R670 PolarHBondContact O-NH2 2.98Å; D629-R670 IonicContact OD1-CZ 3.84Å; D629-R670 VanDerWaalsContact OD1-CZ 3.31Å; D629-R670 IonicContact OD1-NH1 3.93Å; D629-R670 PolarHBondContact OD1-NH1 2.93Å; D629-R670 IonicContact OD1-NH2 2.76Å; D629-R670 PolarHBondContact OD1-NH2 2.93Å; D629-R670 VanDerWaalsContact OD1-NH2 3.16Å; D632-R670 HydrophobicContact CB-CB 4.07Å; D632-R670 VanDerWaalsContact CG-CB 3.47Å; D632-R670 IonicContact OD1-CZ 3.38Å; D632-R670 VanDerWaalsContact OD1-CZ 3.29Å; D632-R670 IonicContact OD1-NE 3.97Å; D632-R670 PolarHBondContact OD1-NE 2.99Å; D632-R670 IonicContact OD1-NH2 3.37Å; D632-R670 PolarHBondContact OD1-NH2 2.98Å; D632-R670 VanDerWaalsContact OD2-CB 3.29Å; D632-R670 WeakPolarHBondContact OD2-CB 3.41Å; D632-R670 IonicContact OD2-CZ 3.28Å; D632-R670 IonicContact OD2-NE 3.5Å; D632-R670 PolarHBondContact OD2-NE 3.16Å; D632-R670 IonicContact OD2-NH2 2.66Å; D632-R670 PolarHBondContact OD2-NH2 2.8Å; H666-R670 PolarHBondContact O-N 3.16Å; R667-R670 VanDerWaalsContact NH1-CZ 3.32Å; R667-R670 PolarHBondContact O-N 3.22Å; R670-K672 PolarHBondContact O-N 3.35Å |
| 671 | A | 90.4 | Very high | 93 | Very high | 17 Ų | 17 | 30.1 Ų | 30.1 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 5.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D632 L633 R667 Y668 Q673 | D632-A671 HydrophobicContact CB-CB 4.01Å; L633-A671 HydrophobicContact CB-CB 4.02Å; L633-A671 HydrophobicContact CD1-CB 4.31Å; R667-A671 WeakPolarHBondContact O-CB 3.3Å; R667-A671 PolarHBondContact O-N 3.08Å; Y668-A671 CarbonylContact O-C 3.57Å; Y668-A671 PolarHBondContact O-N 3.26Å; A671-Q673 VanDerWaalsContact C-N 3.27Å; A671-Q673 HydrophobicContact CB-CG 4.17Å; A671-Q673 PolarHBondContact O-N 2.86Å |
| 672 | K | 90.2 | Very high | 92.8 | Very high | 170 Ų | 170 | 35.3 Ų | 35.3 | 74% | 0.739 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 38.2 | -175.8 | -55.1 | 179.4 | -177.3 | 176.2 | 0 | 113.1 | Y668 A669 R670 P674 | Y668-K672 PolarHBondContact O-N 2.97Å; A669-K672 PolarHBondContact O-N 3.22Å; R670-K672 PolarHBondContact O-N 3.35Å; K672-P674 VanDerWaalsContact C-CD 3.42Å; K672-P674 WeakPolarHBondContact O-CD 3.4Å |
| 673 | Q | 90.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | trans | -109.7 | 72.2 | 176 | -61.8 | -61.4 | -51.9 | 0 | 0 | 110.5 | L633 Y668 A671 I675 L676 A677 | L633-Q673 HydrophobicContact CD1-CG 3.78Å; Y668-Q673 HydrophobicContact CD1-CB 4.43Å; Y668-Q673 WeakPolarHBondContact O-CB 3.41Å; Y668-Q673 PolarHBondContact O-N 3.5Å; A671-Q673 VanDerWaalsContact C-N 3.27Å; A671-Q673 HydrophobicContact CB-CG 4.17Å; A671-Q673 PolarHBondContact O-N 2.86Å; Q673-I675 VanDerWaalsContact C-N 3.31Å; Q673-I675 PolarHBondContact O-N 3.45Å; Q673-L676 HydrophobicContact CB-CB 4.27Å; Q673-L676 HydrophobicContact CB-CD1 4.25Å; Q673-L676 PolarHBondContact O-N 2.88Å; Q673-A677 PolarHBondContact O-N 2.99Å | ||
| 674 | P | 91.1 | Very high | 92.3 | Very high | 23 Ų | 23 | 32.4 Ų | 32.4 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -31.8 | -169.2 | 28.6 | -37.2 | 0 | 0 | 0 | 113 | K672 A677 I678 Q707 I711 | K672-P674 VanDerWaalsContact C-CD 3.42Å; K672-P674 WeakPolarHBondContact O-CD 3.4Å; P674-A677 PolarHBondContact O-N 3.13Å; P674-I678 WeakPolarHBondContact O-CB 3.33Å; P674-I678 VanDerWaalsContact O-CG1 3.23Å; P674-I678 WeakPolarHBondContact O-CG1 3.34Å; P674-I678 PolarHBondContact O-N 3.02Å; P674-Q707 VanDerWaalsContact CA-OE1 3.3Å; P674-Q707 HydrophobicContact CB-CB 4.01Å; P674-I711 HydrophobicContact CB-CD1 3.8Å; P674-I711 HydrophobicContact CB-CG1 3.8Å; P674-I711 HydrophobicContact CG-CD1 4Å; P674-I711 HydrophobicContact CG-CG1 3.62Å |
| 675 | I | 90.1 | Very high | 91.9 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 20% | 0.195 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -50.2 | 179.4 | -52.8 | -177.2 | 0 | 0 | 0 | 110.2 | N94 S97 T98 Q673 A677 I678 R679 I711 | N94-I675 WeakPolarHBondContact OD1-CD1 3.04Å; S97-I675 WeakPolarHBondContact OG-CG2 3.24Å; T98-I675 HydrophobicContact CG2-CD1 3.72Å; T98-I675 HydrophobicContact CG2-CG2 4.35Å; Q673-I675 VanDerWaalsContact C-N 3.31Å; Q673-I675 PolarHBondContact O-N 3.45Å; I675-A677 PolarHBondContact O-N 2.96Å; I675-I678 PolarHBondContact O-N 3.32Å; I675-R679 WeakPolarHBondContact O-CB 3.48Å; I675-R679 PolarHBondContact O-N 2.87Å; I675-I711 HydrophobicContact CG1-CD1 3.81Å; I675-I711 HydrophobicContact CG1-CG1 4.38Å |
| 676 | L | 91.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.7 | -38.5 | 175.7 | -72.7 | 171.8 | 0 | 0 | 0 | 112.7 | V93 S97 W122 Y668 Q673 R679 S680 | V93-L676 HydrophobicContact CG1-CD1 3.42Å; V93-L676 VanDerWaalsContact CG1-CD1 3.42Å; S97-L676 VanDerWaalsContact CB-CD2 3.45Å; W122-L676 HydrophobicContact CD2-CD2 3.76Å; W122-L676 HydrophobicContact CE3-CD2 4.45Å; W122-L676 HydrophobicContact CG-CD2 3.84Å; W122-L676 HydrophobicContact CZ2-CD2 4.3Å; Y668-L676 HydrophobicContact CD1-CB 3.99Å; Y668-L676 HydrophobicContact CD1-CD1 4.03Å; Y668-L676 HydrophobicContact CD2-CB 3.71Å; Y668-L676 HydrophobicContact CE1-CB 4.3Å; Y668-L676 HydrophobicContact CE1-CD1 3.85Å; Y668-L676 HydrophobicContact CE2-CB 4.02Å; Y668-L676 HydrophobicContact CG-CB 3.69Å; Q673-L676 HydrophobicContact CB-CB 4.27Å; Q673-L676 HydrophobicContact CB-CD1 4.25Å; Q673-L676 PolarHBondContact O-N 2.88Å; L676-R679 VanDerWaalsContact CD2-NH2 3.31Å; L676-S680 VanDerWaalsContact O-CB 3.23Å; L676-S680 WeakPolarHBondContact O-CB 3.43Å; L676-S680 PolarHBondContact O-N 2.98Å; L676-S680 PolarHBondContact O-OG 2.9Å |
| 677 | A | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A665 A669 Q673 P674 I675 S680 Y681 Q707 | A665-A677 WeakPolarHBondContact O-CB 3.24Å; A669-A677 HydrophobicContact CB-CB 4.12Å; Q673-A677 PolarHBondContact O-N 2.99Å; P674-A677 PolarHBondContact O-N 3.13Å; I675-A677 PolarHBondContact O-N 2.96Å; A677-S680 PolarHBondContact O-N 3.22Å; A677-Y681 WeakPolarHBondContact O-CB 3.34Å; A677-Y681 WeakPolarHBondContact O-CD2 3.35Å; A677-Y681 PolarHBondContact O-N 2.96Å; A677-Q707 HydrophobicContact CB-CG 4.01Å |
| 678 | I | 92.5 | Very high | 90.3 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 9% | 0.092 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -46.3 | 177.8 | -68.2 | 166.2 | 0 | 0 | 0 | 111.4 | P674 I675 S680 Y681 K682 V704 Q707 A708 I711 | P674-I678 WeakPolarHBondContact O-CB 3.33Å; P674-I678 VanDerWaalsContact O-CG1 3.23Å; P674-I678 WeakPolarHBondContact O-CG1 3.34Å; P674-I678 PolarHBondContact O-N 3.02Å; I675-I678 PolarHBondContact O-N 3.32Å; I678-S680 VanDerWaalsContact C-N 3.35Å; I678-S680 PolarHBondContact O-N 3.07Å; I678-Y681 PolarHBondContact O-N 3.19Å; I678-K682 HydrophobicContact CG2-CD 3.74Å; I678-K682 VanDerWaalsContact CG2-CE 3.49Å; I678-K682 HydrophobicContact CG2-CG 4.2Å; I678-K682 WeakPolarHBondContact O-CB 2.94Å; I678-K682 WeakPolarHBondContact O-CG 3.13Å; I678-K682 PolarHBondContact O-N 3.44Å; I678-V704 HydrophobicContact CG2-CG1 4.31Å; I678-Q707 HydrophobicContact CD1-CB 3.93Å; I678-Q707 HydrophobicContact CG1-CB 3.64Å; I678-A708 HydrophobicContact CD1-CB 4.02Å; I678-I711 HydrophobicContact CD1-CD1 3.5Å |
| 679 | R | 91.5 | Very high | 89.5 | Confident | 50 Ų | 50 | 36.9 Ų | 36.9 | 19% | 0.189 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 178.7 | -175.2 | -172 | 58 | 67.4 | 11.1 | 111.2 | W122 E640 I675 L676 K682 S683 | W122-R679 VanDerWaalsContact CH2-CZ 3.43Å; E640-R679 IonicContact OE1-CZ 3.61Å; E640-R679 IonicContact OE1-NH1 2.68Å; E640-R679 PolarHBondContact OE1-NH1 3.41Å; E640-R679 IonicContact OE1-NH2 3.39Å; E640-R679 PolarHBondContact OE1-NH2 2.84Å; E640-R679 IonicContact OE2-CZ 3.41Å; E640-R679 IonicContact OE2-NH2 2.85Å; E640-R679 PolarHBondContact OE2-NH2 2.83Å; I675-R679 WeakPolarHBondContact O-CB 3.48Å; I675-R679 PolarHBondContact O-N 2.87Å; L676-R679 VanDerWaalsContact CD2-NH2 3.31Å; R679-K682 PolarHBondContact O-N 3.02Å; R679-S683 PolarHBondContact O-N 3.29Å |
| 680 | S | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | -179.9 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | Y668 L676 A677 I678 S683 T684 | Y668-S680 WeakPolarHBondContact CE2-OG 3.36Å; L676-S680 VanDerWaalsContact O-CB 3.23Å; L676-S680 WeakPolarHBondContact O-CB 3.43Å; L676-S680 PolarHBondContact O-N 2.98Å; L676-S680 PolarHBondContact O-OG 2.9Å; A677-S680 PolarHBondContact O-N 3.22Å; I678-S680 VanDerWaalsContact C-N 3.35Å; I678-S680 PolarHBondContact O-N 3.07Å; S680-S683 PolarHBondContact O-N 3.33Å; S680-S683 PolarHBondContact O-OG 3.18Å; S680-T684 PolarHBondContact O-N 2.86Å; S680-T684 PolarHBondContact O-OG1 3.12Å |
| 681 | Y | 94.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 172.6 | -81 | -46.9 | 0 | 0 | 0 | 112.9 | A665 A677 I678 S683 T684 M685 H699 I700 V704 | A665-Y681 HydrophobicContact CB-CD1 3.51Å; A665-Y681 HydrophobicContact CB-CD2 3.56Å; A665-Y681 HydrophobicContact CB-CE1 3.54Å; A665-Y681 HydrophobicContact CB-CE2 3.56Å; A665-Y681 HydrophobicContact CB-CG 3.53Å; A677-Y681 WeakPolarHBondContact O-CB 3.34Å; A677-Y681 WeakPolarHBondContact O-CD2 3.35Å; A677-Y681 PolarHBondContact O-N 2.96Å; I678-Y681 PolarHBondContact O-N 3.19Å; Y681-S683 VanDerWaalsContact C-N 3.33Å; Y681-S683 PolarHBondContact O-N 2.98Å; Y681-T684 VanDerWaalsContact O-CB 3.29Å; Y681-T684 WeakPolarHBondContact O-CB 3.49Å; Y681-T684 PolarHBondContact O-N 3.49Å; Y681-T684 VanDerWaalsContact O-N 3.08Å; Y681-M685 PolarHBondContact O-N 3.42Å; Y681-H699 AromaticContact CE1-NE2 3.44Å; Y681-H699 WeakPolarHBondContact CE1-NE2 3.25Å; Y681-H699 AromaticContact CZ-NE2 3.21Å; Y681-H699 PolarHBondContact OH-NE2 3.25Å; Y681-I700 HydrophobicContact CD1-CB 4.22Å; Y681-I700 HydrophobicContact CD1-CG1 3.82Å; Y681-I700 HydrophobicContact CD1-CG2 3.96Å; Y681-I700 HydrophobicContact CE1-CG1 4.16Å; Y681-I700 HydrophobicContact CG-CG2 4.19Å; Y681-V704 HydrophobicContact CD2-CG2 4.05Å; Y681-V704 HydrophobicContact CG-CG2 4.01Å |
| 682 | K | 90.5 | Very high | 86.5 | Confident | 110 Ų | 110 | 39.9 Ų | 39.9 | 48% | 0.478 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -38.1 | 175.7 | -77.2 | 178.8 | 178.1 | 175.1 | 0 | 112.1 | I678 R679 T684 M685 P686 | I678-K682 HydrophobicContact CG2-CD 3.74Å; I678-K682 VanDerWaalsContact CG2-CE 3.49Å; I678-K682 HydrophobicContact CG2-CG 4.2Å; I678-K682 WeakPolarHBondContact O-CB 2.94Å; I678-K682 WeakPolarHBondContact O-CG 3.13Å; I678-K682 PolarHBondContact O-N 3.44Å; R679-K682 PolarHBondContact O-N 3.02Å; K682-T684 PolarHBondContact O-N 3.2Å; K682-M685 PolarHBondContact O-N 3.15Å; K682-P686 WeakPolarHBondContact O-CD 3.48Å |
| 683 | S | 88.3 | Confident | 86.2 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -24.6 | 175 | 79.7 | 0 | 0 | 0 | 0 | 113.8 | M661 R679 S680 Y681 | M661-S683 WeakPolarHBondContact CE-OG 3.23Å; R679-S683 PolarHBondContact O-N 3.29Å; S680-S683 PolarHBondContact O-N 3.33Å; S680-S683 PolarHBondContact O-OG 3.18Å; Y681-S683 VanDerWaalsContact C-N 3.33Å; Y681-S683 PolarHBondContact O-N 2.98Å |
| 684 | T | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -79.3 | -36.3 | 179.5 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | A658 M661 A662 S680 Y681 K682 I687 V688 I700 | A658-T684 HydrophobicContact CB-CG2 4.04Å; A658-T684 WeakPolarHBondContact O-CG2 3.14Å; M661-T684 VanDerWaalsContact CB-OG1 3.3Å; M661-T684 WeakPolarHBondContact CB-OG1 3.43Å; A662-T684 HydrophobicContact CB-CG2 4.3Å; S680-T684 PolarHBondContact O-N 2.86Å; S680-T684 PolarHBondContact O-OG1 3.12Å; Y681-T684 VanDerWaalsContact O-CB 3.29Å; Y681-T684 WeakPolarHBondContact O-CB 3.49Å; Y681-T684 PolarHBondContact O-N 3.49Å; Y681-T684 VanDerWaalsContact O-N 3.08Å; K682-T684 PolarHBondContact O-N 3.2Å; T684-I687 PolarHBondContact O-N 2.95Å; T684-I687 VanDerWaalsContact O-N 3.12Å; T684-V688 HydrophobicContact CG2-CG2 3.76Å; T684-V688 PolarHBondContact O-N 2.97Å; T684-I700 HydrophobicContact CG2-CD1 3.64Å |
| 685 | M | 86.7 | Confident | 85.7 | Confident | 28 Ų | 28 | 37.8 Ų | 37.8 | 14% | 0.138 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.8 | -44.9 | -169.1 | -167.2 | 64 | 84.8 | 0 | 0 | 115.1 | Y681 K682 I687 V688 M689 I700 N701 | Y681-M685 PolarHBondContact O-N 3.42Å; K682-M685 PolarHBondContact O-N 3.15Å; M685-I687 PolarHBondContact O-N 3.31Å; M685-V688 PolarHBondContact O-N 3.03Å; M685-V688 VanDerWaalsContact O-N 3.16Å; M685-M689 HydrophobicContact CG-CE 3.97Å; M685-M689 HydrophobicContact CG-CG 3.76Å; M685-M689 HydrophobicContact CG-SD 3.75Å; M685-M689 WeakPolarHBondContact O-CG 3.43Å; M685-M689 PolarHBondContact O-N 3.4Å; M685-M689 HydrophobicContact SD-CG 3.7Å; M685-M689 HydrophobicContact SD-SD 4.27Å; M685-I700 HydrophobicContact CE-CB 4.21Å; M685-I700 HydrophobicContact CE-CG2 3.48Å; M685-I700 VanDerWaalsContact CE-CG2 3.48Å; M685-I700 HydrophobicContact SD-CG2 4.47Å; M685-N701 WeakPolarHBondContact CE-OD1 3.44Å |
| 686 | P | 85.1 | Confident | 85.5 | Confident | 63 Ų | 63 | 37.4 Ų | 37.4 | 41% | 0.409 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.8 | -16.9 | -179 | -23.3 | 35.1 | 0 | 0 | 0 | 115.3 | K682 | K682-P686 WeakPolarHBondContact O-CD 3.48Å |
| 687 | I | 84.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -95.5 | -26.5 | -178.8 | -58.1 | 166.7 | 0 | 0 | 0 | 111.1 | R112 V114 L654 F657 A658 T684 M685 H691 | R112-I687 PolarHBondContact NH1-O 2.76Å; V114-I687 HydrophobicContact CB-CD1 3.99Å; V114-I687 HydrophobicContact CB-CG1 4.12Å; V114-I687 HydrophobicContact CG1-CD1 4.02Å; V114-I687 HydrophobicContact CG2-CD1 4.11Å; V114-I687 HydrophobicContact CG2-CG1 4.42Å; L654-I687 HydrophobicContact CB-CD1 4.3Å; L654-I687 HydrophobicContact CB-CG2 4.32Å; F657-I687 HydrophobicContact CD1-CD1 3.53Å; F657-I687 HydrophobicContact CE1-CD1 3.81Å; A658-I687 HydrophobicContact CB-CB 3.99Å; A658-I687 HydrophobicContact CB-CD1 4.03Å; A658-I687 HydrophobicContact CB-CG2 3.79Å; T684-I687 PolarHBondContact O-N 2.95Å; T684-I687 VanDerWaalsContact O-N 3.12Å; M685-I687 PolarHBondContact O-N 3.31Å; I687-H691 PolarHBondContact O-ND1 3.19Å |
| 688 | V | 82.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -86.9 | -46.5 | -178.4 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | T684 M685 G690 H691 W693 L696 E697 I700 | T684-V688 HydrophobicContact CG2-CG2 3.76Å; T684-V688 PolarHBondContact O-N 2.97Å; M685-V688 PolarHBondContact O-N 3.03Å; M685-V688 VanDerWaalsContact O-N 3.16Å; V688-G690 PolarHBondContact O-N 3.27Å; V688-H691 WeakPolarHBondContact O-CB 3.31Å; V688-H691 PolarHBondContact O-N 2.89Å; V688-H691 PolarHBondContact O-ND1 2.79Å; V688-W693 HydrophobicContact CB-CE3 4.4Å; V688-W693 HydrophobicContact CG1-CB 4.09Å; V688-W693 HydrophobicContact CG1-CE3 4.16Å; V688-W693 HydrophobicContact CG2-CE3 4.2Å; V688-W693 HydrophobicContact CG2-CZ3 4.45Å; V688-L696 HydrophobicContact CG1-CB 4.33Å; V688-L696 HydrophobicContact CG1-CD2 4.06Å; V688-L696 HydrophobicContact CG1-CG 4.13Å; V688-L696 HydrophobicContact CG2-CD2 3.76Å; V688-L696 HydrophobicContact CG2-CG 4.35Å; V688-E697 HydrophobicContact CG1-CG 3.58Å; V688-I700 HydrophobicContact CG2-CD1 4.16Å |
| 689 | M | 77.2 | Confident | 85.3 | Confident | 96 Ų | 96 | 41 Ų | 41 | 47% | 0.473 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 135.9 | -174.5 | -76.1 | -171.2 | -60.4 | 0 | 0 | 112.8 | M685 H691 E697 | M685-M689 HydrophobicContact CG-CE 3.97Å; M685-M689 HydrophobicContact CG-CG 3.76Å; M685-M689 HydrophobicContact CG-SD 3.75Å; M685-M689 WeakPolarHBondContact O-CG 3.43Å; M685-M689 PolarHBondContact O-N 3.4Å; M685-M689 HydrophobicContact SD-CG 3.7Å; M685-M689 HydrophobicContact SD-SD 4.27Å; M689-H691 PolarHBondContact O-CE1 2.92Å; M689-H691 PolarHBondContact O-N 3.48Å; M689-H691 PolarHBondContact O-ND1 2.95Å; M689-E697 WeakPolarHBondContact CA-OE1 3.39Å |
| 690 | G | 67.7 | Low | 85.3 | Confident | 77 Ų | 77 | 38.6 Ų | 38.6 | 79% | 0.794 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -4.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V688 G692 E697 | V688-G690 PolarHBondContact O-N 3.27Å; G690-G692 VanDerWaalsContact C-N 3.35Å; G690-E697 PolarHBondContact N-OE1 3.43Å |
| 691 | H | 73 | Confident | 85.4 | Confident | 75 Ų | 75 | 39.2 Ų | 39.2 | 35% | 0.347 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 10.6 | -178.6 | -64.8 | 85.7 | 0 | 0 | 0 | 113.9 | R112 I687 V688 M689 W693 | R112-H691 PolarHBondContact NH1-CD2 2.74Å; R112-H691 VanDerWaalsContact NH1-CD2 3.33Å; R112-H691 PolarHBondContact NH1-CE1 2.76Å; R112-H691 VanDerWaalsContact NH1-CE1 3.26Å; R112-H691 PolarHBondContact NH1-ND1 3.13Å; R112-H691 PolarHBondContact NH1-NE2 2.97Å; R112-H691 VanDerWaalsContact NH1-NE2 3.15Å; R112-H691 PolarHBondContact NH2-CD2 3.09Å; R112-H691 VanDerWaalsContact NH2-CD2 3.31Å; R112-H691 PolarHBondContact NH2-NE2 3.48Å; I687-H691 PolarHBondContact O-ND1 3.19Å; V688-H691 WeakPolarHBondContact O-CB 3.31Å; V688-H691 PolarHBondContact O-N 2.89Å; V688-H691 PolarHBondContact O-ND1 2.79Å; M689-H691 PolarHBondContact O-CE1 2.92Å; M689-H691 PolarHBondContact O-N 3.48Å; M689-H691 PolarHBondContact O-ND1 2.95Å; H691-W693 HydrophobicContact CB-CD2 4.25Å; H691-W693 HydrophobicContact CB-CG 4.39Å; H691-W693 VanDerWaalsContact O-CD1 3.22Å; H691-W693 PolarHBondContact O-N 3.47Å; H691-W693 PolarHBondContact O-NE1 2.3Å |
| 692 | G | 72.7 | Confident | 85.4 | Confident | 56 Ų | 56 | 39.7 Ų | 39.7 | 58% | 0.577 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 9.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G690 S694 | G690-G692 VanDerWaalsContact C-N 3.35Å; G692-S694 PolarHBondContact O-N 3.37Å |
| 693 | W | 82.9 | Confident | 85.5 | Confident | 63 Ų | 63 | 35.2 Ų | 35.2 | 24% | 0.239 | 21% | 0.212 | C | C | . | . | trans | -81.4 | 44.9 | 179.5 | -59 | -8 | 0 | 0 | 0 | 111.5 | R655 F659 V688 H691 L695 L696 E697 | R655-W693 HydrophobicContact CB-CH2 4.47Å; R655-W693 HydrophobicContact CG-CH2 3.73Å; R655-W693 HydrophobicContact CG-CZ3 4.4Å; F659-W693 HydrophobicContact CE2-CE3 4.2Å; F659-W693 HydrophobicContact CE2-CH2 4.29Å; F659-W693 AromaticContact CE2-CZ3 3.84Å; F659-W693 HydrophobicContact CE2-CZ3 3.84Å; F659-W693 HydrophobicContact CZ-CE3 4.49Å; V688-W693 HydrophobicContact CB-CE3 4.4Å; V688-W693 HydrophobicContact CG1-CB 4.09Å; V688-W693 HydrophobicContact CG1-CE3 4.16Å; V688-W693 HydrophobicContact CG2-CE3 4.2Å; V688-W693 HydrophobicContact CG2-CZ3 4.45Å; H691-W693 HydrophobicContact CB-CD2 4.25Å; H691-W693 HydrophobicContact CB-CG 4.39Å; H691-W693 VanDerWaalsContact O-CD1 3.22Å; H691-W693 PolarHBondContact O-N 3.47Å; H691-W693 PolarHBondContact O-NE1 2.3Å; W693-L695 VanDerWaalsContact C-N 3.26Å; W693-L695 PolarHBondContact O-N 3.41Å; W693-L695 VanDerWaalsContact O-N 3.12Å; W693-L696 HydrophobicContact CB-CB 4.39Å; W693-L696 HydrophobicContact CE3-CD2 4.26Å; W693-L696 WeakPolarHBondContact O-CA 3.22Å; W693-L696 WeakPolarHBondContact O-CB 3.41Å; W693-L696 PolarHBondContact O-N 3.02Å; W693-E697 PolarHBondContact O-N 3.01Å; W693-E697 VanDerWaalsContact O-N 3.08Å | ||
| 694 | S | 85.3 | Confident | 85.8 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -27.6 | -166.3 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | G692 L696 E697 D698 S728 | G692-S694 PolarHBondContact O-N 3.37Å; S694-L696 VanDerWaalsContact C-N 3.25Å; S694-L696 PolarHBondContact O-N 3.21Å; S694-E697 PolarHBondContact O-N 3.49Å; S694-D698 VanDerWaalsContact O-CB 3.26Å; S694-D698 WeakPolarHBondContact O-CB 3.46Å; S694-D698 PolarHBondContact O-N 3.02Å; S694-S728 WeakPolarHBondContact CB-O 3.48Å; S694-S728 PolarHBondContact OG-O 2.85Å |
| 695 | L | 87 | Confident | 86 | Confident | 94 Ų | 94 | 34.7 Ų | 34.7 | 49% | 0.492 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.2 | -33.4 | 171.4 | -62.2 | 178.5 | 0 | 0 | 0 | 113 | W693 H699 R730 Q731 | W693-L695 VanDerWaalsContact C-N 3.26Å; W693-L695 PolarHBondContact O-N 3.41Å; W693-L695 VanDerWaalsContact O-N 3.12Å; L695-H699 WeakPolarHBondContact O-CB 3.43Å; L695-H699 PolarHBondContact O-N 2.67Å; L695-H699 VanDerWaalsContact O-N 3.16Å; L695-R730 HydrophobicContact CD2-CB 3.85Å; L695-R730 HydrophobicContact CG-CB 4.33Å; L695-Q731 HydrophobicContact CD2-CG 4.08Å; L695-Q731 PolarHBondContact O-NE2 3.3Å |
| 696 | L | 86 | Confident | 86.4 | Confident | 29 Ų | 29 | 36.7 Ų | 36.7 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -81.1 | -39 | 174.9 | -178.6 | 60.9 | 0 | 0 | 0 | 111.3 | F659 V688 W693 S694 D698 H699 I700 | F659-L696 HydrophobicContact CE1-CD2 4.12Å; F659-L696 HydrophobicContact CE2-CD2 4.44Å; F659-L696 HydrophobicContact CZ-CD2 3.94Å; V688-L696 HydrophobicContact CG1-CB 4.33Å; V688-L696 HydrophobicContact CG1-CD2 4.06Å; V688-L696 HydrophobicContact CG1-CG 4.13Å; V688-L696 HydrophobicContact CG2-CD2 3.76Å; V688-L696 HydrophobicContact CG2-CG 4.35Å; W693-L696 HydrophobicContact CB-CB 4.39Å; W693-L696 HydrophobicContact CE3-CD2 4.26Å; W693-L696 WeakPolarHBondContact O-CA 3.22Å; W693-L696 WeakPolarHBondContact O-CB 3.41Å; W693-L696 PolarHBondContact O-N 3.02Å; S694-L696 VanDerWaalsContact C-N 3.25Å; S694-L696 PolarHBondContact O-N 3.21Å; L696-D698 VanDerWaalsContact C-N 3.35Å; L696-H699 PolarHBondContact O-N 3.2Å; L696-I700 HydrophobicContact CD1-CD1 3.9Å; L696-I700 HydrophobicContact CD1-CG1 4Å; L696-I700 HydrophobicContact CD2-CD1 4.48Å; L696-I700 HydrophobicContact CG-CD1 3.78Å; L696-I700 HydrophobicContact CG-CG1 4.3Å; L696-I700 WeakPolarHBondContact O-CB 3.47Å; L696-I700 WeakPolarHBondContact O-CG1 3.49Å; L696-I700 PolarHBondContact O-N 3.25Å |
| 697 | E | 90.2 | Very high | 86.8 | Confident | 21 Ų | 21 | 34.8 Ų | 34.8 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.6 | -49.6 | 171.8 | -62.6 | 178.4 | -179.4 | 0 | 0 | 110.7 | V688 M689 G690 W693 S694 H699 I700 N701 | V688-E697 HydrophobicContact CG1-CG 3.58Å; M689-E697 WeakPolarHBondContact CA-OE1 3.39Å; G690-E697 PolarHBondContact N-OE1 3.43Å; W693-E697 PolarHBondContact O-N 3.01Å; W693-E697 VanDerWaalsContact O-N 3.08Å; S694-E697 PolarHBondContact O-N 3.49Å; E697-H699 PolarHBondContact O-N 3.4Å; E697-I700 PolarHBondContact O-N 3.27Å; E697-N701 VanDerWaalsContact O-CB 3.28Å; E697-N701 WeakPolarHBondContact O-CB 3.38Å; E697-N701 PolarHBondContact O-N 3.07Å; E697-N701 PolarHBondContact O-ND2 3.07Å |
| 698 | D | 90.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.9 | -69.8 | -18.2 | 0 | 0 | 0 | 111.8 | S694 L696 F702 S729 Q731 F739 | S694-D698 VanDerWaalsContact O-CB 3.26Å; S694-D698 WeakPolarHBondContact O-CB 3.46Å; S694-D698 PolarHBondContact O-N 3.02Å; L696-D698 VanDerWaalsContact C-N 3.35Å; D698-F702 WeakPolarHBondContact O-CB 3.41Å; D698-F702 PolarHBondContact O-N 3Å; D698-S729 WeakPolarHBondContact OD2-CA 3.42Å; D698-S729 VanDerWaalsContact OD2-CB 3.28Å; D698-S729 WeakPolarHBondContact OD2-CB 3.44Å; D698-S729 PolarHBondContact OD2-OG 3.3Å; D698-Q731 HydrophobicContact CB-CG 4.04Å; D698-Q731 WeakPolarHBondContact OD2-CG 3.3Å; D698-F739 HydrophobicContact CB-CE2 3.98Å; D698-F739 HydrophobicContact CB-CZ 4.03Å |
| 699 | H | 92 | Very high | 87.8 | Confident | 71 Ų | 71 | 38.4 Ų | 38.4 | 33% | 0.329 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 177.3 | 174.3 | 80.9 | 0 | 0 | 0 | 112.4 | H666 Y681 L695 L696 E697 S703 | H666-H699 AromaticContact ND1-CE1 3.93Å; Y681-H699 AromaticContact CE1-NE2 3.44Å; Y681-H699 WeakPolarHBondContact CE1-NE2 3.25Å; Y681-H699 AromaticContact CZ-NE2 3.21Å; Y681-H699 PolarHBondContact OH-NE2 3.25Å; L695-H699 WeakPolarHBondContact O-CB 3.43Å; L695-H699 PolarHBondContact O-N 2.67Å; L695-H699 VanDerWaalsContact O-N 3.16Å; L696-H699 PolarHBondContact O-N 3.2Å; E697-H699 PolarHBondContact O-N 3.4Å; H699-S703 WeakPolarHBondContact O-CB 3.48Å; H699-S703 PolarHBondContact O-N 3.08Å; H699-S703 PolarHBondContact O-OG 3.49Å |
| 700 | I | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -50.4 | 178.9 | -69.2 | 173.1 | 0 | 0 | 0 | 109.8 | Y681 T684 M685 V688 L696 E697 S703 V704 | Y681-I700 HydrophobicContact CD1-CB 4.22Å; Y681-I700 HydrophobicContact CD1-CG1 3.82Å; Y681-I700 HydrophobicContact CD1-CG2 3.96Å; Y681-I700 HydrophobicContact CE1-CG1 4.16Å; Y681-I700 HydrophobicContact CG-CG2 4.19Å; T684-I700 HydrophobicContact CG2-CD1 3.64Å; M685-I700 HydrophobicContact CE-CB 4.21Å; M685-I700 HydrophobicContact CE-CG2 3.48Å; M685-I700 VanDerWaalsContact CE-CG2 3.48Å; M685-I700 HydrophobicContact SD-CG2 4.47Å; V688-I700 HydrophobicContact CG2-CD1 4.16Å; L696-I700 HydrophobicContact CD1-CD1 3.9Å; L696-I700 HydrophobicContact CD1-CG1 4Å; L696-I700 HydrophobicContact CD2-CD1 4.48Å; L696-I700 HydrophobicContact CG-CD1 3.78Å; L696-I700 HydrophobicContact CG-CG1 4.3Å; L696-I700 WeakPolarHBondContact O-CB 3.47Å; L696-I700 WeakPolarHBondContact O-CG1 3.49Å; L696-I700 PolarHBondContact O-N 3.25Å; E697-I700 PolarHBondContact O-N 3.27Å; I700-S703 PolarHBondContact O-N 3.47Å; I700-V704 HydrophobicContact CG2-CG2 4.43Å; I700-V704 WeakPolarHBondContact O-CB 3.22Å; I700-V704 VanDerWaalsContact O-CG2 3.32Å; I700-V704 WeakPolarHBondContact O-CG2 3.32Å; I700-V704 PolarHBondContact O-N 3.39Å |
| 701 | N | 93.2 | Very high | 89.4 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.064 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | -179.7 | -82.4 | -33.7 | 0 | 0 | 0 | 112.3 | M685 E697 S703 V704 G705 A720 E723 T724 | M685-N701 WeakPolarHBondContact CE-OD1 3.44Å; E697-N701 VanDerWaalsContact O-CB 3.28Å; E697-N701 WeakPolarHBondContact O-CB 3.38Å; E697-N701 PolarHBondContact O-N 3.07Å; E697-N701 PolarHBondContact O-ND2 3.07Å; N701-S703 VanDerWaalsContact C-N 3.34Å; N701-S703 PolarHBondContact O-N 2.96Å; N701-V704 PolarHBondContact O-N 3.14Å; N701-G705 PolarHBondContact O-N 3.41Å; N701-A720 WeakPolarHBondContact CB-O 3.47Å; N701-E723 HydrophobicContact CB-CB 4.34Å; N701-T724 HydrophobicContact CB-CG2 3.58Å |
| 702 | F | 94.7 | Very high | 90 | Very high | 12 Ų | 12 | 38 Ų | 38 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 175.2 | -176.2 | -108.1 | 0 | 0 | 0 | 112.4 | D698 G705 K706 L721 T724 I738 F739 E742 | D698-F702 WeakPolarHBondContact O-CB 3.41Å; D698-F702 PolarHBondContact O-N 3Å; F702-G705 PolarHBondContact O-N 3.14Å; F702-K706 HydrophobicContact CE1-CD 4.09Å; F702-K706 HydrophobicContact CZ-CD 4.15Å; F702-K706 PolarHBondContact O-N 3.34Å; F702-L721 HydrophobicContact CD2-CD2 3.97Å; F702-L721 HydrophobicContact CE2-CD2 4.49Å; F702-T724 HydrophobicContact CB-CG2 4.05Å; F702-I738 HydrophobicContact CE2-CG2 3.95Å; F702-I738 HydrophobicContact CZ-CG2 3.62Å; F702-F739 HydrophobicContact CB-CD1 4.39Å; F702-F739 HydrophobicContact CB-CE1 3.88Å; F702-F739 HydrophobicContact CB-CZ 4.4Å; F702-F739 HydrophobicContact CD1-CE1 4.25Å; F702-F739 AromaticContact CD2-CD1 3.27Å; F702-F739 HydrophobicContact CD2-CD1 3.27Å; F702-F739 AromaticContact CD2-CE1 3.5Å; F702-F739 HydrophobicContact CD2-CE1 3.5Å; F702-F739 VanDerWaalsContact CD2-CE1 3.5Å; F702-F739 HydrophobicContact CD2-CG 4.28Å; F702-F739 AromaticContact CE2-CD1 3.55Å; F702-F739 HydrophobicContact CE2-CD1 3.55Å; F702-F739 AromaticContact CE2-CE1 4Å; F702-F739 HydrophobicContact CE2-CE1 4Å; F702-F739 AromaticContact CG-CD1 3.92Å; F702-F739 HydrophobicContact CG-CD1 3.92Å; F702-F739 AromaticContact CG-CE1 3.62Å; F702-F739 HydrophobicContact CG-CE1 3.62Å; F702-F739 HydrophobicContact CZ-CD1 4.38Å; F702-E742 HydrophobicContact CE2-CB 4.24Å; F702-E742 HydrophobicContact CE2-CG 3.92Å; F702-E742 HydrophobicContact CZ-CG 4.22Å |
| 703 | S | 93.8 | Very high | 90.8 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 11% | 0.105 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.8 | -44.7 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | H699 I700 N701 G705 K706 Q707 | H699-S703 WeakPolarHBondContact O-CB 3.48Å; H699-S703 PolarHBondContact O-N 3.08Å; H699-S703 PolarHBondContact O-OG 3.49Å; I700-S703 PolarHBondContact O-N 3.47Å; N701-S703 VanDerWaalsContact C-N 3.34Å; N701-S703 PolarHBondContact O-N 2.96Å; S703-G705 VanDerWaalsContact C-N 3.29Å; S703-G705 PolarHBondContact O-N 3.3Å; S703-K706 PolarHBondContact O-N 2.94Å; S703-Q707 VanDerWaalsContact O-CG 3.3Å; S703-Q707 WeakPolarHBondContact O-CG 3.33Å; S703-Q707 PolarHBondContact O-N 2.98Å |
| 704 | V | 94.2 | Very high | 91.2 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | I678 Y681 I700 N701 Q707 A708 T716 A720 | I678-V704 HydrophobicContact CG2-CG1 4.31Å; Y681-V704 HydrophobicContact CD2-CG2 4.05Å; Y681-V704 HydrophobicContact CG-CG2 4.01Å; I700-V704 HydrophobicContact CG2-CG2 4.43Å; I700-V704 WeakPolarHBondContact O-CB 3.22Å; I700-V704 VanDerWaalsContact O-CG2 3.32Å; I700-V704 WeakPolarHBondContact O-CG2 3.32Å; I700-V704 PolarHBondContact O-N 3.39Å; N701-V704 PolarHBondContact O-N 3.14Å; V704-Q707 PolarHBondContact O-N 2.79Å; V704-A708 WeakPolarHBondContact O-CB 3.37Å; V704-A708 PolarHBondContact O-N 2.89Å; V704-T716 HydrophobicContact CG1-CG2 4.07Å; V704-A720 HydrophobicContact CB-CB 4.11Å; V704-A720 HydrophobicContact CG1-CB 3.77Å |
| 705 | G | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52.9 | -58.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N701 F702 S703 Q707 A708 Y709 S717 | N701-G705 PolarHBondContact O-N 3.41Å; F702-G705 PolarHBondContact O-N 3.14Å; S703-G705 VanDerWaalsContact C-N 3.29Å; S703-G705 PolarHBondContact O-N 3.3Å; G705-Q707 PolarHBondContact O-N 2.87Å; G705-A708 PolarHBondContact O-N 3.17Å; G705-Y709 PolarHBondContact O-N 3Å; G705-S717 PolarHBondContact O-OG 3.07Å |
| 706 | K | 94.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 35.5 Ų | 35.5 | 31% | 0.309 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 179.2 | -73.3 | -158.1 | 172 | -126.9 | 0 | 113.7 | F702 S703 A708 Y709 L710 E742 | F702-K706 HydrophobicContact CE1-CD 4.09Å; F702-K706 HydrophobicContact CZ-CD 4.15Å; F702-K706 PolarHBondContact O-N 3.34Å; S703-K706 PolarHBondContact O-N 2.94Å; K706-A708 VanDerWaalsContact C-N 3.35Å; K706-Y709 PolarHBondContact O-N 2.85Å; K706-L710 WeakPolarHBondContact O-CG 3.4Å; K706-L710 PolarHBondContact O-N 2.96Å; K706-E742 WeakPolarHBondContact CE-OE1 3.23Å; K706-E742 WeakPolarHBondContact CE-OE2 3.43Å; K706-E742 IonicContact NZ-OE1 2.69Å; K706-E742 PolarHBondContact NZ-OE1 3.14Å; K706-E742 IonicContact NZ-OE2 3.46Å; K706-E742 PolarHBondContact NZ-OE2 3.39Å |
| 707 | Q | 94.2 | Very high | 91.7 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.7 | -34.4 | 179.5 | -62.3 | -57.2 | -63.6 | 0 | 0 | 111.9 | A669 P674 A677 I678 S703 V704 G705 L710 I711 | A669-Q707 HydrophobicContact CB-CG 4.34Å; P674-Q707 VanDerWaalsContact CA-OE1 3.3Å; P674-Q707 HydrophobicContact CB-CB 4.01Å; A677-Q707 HydrophobicContact CB-CG 4.01Å; I678-Q707 HydrophobicContact CD1-CB 3.93Å; I678-Q707 HydrophobicContact CG1-CB 3.64Å; S703-Q707 VanDerWaalsContact O-CG 3.3Å; S703-Q707 WeakPolarHBondContact O-CG 3.33Å; S703-Q707 PolarHBondContact O-N 2.98Å; V704-Q707 PolarHBondContact O-N 2.79Å; G705-Q707 PolarHBondContact O-N 2.87Å; Q707-L710 PolarHBondContact O-N 2.61Å; Q707-I711 PolarHBondContact O-N 3.15Å |
| 708 | A | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.3 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | I678 V704 G705 K706 L710 I711 G712 D713 T716 | I678-A708 HydrophobicContact CD1-CB 4.02Å; V704-A708 WeakPolarHBondContact O-CB 3.37Å; V704-A708 PolarHBondContact O-N 2.89Å; G705-A708 PolarHBondContact O-N 3.17Å; K706-A708 VanDerWaalsContact C-N 3.35Å; A708-L710 VanDerWaalsContact C-N 3.29Å; A708-L710 PolarHBondContact O-N 3.06Å; A708-I711 PolarHBondContact O-N 3.2Å; A708-G712 PolarHBondContact O-N 3.01Å; A708-D713 HydrophobicContact CB-CB 4.49Å; A708-D713 PolarHBondContact O-N 3.22Å; A708-T716 HydrophobicContact CB-CG2 3.93Å |
| 709 | Y | 93.3 | Very high | 91.5 | Very high | 77 Ų | 77 | 40.2 Ų | 40.2 | 30% | 0.302 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.4 | -40.6 | 171.9 | -179.1 | -93.6 | 0 | 0 | 0 | 112.3 | G705 K706 I711 G712 L714 T746 K749 | G705-Y709 PolarHBondContact O-N 3Å; K706-Y709 PolarHBondContact O-N 2.85Å; Y709-I711 VanDerWaalsContact C-N 3.34Å; Y709-I711 PolarHBondContact O-N 3.47Å; Y709-G712 PolarHBondContact O-N 3.3Å; Y709-G712 VanDerWaalsContact O-N 3.16Å; Y709-L714 HydrophobicContact CD2-CD2 3.73Å; Y709-L714 HydrophobicContact CE2-CD2 4.05Å; Y709-T746 HydrophobicContact CD2-CG2 4.21Å; Y709-K749 HydrophobicContact CE2-CD 3.52Å; Y709-K749 WeakPolarHBondContact OH-CD 3.44Å; Y709-K749 PolarHBondContact OH-NZ 3.24Å; Y709-K749 VanDerWaalsContact OH-NZ 3.08Å |
| 710 | L | 89.7 | Confident | 91.5 | Very high | 120 Ų | 120 | 37.1 Ų | 37.1 | 63% | 0.628 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -67.6 | -28.7 | 178.6 | -69.6 | 171.9 | 0 | 0 | 0 | 113.8 | K706 Q707 A708 G712 | K706-L710 WeakPolarHBondContact O-CG 3.4Å; K706-L710 PolarHBondContact O-N 2.96Å; Q707-L710 PolarHBondContact O-N 2.61Å; A708-L710 VanDerWaalsContact C-N 3.29Å; A708-L710 PolarHBondContact O-N 3.06Å; L710-G712 VanDerWaalsContact C-N 3.34Å |
| 711 | I | 88.8 | Confident | 91.4 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 35% | 0.354 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -81.7 | -16.6 | 174.1 | -62.9 | 161 | 0 | 0 | 0 | 111.4 | P674 I675 I678 Q707 A708 Y709 | P674-I711 HydrophobicContact CB-CD1 3.8Å; P674-I711 HydrophobicContact CB-CG1 3.8Å; P674-I711 HydrophobicContact CG-CD1 4Å; P674-I711 HydrophobicContact CG-CG1 3.62Å; I675-I711 HydrophobicContact CG1-CD1 3.81Å; I675-I711 HydrophobicContact CG1-CG1 4.38Å; I678-I711 HydrophobicContact CD1-CD1 3.5Å; Q707-I711 PolarHBondContact O-N 3.15Å; A708-I711 PolarHBondContact O-N 3.2Å; Y709-I711 VanDerWaalsContact C-N 3.34Å; Y709-I711 PolarHBondContact O-N 3.47Å |
| 712 | G | 87.5 | Confident | 91.1 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 52% | 0.515 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 4.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A708 Y709 L710 L714 | A708-G712 PolarHBondContact O-N 3.01Å; Y709-G712 PolarHBondContact O-N 3.3Å; Y709-G712 VanDerWaalsContact O-N 3.16Å; L710-G712 VanDerWaalsContact C-N 3.34Å; G712-L714 PolarHBondContact O-N 2.96Å |
| 713 | D | 89 | Confident | 90.8 | Very high | 63 Ų | 63 | 41 Ų | 41 | 34% | 0.337 | 22% | 0.221 | S | C | . | . | trans | -76.7 | 73.7 | 167.8 | -174.7 | -1 | 0 | 0 | 0 | 110.1 | A708 T715 T716 S717 | A708-D713 HydrophobicContact CB-CB 4.49Å; A708-D713 PolarHBondContact O-N 3.22Å; D713-T715 PolarHBondContact O-N 3.14Å; D713-T715 WeakPolarHBondContact OD1-CB 3.19Å; D713-T715 PolarHBondContact OD1-N 2.86Å; D713-T715 VanDerWaalsContact OD1-N 3.14Å; D713-T716 VanDerWaalsContact CG-CB 3.49Å; D713-T716 PolarHBondContact O-N 3.04Å; D713-T716 PolarHBondContact OD1-N 3.15Å; D713-T716 WeakPolarHBondContact OD2-CB 3.3Å; D713-T716 PolarHBondContact OD2-OG1 3.32Å; D713-S717 WeakPolarHBondContact O-CB 3.05Å; D713-S717 PolarHBondContact O-N 3.36Å | ||
| 714 | L | 90 | Very high | 90.5 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.4 | -22.6 | 175.5 | -58.7 | -178.6 | 0 | 0 | 0 | 112 | Y709 G712 C718 K749 Y750 | Y709-L714 HydrophobicContact CD2-CD2 3.73Å; Y709-L714 HydrophobicContact CE2-CD2 4.05Å; G712-L714 PolarHBondContact O-N 2.96Å; L714-C718 WeakPolarHBondContact O-CB 3.46Å; L714-C718 PolarHBondContact O-N 3.49Å; L714-C718 PolarHBondContact O-SG 3.13Å; L714-K749 HydrophobicContact CD1-CD 4.33Å; L714-K749 HydrophobicContact CD1-CG 4.05Å; L714-K749 HydrophobicContact CD2-CD 4.09Å; L714-Y750 HydrophobicContact CB-CD2 3.85Å |
| 715 | T | 88.2 | Confident | 90.1 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -76 | -49 | -179.8 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | D713 S717 K719 | D713-T715 PolarHBondContact O-N 3.14Å; D713-T715 WeakPolarHBondContact OD1-CB 3.19Å; D713-T715 PolarHBondContact OD1-N 2.86Å; D713-T715 VanDerWaalsContact OD1-N 3.14Å; T715-S717 VanDerWaalsContact C-N 3.29Å; T715-K719 HydrophobicContact CG2-CD 4.4Å; T715-K719 WeakPolarHBondContact O-CD 3.49Å; T715-K719 VanDerWaalsContact O-CG 3.29Å; T715-K719 WeakPolarHBondContact O-CG 3.33Å; T715-K719 PolarHBondContact O-N 3.06Å |
| 716 | T | 88.5 | Confident | 89.4 | Confident | 29 Ų | 29 | 43 Ų | 43 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.1 | -36.7 | 170.6 | -66 | 0 | 0 | 0 | 0 | 110.5 | V704 A708 D713 K719 A720 | V704-T716 HydrophobicContact CG1-CG2 4.07Å; A708-T716 HydrophobicContact CB-CG2 3.93Å; D713-T716 VanDerWaalsContact CG-CB 3.49Å; D713-T716 PolarHBondContact O-N 3.04Å; D713-T716 PolarHBondContact OD1-N 3.15Å; D713-T716 WeakPolarHBondContact OD2-CB 3.3Å; D713-T716 PolarHBondContact OD2-OG1 3.32Å; T716-K719 PolarHBondContact O-N 3.47Å; T716-A720 VanDerWaalsContact O-CB 3.3Å; T716-A720 WeakPolarHBondContact O-CB 3.48Å; T716-A720 PolarHBondContact O-N 2.91Å |
| 717 | S | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -54.7 | 178.1 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | G705 D713 T715 K719 A720 L721 T746 | G705-S717 PolarHBondContact O-OG 3.07Å; D713-S717 WeakPolarHBondContact O-CB 3.05Å; D713-S717 PolarHBondContact O-N 3.36Å; T715-S717 VanDerWaalsContact C-N 3.29Å; S717-K719 VanDerWaalsContact C-N 3.29Å; S717-K719 PolarHBondContact O-N 3.09Å; S717-A720 PolarHBondContact O-N 3.45Å; S717-L721 WeakPolarHBondContact O-CB 3.17Å; S717-L721 WeakPolarHBondContact O-CG 3.41Å; S717-L721 PolarHBondContact O-N 3.16Å; S717-T746 VanDerWaalsContact OG-CG2 3.24Å; S717-T746 WeakPolarHBondContact OG-CG2 3.09Å |
| 718 | C | 89.2 | Confident | 87.4 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 8% | 0.081 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.9 | -44 | 177.6 | -71 | 0 | 0 | 0 | 0 | 111.7 | L714 A722 T746 | L714-C718 WeakPolarHBondContact O-CB 3.46Å; L714-C718 PolarHBondContact O-N 3.49Å; L714-C718 PolarHBondContact O-SG 3.13Å; C718-A722 VanDerWaalsContact O-CB 3.29Å; C718-A722 WeakPolarHBondContact O-CB 3.45Å; C718-A722 PolarHBondContact O-N 2.89Å; C718-T746 VanDerWaalsContact SG-CG2 3.56Å |
| 719 | K | 88.2 | Confident | 86.9 | Confident | 139 Ų | 139 | 45.8 Ų | 45.8 | 60% | 0.604 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.2 | -49.3 | 179.5 | -72.4 | 172 | -178.8 | 176.2 | 0 | 112.1 | T715 T716 S717 L721 A722 E723 | T715-K719 HydrophobicContact CG2-CD 4.4Å; T715-K719 WeakPolarHBondContact O-CD 3.49Å; T715-K719 VanDerWaalsContact O-CG 3.29Å; T715-K719 WeakPolarHBondContact O-CG 3.33Å; T715-K719 PolarHBondContact O-N 3.06Å; T716-K719 PolarHBondContact O-N 3.47Å; S717-K719 VanDerWaalsContact C-N 3.29Å; S717-K719 PolarHBondContact O-N 3.09Å; K719-L721 VanDerWaalsContact C-N 3.34Å; K719-L721 PolarHBondContact O-N 3.17Å; K719-A722 PolarHBondContact O-N 3.33Å; K719-E723 VanDerWaalsContact O-CG 3.28Å; K719-E723 WeakPolarHBondContact O-CG 3.49Å; K719-E723 PolarHBondContact O-N 2.94Å; K719-E723 VanDerWaalsContact O-N 3.07Å |
| 720 | A | 90.3 | Very high | 86.4 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N701 V704 T716 S717 E723 | N701-A720 WeakPolarHBondContact CB-O 3.47Å; V704-A720 HydrophobicContact CB-CB 4.11Å; V704-A720 HydrophobicContact CG1-CB 3.77Å; T716-A720 VanDerWaalsContact O-CB 3.3Å; T716-A720 WeakPolarHBondContact O-CB 3.48Å; T716-A720 PolarHBondContact O-N 2.91Å; S717-A720 PolarHBondContact O-N 3.45Å; A720-E723 PolarHBondContact O-N 3.4Å |
| 721 | L | 91.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72 | -39.7 | 174.5 | -67.7 | 171.7 | 0 | 0 | 0 | 112 | F702 S717 K719 E723 T724 E742 Y743 T746 | F702-L721 HydrophobicContact CD2-CD2 3.97Å; F702-L721 HydrophobicContact CE2-CD2 4.49Å; S717-L721 WeakPolarHBondContact O-CB 3.17Å; S717-L721 WeakPolarHBondContact O-CG 3.41Å; S717-L721 PolarHBondContact O-N 3.16Å; K719-L721 VanDerWaalsContact C-N 3.34Å; K719-L721 PolarHBondContact O-N 3.17Å; L721-E723 VanDerWaalsContact C-N 3.25Å; L721-E723 PolarHBondContact O-N 2.78Å; L721-T724 WeakPolarHBondContact O-CB 3.22Å; L721-T724 PolarHBondContact O-N 3.32Å; L721-T724 PolarHBondContact O-OG1 3.2Å; L721-E742 HydrophobicContact CD1-CB 4.47Å; L721-E742 HydrophobicContact CD2-CB 4.45Å; L721-Y743 HydrophobicContact CB-CD2 3.83Å; L721-Y743 HydrophobicContact CB-CG 4.46Å; L721-T746 HydrophobicContact CD1-CG2 4.31Å; L721-T746 WeakPolarHBondContact CD1-OG1 3.44Å |
| 722 | A | 88.2 | Confident | 86.3 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -38.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C718 K719 T724 L725 Y743 P765 | C718-A722 VanDerWaalsContact O-CB 3.29Å; C718-A722 WeakPolarHBondContact O-CB 3.45Å; C718-A722 PolarHBondContact O-N 2.89Å; K719-A722 PolarHBondContact O-N 3.33Å; A722-T724 PolarHBondContact O-N 3.4Å; A722-T724 VanDerWaalsContact O-N 3.11Å; A722-L725 WeakPolarHBondContact O-CB 3.23Å; A722-L725 PolarHBondContact O-N 3.29Å; A722-Y743 HydrophobicContact CB-CD2 4.33Å; A722-Y743 HydrophobicContact CB-CE2 3.81Å; A722-P765 HydrophobicContact CB-CG 4.31Å |
| 723 | E | 87.8 | Confident | 86.1 | Confident | 82 Ų | 82 | 45 Ų | 45 | 38% | 0.383 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.4 | 177.2 | -72.1 | -80.3 | 97.9 | 0 | 0 | 114.1 | N701 K719 A720 L721 K726 | N701-E723 HydrophobicContact CB-CB 4.34Å; K719-E723 VanDerWaalsContact O-CG 3.28Å; K719-E723 WeakPolarHBondContact O-CG 3.49Å; K719-E723 PolarHBondContact O-N 2.94Å; K719-E723 VanDerWaalsContact O-N 3.07Å; A720-E723 PolarHBondContact O-N 3.4Å; L721-E723 VanDerWaalsContact C-N 3.25Å; L721-E723 PolarHBondContact O-N 2.78Å; E723-K726 WeakPolarHBondContact O-CD 3.27Å; E723-K726 VanDerWaalsContact O-CE 3.26Å; E723-K726 WeakPolarHBondContact O-CE 3.42Å; E723-K726 WeakPolarHBondContact O-CG 3.3Å; E723-K726 WeakPolarHBondContact OE1-CE 3.46Å; E723-K726 IonicContact OE1-NZ 3.81Å; E723-K726 PolarHBondContact OE1-NZ 3.02Å; E723-K726 WeakPolarHBondContact OE2-CE 3.21Å; E723-K726 IonicContact OE2-NZ 2.68Å; E723-K726 PolarHBondContact OE2-NZ 3.38Å |
| 724 | T | 88 | Confident | 86 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -10.5 | 171.3 | 71.4 | 0 | 0 | 0 | 0 | 113.9 | N701 F702 L721 A722 K726 F739 | N701-T724 HydrophobicContact CB-CG2 3.58Å; F702-T724 HydrophobicContact CB-CG2 4.05Å; L721-T724 WeakPolarHBondContact O-CB 3.22Å; L721-T724 PolarHBondContact O-N 3.32Å; L721-T724 PolarHBondContact O-OG1 3.2Å; A722-T724 PolarHBondContact O-N 3.4Å; A722-T724 VanDerWaalsContact O-N 3.11Å; T724-K726 VanDerWaalsContact C-N 3.27Å; T724-K726 PolarHBondContact O-N 3.47Å; T724-F739 HydrophobicContact CG2-CD2 4.42Å; T724-F739 HydrophobicContact CG2-CE2 4.47Å; T724-F739 WeakPolarHBondContact OG1-CB 3.48Å |
| 725 | L | 85.6 | Confident | 85.9 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -91.8 | 24 | -176.1 | -54.4 | -177.3 | 0 | 0 | 0 | 112.7 | A722 F739 V740 Y743 F764 P765 L766 M977 | A722-L725 WeakPolarHBondContact O-CB 3.23Å; A722-L725 PolarHBondContact O-N 3.29Å; L725-F739 HydrophobicContact CD2-CB 4.02Å; L725-V740 HydrophobicContact CD2-CG2 3.92Å; L725-Y743 HydrophobicContact CD1-CD1 4.01Å; L725-Y743 HydrophobicContact CD1-CD2 4.43Å; L725-Y743 HydrophobicContact CD1-CE1 4.45Å; L725-Y743 HydrophobicContact CD1-CG 4Å; L725-F764 HydrophobicContact CD1-CE2 4.03Å; L725-P765 HydrophobicContact CB-CG 4.18Å; L725-P765 HydrophobicContact CD1-CG 4.16Å; L725-L766 HydrophobicContact CB-CD1 4.17Å; L725-L766 HydrophobicContact CB-CG 4.37Å; L725-L766 HydrophobicContact CD1-CD1 4.23Å; L725-M977 HydrophobicContact CD2-CE 3.71Å; L725-M977 HydrophobicContact CD2-SD 3.88Å |
| 726 | K | 79.6 | Confident | 85.9 | Confident | 61 Ų | 61 | 48.8 Ų | 48.8 | 27% | 0.265 | 25% | 0.251 | S | S | . | . | trans | -84.7 | 149.8 | -174.4 | -65.7 | 176.3 | -176.2 | 173.9 | 0 | 113.1 | E723 T724 S728 S729 | E723-K726 WeakPolarHBondContact O-CD 3.27Å; E723-K726 VanDerWaalsContact O-CE 3.26Å; E723-K726 WeakPolarHBondContact O-CE 3.42Å; E723-K726 WeakPolarHBondContact O-CG 3.3Å; E723-K726 WeakPolarHBondContact OE1-CE 3.46Å; E723-K726 IonicContact OE1-NZ 3.81Å; E723-K726 PolarHBondContact OE1-NZ 3.02Å; E723-K726 WeakPolarHBondContact OE2-CE 3.21Å; E723-K726 IonicContact OE2-NZ 2.68Å; E723-K726 PolarHBondContact OE2-NZ 3.38Å; T724-K726 VanDerWaalsContact C-N 3.27Å; T724-K726 PolarHBondContact O-N 3.47Å; K726-S728 PolarHBondContact O-N 2.99Å; K726-S728 VanDerWaalsContact O-N 3.13Å; K726-S729 VanDerWaalsContact O-CB 3.3Å; K726-S729 WeakPolarHBondContact O-CB 3.3Å; K726-S729 PolarHBondContact O-N 3.47Å | ||
| 727 | S | 71.4 | Confident | 85.8 | Confident | 87 Ų | 87 | 47.8 Ų | 47.8 | 61% | 0.608 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -12.5 | 170.5 | 54.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 728 | S | 74.9 | Confident | 85.6 | Confident | 53 Ų | 53 | 50.7 Ų | 50.7 | 37% | 0.371 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.3 | 172.5 | 53.7 | 0 | 0 | 0 | 0 | 114 | S694 K726 | S694-S728 WeakPolarHBondContact CB-O 3.48Å; S694-S728 PolarHBondContact OG-O 2.85Å; K726-S728 PolarHBondContact O-N 2.99Å; K726-S728 VanDerWaalsContact O-N 3.13Å |
| 729 | S | 82.2 | Confident | 85.7 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | trans | -63.8 | 133.8 | -179.5 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | D698 K726 Q736 | D698-S729 WeakPolarHBondContact OD2-CA 3.42Å; D698-S729 VanDerWaalsContact OD2-CB 3.28Å; D698-S729 WeakPolarHBondContact OD2-CB 3.44Å; D698-S729 PolarHBondContact OD2-OG 3.3Å; K726-S729 VanDerWaalsContact O-CB 3.3Å; K726-S729 WeakPolarHBondContact O-CB 3.3Å; K726-S729 PolarHBondContact O-N 3.47Å; S729-Q736 PolarHBondContact OG-NE2 2.87Å | ||
| 730 | R | 83.4 | Confident | 85.6 | Confident | 174 Ų | 174 | 43.6 Ų | 43.6 | 66% | 0.657 | 23% | 0.227 | S | C | * | . | trans | -108.9 | 6.1 | 179.5 | -71.4 | -177.9 | 176.4 | -161.1 | -0.2 | 113.8 | L695 R978 | L695-R730 HydrophobicContact CD2-CB 3.85Å; L695-R730 HydrophobicContact CG-CB 4.33Å; R730-R978 PolarHBondContact O-NH1 3.32Å | ||
| 731 | Q | 88.1 | Confident | 85.5 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | trans | -64.8 | 164.2 | -174.7 | -65.6 | -73.9 | -4.4 | 0 | 0 | 113.6 | L695 D698 R735 Q736 F739 R978 | L695-Q731 HydrophobicContact CD2-CG 4.08Å; L695-Q731 PolarHBondContact O-NE2 3.3Å; D698-Q731 HydrophobicContact CB-CG 4.04Å; D698-Q731 WeakPolarHBondContact OD2-CG 3.3Å; Q731-R735 HydrophobicContact CB-CB 4.26Å; Q731-R735 HydrophobicContact CB-CG 4.31Å; Q731-R735 HydrophobicContact CG-CG 4.46Å; Q731-Q736 HydrophobicContact CB-CG 3.97Å; Q731-F739 HydrophobicContact CB-CE2 4.46Å; Q731-F739 HydrophobicContact CG-CE2 3.93Å; Q731-F739 HydrophobicContact CG-CZ 4.05Å; Q731-R978 PolarHBondContact O-NH1 3.38Å | ||
| 732 | S | 87.7 | Confident | 85.4 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 34% | 0.336 | 26% | 0.256 | S | S | . | . | trans | -67.2 | 158.8 | 173.5 | 80.3 | 0 | 0 | 0 | 0 | 111.5 | E734 R735 Q736 | S732-E734 VanDerWaalsContact C-N 3.28Å; S732-E734 WeakPolarHBondContact CB-OE2 3.4Å; S732-E734 PolarHBondContact O-N 2.9Å; S732-E734 PolarHBondContact OG-OE2 3.14Å; S732-R735 PolarHBondContact O-N 3.23Å; S732-R735 PolarHBondContact OG-N 3Å; S732-Q736 WeakPolarHBondContact O-CG 3.46Å; S732-Q736 PolarHBondContact O-N 2.67Å | ||
| 733 | A | 84 | Confident | 85.4 | Confident | 40 Ų | 40 | 49.3 Ų | 49.3 | 33% | 0.331 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58 | -41.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R735 Q736 L737 R978 I979 | A733-R735 VanDerWaalsContact C-N 3.31Å; A733-R735 PolarHBondContact O-N 2.83Å; A733-Q736 PolarHBondContact O-N 3.18Å; A733-L737 PolarHBondContact O-N 3.03Å; A733-R978 HydrophobicContact CB-CB 4.04Å; A733-R978 VanDerWaalsContact CB-O 3.26Å; A733-R978 WeakPolarHBondContact CB-O 3.41Å; A733-I979 HydrophobicContact CB-CG2 4.02Å; A733-I979 WeakPolarHBondContact O-CG2 3.41Å |
| 734 | E | 85.9 | Confident | 85.3 | Confident | 128 Ų | 128 | 45.6 Ų | 45.6 | 60% | 0.598 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -60.9 | -41.4 | 177 | -47.9 | 126 | 154.2 | 0 | 0 | 111.3 | S732 L737 I738 | S732-E734 VanDerWaalsContact C-N 3.28Å; S732-E734 WeakPolarHBondContact CB-OE2 3.4Å; S732-E734 PolarHBondContact O-N 2.9Å; S732-E734 PolarHBondContact OG-OE2 3.14Å; E734-L737 WeakPolarHBondContact O-CB 3.41Å; E734-L737 PolarHBondContact O-N 3.22Å; E734-I738 WeakPolarHBondContact O-CG1 3.27Å; E734-I738 PolarHBondContact O-N 3.2Å; E734-I738 VanDerWaalsContact O-N 3.15Å |
| 735 | R | 88.6 | Confident | 85.2 | Confident | 86 Ų | 86 | 49.1 Ų | 49.1 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.2 | -38.2 | 180 | -170.4 | 56.7 | 169.2 | -158.4 | -0.3 | 112.4 | Q731 S732 A733 L737 I738 F739 | Q731-R735 HydrophobicContact CB-CB 4.26Å; Q731-R735 HydrophobicContact CB-CG 4.31Å; Q731-R735 HydrophobicContact CG-CG 4.46Å; S732-R735 PolarHBondContact O-N 3.23Å; S732-R735 PolarHBondContact OG-N 3Å; A733-R735 VanDerWaalsContact C-N 3.31Å; A733-R735 PolarHBondContact O-N 2.83Å; R735-L737 VanDerWaalsContact C-N 3.31Å; R735-L737 PolarHBondContact O-N 3.22Å; R735-I738 WeakPolarHBondContact O-CB 3.34Å; R735-I738 PolarHBondContact O-N 3.3Å; R735-F739 HydrophobicContact CG-CE1 3.87Å; R735-F739 HydrophobicContact CG-CZ 3.93Å; R735-F739 VanDerWaalsContact O-CD1 3.28Å; R735-F739 WeakPolarHBondContact O-CD1 3.5Å; R735-F739 WeakPolarHBondContact O-CG 3.44Å; R735-F739 PolarHBondContact O-N 2.86Å; R735-F739 VanDerWaalsContact O-N 3.1Å |
| 736 | Q | 88.2 | Confident | 85.3 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -33 | 172.9 | -74.9 | -175.1 | -16.7 | 0 | 0 | 112.3 | S729 Q731 S732 A733 F739 V740 M977 I979 | S729-Q736 PolarHBondContact OG-NE2 2.87Å; Q731-Q736 HydrophobicContact CB-CG 3.97Å; S732-Q736 WeakPolarHBondContact O-CG 3.46Å; S732-Q736 PolarHBondContact O-N 2.67Å; A733-Q736 PolarHBondContact O-N 3.18Å; Q736-F739 WeakPolarHBondContact O-CB 3.23Å; Q736-F739 PolarHBondContact O-N 3.3Å; Q736-V740 PolarHBondContact O-N 3.05Å; Q736-M977 HydrophobicContact CB-CE 3.68Å; Q736-M977 HydrophobicContact CG-CE 3.76Å; Q736-I979 HydrophobicContact CB-CG2 4.43Å |
| 737 | L | 86.8 | Confident | 85.5 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 171.9 | -169.3 | 69.5 | 0 | 0 | 0 | 112.1 | A733 E734 R735 F739 V740 K741 I979 Y1107 P1110 | A733-L737 PolarHBondContact O-N 3.03Å; E734-L737 WeakPolarHBondContact O-CB 3.41Å; E734-L737 PolarHBondContact O-N 3.22Å; R735-L737 VanDerWaalsContact C-N 3.31Å; R735-L737 PolarHBondContact O-N 3.22Å; L737-F739 VanDerWaalsContact C-N 3.29Å; L737-F739 PolarHBondContact O-N 2.77Å; L737-V740 PolarHBondContact O-N 3.39Å; L737-K741 WeakPolarHBondContact O-CG 3.45Å; L737-K741 PolarHBondContact O-N 3.35Å; L737-I979 HydrophobicContact CB-CG2 4.19Å; L737-I979 HydrophobicContact CD1-CD1 4.15Å; L737-Y1107 HydrophobicContact CD1-CD2 3.69Å; L737-Y1107 HydrophobicContact CD1-CG 4.01Å; L737-P1110 HydrophobicContact CD2-CB 4.43Å; L737-P1110 VanDerWaalsContact CD2-CD 3.43Å; L737-P1110 HydrophobicContact CD2-CG 3.83Å |
| 738 | I | 89.2 | Confident | 86.1 | Confident | 62 Ų | 62 | 45.4 Ų | 45.4 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 174.2 | -64.7 | 165.9 | 0 | 0 | 0 | 110.1 | F702 E734 R735 V740 K741 E742 | F702-I738 HydrophobicContact CE2-CG2 3.95Å; F702-I738 HydrophobicContact CZ-CG2 3.62Å; E734-I738 WeakPolarHBondContact O-CG1 3.27Å; E734-I738 PolarHBondContact O-N 3.2Å; E734-I738 VanDerWaalsContact O-N 3.15Å; R735-I738 WeakPolarHBondContact O-CB 3.34Å; R735-I738 PolarHBondContact O-N 3.3Å; I738-V740 PolarHBondContact O-N 2.98Å; I738-K741 PolarHBondContact O-N 3.33Å; I738-E742 HydrophobicContact CG2-CG 4.06Å; I738-E742 WeakPolarHBondContact O-CB 3.43Å; I738-E742 WeakPolarHBondContact O-CG 3.49Å; I738-E742 PolarHBondContact O-N 3.27Å |
| 739 | F | 90.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 175.3 | -62.7 | -8 | 0 | 0 | 0 | 111.9 | D698 F702 T724 L725 Q731 R735 Q736 L737 E742 Y743 | D698-F739 HydrophobicContact CB-CE2 3.98Å; D698-F739 HydrophobicContact CB-CZ 4.03Å; F702-F739 HydrophobicContact CB-CD1 4.39Å; F702-F739 HydrophobicContact CB-CE1 3.88Å; F702-F739 HydrophobicContact CB-CZ 4.4Å; F702-F739 HydrophobicContact CD1-CE1 4.25Å; F702-F739 AromaticContact CD2-CD1 3.27Å; F702-F739 HydrophobicContact CD2-CD1 3.27Å; F702-F739 AromaticContact CD2-CE1 3.5Å; F702-F739 HydrophobicContact CD2-CE1 3.5Å; F702-F739 VanDerWaalsContact CD2-CE1 3.5Å; F702-F739 HydrophobicContact CD2-CG 4.28Å; F702-F739 AromaticContact CE2-CD1 3.55Å; F702-F739 HydrophobicContact CE2-CD1 3.55Å; F702-F739 AromaticContact CE2-CE1 4Å; F702-F739 HydrophobicContact CE2-CE1 4Å; F702-F739 AromaticContact CG-CD1 3.92Å; F702-F739 HydrophobicContact CG-CD1 3.92Å; F702-F739 AromaticContact CG-CE1 3.62Å; F702-F739 HydrophobicContact CG-CE1 3.62Å; F702-F739 HydrophobicContact CZ-CD1 4.38Å; T724-F739 HydrophobicContact CG2-CD2 4.42Å; T724-F739 HydrophobicContact CG2-CE2 4.47Å; T724-F739 WeakPolarHBondContact OG1-CB 3.48Å; L725-F739 HydrophobicContact CD2-CB 4.02Å; Q731-F739 HydrophobicContact CB-CE2 4.46Å; Q731-F739 HydrophobicContact CG-CE2 3.93Å; Q731-F739 HydrophobicContact CG-CZ 4.05Å; R735-F739 HydrophobicContact CG-CE1 3.87Å; R735-F739 HydrophobicContact CG-CZ 3.93Å; R735-F739 VanDerWaalsContact O-CD1 3.28Å; R735-F739 WeakPolarHBondContact O-CD1 3.5Å; R735-F739 WeakPolarHBondContact O-CG 3.44Å; R735-F739 PolarHBondContact O-N 2.86Å; R735-F739 VanDerWaalsContact O-N 3.1Å; Q736-F739 WeakPolarHBondContact O-CB 3.23Å; Q736-F739 PolarHBondContact O-N 3.3Å; L737-F739 VanDerWaalsContact C-N 3.29Å; L737-F739 PolarHBondContact O-N 2.77Å; F739-E742 PolarHBondContact O-N 3.5Å; F739-Y743 VanDerWaalsContact O-CB 3.26Å; F739-Y743 WeakPolarHBondContact O-CB 3.46Å; F739-Y743 PolarHBondContact O-N 2.94Å |
| 740 | V | 86.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 175.7 | 151.3 | 0 | 0 | 0 | 0 | 112.6 | L725 Q736 L737 I738 L744 M977 I979 W1105 Y1107 | L725-V740 HydrophobicContact CD2-CG2 3.92Å; Q736-V740 PolarHBondContact O-N 3.05Å; L737-V740 PolarHBondContact O-N 3.39Å; I738-V740 PolarHBondContact O-N 2.98Å; V740-L744 HydrophobicContact CG1-CD1 4.09Å; V740-L744 WeakPolarHBondContact O-CB 3.29Å; V740-L744 WeakPolarHBondContact O-CG 3.48Å; V740-L744 PolarHBondContact O-N 2.89Å; V740-M977 HydrophobicContact CG2-SD 3.9Å; V740-I979 HydrophobicContact CB-CD1 4.13Å; V740-I979 HydrophobicContact CG2-CD1 3.65Å; V740-W1105 HydrophobicContact CB-CH2 4.11Å; V740-W1105 HydrophobicContact CB-CZ2 4.41Å; V740-W1105 HydrophobicContact CG1-CH2 3.52Å; V740-W1105 HydrophobicContact CG1-CZ2 3.66Å; V740-W1105 HydrophobicContact CG2-CH2 3.78Å; V740-W1105 HydrophobicContact CG2-CZ2 3.93Å; V740-Y1107 HydrophobicContact CG1-CD1 3.64Å; V740-Y1107 HydrophobicContact CG1-CE1 4.47Å; V740-Y1107 HydrophobicContact CG1-CG 3.94Å |
| 741 | K | 87 | Confident | 86.5 | Confident | 86 Ų | 86 | 42.3 Ų | 42.3 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 179.1 | -77.1 | -177.1 | 170.7 | -170.3 | 0 | 112.5 | L737 I738 L744 S745 Y1107 | L737-K741 WeakPolarHBondContact O-CG 3.45Å; L737-K741 PolarHBondContact O-N 3.35Å; I738-K741 PolarHBondContact O-N 3.33Å; K741-L744 PolarHBondContact O-N 3.2Å; K741-S745 WeakPolarHBondContact O-CB 3.29Å; K741-S745 PolarHBondContact O-N 3.44Å; K741-Y1107 HydrophobicContact CD-CE2 4.27Å; K741-Y1107 WeakPolarHBondContact CE-OH 3.31Å; K741-Y1107 HydrophobicContact CG-CE1 3.99Å; K741-Y1107 HydrophobicContact CG-CE2 3.95Å |
| 742 | E | 89.3 | Confident | 86.2 | Confident | 61 Ų | 61 | 43.4 Ų | 43.4 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.7 | -38.1 | -176.4 | -59.9 | -87.9 | 174.3 | 0 | 0 | 111 | F702 K706 L721 I738 F739 T746 | F702-E742 HydrophobicContact CE2-CB 4.24Å; F702-E742 HydrophobicContact CE2-CG 3.92Å; F702-E742 HydrophobicContact CZ-CG 4.22Å; K706-E742 WeakPolarHBondContact CE-OE1 3.23Å; K706-E742 WeakPolarHBondContact CE-OE2 3.43Å; K706-E742 IonicContact NZ-OE1 2.69Å; K706-E742 PolarHBondContact NZ-OE1 3.14Å; K706-E742 IonicContact NZ-OE2 3.46Å; K706-E742 PolarHBondContact NZ-OE2 3.39Å; L721-E742 HydrophobicContact CD1-CB 4.47Å; L721-E742 HydrophobicContact CD2-CB 4.45Å; I738-E742 HydrophobicContact CG2-CG 4.06Å; I738-E742 WeakPolarHBondContact O-CB 3.43Å; I738-E742 WeakPolarHBondContact O-CG 3.49Å; I738-E742 PolarHBondContact O-N 3.27Å; F739-E742 PolarHBondContact O-N 3.5Å; E742-T746 WeakPolarHBondContact O-CB 3.4Å; E742-T746 PolarHBondContact O-N 2.92Å; E742-T746 PolarHBondContact O-OG1 3.16Å |
| 743 | Y | 88.8 | Confident | 85.8 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -51.2 | 171.5 | 176 | -98 | 0 | 0 | 0 | 111.2 | L721 A722 L725 F739 S745 T746 L747 F764 W1105 | L721-Y743 HydrophobicContact CB-CD2 3.83Å; L721-Y743 HydrophobicContact CB-CG 4.46Å; A722-Y743 HydrophobicContact CB-CD2 4.33Å; A722-Y743 HydrophobicContact CB-CE2 3.81Å; L725-Y743 HydrophobicContact CD1-CD1 4.01Å; L725-Y743 HydrophobicContact CD1-CD2 4.43Å; L725-Y743 HydrophobicContact CD1-CE1 4.45Å; L725-Y743 HydrophobicContact CD1-CG 4Å; F739-Y743 VanDerWaalsContact O-CB 3.26Å; F739-Y743 WeakPolarHBondContact O-CB 3.46Å; F739-Y743 PolarHBondContact O-N 2.94Å; Y743-S745 PolarHBondContact O-N 3.35Å; Y743-T746 PolarHBondContact O-N 2.87Å; Y743-L747 HydrophobicContact CE1-CB 4.46Å; Y743-L747 HydrophobicContact CE1-CD2 3.7Å; Y743-L747 VanDerWaalsContact O-CB 3.28Å; Y743-L747 WeakPolarHBondContact O-CB 3.39Å; Y743-L747 PolarHBondContact O-N 3.01Å; Y743-F764 HydrophobicContact CD1-CD2 4.38Å; Y743-F764 AromaticContact CD1-CE2 3.98Å; Y743-F764 HydrophobicContact CD1-CE2 3.98Å; Y743-F764 AromaticContact CE1-CD2 3.43Å; Y743-F764 HydrophobicContact CE1-CD2 3.43Å; Y743-F764 VanDerWaalsContact CE1-CD2 3.43Å; Y743-F764 AromaticContact CE1-CE2 3.47Å; Y743-F764 HydrophobicContact CE1-CE2 3.47Å; Y743-F764 VanDerWaalsContact CE1-CE2 3.47Å; Y743-F764 AromaticContact CZ-CD2 3.94Å; Y743-W1105 HydrophobicContact CD1-CZ3 4.36Å |
| 744 | L | 85.2 | Confident | 85.1 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -48.4 | 179.1 | -84.9 | 169.9 | 0 | 0 | 0 | 112.7 | V740 K741 T746 L747 T748 W1105 Y1107 V1191 | V740-L744 HydrophobicContact CG1-CD1 4.09Å; V740-L744 WeakPolarHBondContact O-CB 3.29Å; V740-L744 WeakPolarHBondContact O-CG 3.48Å; V740-L744 PolarHBondContact O-N 2.89Å; K741-L744 PolarHBondContact O-N 3.2Å; L744-T746 VanDerWaalsContact C-N 3.31Å; L744-T746 PolarHBondContact O-N 2.89Å; L744-L747 PolarHBondContact O-N 3.29Å; L744-L747 VanDerWaalsContact O-N 3.13Å; L744-T748 PolarHBondContact O-N 3.17Å; L744-T748 PolarHBondContact O-OG1 2.89Å; L744-T748 VanDerWaalsContact O-OG1 3.14Å; L744-W1105 HydrophobicContact CD1-CE3 4.1Å; L744-W1105 HydrophobicContact CD1-CH2 3.84Å; L744-W1105 HydrophobicContact CD1-CZ2 4.48Å; L744-W1105 HydrophobicContact CD1-CZ3 3.62Å; L744-W1105 HydrophobicContact CD2-CE3 3.59Å; L744-W1105 HydrophobicContact CD2-CH2 4.43Å; L744-W1105 HydrophobicContact CD2-CZ3 3.42Å; L744-W1105 VanDerWaalsContact CD2-CZ3 3.42Å; L744-W1105 HydrophobicContact CG-CE3 4.03Å; L744-W1105 HydrophobicContact CG-CH2 3.96Å; L744-W1105 HydrophobicContact CG-CZ3 3.39Å; L744-Y1107 HydrophobicContact CD1-CD1 3.54Å; L744-Y1107 HydrophobicContact CD1-CE1 3.69Å; L744-V1191 HydrophobicContact CD2-CB 3.85Å; L744-V1191 HydrophobicContact CD2-CG2 3.54Å |
| 745 | S | 86.7 | Confident | 84 | Confident | 73 Ų | 73 | 49 Ų | 49 | 51% | 0.51 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 178.4 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | K741 Y743 K749 | K741-S745 WeakPolarHBondContact O-CB 3.29Å; K741-S745 PolarHBondContact O-N 3.44Å; Y743-S745 PolarHBondContact O-N 3.35Å; S745-K749 PolarHBondContact O-N 3.23Å |
| 746 | T | 86.8 | Confident | 82.2 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | Y709 S717 C718 L721 E742 Y743 L744 K749 Y750 | Y709-T746 HydrophobicContact CD2-CG2 4.21Å; S717-T746 VanDerWaalsContact OG-CG2 3.24Å; S717-T746 WeakPolarHBondContact OG-CG2 3.09Å; C718-T746 VanDerWaalsContact SG-CG2 3.56Å; L721-T746 HydrophobicContact CD1-CG2 4.31Å; L721-T746 WeakPolarHBondContact CD1-OG1 3.44Å; E742-T746 WeakPolarHBondContact O-CB 3.4Å; E742-T746 PolarHBondContact O-N 2.92Å; E742-T746 PolarHBondContact O-OG1 3.16Å; Y743-T746 PolarHBondContact O-N 2.87Å; L744-T746 VanDerWaalsContact C-N 3.31Å; L744-T746 PolarHBondContact O-N 2.89Å; T746-K749 PolarHBondContact O-N 3.15Å; T746-Y750 WeakPolarHBondContact O-CB 3.16Å; T746-Y750 PolarHBondContact O-N 3.1Å |
| 747 | L | 84 | Confident | 80.3 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -47.3 | -177.2 | -167.9 | 68.1 | 0 | 0 | 0 | 112 | Y743 L744 K749 Y750 L751 P762 V1191 | Y743-L747 HydrophobicContact CE1-CB 4.46Å; Y743-L747 HydrophobicContact CE1-CD2 3.7Å; Y743-L747 VanDerWaalsContact O-CB 3.28Å; Y743-L747 WeakPolarHBondContact O-CB 3.39Å; Y743-L747 PolarHBondContact O-N 3.01Å; L744-L747 PolarHBondContact O-N 3.29Å; L744-L747 VanDerWaalsContact O-N 3.13Å; L747-K749 VanDerWaalsContact C-N 3.27Å; L747-K749 PolarHBondContact O-N 3.4Å; L747-Y750 PolarHBondContact O-N 2.97Å; L747-L751 HydrophobicContact CG-CD1 4.3Å; L747-L751 WeakPolarHBondContact O-CB 3.41Å; L747-L751 WeakPolarHBondContact O-CG 3.42Å; L747-L751 PolarHBondContact O-N 2.78Å; L747-P762 HydrophobicContact CD1-CB 4.25Å; L747-P762 HydrophobicContact CD1-CG 3.52Å; L747-V1191 HydrophobicContact CD2-CG1 3.92Å |
| 748 | T | 83.8 | Confident | 78.2 | Confident | 62 Ų | 62 | 65.6 Ų | 65.6 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | L744 S752 V1191 | L744-T748 PolarHBondContact O-N 3.17Å; L744-T748 PolarHBondContact O-OG1 2.89Å; L744-T748 VanDerWaalsContact O-OG1 3.14Å; T748-S752 WeakPolarHBondContact O-CB 3.37Å; T748-S752 PolarHBondContact O-N 3.31Å; T748-S752 PolarHBondContact O-OG 2.81Å; T748-V1191 WeakPolarHBondContact OG1-CG2 3.48Å |
| 749 | K | 85.2 | Confident | 76.1 | Confident | 84 Ų | 84 | 67.7 Ų | 67.7 | 37% | 0.365 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.2 | -39 | 175.9 | -166.6 | -177.7 | -174.9 | -178.9 | 0 | 112.9 | Y709 L714 S745 T746 L747 S752 T753 | Y709-K749 HydrophobicContact CE2-CD 3.52Å; Y709-K749 WeakPolarHBondContact OH-CD 3.44Å; Y709-K749 PolarHBondContact OH-NZ 3.24Å; Y709-K749 VanDerWaalsContact OH-NZ 3.08Å; L714-K749 HydrophobicContact CD1-CD 4.33Å; L714-K749 HydrophobicContact CD1-CG 4.05Å; L714-K749 HydrophobicContact CD2-CD 4.09Å; S745-K749 PolarHBondContact O-N 3.23Å; T746-K749 PolarHBondContact O-N 3.15Å; L747-K749 VanDerWaalsContact C-N 3.27Å; L747-K749 PolarHBondContact O-N 3.4Å; K749-S752 PolarHBondContact O-OG 3.39Å; K749-T753 WeakPolarHBondContact O-CB 3.45Å; K749-T753 PolarHBondContact O-N 3.37Å; K749-T753 PolarHBondContact O-OG1 3.36Å |
| 750 | Y | 83.4 | Confident | 74.2 | Confident | 38 Ų | 38 | 73.5 Ų | 73.5 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 175.5 | 175.4 | -104.9 | 0 | 0 | 0 | 111.5 | L714 T746 L747 N754 P762 | L714-Y750 HydrophobicContact CB-CD2 3.85Å; T746-Y750 WeakPolarHBondContact O-CB 3.16Å; T746-Y750 PolarHBondContact O-N 3.1Å; L747-Y750 PolarHBondContact O-N 2.97Å; Y750-N754 WeakPolarHBondContact CD2-ND2 3.4Å; Y750-N754 WeakPolarHBondContact CE2-ND2 3.33Å; Y750-N754 PolarHBondContact O-N 3.39Å; Y750-N754 PolarHBondContact O-ND2 3.46Å; Y750-P762 HydrophobicContact CD1-CG 4.46Å; Y750-P762 HydrophobicContact CE1-CG 4.4Å |
| 751 | L | 80.5 | Confident | 72.6 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 27% | 0.272 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69 | -42.7 | 176.8 | -69.5 | 173.7 | 0 | 0 | 0 | 112.6 | L747 T753 N754 L761 P762 V1191 | L747-L751 HydrophobicContact CG-CD1 4.3Å; L747-L751 WeakPolarHBondContact O-CB 3.41Å; L747-L751 WeakPolarHBondContact O-CG 3.42Å; L747-L751 PolarHBondContact O-N 2.78Å; L751-T753 PolarHBondContact O-N 3.4Å; L751-N754 PolarHBondContact O-N 2.9Å; L751-L761 HydrophobicContact CD2-CD2 3.76Å; L751-P762 HydrophobicContact CD2-CG 4.29Å; L751-V1191 HydrophobicContact CD1-CG1 4.11Å |
| 752 | S | 81.5 | Confident | 71.1 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.3 | -22.5 | -179.3 | 70.5 | 0 | 0 | 0 | 0 | 113.6 | T748 K749 R755 | T748-S752 WeakPolarHBondContact O-CB 3.37Å; T748-S752 PolarHBondContact O-N 3.31Å; T748-S752 PolarHBondContact O-OG 2.81Å; K749-S752 PolarHBondContact O-OG 3.39Å; S752-R755 WeakPolarHBondContact O-CG 3.27Å; S752-R755 PolarHBondContact O-NE 2.86Å; S752-R755 VanDerWaalsContact O-NE 3.12Å |
| 753 | T | 79.7 | Confident | 69.7 | Low | 85 Ų | 85 | 77.6 Ų | 77.6 | 52% | 0.521 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -87.5 | -35.3 | 178.8 | -52.5 | 0 | 0 | 0 | 0 | 113.2 | K749 L751 R755 | K749-T753 WeakPolarHBondContact O-CB 3.45Å; K749-T753 PolarHBondContact O-N 3.37Å; K749-T753 PolarHBondContact O-OG1 3.36Å; L751-T753 PolarHBondContact O-N 3.4Å; T753-R755 PolarHBondContact O-N 3.48Å |
| 754 | N | 70.2 | Confident | 68.6 | Low | 54 Ų | 54 | 77.8 Ų | 77.8 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | trans | -99.1 | 34.7 | -172.1 | -70.3 | -74.4 | 0 | 0 | 0 | 114.2 | Y750 L751 D756 | Y750-N754 WeakPolarHBondContact CD2-ND2 3.4Å; Y750-N754 WeakPolarHBondContact CE2-ND2 3.33Å; Y750-N754 PolarHBondContact O-N 3.39Å; Y750-N754 PolarHBondContact O-ND2 3.46Å; L751-N754 PolarHBondContact O-N 2.9Å; N754-D756 VanDerWaalsContact C-N 3.29Å; N754-D756 PolarHBondContact O-N 3.13Å | ||
| 755 | R | 61.4 | Low | 67.7 | Low | 194 Ų | 194 | 80.1 Ų | 80.1 | 73% | 0.732 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -33.7 | -173.1 | -57.7 | -172.6 | -169.6 | -152.1 | 4 | 114.3 | S752 T753 K757 | S752-R755 WeakPolarHBondContact O-CG 3.27Å; S752-R755 PolarHBondContact O-NE 2.86Å; S752-R755 VanDerWaalsContact O-NE 3.12Å; T753-R755 PolarHBondContact O-N 3.48Å; R755-K757 PolarHBondContact O-N 3.3Å |
| 756 | D | 50.7 | Low | 67 | Low | 155 Ų | 155 | 76.6 Ų | 76.6 | 83% | 0.829 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 16.1 | -164.1 | -46.7 | -47.3 | 0 | 0 | 0 | 114.3 | N754 | N754-D756 VanDerWaalsContact C-N 3.29Å; N754-D756 PolarHBondContact O-N 3.13Å |
| 757 | K | 48.8 | Very low | 66.3 | Low | 136 Ų | 136 | 76.8 Ų | 76.8 | 59% | 0.591 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -128.6 | 142.1 | -179.5 | -66.8 | 177.6 | -178.1 | 168.3 | 0 | 110.3 | R755 Q759 | R755-K757 PolarHBondContact O-N 3.3Å; K757-Q759 HydrophobicContact CB-CG 4.06Å; K757-Q759 PolarHBondContact O-N 3.17Å |
| 758 | E | 43.7 | Very low | 65.7 | Low | 155 Ų | 155 | 79.6 Ų | 79.6 | 72% | 0.724 | 41% | 0.405 | S | S | * | . | trans | -70 | 34.8 | -177 | -51.3 | -179.2 | 123.6 | 0 | 0 | 113.7 | H1044 | E758-H1044 IonicContact OE1-CD2 3.99Å; E758-H1044 IonicContact OE1-CE1 3.75Å; E758-H1044 IonicContact OE1-NE2 2.71Å; E758-H1044 PolarHBondContact OE1-NE2 3.37Å | ||
| 759 | Q | 44.9 | Very low | 65.3 | Low | 106 Ų | 106 | 78 Ų | 78 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | trans | -84 | 122 | -173.4 | -65.4 | -172.5 | -0.4 | 0 | 0 | 109.8 | K757 L761 | K757-Q759 HydrophobicContact CB-CG 4.06Å; K757-Q759 PolarHBondContact O-N 3.17Å; Q759-L761 PolarHBondContact O-N 3.34Å | ||
| 760 | T | 50.4 | Low | 64.6 | Low | 123 Ų | 123 | 75.4 Ų | 75.4 | 76% | 0.755 | 38% | 0.384 | S | S | * | . | trans | -49.1 | 129.9 | 174.2 | 50.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 761 | L | 51.9 | Low | 64 | Low | 84 Ų | 84 | 77.2 Ų | 77.2 | 44% | 0.44 | 40% | 0.396 | S | S | . | . | trans | -44.5 | 128.9 | 172.3 | -74.7 | 170.7 | 0 | 0 | 0 | 110.2 | L751 Q759 E763 | L751-L761 HydrophobicContact CD2-CD2 3.76Å; Q759-L761 PolarHBondContact O-N 3.34Å; L761-E763 PolarHBondContact O-N 3.08Å | ||
| 762 | P | 56.2 | Low | 63.3 | Low | 41 Ų | 41 | 82.3 Ų | 82.3 | 27% | 0.266 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 130.3 | -176.8 | 24.8 | -34.5 | 0 | 0 | 0 | 110.8 | L747 Y750 L751 F764 | L747-P762 HydrophobicContact CD1-CB 4.25Å; L747-P762 HydrophobicContact CD1-CG 3.52Å; Y750-P762 HydrophobicContact CD1-CG 4.46Å; Y750-P762 HydrophobicContact CE1-CG 4.4Å; L751-P762 HydrophobicContact CD2-CG 4.29Å; P762-F764 PolarHBondContact O-N 3.05Å |
| 763 | E | 60.5 | Low | 62.6 | Low | 107 Ų | 107 | 82.5 Ų | 82.5 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 124.9 | -178.8 | -173 | 164.7 | -154.1 | 0 | 0 | 110.5 | L761 H1199 | L761-E763 PolarHBondContact O-N 3.08Å; E763-H1199 IonicContact OE2-CE1 3.54Å; E763-H1199 PolarHBondContact OE2-CE1 3.34Å |
| 764 | F | 64.9 | Low | 62.1 | Low | 9 Ų | 9 | 78.9 Ų | 78.9 | 4% | 0.039 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -92 | 123.6 | -176.1 | -179.6 | -125.5 | 0 | 0 | 0 | 110.1 | L725 Y743 P762 L766 F1103 W1105 | L725-F764 HydrophobicContact CD1-CE2 4.03Å; Y743-F764 HydrophobicContact CD1-CD2 4.38Å; Y743-F764 AromaticContact CD1-CE2 3.98Å; Y743-F764 HydrophobicContact CD1-CE2 3.98Å; Y743-F764 AromaticContact CE1-CD2 3.43Å; Y743-F764 HydrophobicContact CE1-CD2 3.43Å; Y743-F764 VanDerWaalsContact CE1-CD2 3.43Å; Y743-F764 AromaticContact CE1-CE2 3.47Å; Y743-F764 HydrophobicContact CE1-CE2 3.47Å; Y743-F764 VanDerWaalsContact CE1-CE2 3.47Å; Y743-F764 AromaticContact CZ-CD2 3.94Å; P762-F764 PolarHBondContact O-N 3.05Å; F764-L766 HydrophobicContact CD1-CB 4.4Å; F764-L766 WeakPolarHBondContact CD1-O 3.21Å; F764-L766 HydrophobicContact CE1-CB 3.67Å; F764-L766 WeakPolarHBondContact CE1-O 3.42Å; F764-L766 HydrophobicContact CZ-CB 3.69Å; F764-L766 HydrophobicContact CZ-CD1 3.94Å; F764-L766 HydrophobicContact CZ-CG 4.1Å; F764-L766 PolarHBondContact O-N 3.12Å; F764-F1103 HydrophobicContact CD1-CE2 4.1Å; F764-F1103 HydrophobicContact CD1-CZ 4.21Å; F764-W1105 HydrophobicContact CD1-CD2 4.48Å; F764-W1105 HydrophobicContact CD1-CE3 4.22Å; F764-W1105 HydrophobicContact CD2-CE3 4.47Å; F764-W1105 HydrophobicContact CD2-CZ3 4.31Å; F764-W1105 AromaticContact CE1-CD2 3.51Å; F764-W1105 HydrophobicContact CE1-CD2 3.51Å; F764-W1105 AromaticContact CE1-CE2 3.95Å; F764-W1105 AromaticContact CE1-CE3 3.43Å; F764-W1105 HydrophobicContact CE1-CE3 3.43Å; F764-W1105 VanDerWaalsContact CE1-CE3 3.43Å; F764-W1105 HydrophobicContact CE1-CG 4.02Å; F764-W1105 HydrophobicContact CE1-CH2 4.26Å; F764-W1105 HydrophobicContact CE1-CZ2 4.33Å; F764-W1105 AromaticContact CE1-CZ3 3.83Å; F764-W1105 HydrophobicContact CE1-CZ3 3.83Å; F764-W1105 AromaticContact CE2-CE3 3.77Å; F764-W1105 HydrophobicContact CE2-CE3 3.77Å; F764-W1105 AromaticContact CE2-CH2 3.82Å; F764-W1105 HydrophobicContact CE2-CH2 3.82Å; F764-W1105 AromaticContact CE2-CZ3 3.34Å; F764-W1105 HydrophobicContact CE2-CZ3 3.34Å; F764-W1105 AromaticContact CZ-CD2 3.59Å; F764-W1105 HydrophobicContact CZ-CD2 3.59Å; F764-W1105 AromaticContact CZ-CE2 3.78Å; F764-W1105 AromaticContact CZ-CE3 3.21Å; F764-W1105 HydrophobicContact CZ-CE3 3.21Å; F764-W1105 AromaticContact CZ-CH2 3.32Å; F764-W1105 HydrophobicContact CZ-CH2 3.32Å; F764-W1105 AromaticContact CZ-CZ2 3.69Å; F764-W1105 HydrophobicContact CZ-CZ2 3.69Å; F764-W1105 AromaticContact CZ-CZ3 3.06Å; F764-W1105 HydrophobicContact CZ-CZ3 3.06Å |
| 765 | P | 67.1 | Low | 62.2 | Low | 53 Ų | 53 | 78 Ų | 78 | 34% | 0.344 | 38% | 0.384 | S | S | . | . | trans | -74.6 | 4.8 | -169.3 | 29.4 | -38 | 0 | 0 | 0 | 115.6 | A722 L725 | A722-P765 HydrophobicContact CB-CG 4.31Å; L725-P765 HydrophobicContact CB-CG 4.18Å; L725-P765 HydrophobicContact CD1-CG 4.16Å | ||
| 766 | L | 70.6 | Confident | 62.6 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -131.5 | 147.8 | -178.4 | -55.8 | 173.8 | 0 | 0 | 0 | 111.2 | L725 F764 P976 M977 L981 | L725-L766 HydrophobicContact CB-CD1 4.17Å; L725-L766 HydrophobicContact CB-CG 4.37Å; L725-L766 HydrophobicContact CD1-CD1 4.23Å; F764-L766 HydrophobicContact CD1-CB 4.4Å; F764-L766 WeakPolarHBondContact CD1-O 3.21Å; F764-L766 HydrophobicContact CE1-CB 3.67Å; F764-L766 WeakPolarHBondContact CE1-O 3.42Å; F764-L766 HydrophobicContact CZ-CB 3.69Å; F764-L766 HydrophobicContact CZ-CD1 3.94Å; F764-L766 HydrophobicContact CZ-CG 4.1Å; F764-L766 PolarHBondContact O-N 3.12Å; L766-P976 HydrophobicContact CD2-CG 3.26Å; L766-M977 HydrophobicContact CD1-CG 4.04Å; L766-M977 HydrophobicContact CD1-SD 3.59Å; L766-M977 VanDerWaalsContact CD1-SD 3.59Å; L766-M977 HydrophobicContact CD2-CG 4.23Å; L766-L981 HydrophobicContact CB-CD1 4.28Å; L766-L981 HydrophobicContact CD1-CD1 4.36Å; L766-L981 HydrophobicContact CD1-CD2 4.5Å | ||
| 767 | P | 73.2 | Confident | 63.6 | Low | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | S | Bend | cis | -80.6 | 162.3 | -10.8 | 32.5 | -25.8 | 0 | 0 | 0 | 110.6 | I769 L973 I974 F983 I1071 | P767-I769 PolarHBondContact O-N 3Å; P767-L973 HydrophobicContact CB-CB 4.26Å; P767-L973 HydrophobicContact CG-CB 4.06Å; P767-L973 HydrophobicContact CG-CD1 3.91Å; P767-L973 HydrophobicContact CG-CD2 4.16Å; P767-L973 HydrophobicContact CG-CG 4.26Å; P767-I974 WeakPolarHBondContact CB-O 3.43Å; P767-F983 HydrophobicContact CB-CZ 4.32Å; P767-F983 VanDerWaalsContact CD-CZ 3.49Å; P767-F983 HydrophobicContact CG-CE1 4.41Å; P767-F983 HydrophobicContact CG-CE2 4.12Å; P767-F983 HydrophobicContact CG-CZ 3.8Å; P767-I1071 HydrophobicContact CB-CD1 3.95Å; P767-I1071 HydrophobicContact CG-CD1 3.87Å |
| 768 | I | 71.7 | Confident | 64.4 | Low | 69 Ų | 69 | 56 Ų | 56 | 35% | 0.354 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 123.2 | -179.1 | -59.4 | 176.5 | 0 | 0 | 0 | 108.8 | I974 P976 | I768-I974 HydrophobicContact CB-CB 4.4Å; I768-I974 PolarHBondContact N-O 2.89Å; I768-I974 PolarHBondContact O-N 3.17Å; I768-P976 HydrophobicContact CD1-CB 3.97Å; I768-P976 HydrophobicContact CD1-CG 3.92Å; I768-P976 HydrophobicContact CG1-CG 4.18Å |
| 769 | I | 74.6 | Confident | 65.4 | Low | 28 Ų | 28 | 49.2 Ų | 49.2 | 14% | 0.144 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 122.6 | 176.2 | -60.7 | 172.3 | 0 | 0 | 0 | 109.7 | P767 L771 F774 I971 L973 I1195 F1197 | P767-I769 PolarHBondContact O-N 3Å; I769-L771 HydrophobicContact CG2-CD2 3.89Å; I769-L771 HydrophobicContact CG2-CG 4.35Å; I769-L771 PolarHBondContact O-N 2.82Å; I769-F774 HydrophobicContact CG2-CD2 4.5Å; I769-I971 HydrophobicContact CG1-CG2 4.36Å; I769-I971 HydrophobicContact CG2-CG2 3.81Å; I769-L973 HydrophobicContact CG1-CD2 3.77Å; I769-I1195 HydrophobicContact CD1-CB 4.45Å; I769-I1195 HydrophobicContact CD1-CG2 3.56Å; I769-I1195 HydrophobicContact CG1-CG2 4.45Å; I769-F1197 HydrophobicContact CD1-CD1 3.86Å; I769-F1197 HydrophobicContact CD1-CE1 3.66Å |
| 770 | D | 71.9 | Confident | 66.1 | Low | 30 Ų | 30 | 48.9 Ų | 48.9 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | trans | -81.6 | 93.8 | 167.8 | 177.4 | 14.5 | 0 | 0 | 0 | 110.8 | H772 N773 F774 T972 I974 | D770-H772 PolarHBondContact O-N 3.44Å; D770-H772 VanDerWaalsContact OD1-CB 3.29Å; D770-H772 WeakPolarHBondContact OD1-CB 3.42Å; D770-H772 IonicContact OD1-CD2 3.21Å; D770-H772 IonicContact OD1-CG 3.08Å; D770-H772 PolarHBondContact OD1-N 2.87Å; D770-N773 PolarHBondContact O-N 3.2Å; D770-N773 WeakPolarHBondContact OD2-CB 3.38Å; D770-N773 PolarHBondContact OD2-ND2 3.36Å; D770-F774 PolarHBondContact O-N 3.17Å; D770-T972 HydrophobicContact CB-CG2 4.06Å; D770-T972 PolarHBondContact N-O 3.36Å; D770-I974 HydrophobicContact CB-CD1 4.1Å; D770-I974 HydrophobicContact CB-CG1 4.5Å | ||
| 771 | L | 69.1 | Low | 66.2 | Low | 76 Ų | 76 | 45.1 Ų | 45.1 | 40% | 0.398 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.4 | 176.9 | -65.7 | 176.7 | 0 | 0 | 0 | 113.8 | I769 P951 I1211 | I769-L771 HydrophobicContact CG2-CD2 3.89Å; I769-L771 HydrophobicContact CG2-CG 4.35Å; I769-L771 PolarHBondContact O-N 2.82Å; L771-P951 WeakPolarHBondContact O-CG 3.25Å; L771-I1211 HydrophobicContact CD1-CD1 4.01Å |
| 772 | H | 65.8 | Low | 66.1 | Low | 159 Ų | 159 | 42.5 Ų | 42.5 | 74% | 0.736 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -27.8 | 176.4 | -62 | -68 | 0 | 0 | 0 | 112.6 | D770 | D770-H772 PolarHBondContact O-N 3.44Å; D770-H772 VanDerWaalsContact OD1-CB 3.29Å; D770-H772 WeakPolarHBondContact OD1-CB 3.42Å; D770-H772 IonicContact OD1-CD2 3.21Å; D770-H772 IonicContact OD1-CG 3.08Å; D770-H772 PolarHBondContact OD1-N 2.87Å |
| 773 | N | 66.6 | Low | 65.5 | Low | 62 Ų | 62 | 48.6 Ų | 48.6 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -104.9 | 4.1 | -179.4 | -79 | -56.4 | 0 | 0 | 0 | 114.5 | D770 K775 T972 | D770-N773 PolarHBondContact O-N 3.2Å; D770-N773 WeakPolarHBondContact OD2-CB 3.38Å; D770-N773 PolarHBondContact OD2-ND2 3.36Å; N773-K775 PolarHBondContact O-N 3.39Å; N773-T972 WeakPolarHBondContact CB-OG1 3.37Å |
| 774 | F | 70.9 | Confident | 64.2 | Low | 9 Ų | 9 | 53.8 Ų | 53.8 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | trans | -62.2 | 122.5 | 174.5 | -168.1 | -79.9 | 0 | 0 | 0 | 111.8 | I769 D770 I776 Y949 P951 V969 I971 F1197 L1215 | I769-F774 HydrophobicContact CG2-CD2 4.5Å; D770-F774 PolarHBondContact O-N 3.17Å; F774-I776 HydrophobicContact CD1-CG1 4.44Å; F774-I776 HydrophobicContact CE1-CD1 3.92Å; F774-I776 HydrophobicContact CE1-CG1 3.81Å; F774-Y949 HydrophobicContact CD1-CD1 4.16Å; F774-Y949 AromaticContact CD1-CE1 3.91Å; F774-Y949 HydrophobicContact CD1-CE1 3.91Å; F774-Y949 HydrophobicContact CE1-CD1 4.46Å; F774-Y949 HydrophobicContact CE1-CE1 4.43Å; F774-P951 WeakPolarHBondContact O-CD 3.48Å; F774-V969 HydrophobicContact CE1-CG1 4.24Å; F774-V969 HydrophobicContact CE2-CG1 4.26Å; F774-V969 HydrophobicContact CZ-CG1 3.75Å; F774-I971 HydrophobicContact CD2-CG1 4.13Å; F774-I971 HydrophobicContact CD2-CG2 4.16Å; F774-I971 HydrophobicContact CE2-CD1 4.16Å; F774-I971 HydrophobicContact CE2-CG1 3.81Å; F774-I971 HydrophobicContact CE2-CG2 4.36Å; F774-F1197 HydrophobicContact CE2-CD2 4.42Å; F774-F1197 HydrophobicContact CE2-CE1 4.29Å; F774-F1197 HydrophobicContact CE2-CE2 4.08Å; F774-F1197 HydrophobicContact CE2-CZ 4.02Å; F774-F1197 HydrophobicContact CZ-CD2 4.28Å; F774-F1197 HydrophobicContact CZ-CE2 4.02Å; F774-F1197 HydrophobicContact CZ-CZ 4.4Å; F774-L1215 HydrophobicContact CZ-CD2 4.39Å | ||
| 775 | K | 70.7 | Confident | 62.8 | Low | 35 Ų | 35 | 57.2 Ų | 57.2 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.5 | -179.2 | -60.2 | -179.2 | -175.9 | -179.4 | 0 | 110.9 | N773 D800 I947 T950 R970 | N773-K775 PolarHBondContact O-N 3.39Å; K775-D800 IonicContact NZ-OD1 2.7Å; K775-D800 PolarHBondContact NZ-OD1 2.98Å; K775-D800 IonicContact NZ-OD2 3.45Å; K775-D800 PolarHBondContact NZ-OD2 3.3Å; K775-I947 HydrophobicContact CB-CG2 4.24Å; K775-I947 HydrophobicContact CD-CD1 4.41Å; K775-T950 HydrophobicContact CG-CG2 4.31Å; K775-R970 HydrophobicContact CB-CB 4.41Å; K775-R970 PolarHBondContact N-O 3.18Å; K775-R970 PolarHBondContact O-N 2.75Å |
| 776 | I | 71.2 | Confident | 61.1 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.8 | 167.1 | -56.1 | 171 | 0 | 0 | 0 | 110.2 | F774 I947 I948 Y949 L967 T968 V969 W1217 | F774-I776 HydrophobicContact CD1-CG1 4.44Å; F774-I776 HydrophobicContact CE1-CD1 3.92Å; F774-I776 HydrophobicContact CE1-CG1 3.81Å; I776-I947 CarbonylContact O-C 3.54Å; I776-I948 PolarHBondContact O-N 2.99Å; I776-Y949 HydrophobicContact CD1-CD1 4.2Å; I776-Y949 HydrophobicContact CG1-CD1 4.33Å; I776-Y949 PolarHBondContact N-O 3.35Å; I776-Y949 PolarHBondContact O-N 3.48Å; I776-L967 HydrophobicContact CG2-CD1 3.68Å; I776-L967 HydrophobicContact CG2-CG 4.33Å; I776-T968 CarbonylContact C-O 3.41Å; I776-T968 WeakPolarHBondContact CA-O 3.21Å; I776-V969 HydrophobicContact CG1-CG1 4.45Å; I776-W1217 HydrophobicContact CB-CH2 4.2Å; I776-W1217 HydrophobicContact CB-CZ2 4.07Å; I776-W1217 HydrophobicContact CD1-CZ2 3.61Å; I776-W1217 HydrophobicContact CG1-CZ2 4.44Å; I776-W1217 HydrophobicContact CG2-CH2 3.69Å; I776-W1217 HydrophobicContact CG2-CZ2 3.7Å; I776-W1217 HydrophobicContact CG2-CZ3 4.39Å |
| 777 | I | 71.7 | Confident | 59.2 | Low | 10 Ų | 10 | 69.7 Ų | 69.7 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 164.2 | -167.9 | -53.3 | 176.6 | 0 | 0 | 0 | 108.5 | V803 K946 I947 T968 | I777-V803 HydrophobicContact CD1-CG2 4.03Å; I777-V803 HydrophobicContact CG2-CB 4.32Å; I777-V803 HydrophobicContact CG2-CG1 3.92Å; I777-V803 HydrophobicContact CG2-CG2 4.35Å; I777-K946 WeakPolarHBondContact CA-O 3.36Å; I777-K946 WeakPolarHBondContact CG2-O 3.48Å; I777-I947 HydrophobicContact CG1-CG1 4.38Å; I777-T968 PolarHBondContact N-O 3.41Å; I777-T968 WeakPolarHBondContact O-CA 3.24Å; I777-T968 PolarHBondContact O-N 3.32Å |
| 778 | I | 65 | Low | 57.2 | Low | 15 Ų | 15 | 76.4 Ų | 76.4 | 8% | 0.077 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.6 | 164.6 | -73.3 | 177.7 | 0 | 0 | 0 | 110.2 | A805 F942 I948 F961 E965 H966 L967 | I778-A805 WeakPolarHBondContact O-CA 3.5Å; I778-A805 WeakPolarHBondContact O-CB 3.5Å; I778-F942 HydrophobicContact CD1-CE1 4.49Å; I778-F942 HydrophobicContact CD1-CZ 3.85Å; I778-I948 HydrophobicContact CB-CD1 4.5Å; I778-I948 HydrophobicContact CD1-CD1 3.37Å; I778-I948 HydrophobicContact CG1-CD1 3.63Å; I778-F961 HydrophobicContact CD1-CB 3.62Å; I778-F961 HydrophobicContact CG1-CB 4.42Å; I778-E965 HydrophobicContact CG2-CB 4.22Å; I778-H966 CarbonylContact C-O 3.45Å; I778-H966 WeakPolarHBondContact CA-O 3.29Å; I778-L967 HydrophobicContact CG1-CD1 4.32Å |
| 779 | G | 63.8 | Low | 55.2 | Low | 11 Ų | 11 | 76.4 Ų | 76.4 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 121.5 | 156.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | V803 H966 T968 | G779-V803 WeakPolarHBondContact O-CG1 3.07Å; G779-H966 PolarHBondContact N-O 2.7Å; G779-T968 WeakPolarHBondContact O-CB 3.28Å; G779-T968 PolarHBondContact O-OG1 2.86Å |
| 780 | K | 60.4 | Low | 53.2 | Low | 100 Ų | 100 | 81.3 Ų | 81.3 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 146.8 | 175.9 | -73.8 | -168.7 | 173.3 | -170.5 | 0 | 111.9 | V803 E804 H966 | K780-V803 WeakPolarHBondContact O-CG1 3.28Å; K780-E804 WeakPolarHBondContact O-CA 3.2Å; K780-E804 VanDerWaalsContact O-CB 3.24Å; K780-E804 WeakPolarHBondContact O-CB 3.08Å; K780-E804 PolarHBondContact O-N 3.02Å; K780-H966 WeakPolarHBondContact CE-CE1 3.23Å; K780-H966 WeakPolarHBondContact CE-NE2 3.33Å; K780-H966 HydrophobicContact CG-CB 4.49Å |
| 781 | P | 53.2 | Low | 51.1 | Low | 44 Ų | 44 | 87.2 Ų | 87.2 | 29% | 0.286 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -64.8 | 145.2 | 163 | 26.1 | -30.6 | 0 | 0 | 0 | 111.8 | ||
| 782 | S | 48.2 | Very low | 49.1 | Very low | 28 Ų | 28 | 93.5 Ų | 93.5 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 116.1 | 170.8 | -67.7 | 0 | 0 | 0 | 0 | 110.4 | R784 F802 E804 | S782-R784 VanDerWaalsContact C-N 3.3Å; S782-R784 PolarHBondContact O-N 3.16Å; S782-F802 PolarHBondContact N-O 2.74Å; S782-F802 VanDerWaalsContact N-O 3.07Å; S782-E804 WeakPolarHBondContact OG-CB 3.48Å; S782-E804 VanDerWaalsContact OG-CD 3.22Å; S782-E804 WeakPolarHBondContact OG-CG 3.28Å; S782-E804 PolarHBondContact OG-OE1 2.69Å |
| 783 | Q | 43.4 | Very low | 47.3 | Very low | 169 Ų | 169 | 94 Ų | 94 | 79% | 0.79 | 46% | 0.459 | S | S | * | . | trans | -73.4 | -17.7 | -178.8 | -69.1 | 175.2 | -23.4 | 0 | 0 | 114.2 | H785 | Q783-H785 VanDerWaalsContact C-N 3.27Å; Q783-H785 PolarHBondContact O-N 2.75Å | ||
| 784 | R | 34.3 | Very low | 45.4 | Very low | 217 Ų | 217 | 96.4 Ų | 96.4 | 82% | 0.819 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 3.8 | -155 | -132.5 | 177.7 | -167.7 | 167 | 4.1 | 117.9 | S782 | S782-R784 VanDerWaalsContact C-N 3.3Å; S782-R784 PolarHBondContact O-N 3.16Å |
| 785 | H | 34.4 | Very low | 43.3 | Very low | 81 Ų | 81 | 100 Ų | 100 | 38% | 0.375 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | 7 | -177.1 | -77.9 | -65.8 | 0 | 0 | 0 | 115.7 | Q783 Q787 | Q783-H785 VanDerWaalsContact C-N 3.27Å; Q783-H785 PolarHBondContact O-N 2.75Å; H785-Q787 VanDerWaalsContact C-N 3.35Å; H785-Q787 PolarHBondContact O-N 3.1Å |
| 786 | Q | 31.9 | Very low | 41.2 | Very low | 141 Ų | 141 | 105.2 Ų | 105.2 | 66% | 0.659 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.3 | -39.8 | 175.2 | -73.3 | -177.9 | -67 | 0 | 0 | 112.2 | Q788 A789 | Q786-Q788 PolarHBondContact O-N 3.14Å; Q786-A789 PolarHBondContact O-N 3.36Å |
| 787 | Q | 31 | Very low | 39.3 | Very low | 173 Ų | 173 | 110.4 Ų | 110.4 | 81% | 0.808 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.5 | -5.5 | -178.1 | -70.5 | 179.5 | -28.5 | 0 | 0 | 116.5 | H785 | H785-Q787 VanDerWaalsContact C-N 3.35Å; H785-Q787 PolarHBondContact O-N 3.1Å |
| 788 | Q | 30.5 | Very low | 37.1 | Very low | 148 Ų | 148 | 116.8 Ų | 116.8 | 69% | 0.692 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -115.6 | -7.2 | 178.5 | -74.2 | -178.4 | -24.5 | 0 | 0 | 113.8 | Q786 | Q786-Q788 PolarHBondContact O-N 3.14Å |
| 789 | A | 31.2 | Very low | 35.5 | Very low | 68 Ų | 68 | 119.6 Ų | 119.6 | 56% | 0.562 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75 | -26.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q786 N791 | Q786-A789 PolarHBondContact O-N 3.36Å; A789-N791 VanDerWaalsContact C-N 3.28Å; A789-N791 PolarHBondContact O-N 3.46Å |
| 790 | D | 31.1 | Very low | 33.9 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -7.8 | -169.9 | -61.3 | -54 | 0 | 0 | 0 | 114.9 | ||
| 791 | N | 29.1 | Very low | 32.6 | Very low | 153 Ų | 153 | 121.8 Ų | 121.8 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 7.6 | -177.3 | -97.2 | -44.9 | 0 | 0 | 0 | 115.3 | A789 | A789-N791 VanDerWaalsContact C-N 3.28Å; A789-N791 PolarHBondContact O-N 3.46Å |
| 792 | Y | 27.5 | Very low | 31.7 | Very low | 208 Ų | 208 | 122.9 Ų | 122.9 | 82% | 0.816 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -124.9 | 143.7 | 173.6 | -101 | -96 | 0 | 0 | 0 | 113.1 | ||
| 793 | N | 27.3 | Very low | 31 | Very low | 169 Ų | 169 | 122.7 Ų | 122.7 | 90% | 0.904 | 62% | 0.618 | S | S | * | * | trans | -71.2 | 140.1 | -165.4 | -81.1 | -64.5 | 0 | 0 | 0 | 113.9 | A795 | N793-A795 PolarHBondContact O-N 2.88Š| ||
| 794 | Q | 26.7 | Very low | 30.7 | Very low | 114 Ų | 114 | 117.3 Ų | 117.3 | 53% | 0.533 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -82.8 | 113.5 | -169.6 | -66.4 | 161.7 | -18.1 | 0 | 0 | 112.2 | K1078 | Q794-K1078 VanDerWaalsContact OE1-CE 3.27Š|
| 795 | A | 27.2 | Very low | 30.8 | Very low | 85 Ų | 85 | 107.1 Ų | 107.1 | 70% | 0.702 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -145.7 | -61.7 | 165 | 0 | 0 | 0 | 0 | 0 | 112.2 | N793 L797 | N793-A795 PolarHBondContact O-N 2.88Å; A795-L797 VanDerWaalsContact C-N 3.35Å; A795-L797 PolarHBondContact O-N 3.13Å; A795-L797 VanDerWaalsContact O-N 3.13Å |
| 796 | N | 26.7 | Very low | 31 | Very low | 143 Ų | 143 | 106.4 Ų | 106.4 | 77% | 0.765 | 55% | 0.549 | S | S | * | . | trans | -92.7 | 51.6 | -170.1 | -66.3 | 0.6 | 0 | 0 | 0 | 113.3 | H798 | N796-H798 PolarHBondContact O-N 3.43Š| ||
| 797 | L | 29.8 | Very low | 31.4 | Very low | 110 Ų | 110 | 99.8 Ų | 99.8 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 64.5 | -178.5 | -166.8 | 73.7 | 0 | 0 | 0 | 112.4 | A795 L1080 | A795-L797 VanDerWaalsContact C-N 3.35Å; A795-L797 PolarHBondContact O-N 3.13Å; A795-L797 VanDerWaalsContact O-N 3.13Å; L797-L1080 HydrophobicContact CD2-CD2 4.33Å |
| 798 | H | 26.1 | Very low | 31.5 | Very low | 143 Ų | 143 | 91.8 Ų | 91.8 | 66% | 0.662 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | 1.1 | 173.4 | -121 | -65.8 | 0 | 0 | 0 | 115.2 | N796 | N796-H798 PolarHBondContact O-N 3.43Š|
| 799 | S | 30.8 | Very low | 31.3 | Very low | 75 Ų | 75 | 87.4 Ų | 87.4 | 52% | 0.524 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -61.8 | 134.4 | 171.2 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | L801 | S799-L801 PolarHBondContact O-N 3.02Å; S799-L801 VanDerWaalsContact O-N 3.15Å |
| 800 | D | 30.8 | Very low | 31.2 | Very low | 80 Ų | 80 | 86.6 Ų | 86.6 | 43% | 0.428 | 45% | 0.446 | S | S | . | . | trans | -80.3 | 98.5 | -174.3 | -107.3 | -24.2 | 0 | 0 | 0 | 111.1 | K775 R970 | K775-D800 IonicContact NZ-OD1 2.7Å; K775-D800 PolarHBondContact NZ-OD1 2.98Å; K775-D800 IonicContact NZ-OD2 3.45Å; K775-D800 PolarHBondContact NZ-OD2 3.3Å; D800-R970 IonicContact OD1-CZ 3.59Å; D800-R970 IonicContact OD1-NH1 3.7Å; D800-R970 PolarHBondContact OD1-NH1 2.79Å; D800-R970 IonicContact OD1-NH2 2.67Å | ||
| 801 | L | 34 | Very low | 30.9 | Very low | 76 Ų | 76 | 84.3 Ų | 84.3 | 40% | 0.398 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 149.6 | 179.9 | -96.7 | 89.3 | 0 | 0 | 0 | 114.1 | S799 V803 | S799-L801 PolarHBondContact O-N 3.02Å; S799-L801 VanDerWaalsContact O-N 3.15Å; L801-V803 PolarHBondContact O-N 2.97Å |
| 802 | F | 33.2 | Very low | 30.8 | Very low | 67 Ų | 67 | 82 Ų | 82 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -75 | 117.8 | -159.3 | -50 | -62.7 | 0 | 0 | 0 | 114 | S782 F810 | S782-F802 PolarHBondContact N-O 2.74Å; S782-F802 VanDerWaalsContact N-O 3.07Å; F802-F810 HydrophobicContact CD1-CB 3.72Å; F802-F810 WeakPolarHBondContact CD1-O 3.4Å; F802-F810 HydrophobicContact CE1-CB 3.8Å; F802-F810 WeakPolarHBondContact CE1-O 3.43Å; F802-F810 WeakPolarHBondContact CG-O 3.28Å |
| 803 | V | 33.3 | Very low | 30.7 | Very low | 24 Ų | 24 | 78.2 Ų | 78.2 | 15% | 0.145 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -95.3 | 130.8 | 166.8 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | I777 G779 K780 L801 A805 | I777-V803 HydrophobicContact CD1-CG2 4.03Å; I777-V803 HydrophobicContact CG2-CB 4.32Å; I777-V803 HydrophobicContact CG2-CG1 3.92Å; I777-V803 HydrophobicContact CG2-CG2 4.35Å; G779-V803 WeakPolarHBondContact O-CG1 3.07Å; K780-V803 WeakPolarHBondContact O-CG1 3.28Å; L801-V803 PolarHBondContact O-N 2.97Å; V803-A805 HydrophobicContact CB-CB 4.43Å; V803-A805 HydrophobicContact CG1-CB 4.07Å; V803-A805 PolarHBondContact O-N 2.78Å |
| 804 | E | 37.6 | Very low | 30.7 | Very low | 56 Ų | 56 | 76.8 Ų | 76.8 | 26% | 0.262 | 41% | 0.414 | S | S | . | . | trans | -72.4 | 31.6 | 177.5 | -130.9 | 165.5 | -112.1 | 0 | 0 | 112.9 | K780 S782 R1227 | K780-E804 WeakPolarHBondContact O-CA 3.2Å; K780-E804 VanDerWaalsContact O-CB 3.24Å; K780-E804 WeakPolarHBondContact O-CB 3.08Å; K780-E804 PolarHBondContact O-N 3.02Å; S782-E804 WeakPolarHBondContact OG-CB 3.48Å; S782-E804 VanDerWaalsContact OG-CD 3.22Å; S782-E804 WeakPolarHBondContact OG-CG 3.28Å; S782-E804 PolarHBondContact OG-OE1 2.69Å; E804-R1227 IonicContact OE1-NH1 2.88Å; E804-R1227 IonicContact OE2-CZ 3.82Å; E804-R1227 IonicContact OE2-NH1 3.56Å; E804-R1227 PolarHBondContact OE2-NH1 2.81Å; E804-R1227 IonicContact OE2-NH2 3.36Å; E804-R1227 PolarHBondContact OE2-NH2 2.88Å | ||
| 805 | A | 36.1 | Very low | 30.7 | Very low | 4 Ų | 4 | 79.3 Ų | 79.3 | 3% | 0.033 | 43% | 0.426 | C | S | . | . | trans | -64.1 | 141.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I778 V803 G807 K946 | I778-A805 WeakPolarHBondContact O-CA 3.5Å; I778-A805 WeakPolarHBondContact O-CB 3.5Å; V803-A805 HydrophobicContact CB-CB 4.43Å; V803-A805 HydrophobicContact CG1-CB 4.07Å; V803-A805 PolarHBondContact O-N 2.78Å; A805-G807 PolarHBondContact O-N 3.44Å; A805-K946 HydrophobicContact CB-CD 4.03Å; A805-K946 PolarHBondContact O-NZ 3.27Å | ||
| 806 | R | 39.9 | Very low | 30.5 | Very low | 65 Ų | 65 | 81.1 Ų | 81.1 | 25% | 0.245 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -24.9 | 113.1 | -173.4 | -66.3 | -146.2 | -171 | 114.3 | -5.2 | 114.8 | K946 E965 S1225 R1440 | R806-K946 WeakPolarHBondContact O-CE 3.42Å; R806-K946 PolarHBondContact O-NZ 2.95Å; R806-E965 IonicContact CZ-OE1 3.19Å; R806-E965 IonicContact CZ-OE2 2.76Å; R806-E965 IonicContact NE-OE1 3.01Å; R806-E965 PolarHBondContact NE-OE1 3.4Å; R806-E965 IonicContact NE-OE2 2.62Å; R806-E965 IonicContact NH1-OE2 2.7Å; R806-E965 IonicContact NH2-OE1 2.69Å; R806-E965 PolarHBondContact NH2-OE1 2.91Å; R806-E965 IonicContact NH2-OE2 3.27Å; R806-E965 PolarHBondContact NH2-OE2 2.9Å; R806-S1225 WeakPolarHBondContact CD-OG 3.16Å; R806-S1225 WeakPolarHBondContact CG-OG 3.47Å; R806-S1225 PolarHBondContact NE-OG 3.08Å; R806-R1440 VanDerWaalsContact CZ-NH1 3.31Å |
| 807 | G | 39.2 | Very low | 30.3 | Very low | 3 Ų | 3 | 82.9 Ų | 82.9 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | S | Bend | trans | 76.4 | 124.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A805 K946 L1226 | A805-G807 PolarHBondContact O-N 3.44Å; G807-K946 PolarHBondContact O-NZ 3.02Å; G807-L1226 WeakPolarHBondContact CA-O 3.13Å; G807-L1226 PolarHBondContact N-O 2.97Å |
| 808 | V | 32.6 | Very low | 29.9 | Very low | 4 Ų | 4 | 84.3 Ų | 84.3 | 2% | 0.024 | 43% | 0.434 | C | S | . | . | trans | 70 | 119.2 | 176.4 | -169.4 | 0 | 0 | 0 | 0 | 114 | F810 V1228 H1444 | V808-F810 HydrophobicContact CB-CD2 4.24Å; V808-F810 HydrophobicContact CB-CE1 4.35Å; V808-F810 HydrophobicContact CB-CE2 3.59Å; V808-F810 HydrophobicContact CB-CZ 3.65Å; V808-F810 HydrophobicContact CG1-CD1 4.07Å; V808-F810 HydrophobicContact CG1-CD2 3.94Å; V808-F810 HydrophobicContact CG1-CE1 3.86Å; V808-F810 HydrophobicContact CG1-CE2 3.7Å; V808-F810 HydrophobicContact CG1-CG 4.1Å; V808-F810 HydrophobicContact CG1-CZ 3.66Å; V808-F810 VanDerWaalsContact O-CD2 3.24Å; V808-F810 WeakPolarHBondContact O-CD2 3.44Å; V808-F810 WeakPolarHBondContact O-CE2 3.44Å; V808-V1228 CarbonylContact C-O 3.54Å; V808-V1228 WeakPolarHBondContact CA-O 3.49Å; V808-V1228 HydrophobicContact CG2-CB 4.22Å; V808-V1228 PolarHBondContact N-O 2.93Å; V808-H1444 HydrophobicContact CG2-CB 4Å | ||
| 809 | Q | 26.9 | Very low | 29.8 | Very low | 57 Ų | 57 | 82.9 Ų | 82.9 | 27% | 0.266 | 44% | 0.435 | S | S | . | . | trans | -81.7 | 130.7 | 154.3 | 175.6 | 180 | -20.7 | 0 | 0 | 107.6 | V1228 F1229 | Q809-V1228 PolarHBondContact N-O 3.44Å; Q809-F1229 HydrophobicContact CB-CD2 4.11Å; Q809-F1229 HydrophobicContact CG-CD2 4.31Å; Q809-F1229 VanDerWaalsContact OE1-CD2 3.22Å | ||
| 810 | F | 28.7 | Very low | 29.4 | Very low | 51 Ų | 51 | 86 Ų | 86 | 22% | 0.224 | 45% | 0.446 | C | S | . | . | trans | -108.5 | 159.8 | -176.4 | -60.5 | -103.5 | 0 | 0 | 0 | 110 | F802 V808 | F802-F810 HydrophobicContact CD1-CB 3.72Å; F802-F810 WeakPolarHBondContact CD1-O 3.4Å; F802-F810 HydrophobicContact CE1-CB 3.8Å; F802-F810 WeakPolarHBondContact CE1-O 3.43Å; F802-F810 WeakPolarHBondContact CG-O 3.28Å; V808-F810 HydrophobicContact CB-CD2 4.24Å; V808-F810 HydrophobicContact CB-CE1 4.35Å; V808-F810 HydrophobicContact CB-CE2 3.59Å; V808-F810 HydrophobicContact CB-CZ 3.65Å; V808-F810 HydrophobicContact CG1-CD1 4.07Å; V808-F810 HydrophobicContact CG1-CD2 3.94Å; V808-F810 HydrophobicContact CG1-CE1 3.86Å; V808-F810 HydrophobicContact CG1-CE2 3.7Å; V808-F810 HydrophobicContact CG1-CG 4.1Å; V808-F810 HydrophobicContact CG1-CZ 3.66Å; V808-F810 VanDerWaalsContact O-CD2 3.24Å; V808-F810 WeakPolarHBondContact O-CD2 3.44Å; V808-F810 WeakPolarHBondContact O-CE2 3.44Å | ||
| 811 | S | 25.5 | Very low | 28.9 | Very low | 84 Ų | 84 | 87.8 Ų | 87.8 | 59% | 0.587 | 45% | 0.452 | S | S | * | . | trans | -159.1 | 55.6 | 176.8 | 61.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 812 | D | 26.5 | Very low | 28.7 | Very low | 104 Ų | 104 | 92.1 Ų | 92.1 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | trans | -96 | 109.8 | -163.7 | -51.7 | -7.1 | 0 | 0 | 0 | 109.2 | ||||
| 813 | T | 25.2 | Very low | 28.2 | Very low | 129 Ų | 129 | 97.2 Ų | 97.2 | 79% | 0.791 | 50% | 0.504 | S | S | * | . | trans | -110.1 | 79 | -177.1 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 814 | E | 27.1 | Very low | 27.7 | Very low | 138 Ų | 138 | 99.4 Ų | 99.4 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | trans | -161.8 | 130.4 | 172.8 | -103.8 | 147.4 | -138.4 | 0 | 0 | 109.7 | ||||
| 815 | E | 26.6 | Very low | 27.1 | Very low | 168 Ų | 168 | 104.3 Ų | 104.3 | 79% | 0.785 | 56% | 0.559 | S | S | * | * | trans | -141.6 | 135.8 | 157.9 | -81.9 | -161.9 | 149 | 0 | 0 | 107.9 | ||||
| 816 | D | 23.9 | Very low | 26.4 | Very low | 122 Ų | 122 | 112.2 Ų | 112.2 | 65% | 0.652 | 60% | 0.595 | S | S | * | * | trans | -78.3 | 128.1 | -168.6 | -49.5 | -94.4 | 0 | 0 | 0 | 114.1 | I818 | D816-I818 HydrophobicContact CB-CG1 4.36Å; D816-I818 PolarHBondContact O-N 3.11Å | ||
| 817 | E | 22.5 | Very low | 25.6 | Very low | 180 Ų | 180 | 115.3 Ų | 115.3 | 84% | 0.841 | 62% | 0.616 | S | S | * | * | trans | -79.4 | 93.1 | 159.3 | -78.2 | -162.8 | 144.4 | 0 | 0 | 110.6 | V819 | E817-V819 VanDerWaalsContact C-N 3.32Å; E817-V819 PolarHBondContact O-N 2.86Å; E817-V819 VanDerWaalsContact O-N 3.07Å | ||
| 818 | I | 21 | Very low | 25.8 | Very low | 140 Ų | 140 | 121 Ų | 121 | 72% | 0.718 | 65% | 0.653 | S | S | * | * | trans | -78.7 | 85.3 | 165.1 | -55.2 | 178.4 | 0 | 0 | 0 | 108.8 | D816 | D816-I818 HydrophobicContact CB-CG1 4.36Å; D816-I818 PolarHBondContact O-N 3.11Å | ||
| 819 | V | 23.7 | Very low | 25.4 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 126.9 | 157.2 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | E817 | E817-V819 VanDerWaalsContact C-N 3.32Å; E817-V819 PolarHBondContact O-N 2.86Å; E817-V819 VanDerWaalsContact O-N 3.07Å |
| 820 | N | 22.9 | Very low | 25.1 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 131.5 | 177.3 | -58.5 | -82.4 | 0 | 0 | 0 | 109.3 | ||
| 821 | E | 21.3 | Very low | 24.8 | Very low | 119 Ų | 119 | 130 Ų | 130 | 56% | 0.556 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 144.1 | 173.3 | -65 | 176 | 150.6 | 0 | 0 | 110.7 | L1407 | E821-L1407 WeakPolarHBondContact OE1-CD1 3.34Å; E821-L1407 WeakPolarHBondContact OE1-CG 3.36Å |
| 822 | D | 29.6 | Very low | 24.5 | Very low | 167 Ų | 167 | 132 Ų | 132 | 89% | 0.893 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 154.1 | 179.4 | -68 | -66.7 | 0 | 0 | 0 | 112.9 | ||
| 823 | I | 23.2 | Very low | 24.2 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | trans | -134.3 | 122.5 | 169.8 | -60.1 | 178.5 | 0 | 0 | 0 | 109.5 | ||||
| 824 | G | 22.7 | Very low | 24 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | 120.1 | 83.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 825 | D | 23.4 | Very low | 23.8 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 85% | 0.85 | 71% | 0.714 | S | S | * | * | trans | -58.4 | 146.2 | 150.6 | -58.1 | -85.7 | 0 | 0 | 0 | 110.8 | ||||
| 826 | E | 21.2 | Very low | 23.5 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | 175.7 | 133.9 | 105.1 | -93.6 | -166.7 | 155.3 | 0 | 0 | 113.9 | |||||
| 827 | L | 23.3 | Very low | 23.2 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 69% | 0.686 | 72% | 0.72 | S | S | * | * | trans | 51.6 | 125.4 | 143.3 | -65 | 166.3 | 0 | 0 | 0 | 121.8 | ||||
| 828 | P | 44.9 | Very low | 23.2 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 147.6 | 176.9 | 37 | -33.8 | 0 | 0 | 0 | 114.2 | ||
| 829 | P | 23.2 | Very low | 23.2 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 134.7 | 155.7 | 33.9 | -27.8 | 0 | 0 | 0 | 111.6 | ||
| 830 | S | 21.4 | Very low | 23.1 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -67 | 143.7 | 179.4 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 831 | S | 22.2 | Very low | 23.2 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 46% | 0.462 | 71% | 0.711 | S | S | . | * | trans | 41.1 | 103 | 152.8 | -65 | 0 | 0 | 0 | 0 | 118.4 | N1732 N1733 | S831-N1732 WeakPolarHBondContact CB-OD1 3.37Å; S831-N1732 PolarHBondContact O-OD1 3.41Å; S831-N1733 WeakPolarHBondContact CB-OD1 3.47Å; S831-N1733 PolarHBondContact OG-OD1 2.87Å | ||
| 832 | M | 18.8 | Very low | 23.3 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 61% | 0.611 | 73% | 0.727 | S | S | * | * | trans | -148.8 | 131.9 | 137.5 | -83.9 | -148.5 | -62.6 | 0 | 0 | 111.9 | Q1730 I1731 | M832-Q1730 HydrophobicContact CE-CB 4.28Å; M832-Q1730 HydrophobicContact CE-CG 4.19Å; M832-Q1730 VanDerWaalsContact SD-CA 3.59Å; M832-Q1730 HydrophobicContact SD-CB 3.96Å; M832-Q1730 HydrophobicContact SD-CG 3.41Å; M832-Q1730 WeakPolarHBondContact SD-CG 3.43Å; M832-I1731 CarbonylContact C-O 3.54Å; M832-I1731 VanDerWaalsContact C-O 3.31Å; M832-I1731 WeakPolarHBondContact CA-O 3.36Å; M832-I1731 WeakPolarHBondContact CB-O 3.29Å; M832-I1731 VanDerWaalsContact CG-O 3.26Å; M832-I1731 WeakPolarHBondContact CG-O 3.37Å | ||
| 833 | S | 20.3 | Very low | 23.1 | Very low | 60 Ų | 60 | 129.8 Ų | 129.8 | 42% | 0.42 | 73% | 0.725 | S | S | . | * | trans | -136.9 | 100.4 | 178.9 | 60.5 | 0 | 0 | 0 | 0 | 111 | I1731 N1732 N1733 | S833-I1731 CarbonylContact C-O 3.54Å; S833-I1731 PolarHBondContact N-O 2.86Å; S833-N1732 VanDerWaalsContact OG-C 3.29Å; S833-N1733 PolarHBondContact OG-N 3.23Å; S833-N1733 VanDerWaalsContact OG-N 3.12Å | ||
| 834 | Q | 20.9 | Very low | 23.3 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | -158.4 | 150.9 | 118.7 | 46 | -175.2 | -136.2 | 0 | 0 | 113.1 | I1731 | Q834-I1731 VanDerWaalsContact CD-CG2 3.47Å; Q834-I1731 HydrophobicContact CG-CB 3.68Å; Q834-I1731 HydrophobicContact CG-CG2 3.64Å | |||
| 835 | V | 22.2 | Very low | 23.4 | Very low | 113 Ų | 113 | 133 Ų | 133 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | trans | -45.1 | 129.2 | 162.8 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | E837 | V835-E837 HydrophobicContact CG1-CG 3.97Š| ||
| 836 | I | 20.1 | Very low | 23.5 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | trans | -128.8 | 145.4 | 130.5 | -65.5 | -172.6 | 0 | 0 | 0 | 106.2 | ||||
| 837 | E | 19.6 | Very low | 23.9 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -85.5 | -168.9 | -169.2 | -61 | 155 | 119.5 | 0 | 0 | 112.9 | V835 | V835-E837 HydrophobicContact CG1-CG 3.97Š| ||
| 838 | L | 20.7 | Very low | 24.3 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | trans | 84.5 | 127.6 | 174.5 | -51.3 | 169.9 | 0 | 0 | 0 | 116.4 | ||||
| 839 | E | 20.9 | Very low | 23.5 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | cis | -167.5 | 144.6 | -19.8 | -138.5 | -178.2 | -133.2 | 0 | 0 | 110.4 | ||||
| 840 | N | 22.9 | Very low | 23.8 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 61% | 0.61 | 69% | 0.688 | S | S | * | * | trans | 63.5 | 148.3 | 161.5 | -50.7 | -50.8 | 0 | 0 | 0 | 119.5 | ||||
| 841 | N | 23.5 | Very low | 24.1 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | cis | -165.2 | 85.7 | -25.6 | -103.9 | -21.7 | 0 | 0 | 0 | 109.4 | ||||
| 842 | T | 23.7 | Very low | 24.6 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 89% | 0.89 | 68% | 0.681 | S | S | * | * | trans | -149.4 | 73.1 | 167.8 | 51.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 843 | D | 26.5 | Very low | 25.2 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 86% | 0.856 | 68% | 0.677 | S | S | * | * | trans | -128.3 | 152.9 | 170.3 | -99.8 | -35.9 | 0 | 0 | 0 | 111 | ||||
| 844 | P | 27 | Very low | 25.6 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | trans | -98.9 | 127.5 | -152.5 | -1.4 | 22.6 | 0 | 0 | 0 | 113.5 | N846 | P844-N846 VanDerWaalsContact C-N 3.34Å; P844-N846 PolarHBondContact O-N 2.97Å | ||
| 845 | F | 24.9 | Very low | 26 | Very low | 206 Ų | 206 | 133.6 Ų | 133.6 | 90% | 0.904 | 68% | 0.68 | S | S | * | * | trans | 30.5 | 57.8 | 152.9 | -77.4 | -83.9 | 0 | 0 | 0 | 116.6 | N847 | F845-N847 PolarHBondContact O-N 3.34Š| ||
| 846 | N | 26.2 | Very low | 26.5 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | trans | -67.9 | 121.4 | -177.6 | -143.6 | -28.9 | 0 | 0 | 0 | 109.8 | P844 V848 | P844-N846 VanDerWaalsContact C-N 3.34Å; P844-N846 PolarHBondContact O-N 2.97Å; N846-V848 PolarHBondContact O-N 3.49Å | ||
| 847 | N | 29.3 | Very low | 26.8 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 18.9 | -150.6 | -144.2 | -13.2 | 0 | 0 | 0 | 115.5 | F845 E849 F850 | F845-N847 PolarHBondContact O-N 3.34Å; N847-E849 VanDerWaalsContact C-N 3.25Å; N847-E849 PolarHBondContact O-N 2.9Å; N847-F850 PolarHBondContact O-N 3.47Å; N847-F850 VanDerWaalsContact OD1-CB 3.23Å; N847-F850 WeakPolarHBondContact OD1-CB 3.45Å |
| 848 | V | 30.4 | Very low | 27.1 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 53% | 0.533 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.6 | -30.2 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | N846 Q851 K852 | N846-V848 PolarHBondContact O-N 3.49Å; V848-Q851 PolarHBondContact O-N 3.5Å; V848-K852 PolarHBondContact O-N 3.42Å |
| 849 | E | 29.5 | Very low | 27.5 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.3 | -30.7 | 179.3 | -165.3 | 162.5 | -118.4 | 0 | 0 | 112.7 | N847 K852 F853 | N847-E849 VanDerWaalsContact C-N 3.25Å; N847-E849 PolarHBondContact O-N 2.9Å; E849-K852 CarbonylContact O-C 3.55Å; E849-K852 PolarHBondContact O-N 2.86Å; E849-F853 HydrophobicContact CG-CD2 4.26Å; E849-F853 WeakPolarHBondContact O-CB 3.5Å; E849-F853 PolarHBondContact O-N 3.37Å |
| 850 | F | 28.6 | Very low | 28 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 63% | 0.627 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.1 | -31.4 | 174.9 | -153.4 | -91.7 | 0 | 0 | 0 | 112.5 | N847 F853 T854 | N847-F850 PolarHBondContact O-N 3.47Å; N847-F850 VanDerWaalsContact OD1-CB 3.23Å; N847-F850 WeakPolarHBondContact OD1-CB 3.45Å; F850-F853 PolarHBondContact O-N 3.44Å; F850-T854 HydrophobicContact CD1-CG2 4.41Å; F850-T854 HydrophobicContact CE1-CG2 4.24Å; F850-T854 PolarHBondContact O-N 2.99Å; F850-T854 PolarHBondContact O-OG1 3.19Å |
| 851 | Q | 27.6 | Very low | 28 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 44% | 0.444 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -73.7 | -34.5 | 169.1 | -73.5 | -150.4 | -24 | 0 | 0 | 113 | V848 T854 K855 I1921 | V848-Q851 PolarHBondContact O-N 3.5Å; Q851-T854 WeakPolarHBondContact CA-OG1 3.23Å; Q851-T854 PolarHBondContact O-OG1 3.49Å; Q851-K855 WeakPolarHBondContact O-CB 3.46Å; Q851-K855 PolarHBondContact O-N 2.85Å; Q851-I1921 VanDerWaalsContact NE2-CG1 3.3Å |
| 852 | K | 32.5 | Very low | 28.2 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.8 | -45 | 165 | -83.5 | -173.7 | 174.4 | 179.2 | 0 | 110.7 | V848 E849 T854 K855 H856 | V848-K852 PolarHBondContact O-N 3.42Å; E849-K852 CarbonylContact O-C 3.55Å; E849-K852 PolarHBondContact O-N 2.86Å; K852-T854 PolarHBondContact O-N 3.44Å; K852-K855 PolarHBondContact O-N 3.11Å; K852-H856 WeakPolarHBondContact O-CA 3.36Å; K852-H856 WeakPolarHBondContact O-CB 3.31Å; K852-H856 PolarHBondContact O-N 3.03Å |
| 853 | F | 31 | Very low | 28.4 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 53% | 0.531 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.3 | -44.1 | 178.6 | -110.1 | -84.7 | 0 | 0 | 0 | 112.9 | E849 F850 H856 Y857 | E849-F853 HydrophobicContact CG-CD2 4.26Å; E849-F853 WeakPolarHBondContact O-CB 3.5Å; E849-F853 PolarHBondContact O-N 3.37Å; F850-F853 PolarHBondContact O-N 3.44Å; F853-H856 PolarHBondContact O-N 2.79Å; F853-Y857 HydrophobicContact CD1-CD2 4.42Å; F853-Y857 HydrophobicContact CD1-CE2 4.44Å; F853-Y857 WeakPolarHBondContact O-CB 3.41Å; F853-Y857 PolarHBondContact O-N 3.4Å |
| 854 | T | 29.2 | Very low | 28.5 | Very low | 74 Ų | 74 | 118.4 Ų | 118.4 | 45% | 0.454 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.6 | -39.2 | 178.5 | 40.5 | 0 | 0 | 0 | 0 | 112.8 | F850 Q851 K852 Y857 H858 | F850-T854 HydrophobicContact CD1-CG2 4.41Å; F850-T854 HydrophobicContact CE1-CG2 4.24Å; F850-T854 PolarHBondContact O-N 2.99Å; F850-T854 PolarHBondContact O-OG1 3.19Å; Q851-T854 WeakPolarHBondContact CA-OG1 3.23Å; Q851-T854 PolarHBondContact O-OG1 3.49Å; K852-T854 PolarHBondContact O-N 3.44Å; T854-Y857 WeakPolarHBondContact O-CB 3.36Å; T854-Y857 PolarHBondContact O-N 3.36Å; T854-H858 PolarHBondContact O-N 3.28Å |
| 855 | K | 29.8 | Very low | 28.4 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 64% | 0.643 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.6 | -36.5 | 172.3 | -157.1 | 168 | -168.3 | 175.6 | 0 | 111.8 | Q851 K852 Y857 H858 N859 | Q851-K855 WeakPolarHBondContact O-CB 3.46Å; Q851-K855 PolarHBondContact O-N 2.85Å; K852-K855 PolarHBondContact O-N 3.11Å; K855-Y857 VanDerWaalsContact C-N 3.29Å; K855-Y857 PolarHBondContact O-N 3.02Å; K855-H858 PolarHBondContact O-N 2.97Å; K855-N859 WeakPolarHBondContact O-CB 3.11Å; K855-N859 PolarHBondContact O-N 2.88Å; K855-N859 PolarHBondContact O-OD1 3.12Å |
| 856 | H | 32 | Very low | 28.4 | Very low | 133 Ų | 133 | 115.2 Ų | 115.2 | 62% | 0.616 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.2 | -31.9 | 172.5 | -155.1 | -28.1 | 0 | 0 | 0 | 111.5 | K852 F853 W860 | K852-H856 WeakPolarHBondContact O-CA 3.36Å; K852-H856 WeakPolarHBondContact O-CB 3.31Å; K852-H856 PolarHBondContact O-N 3.03Å; F853-H856 PolarHBondContact O-N 2.79Å; H856-W860 WeakPolarHBondContact O-CA 3.33Å; H856-W860 WeakPolarHBondContact O-CB 3.5Å; H856-W860 PolarHBondContact O-N 2.89Å |
| 857 | Y | 27.6 | Very low | 28.5 | Very low | 135 Ų | 135 | 113.8 Ų | 113.8 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.3 | -38.8 | 171.9 | -110 | -84.3 | 0 | 0 | 0 | 113 | F853 T854 K855 W860 M861 | F853-Y857 HydrophobicContact CD1-CD2 4.42Å; F853-Y857 HydrophobicContact CD1-CE2 4.44Å; F853-Y857 WeakPolarHBondContact O-CB 3.41Å; F853-Y857 PolarHBondContact O-N 3.4Å; T854-Y857 WeakPolarHBondContact O-CB 3.36Å; T854-Y857 PolarHBondContact O-N 3.36Å; K855-Y857 VanDerWaalsContact C-N 3.29Å; K855-Y857 PolarHBondContact O-N 3.02Å; Y857-W860 HydrophobicContact CD1-CE3 4.44Å; Y857-W860 HydrophobicContact CE1-CE3 4.39Å; Y857-W860 HydrophobicContact CE1-CZ3 4.33Å; Y857-W860 PolarHBondContact O-N 3.21Å; Y857-M861 WeakPolarHBondContact O-CG 3.41Å; Y857-M861 PolarHBondContact O-N 2.74Å |
| 858 | H | 25.9 | Very low | 28.4 | Very low | 114 Ų | 114 | 113 Ų | 113 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.1 | -52.4 | 176.2 | -140.7 | 76.5 | 0 | 0 | 0 | 110.6 | T854 K855 W860 M861 E862 | T854-H858 PolarHBondContact O-N 3.28Å; K855-H858 PolarHBondContact O-N 2.97Å; H858-W860 PolarHBondContact O-N 3.45Å; H858-W860 VanDerWaalsContact O-N 3.16Å; H858-M861 PolarHBondContact O-N 3.33Å; H858-E862 PolarHBondContact O-N 2.76Å |
| 859 | N | 28.5 | Very low | 28.3 | Very low | 88 Ų | 88 | 114.4 Ų | 114.4 | 47% | 0.471 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.4 | -27 | 174 | -69.9 | 48.8 | 0 | 0 | 0 | 112.7 | K855 A863 | K855-N859 WeakPolarHBondContact O-CB 3.11Å; K855-N859 PolarHBondContact O-N 2.88Å; K855-N859 PolarHBondContact O-OD1 3.12Å; N859-A863 WeakPolarHBondContact O-CB 3.13Å; N859-A863 PolarHBondContact O-N 2.75Å |
| 860 | W | 30.8 | Very low | 28.2 | Very low | 124 Ų | 124 | 112.8 Ų | 112.8 | 47% | 0.47 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -82 | -23.1 | 175 | -174.6 | 72.6 | 0 | 0 | 0 | 113.6 | H856 Y857 H858 | H856-W860 WeakPolarHBondContact O-CA 3.33Å; H856-W860 WeakPolarHBondContact O-CB 3.5Å; H856-W860 PolarHBondContact O-N 2.89Å; Y857-W860 HydrophobicContact CD1-CE3 4.44Å; Y857-W860 HydrophobicContact CE1-CE3 4.39Å; Y857-W860 HydrophobicContact CE1-CZ3 4.33Å; Y857-W860 PolarHBondContact O-N 3.21Å; H858-W860 PolarHBondContact O-N 3.45Å; H858-W860 VanDerWaalsContact O-N 3.16Å |
| 861 | M | 24 | Very low | 28.1 | Very low | 94 Ų | 94 | 110.6 Ų | 110.6 | 46% | 0.463 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -75.9 | -44.9 | 167.5 | -73.6 | -173.1 | -61.9 | 0 | 0 | 110.8 | Y857 H858 A863 T864 | Y857-M861 WeakPolarHBondContact O-CG 3.41Å; Y857-M861 PolarHBondContact O-N 2.74Å; H858-M861 PolarHBondContact O-N 3.33Å; M861-A863 VanDerWaalsContact C-N 3.3Å; M861-A863 PolarHBondContact O-N 3.22Å; M861-T864 PolarHBondContact O-N 2.94Å; M861-T864 PolarHBondContact O-OG1 3.33Å |
| 862 | E | 26.5 | Very low | 28.1 | Very low | 122 Ų | 122 | 113.9 Ų | 113.9 | 57% | 0.57 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.7 | -39.7 | 172.6 | -68 | -179.3 | 143.1 | 0 | 0 | 111.4 | H858 T864 D865 V866 | H858-E862 PolarHBondContact O-N 2.76Å; E862-T864 PolarHBondContact O-N 3.29Å; E862-D865 PolarHBondContact O-N 3.12Å; E862-V866 PolarHBondContact O-N 3.14Å |
| 863 | A | 28.7 | Very low | 27.8 | Very low | 60 Ų | 60 | 116.5 Ų | 116.5 | 50% | 0.496 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.4 | -6.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N859 M861 | N859-A863 WeakPolarHBondContact O-CB 3.13Å; N859-A863 PolarHBondContact O-N 2.75Å; M861-A863 VanDerWaalsContact C-N 3.3Å; M861-A863 PolarHBondContact O-N 3.22Å |
| 864 | T | 28.5 | Very low | 27.5 | Very low | 90 Ų | 90 | 115.6 Ų | 115.6 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -8.5 | 169.5 | 53.3 | 0 | 0 | 0 | 0 | 114.9 | M861 E862 | M861-T864 PolarHBondContact O-N 2.94Å; M861-T864 PolarHBondContact O-OG1 3.33Å; E862-T864 PolarHBondContact O-N 3.29Å |
| 865 | D | 25.7 | Very low | 27.3 | Very low | 144 Ų | 144 | 119.7 Ų | 119.7 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 3.8 | 169.4 | -98.2 | -15.8 | 0 | 0 | 0 | 113.2 | E862 S867 | E862-D865 PolarHBondContact O-N 3.12Å; D865-S867 VanDerWaalsContact C-N 3.31Å; D865-S867 PolarHBondContact O-N 3.27Å |
| 866 | V | 25 | Very low | 27.2 | Very low | 100 Ų | 100 | 119.2 Ų | 119.2 | 61% | 0.606 | 67% | 0.667 | S | S | * | * | trans | -68.3 | 90.6 | 167.9 | -179 | 0 | 0 | 0 | 0 | 109.6 | E862 S868 | E862-V866 PolarHBondContact O-N 3.14Å; V866-S868 PolarHBondContact O-N 2.92Å | ||
| 867 | S | 26.9 | Very low | 26.7 | Very low | 116 Ų | 116 | 120 Ų | 120 | 81% | 0.811 | 68% | 0.676 | S | S | * | * | trans | -64.1 | 76.5 | 156.7 | 41.6 | 0 | 0 | 0 | 0 | 109 | D865 S869 | D865-S867 VanDerWaalsContact C-N 3.31Å; D865-S867 PolarHBondContact O-N 3.27Å; S867-S869 PolarHBondContact O-N 3.41Å | ||
| 868 | S | 28.3 | Very low | 26.5 | Very low | 99 Ų | 99 | 116.6 Ų | 116.6 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | trans | -55.1 | 110.5 | -171.3 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | V866 | V866-S868 PolarHBondContact O-N 2.92Š| ||
| 869 | S | 26.9 | Very low | 26.4 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -52.7 | 137.7 | 175.6 | 47.3 | 0 | 0 | 0 | 0 | 111.1 | S867 | S867-S869 PolarHBondContact O-N 3.41Š| ||
| 870 | S | 27.5 | Very low | 26.1 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | trans | -68 | 149.3 | -176.9 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 871 | S | 27.8 | Very low | 25.8 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | 54.3 | 108.4 | 149.9 | 60.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 872 | D | 27 | Very low | 25.7 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 88% | 0.877 | 75% | 0.747 | S | S | * | * | trans | -152.2 | 66.6 | 136.3 | -102.4 | -28.3 | 0 | 0 | 0 | 109.6 | S874 | D872-S874 PolarHBondContact O-N 3.17Š| ||
| 873 | E | 25.9 | Very low | 25.6 | Very low | 202 Ų | 202 | 127.9 Ų | 127.9 | 94% | 0.944 | 76% | 0.758 | S | S | * | * | trans | -78.9 | 93.8 | 169.8 | -74.1 | -170.2 | 159.3 | 0 | 0 | 109.6 | ||||
| 874 | S | 25.6 | Very low | 25.2 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -99.3 | 124.4 | 169.3 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | D872 V876 | D872-S874 PolarHBondContact O-N 3.17Å; S874-V876 PolarHBondContact O-N 2.58Å | ||
| 875 | L | 25 | Very low | 25 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -65.3 | 126.7 | 176.2 | -112.4 | 70.6 | 0 | 0 | 0 | 110.7 | ||||
| 876 | V | 27.2 | Very low | 24.7 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -134.6 | 114.6 | 158.3 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | S874 | S874-V876 PolarHBondContact O-N 2.58Š| ||
| 877 | D | 22.1 | Very low | 24.6 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -74.2 | 143.8 | 179.5 | -91.9 | -58.3 | 0 | 0 | 0 | 112.9 | ||||
| 878 | G | 22.7 | Very low | 24.4 | Very low | 65 Ų | 65 | 146.5 Ų | 146.5 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | 66.2 | 100.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 879 | Q | 23.6 | Very low | 24.2 | Very low | 200 Ų | 200 | 147 Ų | 147 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | -150.3 | 152.2 | 126.1 | -114.4 | 165 | 39.9 | 0 | 0 | 112.3 | |||||
| 880 | Q | 23.2 | Very low | 24 | Very low | 196 Ų | 196 | 147.6 Ų | 147.6 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -82 | 135.9 | -173 | -65 | 168.1 | -36 | 0 | 0 | 111.4 | ||||
| 881 | V | 23.7 | Very low | 23.7 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -131.1 | 133.5 | 159.7 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | T883 | V881-T883 PolarHBondContact O-N 3.22Š| ||
| 882 | D | 22.3 | Very low | 23.6 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 60% | 0.604 | 80% | 0.797 | S | S | * | * | trans | -62.8 | 121.4 | -164.8 | -118.5 | -57.5 | 0 | 0 | 0 | 113.8 | R884 | D882-R884 VanDerWaalsContact C-N 3.32Å; D882-R884 PolarHBondContact O-N 2.82Å; D882-R884 VanDerWaalsContact O-N 3.14Å; D882-R884 WeakPolarHBondContact OD1-CG 3.47Å; D882-R884 IonicContact OD1-CZ 2.69Å; D882-R884 IonicContact OD1-NE 2.67Å; D882-R884 PolarHBondContact OD1-NE 3.01Å; D882-R884 IonicContact OD1-NH2 3.09Å; D882-R884 PolarHBondContact OD1-NH2 3.36Å; D882-R884 IonicContact OD2-CZ 2.72Å; D882-R884 IonicContact OD2-NE 2.72Å; D882-R884 IonicContact OD2-NH2 2.62Å; D882-R884 PolarHBondContact OD2-NH2 3.38Å | ||
| 883 | T | 23.7 | Very low | 23.4 | Very low | 132 Ų | 132 | 155.3 Ų | 155.3 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -89.3 | 58.4 | 178.3 | 40.2 | 0 | 0 | 0 | 0 | 112.3 | V881 | V881-T883 PolarHBondContact O-N 3.22Š| ||
| 884 | R | 21.4 | Very low | 23.3 | Very low | 190 Ų | 190 | 153.9 Ų | 153.9 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -107.5 | 55.4 | -176.5 | -62.1 | -166.6 | -140.8 | 172.4 | 16.2 | 115.6 | D882 | D882-R884 VanDerWaalsContact C-N 3.32Å; D882-R884 PolarHBondContact O-N 2.82Å; D882-R884 VanDerWaalsContact O-N 3.14Å; D882-R884 WeakPolarHBondContact OD1-CG 3.47Å; D882-R884 IonicContact OD1-CZ 2.69Å; D882-R884 IonicContact OD1-NE 2.67Å; D882-R884 PolarHBondContact OD1-NE 3.01Å; D882-R884 IonicContact OD1-NH2 3.09Å; D882-R884 PolarHBondContact OD1-NH2 3.36Å; D882-R884 IonicContact OD2-CZ 2.72Å; D882-R884 IonicContact OD2-NE 2.72Å; D882-R884 IonicContact OD2-NH2 2.62Å; D882-R884 PolarHBondContact OD2-NH2 3.38Å | ||
| 885 | Y | 23.5 | Very low | 23.2 | Very low | 242 Ų | 242 | 155.1 Ų | 155.1 | 95% | 0.949 | 79% | 0.792 | S | S | * | * | trans | -141.5 | 76.5 | 149.4 | -86.1 | -69.3 | 0 | 0 | 0 | 109.9 | ||||
| 886 | R | 20.3 | Very low | 23 | Very low | 223 Ų | 223 | 154.5 Ų | 154.5 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -123.4 | 159.2 | 163.7 | -84.3 | -171.6 | 171 | -174.1 | -1.2 | 108.6 | ||||
| 887 | N | 22.9 | Very low | 22.9 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 70.2 | 83.8 | 176.9 | -55.8 | 23.7 | 0 | 0 | 0 | 115.1 | ||||
| 888 | S | 22.6 | Very low | 23 | Very low | 112 Ų | 112 | 153.1 Ų | 153.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -124.5 | 102.1 | 136.6 | 61.9 | 0 | 0 | 0 | 0 | 107 | C890 | S888-C890 PolarHBondContact O-N 3.48Š| ||
| 889 | D | 23.7 | Very low | 23.1 | Very low | 109 Ų | 109 | 156.3 Ų | 156.3 | 58% | 0.583 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 111.7 | -163.3 | -57.1 | -82.2 | 0 | 0 | 0 | 112.9 | Y891 | D889-Y891 HydrophobicContact CB-CD2 4.27Å; D889-Y891 HydrophobicContact CB-CE2 4.06Å; D889-Y891 WeakPolarHBondContact O-CD2 3.29Å; D889-Y891 PolarHBondContact O-N 2.87Å | ||
| 890 | C | 21.9 | Very low | 23.1 | Very low | 130 Ų | 130 | 154.3 Ų | 154.3 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | -74.7 | 89.7 | 167.3 | -73.9 | 0 | 0 | 0 | 0 | 109.7 | S888 | S888-C890 PolarHBondContact O-N 3.48Š| ||
| 891 | Y | 22 | Very low | 23.1 | Very low | 189 Ų | 189 | 152.8 Ų | 152.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -55.7 | 135.6 | 178.6 | -84.3 | -97.8 | 0 | 0 | 0 | 112.4 | D889 Y893 | D889-Y891 HydrophobicContact CB-CD2 4.27Å; D889-Y891 HydrophobicContact CB-CE2 4.06Å; D889-Y891 WeakPolarHBondContact O-CD2 3.29Å; D889-Y891 PolarHBondContact O-N 2.87Å; Y891-Y893 PolarHBondContact O-N 2.78Å; Y891-Y893 VanDerWaalsContact O-N 3.16Å | ||
| 892 | P | 26.1 | Very low | 23 | Very low | 116 Ų | 116 | 151.5 Ų | 151.5 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -78.6 | 100.7 | 179.9 | 31.5 | -33.7 | 0 | 0 | 0 | 110.7 | H894 | P892-H894 PolarHBondContact O-N 2.91Š| ||
| 893 | Y | 22 | Very low | 23 | Very low | 222 Ų | 222 | 150.4 Ų | 150.4 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 124.6 | 167.5 | -96.5 | -87.2 | 0 | 0 | 0 | 110.9 | Y891 | Y891-Y893 PolarHBondContact O-N 2.78Å; Y891-Y893 VanDerWaalsContact O-N 3.16Å |
| 894 | H | 23.5 | Very low | 22.9 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 139.9 | 178.5 | -99.3 | -111.6 | 0 | 0 | 0 | 111.8 | P892 N896 | P892-H894 PolarHBondContact O-N 2.91Å; H894-N896 PolarHBondContact O-N 3.33Å |
| 895 | V | 23.3 | Very low | 22.9 | Very low | 127 Ų | 127 | 156.6 Ų | 156.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65 | 124 | 159.6 | 178.3 | 0 | 0 | 0 | 0 | 108 | ||
| 896 | N | 22.2 | Very low | 22.9 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -155.6 | 126.1 | 160.5 | -107.4 | -8.4 | 0 | 0 | 0 | 109.7 | H894 S898 | H894-N896 PolarHBondContact O-N 3.33Å; N896-S898 PolarHBondContact O-N 3.11Å | ||
| 897 | D | 25.2 | Very low | 23 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -62.5 | 117.3 | -165.1 | -53.3 | -57.5 | 0 | 0 | 0 | 115.4 | ||||
| 898 | S | 24.2 | Very low | 23 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -176.7 | 161.5 | 139.7 | 46.9 | 0 | 0 | 0 | 0 | 110.8 | N896 | N896-S898 PolarHBondContact O-N 3.11Š| ||
| 899 | N | 22.9 | Very low | 23 | Very low | 133 Ų | 133 | 152.6 Ų | 152.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 79.5 | 116.9 | -168.2 | -52.5 | -13.8 | 0 | 0 | 0 | 113.2 | E901 | N899-E901 HydrophobicContact CB-CG 4.14Š| ||
| 900 | D | 25.5 | Very low | 22.9 | Very low | 158 Ų | 158 | 156.1 Ų | 156.1 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | cis | 68.1 | 31.6 | 11.6 | -137.5 | 20.8 | 0 | 0 | 0 | 115.5 | ||||
| 901 | E | 21.9 | Very low | 23 | Very low | 163 Ų | 163 | 158 Ų | 158 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -92.1 | 92.7 | 163.7 | -74.8 | -148.6 | 143.1 | 0 | 0 | 112.1 | N899 | N899-E901 HydrophobicContact CB-CG 4.14Š| ||
| 902 | S | 21.4 | Very low | 23.1 | Very low | 112 Ų | 112 | 155.2 Ų | 155.2 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -107.4 | 51.6 | 170.7 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 903 | S | 22.7 | Very low | 23 | Very low | 89 Ų | 89 | 153.8 Ų | 153.8 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | trans | -158.8 | 100.8 | 166.4 | 59.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 904 | Y | 21.6 | Very low | 23.3 | Very low | 226 Ų | 226 | 148.1 Ų | 148.1 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | trans | -117.7 | 85.3 | 142.1 | -91.8 | -84.7 | 0 | 0 | 0 | 110.1 | V906 | Y904-V906 PolarHBondContact O-N 3.16Š| ||
| 905 | R | 21.6 | Very low | 23.5 | Very low | 226 Ų | 226 | 147.4 Ų | 147.4 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -82.9 | 105.5 | 174.8 | -79.7 | -177.7 | 171.2 | 171.8 | -0.2 | 110.4 | T907 | R905-T907 PolarHBondContact O-N 3.12Š| ||
| 906 | V | 23.7 | Very low | 24 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -66.3 | 115.8 | 165.3 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | Y904 H908 | Y904-V906 PolarHBondContact O-N 3.16Å; V906-H908 PolarHBondContact O-N 3.18Å | ||
| 907 | T | 22.6 | Very low | 24.2 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -87.6 | 90.3 | -174 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | R905 K909 | R905-T907 PolarHBondContact O-N 3.12Å; T907-K909 PolarHBondContact O-N 3.26Å | ||
| 908 | H | 23.6 | Very low | 24.4 | Very low | 175 Ų | 175 | 142 Ų | 142 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -62 | 107.3 | 167.7 | -79.9 | -86.3 | 0 | 0 | 0 | 110.6 | V906 K910 | V906-H908 PolarHBondContact O-N 3.18Å; H908-K910 PolarHBondContact O-N 2.69Å | ||
| 909 | K | 22 | Very low | 24.7 | Very low | 202 Ų | 202 | 141.3 Ų | 141.3 | 88% | 0.878 | 73% | 0.73 | S | S | * | * | trans | -62.4 | 121.1 | 171.6 | -85 | -176.9 | 175.8 | 175.5 | 0 | 109.6 | T907 I911 | T907-K909 PolarHBondContact O-N 3.26Å; K909-I911 PolarHBondContact O-N 3.01Å | ||
| 910 | K | 22.1 | Very low | 25.1 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -87.4 | 98 | -173.2 | -169.7 | 179.5 | -173.3 | 179.3 | 0 | 110.5 | H908 I912 | H908-K910 PolarHBondContact O-N 2.69Å; K910-I912 HydrophobicContact CG-CG1 4.28Å | ||
| 911 | I | 23.5 | Very low | 25.3 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 87% | 0.867 | 71% | 0.711 | S | S | * | * | trans | -72.8 | 125.5 | 166.6 | -59.8 | 178.6 | 0 | 0 | 0 | 107.5 | K909 | K909-I911 PolarHBondContact O-N 3.01Š| ||
| 912 | I | 22.9 | Very low | 25.8 | Very low | 131 Ų | 131 | 138 Ų | 138 | 67% | 0.672 | 70% | 0.701 | S | S | * | * | trans | -102.2 | 107.3 | -172.1 | -62.6 | 170.8 | 0 | 0 | 0 | 108.8 | K910 | K910-I912 HydrophobicContact CG-CG1 4.28Š| ||
| 913 | S | 25.3 | Very low | 26.4 | Very low | 86 Ų | 86 | 136.8 Ų | 136.8 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | trans | -72.6 | 140.9 | 173 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | Q915 S916 | S913-Q915 VanDerWaalsContact C-N 3.32Å; S913-Q915 PolarHBondContact O-N 3.11Å; S913-S916 WeakPolarHBondContact O-CB 3.27Å; S913-S916 PolarHBondContact O-N 2.97Å | ||
| 914 | S | 27.4 | Very low | 26.9 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -20.6 | -166.1 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | S916 M917 | S914-S916 PolarHBondContact O-N 2.87Å; S914-M917 WeakPolarHBondContact O-CB 3.31Å; S914-M917 PolarHBondContact O-N 2.93Å |
| 915 | Q | 28.3 | Very low | 27.5 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -57.2 | -34 | 175.8 | -71 | 178 | -14.5 | 0 | 0 | 112.7 | S913 M917 M918 C919 | S913-Q915 VanDerWaalsContact C-N 3.32Å; S913-Q915 PolarHBondContact O-N 3.11Å; Q915-M917 PolarHBondContact O-N 2.74Å; Q915-M917 VanDerWaalsContact O-N 3.13Å; Q915-M918 PolarHBondContact O-N 2.68Å; Q915-C919 PolarHBondContact O-N 3.32Å |
| 916 | S | 32.7 | Very low | 27.9 | Very low | 50 Ų | 50 | 127.6 Ų | 127.6 | 35% | 0.35 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -51.8 | -36.9 | 173.9 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | S913 S914 Q920 | S913-S916 WeakPolarHBondContact O-CB 3.27Å; S913-S916 PolarHBondContact O-N 2.97Å; S914-S916 PolarHBondContact O-N 2.87Å; S916-Q920 WeakPolarHBondContact O-CB 3.25Å; S916-Q920 WeakPolarHBondContact O-CG 3.24Å; S916-Q920 PolarHBondContact O-N 3.13Å |
| 917 | M | 27.3 | Very low | 28.3 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -79.7 | -21.8 | -171.1 | -141.7 | 177.4 | 75.2 | 0 | 0 | 113.8 | S914 Q915 R921 | S914-M917 WeakPolarHBondContact O-CB 3.31Å; S914-M917 PolarHBondContact O-N 2.93Å; Q915-M917 PolarHBondContact O-N 2.74Å; Q915-M917 VanDerWaalsContact O-N 3.13Å; M917-R921 WeakPolarHBondContact O-CB 3.48Å; M917-R921 PolarHBondContact O-N 2.73Å |
| 918 | M | 29.5 | Very low | 28.6 | Very low | 135 Ų | 135 | 125 Ų | 125 | 67% | 0.665 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.7 | -48.3 | 169 | -91.4 | -66.2 | -163.4 | 0 | 0 | 110.8 | Q915 R921 L922 | Q915-M918 PolarHBondContact O-N 2.68Å; M918-R921 PolarHBondContact O-N 3.02Å; M918-R921 VanDerWaalsContact O-N 3.16Å; M918-L922 PolarHBondContact O-N 2.98Å |
| 919 | C | 30.6 | Very low | 29.1 | Very low | 90 Ų | 90 | 121.4 Ų | 121.4 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.9 | -48.4 | -180 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | Q915 R921 L922 E923 | Q915-C919 PolarHBondContact O-N 3.32Å; C919-R921 VanDerWaalsContact C-N 3.27Å; C919-R921 PolarHBondContact O-N 3.43Å; C919-L922 PolarHBondContact O-N 3.13Å; C919-E923 WeakPolarHBondContact O-CB 3.42Å; C919-E923 PolarHBondContact O-N 3.17Å |
| 920 | Q | 30.7 | Very low | 29.5 | Very low | 121 Ų | 121 | 116.7 Ų | 116.7 | 57% | 0.565 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.8 | -31.9 | 176 | -73.3 | -175.3 | -23.9 | 0 | 0 | 112.9 | S916 Y924 | S916-Q920 WeakPolarHBondContact O-CB 3.25Å; S916-Q920 WeakPolarHBondContact O-CG 3.24Å; S916-Q920 PolarHBondContact O-N 3.13Å; Q920-Y924 WeakPolarHBondContact O-CB 3.25Å; Q920-Y924 PolarHBondContact O-N 3.43Å |
| 921 | R | 30.5 | Very low | 29.6 | Very low | 160 Ų | 160 | 112.9 Ų | 112.9 | 60% | 0.604 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -78.5 | -31.9 | -179.8 | -164 | 170.9 | -162.2 | 150 | 5.6 | 112.7 | M917 M918 C919 I925 | M917-R921 WeakPolarHBondContact O-CB 3.48Å; M917-R921 PolarHBondContact O-N 2.73Å; M918-R921 PolarHBondContact O-N 3.02Å; M918-R921 VanDerWaalsContact O-N 3.16Å; C919-R921 VanDerWaalsContact C-N 3.27Å; C919-R921 PolarHBondContact O-N 3.43Å; R921-I925 WeakPolarHBondContact O-CD1 2.96Å; R921-I925 VanDerWaalsContact O-CG1 3.22Å; R921-I925 WeakPolarHBondContact O-CG1 3.49Å; R921-I925 PolarHBondContact O-N 3.42Å |
| 922 | L | 32.5 | Very low | 29.8 | Very low | 104 Ų | 104 | 108.8 Ų | 108.8 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74 | -38.1 | 169.2 | -91.3 | 164.7 | 0 | 0 | 0 | 112.3 | M918 C919 Y924 I925 L926 | M918-L922 PolarHBondContact O-N 2.98Å; C919-L922 PolarHBondContact O-N 3.13Å; L922-Y924 VanDerWaalsContact C-N 3.32Å; L922-I925 PolarHBondContact O-N 2.86Å; L922-L926 WeakPolarHBondContact O-CG 3.29Å; L922-L926 PolarHBondContact O-N 3.3Å |
| 923 | E | 32.8 | Very low | 30.1 | Very low | 87 Ų | 87 | 109.1 Ų | 109.1 | 41% | 0.407 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.4 | -40.7 | 171.4 | -172.6 | 167.4 | -131.3 | 0 | 0 | 111 | C919 L926 L927 K943 | C919-E923 WeakPolarHBondContact O-CB 3.42Å; C919-E923 PolarHBondContact O-N 3.17Å; E923-L926 PolarHBondContact O-N 3.07Å; E923-L927 HydrophobicContact CG-CD1 4.26Å; E923-L927 WeakPolarHBondContact O-CB 3.34Å; E923-L927 WeakPolarHBondContact O-CG 3.47Å; E923-L927 PolarHBondContact O-N 3.41Å; E923-K943 IonicContact OE1-NZ 2.74Å; E923-K943 PolarHBondContact OE1-NZ 3.24Å |
| 924 | Y | 34.2 | Very low | 30.2 | Very low | 147 Ų | 147 | 112.2 Ų | 112.2 | 58% | 0.576 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.6 | -41.1 | 171.7 | -173.5 | -88 | 0 | 0 | 0 | 112.7 | Q920 L922 L927 Q928 | Q920-Y924 WeakPolarHBondContact O-CB 3.25Å; Q920-Y924 PolarHBondContact O-N 3.43Å; L922-Y924 VanDerWaalsContact C-N 3.32Å; Y924-L927 PolarHBondContact O-N 3.11Å; Y924-Q928 HydrophobicContact CD1-CG 3.98Å; Y924-Q928 HydrophobicContact CE1-CG 3.72Å; Y924-Q928 WeakPolarHBondContact O-CB 3.28Å; Y924-Q928 VanDerWaalsContact O-CG 3.23Å; Y924-Q928 WeakPolarHBondContact O-CG 3.33Å; Y924-Q928 PolarHBondContact O-N 3.39Å |
| 925 | I | 33 | Very low | 30.4 | Very low | 89 Ų | 89 | 117.4 Ų | 117.4 | 46% | 0.456 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.1 | -42.5 | 175.7 | -73 | 162.4 | 0 | 0 | 0 | 111.1 | R921 L922 Q928 T929 | R921-I925 WeakPolarHBondContact O-CD1 2.96Å; R921-I925 VanDerWaalsContact O-CG1 3.22Å; R921-I925 WeakPolarHBondContact O-CG1 3.49Å; R921-I925 PolarHBondContact O-N 3.42Å; L922-I925 PolarHBondContact O-N 2.86Å; I925-Q928 WeakPolarHBondContact O-CB 3.46Å; I925-Q928 PolarHBondContact O-N 2.96Å; I925-T929 PolarHBondContact O-N 2.92Å; I925-T929 PolarHBondContact O-OG1 2.79Å |
| 926 | L | 30.7 | Very low | 30.5 | Very low | 112 Ų | 112 | 114 Ų | 114 | 59% | 0.586 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.3 | -34.3 | 177.9 | -73.6 | 168 | 0 | 0 | 0 | 112.6 | L922 E923 T929 T930 | L922-L926 WeakPolarHBondContact O-CG 3.29Å; L922-L926 PolarHBondContact O-N 3.3Å; E923-L926 PolarHBondContact O-N 3.07Å; L926-T929 WeakPolarHBondContact CA-OG1 3.33Å; L926-T929 PolarHBondContact O-N 3.48Å; L926-T929 PolarHBondContact O-OG1 2.89Å; L926-T930 PolarHBondContact O-N 3.36Å; L926-T930 PolarHBondContact O-OG1 3.01Å |
| 927 | L | 31.4 | Very low | 30.3 | Very low | 83 Ų | 83 | 120.8 Ų | 120.8 | 44% | 0.435 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.6 | -43.2 | 168.5 | -80 | 164.9 | 0 | 0 | 0 | 111.5 | E923 Y924 T929 T930 L931 | E923-L927 HydrophobicContact CG-CD1 4.26Å; E923-L927 WeakPolarHBondContact O-CB 3.34Å; E923-L927 WeakPolarHBondContact O-CG 3.47Å; E923-L927 PolarHBondContact O-N 3.41Å; Y924-L927 PolarHBondContact O-N 3.11Å; L927-T929 VanDerWaalsContact C-N 3.32Å; L927-T929 PolarHBondContact O-N 2.86Å; L927-T930 WeakPolarHBondContact CA-OG1 3.35Å; L927-T930 CarbonylContact O-C 3.55Å; L927-T930 PolarHBondContact O-N 3.43Å; L927-T930 PolarHBondContact O-OG1 3.14Å; L927-L931 HydrophobicContact CB-CD1 4.27Å; L927-L931 HydrophobicContact CD2-CD1 4.2Å; L927-L931 VanDerWaalsContact O-CB 3.28Å; L927-L931 WeakPolarHBondContact O-CB 3.5Å; L927-L931 WeakPolarHBondContact O-CG 3.2Å; L927-L931 PolarHBondContact O-N 3.04Å |
| 928 | Q | 29.4 | Very low | 30.3 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 53% | 0.528 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -61 | -38.7 | 174.8 | -73.1 | -77.9 | -42.2 | 0 | 0 | 112.1 | Y924 I925 T930 | Y924-Q928 HydrophobicContact CD1-CG 3.98Å; Y924-Q928 HydrophobicContact CE1-CG 3.72Å; Y924-Q928 WeakPolarHBondContact O-CB 3.28Å; Y924-Q928 VanDerWaalsContact O-CG 3.23Å; Y924-Q928 WeakPolarHBondContact O-CG 3.33Å; Y924-Q928 PolarHBondContact O-N 3.39Å; I925-Q928 WeakPolarHBondContact O-CB 3.46Å; I925-Q928 PolarHBondContact O-N 2.96Å; Q928-T930 PolarHBondContact O-N 3.13Å |
| 929 | T | 34.5 | Very low | 30.2 | Very low | 99 Ų | 99 | 120 Ų | 120 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -6.5 | 174.2 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | I925 L926 L927 | I925-T929 PolarHBondContact O-N 2.92Å; I925-T929 PolarHBondContact O-OG1 2.79Å; L926-T929 WeakPolarHBondContact CA-OG1 3.33Å; L926-T929 PolarHBondContact O-N 3.48Å; L926-T929 PolarHBondContact O-OG1 2.89Å; L927-T929 VanDerWaalsContact C-N 3.32Å; L927-T929 PolarHBondContact O-N 2.86Å |
| 930 | T | 30.6 | Very low | 30.1 | Very low | 102 Ų | 102 | 123.5 Ų | 123.5 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -5.5 | 176.7 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | L926 L927 Q928 | L926-T930 PolarHBondContact O-N 3.36Å; L926-T930 PolarHBondContact O-OG1 3.01Å; L927-T930 WeakPolarHBondContact CA-OG1 3.35Å; L927-T930 CarbonylContact O-C 3.55Å; L927-T930 PolarHBondContact O-N 3.43Å; L927-T930 PolarHBondContact O-OG1 3.14Å; Q928-T930 PolarHBondContact O-N 3.13Å |
| 931 | L | 24.5 | Very low | 30.1 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 53% | 0.534 | 64% | 0.639 | S | S | . | * | trans | -111.1 | 54.1 | 178.4 | -69 | 170.7 | 0 | 0 | 0 | 112 | L927 | L927-L931 HydrophobicContact CB-CD1 4.27Å; L927-L931 HydrophobicContact CD2-CD1 4.2Å; L927-L931 VanDerWaalsContact O-CB 3.28Å; L927-L931 WeakPolarHBondContact O-CB 3.5Å; L927-L931 WeakPolarHBondContact O-CG 3.2Å; L927-L931 PolarHBondContact O-N 3.04Å | ||
| 932 | A | 27.5 | Very low | 30.2 | Very low | 84 Ų | 84 | 123 Ų | 123 | 69% | 0.694 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -109.2 | 74 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 933 | T | 27.8 | Very low | 30.4 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 85% | 0.847 | 62% | 0.623 | S | S | * | * | trans | 42.7 | 96.6 | 160.4 | 57.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 934 | D | 28.5 | Very low | 30.8 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 64% | 0.635 | S | S | * | * | trans | -140 | 141.7 | 130.6 | -136.5 | -33 | 0 | 0 | 0 | 110.4 | ||||
| 935 | K | 32 | Very low | 31 | Very low | 213 Ų | 213 | 123.1 Ų | 123.1 | 93% | 0.926 | 62% | 0.624 | S | S | * | * | trans | -96.9 | 8.7 | -173.6 | -91.5 | -174.1 | 174.5 | -179.5 | 0 | 113.4 | K937 | K935-K937 PolarHBondContact O-N 3.45Š| ||
| 936 | S | 29.5 | Very low | 31.8 | Very low | 86 Ų | 86 | 122.7 Ų | 122.7 | 60% | 0.601 | 62% | 0.619 | S | S | * | * | trans | -85.7 | 90.7 | -176.2 | 43.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 937 | K | 28.8 | Very low | 32.5 | Very low | 194 Ų | 194 | 120.3 Ų | 120.3 | 84% | 0.843 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 36.6 | 111.3 | 153.9 | -61.9 | -179.3 | 179.3 | 179.1 | 0 | 118.8 | K935 | K935-K937 PolarHBondContact O-N 3.45Š|
| 938 | N | 27.8 | Very low | 33.4 | Very low | 158 Ų | 158 | 117.4 Ų | 117.4 | 85% | 0.845 | 59% | 0.591 | S | S | * | * | trans | 66.2 | 39.7 | 146 | -63.1 | -6.3 | 0 | 0 | 0 | 119.8 | R940 | N938-R940 PolarHBondContact O-N 2.95Š| ||
| 939 | S | 26.9 | Very low | 34.3 | Very low | 87 Ų | 87 | 112.7 Ų | 112.7 | 61% | 0.608 | 57% | 0.568 | S | S | * | * | trans | -64.9 | 115.2 | 160.2 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | Y941 | S939-Y941 WeakPolarHBondContact O-CD2 3.38Å; S939-Y941 WeakPolarHBondContact O-CE2 3.35Å | ||
| 940 | R | 28.6 | Very low | 35.1 | Very low | 165 Ų | 165 | 109.7 Ų | 109.7 | 62% | 0.623 | 55% | 0.55 | S | S | * | * | trans | -79.7 | 119.9 | 176.8 | -64 | -175.6 | -173.9 | 163.9 | 8.1 | 109.6 | N938 F942 T960 S1218 | N938-R940 PolarHBondContact O-N 2.95Å; R940-F942 PolarHBondContact O-N 2.91Å; R940-T960 HydrophobicContact CB-CG2 4.26Å; R940-S1218 PolarHBondContact NH1-OG 2.81Å | ||
| 941 | Y | 31.3 | Very low | 35.7 | Very low | 184 Ų | 184 | 107.3 Ų | 107.3 | 72% | 0.722 | 54% | 0.536 | S | S | * | . | trans | -79 | 115.7 | -172 | -67.2 | -95.8 | 0 | 0 | 0 | 112.7 | S939 | S939-Y941 WeakPolarHBondContact O-CD2 3.38Å; S939-Y941 WeakPolarHBondContact O-CE2 3.35Å | ||
| 942 | F | 31.6 | Very low | 36.7 | Very low | 86 Ų | 86 | 114 Ų | 114 | 38% | 0.377 | 55% | 0.554 | S | S | . | * | trans | -100.7 | 110.5 | 174.3 | -146.2 | -56.7 | 0 | 0 | 0 | 110.4 | I778 R940 T960 P962 | I778-F942 HydrophobicContact CD1-CE1 4.49Å; I778-F942 HydrophobicContact CD1-CZ 3.85Å; R940-F942 PolarHBondContact O-N 2.91Å; F942-T960 WeakPolarHBondContact CD2-OG1 3.36Å; F942-T960 VanDerWaalsContact CE2-O 3.27Å; F942-T960 WeakPolarHBondContact CE2-O 3.42Å; F942-T960 WeakPolarHBondContact CE2-OG1 3.38Å; F942-T960 VanDerWaalsContact CZ-O 3.27Å; F942-T960 WeakPolarHBondContact CZ-O 3.43Å; F942-P962 HydrophobicContact CE2-CG 4.33Å | ||
| 943 | K | 36.7 | Very low | 37.6 | Very low | 99 Ų | 99 | 111.8 Ų | 111.8 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | trans | -94.6 | 149.4 | 174.7 | -141.3 | -168 | -172.7 | -169.4 | 0 | 110.5 | E923 D945 Y955 | E923-K943 IonicContact OE1-NZ 2.74Å; E923-K943 PolarHBondContact OE1-NZ 3.24Å; K943-D945 PolarHBondContact O-N 3.19Å; K943-D945 VanDerWaalsContact O-N 3.14Å; K943-Y955 WeakPolarHBondContact CD-OH 3.43Å; K943-Y955 PolarHBondContact NZ-OH 3.07Å | ||
| 944 | R | 40.8 | Very low | 38.2 | Very low | 175 Ų | 175 | 114.5 Ų | 114.5 | 66% | 0.66 | 53% | 0.534 | S | S | * | . | trans | -81.7 | 18.5 | -168 | -61.6 | -176 | -178.1 | 133 | 5 | 115.3 | K946 | R944-K946 PolarHBondContact O-N 2.94Š| ||
| 945 | D | 40.1 | Very low | 39 | Very low | 66 Ų | 66 | 111.7 Ų | 111.7 | 35% | 0.353 | 51% | 0.513 | S | S | . | . | trans | -74.8 | 114.6 | -173.8 | -58.3 | -18.7 | 0 | 0 | 0 | 109.2 | K943 I947 I948 Y955 | K943-D945 PolarHBondContact O-N 3.19Å; K943-D945 VanDerWaalsContact O-N 3.14Å; D945-I947 CarbonylContact O-C 3.51Å; D945-I947 PolarHBondContact O-N 3.3Å; D945-I948 WeakPolarHBondContact O-CG1 3.2Å; D945-Y955 WeakPolarHBondContact OD2-CE2 3.31Å; D945-Y955 PolarHBondContact OD2-OH 3.3Å | ||
| 946 | K | 49.9 | Very low | 39.8 | Very low | 81 Ų | 81 | 108.5 Ų | 108.5 | 35% | 0.352 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -58.2 | -33.3 | -173.3 | -71.8 | -164.2 | 175.5 | -160.3 | 0 | 113 | I777 A805 R806 G807 R944 | I777-K946 WeakPolarHBondContact CA-O 3.36Å; I777-K946 WeakPolarHBondContact CG2-O 3.48Å; A805-K946 HydrophobicContact CB-CD 4.03Å; A805-K946 PolarHBondContact O-NZ 3.27Å; R806-K946 WeakPolarHBondContact O-CE 3.42Å; R806-K946 PolarHBondContact O-NZ 2.95Å; G807-K946 PolarHBondContact O-NZ 3.02Å; R944-K946 PolarHBondContact O-N 2.94Å |
| 947 | I | 44.1 | Very low | 40.8 | Very low | 62 Ų | 62 | 116.1 Ų | 116.1 | 32% | 0.318 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 106.9 | 169.3 | -49 | 168.7 | 0 | 0 | 0 | 107.1 | K775 I776 I777 D945 Y949 T950 | K775-I947 HydrophobicContact CB-CG2 4.24Å; K775-I947 HydrophobicContact CD-CD1 4.41Å; I776-I947 CarbonylContact O-C 3.54Å; I777-I947 HydrophobicContact CG1-CG1 4.38Å; D945-I947 CarbonylContact O-C 3.51Å; D945-I947 PolarHBondContact O-N 3.3Å; I947-Y949 WeakPolarHBondContact CG2-O 3.4Å; I947-T950 HydrophobicContact CG2-CG2 3.52Å |
| 948 | I | 51.1 | Low | 41.9 | Very low | 21 Ų | 21 | 111.4 Ų | 111.4 | 11% | 0.108 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -29.1 | -172.8 | -57.7 | 168.8 | 0 | 0 | 0 | 110.6 | I776 I778 D945 P959 W1217 | I776-I948 PolarHBondContact O-N 2.99Å; I778-I948 HydrophobicContact CB-CD1 4.5Å; I778-I948 HydrophobicContact CD1-CD1 3.37Å; I778-I948 HydrophobicContact CG1-CD1 3.63Å; D945-I948 WeakPolarHBondContact O-CG1 3.2Å; I948-P959 HydrophobicContact CG2-CB 4.26Å; I948-W1217 HydrophobicContact CB-CH2 3.78Å; I948-W1217 HydrophobicContact CB-CZ3 3.99Å; I948-W1217 HydrophobicContact CD1-CZ3 3.96Å; I948-W1217 HydrophobicContact CG2-CH2 3.55Å; I948-W1217 HydrophobicContact CG2-CZ3 3.63Å |
| 949 | Y | 47.6 | Very low | 43.7 | Very low | 14 Ų | 14 | 104.6 Ų | 104.6 | 6% | 0.055 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.9 | 171.4 | 173.9 | -104.2 | 0 | 0 | 0 | 112.6 | F774 I776 I947 P951 S953 L1213 P1214 | F774-Y949 HydrophobicContact CD1-CD1 4.16Å; F774-Y949 AromaticContact CD1-CE1 3.91Å; F774-Y949 HydrophobicContact CD1-CE1 3.91Å; F774-Y949 HydrophobicContact CE1-CD1 4.46Å; F774-Y949 HydrophobicContact CE1-CE1 4.43Å; I776-Y949 HydrophobicContact CD1-CD1 4.2Å; I776-Y949 HydrophobicContact CG1-CD1 4.33Å; I776-Y949 PolarHBondContact N-O 3.35Å; I776-Y949 PolarHBondContact O-N 3.48Å; I947-Y949 WeakPolarHBondContact CG2-O 3.4Å; Y949-P951 WeakPolarHBondContact OH-CA 3.21Å; Y949-S953 WeakPolarHBondContact CD2-OG 3.47Å; Y949-L1213 HydrophobicContact CE2-CB 4.18Å; Y949-L1213 HydrophobicContact CE2-CD2 4.43Å; Y949-L1213 WeakPolarHBondContact OH-CD1 3.31Å; Y949-P1214 HydrophobicContact CD2-CG 3.48Å; Y949-P1214 VanDerWaalsContact CD2-CG 3.48Å; Y949-P1214 HydrophobicContact CE2-CG 4.08Å; Y949-P1214 HydrophobicContact CG-CG 3.91Å |
| 950 | T | 50.9 | Low | 45.5 | Very low | 37 Ų | 37 | 100.9 Ų | 100.9 | 23% | 0.227 | 44% | 0.435 | C | S | . | . | trans | -133.5 | 162.8 | 154 | 66.3 | 0 | 0 | 0 | 0 | 108.3 | K775 I947 R952 S953 | K775-T950 HydrophobicContact CG-CG2 4.31Å; I947-T950 HydrophobicContact CG2-CG2 3.52Å; T950-R952 PolarHBondContact O-N 3.24Å; T950-R952 PolarHBondContact OG1-N 3.05Å; T950-S953 PolarHBondContact N-OG 3.11Å; T950-S953 WeakPolarHBondContact O-CB 3.47Å; T950-S953 PolarHBondContact O-N 2.7Å; T950-S953 PolarHBondContact O-OG 2.95Å | ||
| 951 | P | 44.2 | Very low | 47.5 | Very low | 52 Ų | 52 | 93 Ų | 93 | 34% | 0.338 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -15.6 | 173.9 | -26.5 | 34.8 | 0 | 0 | 0 | 115.2 | L771 F774 Y949 | L771-P951 WeakPolarHBondContact O-CG 3.25Å; F774-P951 WeakPolarHBondContact O-CD 3.48Å; Y949-P951 WeakPolarHBondContact OH-CA 3.21Å |
| 952 | R | 46.2 | Very low | 49.3 | Very low | 242 Ų | 242 | 84.4 Ų | 84.4 | 91% | 0.913 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -7.4 | 176.8 | -60.9 | -178.7 | 179.8 | 178.1 | 0.7 | 113.6 | T950 | T950-R952 PolarHBondContact O-N 3.24Å; T950-R952 PolarHBondContact OG1-N 3.05Å |
| 953 | S | 45.9 | Very low | 51.3 | Low | 37 Ų | 37 | 81.4 Ų | 81.4 | 26% | 0.259 | 36% | 0.359 | S | S | . | . | trans | -82.8 | 150.4 | -174.9 | 71 | 0 | 0 | 0 | 0 | 113.5 | Y949 T950 | Y949-S953 WeakPolarHBondContact CD2-OG 3.47Å; T950-S953 PolarHBondContact N-OG 3.11Å; T950-S953 WeakPolarHBondContact O-CB 3.47Å; T950-S953 PolarHBondContact O-N 2.7Å; T950-S953 PolarHBondContact O-OG 2.95Å | ||
| 954 | K | 39.4 | Very low | 52.8 | Low | 195 Ų | 195 | 78.1 Ų | 78.1 | 85% | 0.848 | 35% | 0.354 | S | S | * | . | trans | -93.2 | -1.5 | -176 | -74.7 | -173.8 | 175.6 | -179.3 | 0 | 115.1 | K956 | K954-K956 VanDerWaalsContact C-N 3.29Å; K954-K956 PolarHBondContact O-N 2.86Å | ||
| 955 | Y | 46.8 | Very low | 54.3 | Low | 92 Ų | 92 | 70.9 Ų | 70.9 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | trans | -82 | 67.1 | -168 | -55.9 | -54.6 | 0 | 0 | 0 | 112.8 | K943 D945 | K943-Y955 WeakPolarHBondContact CD-OH 3.43Å; K943-Y955 PolarHBondContact NZ-OH 3.07Å; D945-Y955 WeakPolarHBondContact OD2-CE2 3.31Å; D945-Y955 PolarHBondContact OD2-OH 3.3Å | ||
| 956 | K | 47.4 | Very low | 55.9 | Low | 146 Ų | 146 | 69.1 Ų | 69.1 | 64% | 0.635 | 32% | 0.317 | S | S | * | . | trans | -102.1 | 19.1 | -159.7 | -141.1 | -172.7 | -172.1 | -173 | 0 | 116.9 | K954 L1213 | K954-K956 VanDerWaalsContact C-N 3.29Å; K954-K956 PolarHBondContact O-N 2.86Å; K956-L1213 VanDerWaalsContact CE-CD2 3.41Å | ||
| 957 | R | 49.8 | Very low | 57.3 | Low | 245 Ų | 245 | 65.2 Ų | 65.2 | 93% | 0.925 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -113.3 | -70.9 | -175.9 | -73.9 | -170 | 172.8 | -176.5 | -2.6 | 114.5 | ||
| 958 | M | 53.1 | Low | 58.9 | Low | 95 Ų | 95 | 62.3 Ų | 62.3 | 47% | 0.468 | 29% | 0.285 | S | S | . | . | trans | -151.1 | 106.5 | 166.4 | -71.4 | -168.2 | 83.1 | 0 | 0 | 108.7 | Q1095 | M958-Q1095 HydrophobicContact CE-CG 4.33Š| ||
| 959 | P | 66.4 | Low | 60.3 | Low | 15 Ų | 15 | 61.3 Ų | 61.3 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | trans | -66.3 | 166.7 | 168 | 29.7 | -37.3 | 0 | 0 | 0 | 112 | I948 P1214 D1216 W1217 S1218 | I948-P959 HydrophobicContact CG2-CB 4.26Å; P959-P1214 HydrophobicContact CG-CB 4.11Å; P959-D1216 VanDerWaalsContact CD-O 3.25Å; P959-D1216 WeakPolarHBondContact CD-O 3.39Å; P959-D1216 WeakPolarHBondContact CG-O 3.07Å; P959-W1217 HydrophobicContact CB-CD2 3.96Å; P959-W1217 HydrophobicContact CB-CE3 3.58Å; P959-W1217 HydrophobicContact CB-CH2 3.88Å; P959-W1217 HydrophobicContact CB-CZ2 4.24Å; P959-W1217 HydrophobicContact CB-CZ3 3.56Å; P959-W1217 HydrophobicContact CG-CD2 3.49Å; P959-W1217 VanDerWaalsContact CG-CD2 3.49Å; P959-W1217 HydrophobicContact CG-CE3 3.69Å; P959-W1217 HydrophobicContact CG-CG 4Å; P959-W1217 HydrophobicContact CG-CH2 3.96Å; P959-W1217 HydrophobicContact CG-CZ2 3.78Å; P959-W1217 HydrophobicContact CG-CZ3 3.94Å; P959-S1218 PolarHBondContact O-N 2.84Å | ||
| 960 | T | 63.8 | Low | 61.9 | Low | 10 Ų | 10 | 62 Ų | 62 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 154.5 | 177 | 38.9 | 0 | 0 | 0 | 0 | 110.2 | R940 F942 S1218 T1220 | R940-T960 HydrophobicContact CB-CG2 4.26Å; F942-T960 WeakPolarHBondContact CD2-OG1 3.36Å; F942-T960 VanDerWaalsContact CE2-O 3.27Å; F942-T960 WeakPolarHBondContact CE2-O 3.42Å; F942-T960 WeakPolarHBondContact CE2-OG1 3.38Å; F942-T960 VanDerWaalsContact CZ-O 3.27Å; F942-T960 WeakPolarHBondContact CZ-O 3.43Å; T960-S1218 CarbonylContact C-O 3.59Å; T960-S1218 WeakPolarHBondContact CA-O 3.28Å; T960-S1218 WeakPolarHBondContact CB-O 3.32Å; T960-S1218 WeakPolarHBondContact CG2-O 3.35Å; T960-S1218 WeakPolarHBondContact CG2-OG 3.5Å; T960-T1220 HydrophobicContact CG2-CG2 3.79Å |
| 961 | F | 70.8 | Confident | 63.3 | Low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 161 | 164.9 | 82.8 | -84.2 | 0 | 0 | 0 | 112.4 | I778 L967 A1090 I1096 W1217 S1218 I1219 T1220 | I778-F961 HydrophobicContact CD1-CB 3.62Å; I778-F961 HydrophobicContact CG1-CB 4.42Å; F961-L967 HydrophobicContact CD1-CD2 4.05Å; F961-L967 HydrophobicContact CD2-CB 4.31Å; F961-L967 HydrophobicContact CE1-CD2 3.85Å; F961-L967 HydrophobicContact CE2-CB 4.16Å; F961-L967 HydrophobicContact CG-CD1 4.49Å; F961-L967 HydrophobicContact CZ-CB 4.31Å; F961-L967 HydrophobicContact CZ-CD2 4.24Å; F961-A1090 HydrophobicContact CE2-CB 3.88Å; F961-A1090 HydrophobicContact CZ-CB 3.62Å; F961-I1096 HydrophobicContact CE1-CB 4.48Å; F961-I1096 HydrophobicContact CE1-CD1 4.38Å; F961-I1096 HydrophobicContact CZ-CD1 4.06Å; F961-W1217 HydrophobicContact CD1-CB 3.94Å; F961-W1217 HydrophobicContact CE1-CB 4.23Å; F961-S1218 PolarHBondContact N-O 3.25Å; F961-I1219 HydrophobicContact CD1-CG1 3.93Å; F961-I1219 HydrophobicContact CE1-CD1 4.09Å; F961-I1219 HydrophobicContact CE1-CG1 3.37Å; F961-I1219 HydrophobicContact CE2-CG1 4.34Å; F961-I1219 HydrophobicContact CZ-CD1 4.16Å; F961-I1219 HydrophobicContact CZ-CG1 3.63Å; F961-I1219 CarbonylContact O-C 3.44Å; F961-I1219 VanDerWaalsContact O-CA 3.31Å; F961-I1219 WeakPolarHBondContact O-CA 3.36Å; F961-T1220 PolarHBondContact O-N 3.31Å; F961-T1220 PolarHBondContact O-OG1 3.45Å |
| 962 | P | 69.5 | Low | 65 | Low | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 149.4 | -178.8 | -27.5 | 44 | 0 | 0 | 0 | 116.1 | F942 E965 T1220 V1223 | F942-P962 HydrophobicContact CE2-CG 4.33Å; P962-E965 HydrophobicContact CB-CB 4.18Å; P962-E965 HydrophobicContact CB-CG 4.07Å; P962-E965 WeakPolarHBondContact CD-OE2 3.4Å; P962-E965 VanDerWaalsContact CG-OE2 3.22Å; P962-E965 WeakPolarHBondContact CG-OE2 3.31Å; P962-E965 PolarHBondContact O-N 3.45Å; P962-T1220 CarbonylContact C-O 3.48Å; P962-V1223 HydrophobicContact CB-CG2 3.51Å; P962-V1223 HydrophobicContact CG-CG2 3.55Å |
| 963 | L | 72.4 | Confident | 66.6 | Low | 23 Ų | 23 | 47.1 Ų | 47.1 | 12% | 0.12 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 132.2 | 167 | -153.4 | 69.4 | 0 | 0 | 0 | 110.5 | E965 A1090 K1091 Q1092 L1093 I1219 T1220 P1222 | L963-E965 VanDerWaalsContact C-N 3.26Å; L963-E965 PolarHBondContact O-N 3.32Å; L963-A1090 HydrophobicContact CD1-CB 4.44Å; L963-K1091 VanDerWaalsContact CD1-C 3.46Å; L963-K1091 WeakPolarHBondContact CD1-O 3.38Å; L963-Q1092 WeakPolarHBondContact CD1-O 3.28Å; L963-L1093 HydrophobicContact CD1-CD2 4.41Å; L963-L1093 HydrophobicContact CD2-CG 4.47Å; L963-I1219 HydrophobicContact CB-CG2 4.28Å; L963-I1219 HydrophobicContact CD1-CG2 3.51Å; L963-T1220 WeakPolarHBondContact CB-O 3.41Å; L963-T1220 PolarHBondContact N-O 3.29Å; L963-P1222 HydrophobicContact CB-CG 3.9Å; L963-P1222 HydrophobicContact CD2-CG 3.74Å; L963-P1222 HydrophobicContact CG-CG 4.28Å |
| 964 | G | 68.5 | Low | 68 | Low | 31 Ų | 31 | 48.2 Ų | 48.2 | 32% | 0.32 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -2.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | A1090 | G964-A1090 PolarHBondContact N-O 2.92Š|
| 965 | E | 72.2 | Confident | 69.9 | Low | 23 Ų | 23 | 39.3 Ų | 39.3 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -97.2 | 147.9 | 173.3 | -70.3 | -171.2 | 166.1 | 0 | 0 | 112.2 | I778 R806 P962 L963 | I778-E965 HydrophobicContact CG2-CB 4.22Å; R806-E965 IonicContact CZ-OE1 3.19Å; R806-E965 IonicContact CZ-OE2 2.76Å; R806-E965 IonicContact NE-OE1 3.01Å; R806-E965 PolarHBondContact NE-OE1 3.4Å; R806-E965 IonicContact NE-OE2 2.62Å; R806-E965 IonicContact NH1-OE2 2.7Å; R806-E965 IonicContact NH2-OE1 2.69Å; R806-E965 PolarHBondContact NH2-OE1 2.91Å; R806-E965 IonicContact NH2-OE2 3.27Å; R806-E965 PolarHBondContact NH2-OE2 2.9Å; P962-E965 HydrophobicContact CB-CB 4.18Å; P962-E965 HydrophobicContact CB-CG 4.07Å; P962-E965 WeakPolarHBondContact CD-OE2 3.4Å; P962-E965 VanDerWaalsContact CG-OE2 3.22Å; P962-E965 WeakPolarHBondContact CG-OE2 3.31Å; P962-E965 PolarHBondContact O-N 3.45Å; L963-E965 VanDerWaalsContact C-N 3.26Å; L963-E965 PolarHBondContact O-N 3.32Å |
| 966 | H | 73.6 | Confident | 71.3 | Confident | 28 Ų | 28 | 36.2 Ų | 36.2 | 13% | 0.13 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 123.7 | 179.5 | -74.5 | -106.8 | 0 | 0 | 0 | 111.9 | I778 G779 K780 T968 E1064 S1087 I1089 | I778-H966 CarbonylContact C-O 3.45Å; I778-H966 WeakPolarHBondContact CA-O 3.29Å; G779-H966 PolarHBondContact N-O 2.7Å; K780-H966 WeakPolarHBondContact CE-CE1 3.23Å; K780-H966 WeakPolarHBondContact CE-NE2 3.33Å; K780-H966 HydrophobicContact CG-CB 4.49Å; H966-T968 PolarHBondContact O-N 2.84Å; H966-E1064 IonicContact CE1-OE1 3.95Å; H966-E1064 IonicContact ND1-OE1 3.99Å; H966-S1087 PolarHBondContact ND1-OG 2.85Å; H966-I1089 VanDerWaalsContact CE1-CD1 3.41Å; H966-I1089 WeakPolarHBondContact CE1-CD1 3.23Å; H966-I1089 WeakPolarHBondContact NE2-CD1 3.19Å |
| 967 | L | 79.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 100 | 169.5 | -174 | 60.4 | 0 | 0 | 0 | 110.3 | I776 I778 F961 V969 S1087 I1088 I1098 W1217 | I776-L967 HydrophobicContact CG2-CD1 3.68Å; I776-L967 HydrophobicContact CG2-CG 4.33Å; I778-L967 HydrophobicContact CG1-CD1 4.32Å; F961-L967 HydrophobicContact CD1-CD2 4.05Å; F961-L967 HydrophobicContact CD2-CB 4.31Å; F961-L967 HydrophobicContact CE1-CD2 3.85Å; F961-L967 HydrophobicContact CE2-CB 4.16Å; F961-L967 HydrophobicContact CG-CD1 4.49Å; F961-L967 HydrophobicContact CZ-CB 4.31Å; F961-L967 HydrophobicContact CZ-CD2 4.24Å; L967-V969 PolarHBondContact O-N 3.39Å; L967-S1087 VanDerWaalsContact O-CA 3.26Å; L967-S1087 WeakPolarHBondContact O-CA 3.31Å; L967-I1088 PolarHBondContact N-O 2.99Å; L967-I1088 PolarHBondContact O-N 2.59Å; L967-I1098 HydrophobicContact CD2-CD1 3.9Å; L967-W1217 HydrophobicContact CD1-CD2 4.22Å; L967-W1217 HydrophobicContact CD1-CE3 3.88Å; L967-W1217 HydrophobicContact CD1-CZ3 4.04Å; L967-W1217 HydrophobicContact CD2-CD2 4.21Å; L967-W1217 HydrophobicContact CD2-CG 4.13Å |
| 968 | T | 78.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 81.7 | -177.6 | 1.8 | 0 | 0 | 0 | 0 | 119.4 | I776 I777 G779 H966 Q1085 L1086 S1087 | I776-T968 CarbonylContact C-O 3.41Å; I776-T968 WeakPolarHBondContact CA-O 3.21Å; I777-T968 PolarHBondContact N-O 3.41Å; I777-T968 WeakPolarHBondContact O-CA 3.24Å; I777-T968 PolarHBondContact O-N 3.32Å; G779-T968 WeakPolarHBondContact O-CB 3.28Å; G779-T968 PolarHBondContact O-OG1 2.86Å; H966-T968 PolarHBondContact O-N 2.84Å; T968-Q1085 HydrophobicContact CG2-CG 3.53Å; T968-L1086 WeakPolarHBondContact CG2-O 3.49Å; T968-S1087 WeakPolarHBondContact OG1-CB 3.48Å |
| 969 | V | 80.9 | Confident | 75.5 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.6 | 175.9 | -163.1 | 0 | 0 | 0 | 0 | 111.3 | F774 I776 L967 I971 L988 Q1085 L1086 I1098 | F774-V969 HydrophobicContact CE1-CG1 4.24Å; F774-V969 HydrophobicContact CE2-CG1 4.26Å; F774-V969 HydrophobicContact CZ-CG1 3.75Å; I776-V969 HydrophobicContact CG1-CG1 4.45Å; L967-V969 PolarHBondContact O-N 3.39Å; V969-I971 HydrophobicContact CG1-CD1 3.92Å; V969-I971 HydrophobicContact CG1-CG1 3.71Å; V969-L988 HydrophobicContact CB-CD1 3.98Å; V969-L988 HydrophobicContact CB-CD2 4.25Å; V969-L988 HydrophobicContact CG1-CD2 4.36Å; V969-L988 HydrophobicContact CG2-CD1 3.59Å; V969-L988 HydrophobicContact CG2-CD2 4.2Å; V969-Q1085 WeakPolarHBondContact O-CA 3.38Å; V969-L1086 PolarHBondContact N-O 3.41Å; V969-L1086 PolarHBondContact O-N 3.16Å; V969-I1098 HydrophobicContact CG2-CD1 3.83Å |
| 970 | R | 79.3 | Confident | 76.2 | Confident | 27 Ų | 27 | 19.4 Ų | 19.4 | 10% | 0.102 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.8 | 174 | -176.5 | 175.8 | 175.8 | -155.7 | -2.3 | 110.2 | K775 D800 Y1083 L1084 Q1085 | K775-R970 HydrophobicContact CB-CB 4.41Å; K775-R970 PolarHBondContact N-O 3.18Å; K775-R970 PolarHBondContact O-N 2.75Å; D800-R970 IonicContact OD1-CZ 3.59Å; D800-R970 IonicContact OD1-NH1 3.7Å; D800-R970 PolarHBondContact OD1-NH1 2.79Å; D800-R970 IonicContact OD1-NH2 2.67Å; R970-Y1083 HydrophobicContact CG-CD2 3.87Å; R970-Y1083 HydrophobicContact CG-CG 4.21Å; R970-Y1083 VanDerWaalsContact NE-CG 3.26Å; R970-Y1083 VanDerWaalsContact NH2-CD1 3.27Å; R970-L1084 WeakPolarHBondContact CA-O 3.24Å; R970-Q1085 HydrophobicContact CB-CG 4.49Å |
| 971 | I | 81.5 | Confident | 77 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 115 | -168.5 | -49.3 | 176.5 | 0 | 0 | 0 | 108.5 | I769 F774 V969 L973 L988 Y1083 L1084 L1101 F1197 | I769-I971 HydrophobicContact CG1-CG2 4.36Å; I769-I971 HydrophobicContact CG2-CG2 3.81Å; F774-I971 HydrophobicContact CD2-CG1 4.13Å; F774-I971 HydrophobicContact CD2-CG2 4.16Å; F774-I971 HydrophobicContact CE2-CD1 4.16Å; F774-I971 HydrophobicContact CE2-CG1 3.81Å; F774-I971 HydrophobicContact CE2-CG2 4.36Å; V969-I971 HydrophobicContact CG1-CD1 3.92Å; V969-I971 HydrophobicContact CG1-CG1 3.71Å; I971-L973 HydrophobicContact CG2-CD2 3.64Å; I971-L973 HydrophobicContact CG2-CG 4.36Å; I971-L988 HydrophobicContact CD1-CD2 4.3Å; I971-Y1083 CarbonylContact O-C 3.57Å; I971-Y1083 WeakPolarHBondContact O-CA 3.43Å; I971-L1084 PolarHBondContact N-O 3.09Å; I971-L1084 PolarHBondContact O-N 2.76Å; I971-L1101 HydrophobicContact CD1-CD1 3.81Å; I971-L1101 HydrophobicContact CD1-CD2 3.89Å; I971-L1101 HydrophobicContact CD1-CG 3.91Å; I971-F1197 HydrophobicContact CD1-CE1 4.37Å; I971-F1197 HydrophobicContact CD1-CZ 3.75Å |
| 972 | T | 78.5 | Confident | 77.6 | Confident | 12 Ų | 12 | 19 Ų | 19 | 7% | 0.074 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 123.9 | 173.5 | -61.3 | 0 | 0 | 0 | 0 | 109.6 | D770 N773 | D770-T972 HydrophobicContact CB-CG2 4.06Å; D770-T972 PolarHBondContact N-O 3.36Å; N773-T972 WeakPolarHBondContact CB-OG1 3.37Å |
| 973 | L | 79.9 | Confident | 78.2 | Confident | 7 Ų | 7 | 19.1 Ų | 19.1 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.1 | -177.7 | -59.8 | -178.2 | 0 | 0 | 0 | 109.7 | P767 I769 I971 F1069 I1071 R1082 L1084 | P767-L973 HydrophobicContact CB-CB 4.26Å; P767-L973 HydrophobicContact CG-CB 4.06Å; P767-L973 HydrophobicContact CG-CD1 3.91Å; P767-L973 HydrophobicContact CG-CD2 4.16Å; P767-L973 HydrophobicContact CG-CG 4.26Å; I769-L973 HydrophobicContact CG1-CD2 3.77Å; I971-L973 HydrophobicContact CG2-CD2 3.64Å; I971-L973 HydrophobicContact CG2-CG 4.36Å; L973-F1069 HydrophobicContact CD1-CE1 4.12Å; L973-I1071 HydrophobicContact CB-CD1 3.85Å; L973-I1071 HydrophobicContact CD1-CD1 4.05Å; L973-R1082 PolarHBondContact N-O 3.45Å; L973-R1082 VanDerWaalsContact N-O 3.16Å; L973-L1084 HydrophobicContact CD1-CB 3.86Å; L973-L1084 HydrophobicContact CD1-CD2 4.08Å; L973-L1084 HydrophobicContact CG-CB 4.37Å |
| 974 | I | 75.3 | Confident | 78.7 | Confident | 59 Ų | 59 | 18.7 Ų | 18.7 | 30% | 0.303 | 10% | 0.098 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.5 | 177.2 | -60.6 | 173.7 | 0 | 0 | 0 | 108.2 | P767 I768 D770 P976 | P767-I974 WeakPolarHBondContact CB-O 3.43Å; I768-I974 HydrophobicContact CB-CB 4.4Å; I768-I974 PolarHBondContact N-O 2.89Å; I768-I974 PolarHBondContact O-N 3.17Å; D770-I974 HydrophobicContact CB-CD1 4.1Å; D770-I974 HydrophobicContact CB-CG1 4.5Å; I974-P976 VanDerWaalsContact O-CD 3.25Å; I974-P976 WeakPolarHBondContact O-CD 3.27Å |
| 975 | N | 80.6 | Confident | 79.3 | Confident | 9 Ų | 9 | 20.3 Ų | 20.3 | 5% | 0.048 | 10% | 0.099 | C | C | . | . | trans | -89.9 | 107.9 | 165.9 | -179.8 | 3.1 | 0 | 0 | 0 | 109.3 | M977 I979 L981 I1071 L1072 | N975-M977 VanDerWaalsContact C-N 3.3Å; N975-M977 PolarHBondContact OD1-N 3.27Å; N975-M977 PolarHBondContact OD1-O 3.43Å; N975-I979 PolarHBondContact ND2-O 2.76Å; N975-L981 HydrophobicContact CB-CD1 4.33Å; N975-L981 WeakPolarHBondContact OD1-CD1 3.3Å; N975-I1071 HydrophobicContact CB-CB 4.22Å; N975-I1071 HydrophobicContact CB-CG2 3.66Å; N975-I1071 PolarHBondContact ND2-O 3.12Å; N975-L1072 WeakPolarHBondContact CB-O 3.13Å | ||
| 976 | P | 75.6 | Confident | 79.8 | Confident | 26 Ų | 26 | 19.4 Ų | 19.4 | 17% | 0.169 | 10% | 0.095 | C | C | . | . | trans | -81.1 | -5.8 | 179.2 | 35.4 | -38.6 | 0 | 0 | 0 | 113.9 | L766 I768 I974 | L766-P976 HydrophobicContact CD2-CG 3.26Å; I768-P976 HydrophobicContact CD1-CB 3.97Å; I768-P976 HydrophobicContact CD1-CG 3.92Å; I768-P976 HydrophobicContact CG1-CG 4.18Å; I974-P976 VanDerWaalsContact O-CD 3.25Å; I974-P976 WeakPolarHBondContact O-CD 3.27Å | ||
| 977 | M | 79.7 | Confident | 80.4 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -101.8 | 157 | -178.3 | -51.5 | -154.5 | 86.8 | 0 | 0 | 111.4 | L725 Q736 V740 L766 N975 I979 Y1073 | L725-M977 HydrophobicContact CD2-CE 3.71Å; L725-M977 HydrophobicContact CD2-SD 3.88Å; Q736-M977 HydrophobicContact CB-CE 3.68Å; Q736-M977 HydrophobicContact CG-CE 3.76Å; V740-M977 HydrophobicContact CG2-SD 3.9Å; L766-M977 HydrophobicContact CD1-CG 4.04Å; L766-M977 HydrophobicContact CD1-SD 3.59Å; L766-M977 VanDerWaalsContact CD1-SD 3.59Å; L766-M977 HydrophobicContact CD2-CG 4.23Å; N975-M977 VanDerWaalsContact C-N 3.3Å; N975-M977 PolarHBondContact OD1-N 3.27Å; N975-M977 PolarHBondContact OD1-O 3.43Å; M977-I979 HydrophobicContact CB-CD1 4.47Å; M977-I979 HydrophobicContact CB-CG1 3.77Å; M977-I979 PolarHBondContact O-N 3.4Å; M977-I979 HydrophobicContact SD-CD1 4.08Å; M977-I979 HydrophobicContact SD-CG1 4.37Å; M977-Y1073 WeakPolarHBondContact O-CB 3.11Å |
| 978 | R | 79.4 | Confident | 80.7 | Confident | 115 Ų | 115 | 21 Ų | 21 | 43% | 0.434 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -83.4 | 20 | 177.9 | -63 | 173.4 | 170.7 | 165.8 | -6.4 | 113.6 | R730 Q731 A733 | R730-R978 PolarHBondContact O-NH1 3.32Å; Q731-R978 PolarHBondContact O-NH1 3.38Å; A733-R978 HydrophobicContact CB-CB 4.04Å; A733-R978 VanDerWaalsContact CB-O 3.26Å; A733-R978 WeakPolarHBondContact CB-O 3.41Å |
| 979 | I | 80.4 | Confident | 80.9 | Confident | 7 Ų | 7 | 21.4 Ų | 21.4 | 4% | 0.036 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -125.6 | 144.1 | -177.3 | 54.9 | 175.5 | 0 | 0 | 0 | 109.9 | A733 Q736 L737 V740 N975 M977 L981 | A733-I979 HydrophobicContact CB-CG2 4.02Å; A733-I979 WeakPolarHBondContact O-CG2 3.41Å; Q736-I979 HydrophobicContact CB-CG2 4.43Å; L737-I979 HydrophobicContact CB-CG2 4.19Å; L737-I979 HydrophobicContact CD1-CD1 4.15Å; V740-I979 HydrophobicContact CB-CD1 4.13Å; V740-I979 HydrophobicContact CG2-CD1 3.65Å; N975-I979 PolarHBondContact ND2-O 2.76Å; M977-I979 HydrophobicContact CB-CD1 4.47Å; M977-I979 HydrophobicContact CB-CG1 3.77Å; M977-I979 PolarHBondContact O-N 3.4Å; M977-I979 HydrophobicContact SD-CD1 4.08Å; M977-I979 HydrophobicContact SD-CG1 4.37Å; I979-L981 HydrophobicContact CD1-CD2 4.46Å; I979-L981 HydrophobicContact CG1-CD2 4.35Å; I979-L981 PolarHBondContact O-N 2.93Å |
| 980 | P | 80.4 | Confident | 81 | Confident | 25 Ų | 25 | 21.8 Ų | 21.8 | 16% | 0.162 | 11% | 0.106 | C | C | . | . | trans | -67.8 | 129.9 | 174.3 | 29 | -34.5 | 0 | 0 | 0 | 110.5 | I1070 L1072 L1108 | P980-I1070 HydrophobicContact CB-CG2 4.43Å; P980-L1072 HydrophobicContact CB-CD2 4.07Å; P980-L1108 HydrophobicContact CB-CD1 4.42Å; P980-L1108 HydrophobicContact CG-CB 4.24Å; P980-L1108 HydrophobicContact CG-CD1 4.28Å | ||
| 981 | L | 81.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.9 | 175 | -58.1 | 177.3 | 0 | 0 | 0 | 109.5 | L766 N975 I979 F983 I1070 I1071 W1105 | L766-L981 HydrophobicContact CB-CD1 4.28Å; L766-L981 HydrophobicContact CD1-CD1 4.36Å; L766-L981 HydrophobicContact CD1-CD2 4.5Å; N975-L981 HydrophobicContact CB-CD1 4.33Å; N975-L981 WeakPolarHBondContact OD1-CD1 3.3Å; I979-L981 HydrophobicContact CD1-CD2 4.46Å; I979-L981 HydrophobicContact CG1-CD2 4.35Å; I979-L981 PolarHBondContact O-N 2.93Å; L981-F983 HydrophobicContact CB-CD2 4.43Å; L981-F983 HydrophobicContact CB-CE2 3.53Å; L981-F983 HydrophobicContact CB-CZ 3.95Å; L981-F983 HydrophobicContact CD1-CE2 4.28Å; L981-F983 HydrophobicContact CD1-CZ 4.12Å; L981-I1070 CarbonylContact O-C 3.59Å; L981-I1070 WeakPolarHBondContact O-CA 3.42Å; L981-I1071 PolarHBondContact N-O 3.49Å; L981-I1071 PolarHBondContact O-N 2.9Å; L981-W1105 HydrophobicContact CD2-CZ2 3.96Å |
| 982 | V | 81.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.6 | -179 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | T984 E1068 I1070 S1106 L1108 | V982-T984 HydrophobicContact CG1-CG2 4.42Å; V982-E1068 HydrophobicContact CG1-CG 3.62Å; V982-E1068 WeakPolarHBondContact CG1-OE1 3.22Å; V982-I1070 HydrophobicContact CG1-CG1 4.37Å; V982-I1070 HydrophobicContact CG2-CG1 4.16Å; V982-I1070 HydrophobicContact CG2-CG2 4.41Å; V982-S1106 PolarHBondContact N-O 3.32Å; V982-S1106 PolarHBondContact O-N 2.69Å; V982-S1106 PolarHBondContact O-OG 3.41Å; V982-L1108 HydrophobicContact CG2-CD1 3.78Å; V982-L1108 HydrophobicContact CG2-CG 3.74Å |
| 983 | F | 83.7 | Confident | 81.4 | Confident | 5 Ų | 5 | 23.2 Ų | 23.2 | 2% | 0.022 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123 | 177.9 | -59 | -87.6 | 0 | 0 | 0 | 109.1 | P767 L981 V986 E1068 F1069 I1071 F1103 E1104 W1105 | P767-F983 HydrophobicContact CB-CZ 4.32Å; P767-F983 VanDerWaalsContact CD-CZ 3.49Å; P767-F983 HydrophobicContact CG-CE1 4.41Å; P767-F983 HydrophobicContact CG-CE2 4.12Å; P767-F983 HydrophobicContact CG-CZ 3.8Å; L981-F983 HydrophobicContact CB-CD2 4.43Å; L981-F983 HydrophobicContact CB-CE2 3.53Å; L981-F983 HydrophobicContact CB-CZ 3.95Å; L981-F983 HydrophobicContact CD1-CE2 4.28Å; L981-F983 HydrophobicContact CD1-CZ 4.12Å; F983-V986 HydrophobicContact CB-CG2 3.55Å; F983-E1068 CarbonylContact O-C 3.56Å; F983-E1068 WeakPolarHBondContact O-CA 3.42Å; F983-F1069 PolarHBondContact N-O 3.49Å; F983-F1069 PolarHBondContact O-N 3.47Å; F983-I1071 HydrophobicContact CD2-CD1 3.99Å; F983-I1071 HydrophobicContact CD2-CG1 4.09Å; F983-I1071 HydrophobicContact CE2-CD1 3.58Å; F983-I1071 HydrophobicContact CE2-CG1 3.92Å; F983-F1103 AromaticContact CD1-CD2 3.7Å; F983-F1103 HydrophobicContact CD1-CD2 3.7Å; F983-F1103 AromaticContact CD1-CE2 3.97Å; F983-F1103 HydrophobicContact CD1-CE2 3.97Å; F983-F1103 HydrophobicContact CD1-CG 4.02Å; F983-F1103 HydrophobicContact CE1-CD2 4.18Å; F983-F1103 AromaticContact CE1-CE2 3.96Å; F983-F1103 HydrophobicContact CE1-CE2 3.96Å; F983-F1103 HydrophobicContact CE1-CZ 4.32Å; F983-E1104 CarbonylContact C-O 3.52Å; F983-E1104 WeakPolarHBondContact CA-O 3.13Å; F983-W1105 HydrophobicContact CD1-CB 3.99Å; F983-W1105 AromaticContact CD1-CD1 3.67Å; F983-W1105 HydrophobicContact CD1-CG 4.1Å; F983-W1105 HydrophobicContact CE1-CB 4.07Å; F983-W1105 AromaticContact CE1-CD1 3.34Å; F983-W1105 AromaticContact CE1-CG 3.8Å; F983-W1105 HydrophobicContact CE1-CG 3.8Å; F983-W1105 AromaticContact CZ-CD1 3.69Å; F983-W1105 HydrophobicContact CZ-CG 4.48Å |
| 984 | T | 81.4 | Confident | 81.1 | Confident | 15 Ų | 15 | 24 Ų | 24 | 9% | 0.092 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 158.2 | 176.5 | 53.7 | 0 | 0 | 0 | 0 | 111 | V982 V986 N1067 E1068 E1104 | V982-T984 HydrophobicContact CG1-CG2 4.42Å; T984-V986 PolarHBondContact O-N 2.92Å; T984-V986 VanDerWaalsContact O-N 3.14Å; T984-N1067 WeakPolarHBondContact CA-O 3.4Å; T984-N1067 WeakPolarHBondContact CB-O 3.27Å; T984-N1067 WeakPolarHBondContact CG2-O 3.36Å; T984-E1068 HydrophobicContact CG2-CB 4.27Å; T984-E1068 HydrophobicContact CG2-CG 4.15Å; T984-E1104 PolarHBondContact N-O 3.2Å; T984-E1104 PolarHBondContact O-N 3.38Å; T984-E1104 VanDerWaalsContact OG1-CB 3.27Å; T984-E1104 WeakPolarHBondContact OG1-CB 3.19Å |
| 985 | N | 81.3 | Confident | 80.8 | Confident | 64 Ų | 64 | 24 Ų | 24 | 34% | 0.342 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.4 | 40.3 | 177.3 | -66.9 | -40.7 | 0 | 0 | 0 | 113.9 | H987 I1065 I1066 N1067 E1104 | N985-H987 PolarHBondContact O-ND1 3.26Å; N985-I1065 HydrophobicContact CB-CG2 4.35Å; N985-I1066 WeakPolarHBondContact CA-O 3.27Å; N985-I1066 PolarHBondContact N-O 2.97Å; N985-N1067 PolarHBondContact N-O 3.35Å; N985-N1067 VanDerWaalsContact N-O 3.13Å; N985-E1104 PolarHBondContact ND2-OE2 3.45Å |
| 986 | V | 83.9 | Confident | 79.3 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.024 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 123.7 | -172.5 | -166.5 | 0 | 0 | 0 | 0 | 110.3 | F983 T984 I1065 I1066 F1069 L1084 L1086 F1103 | F983-V986 HydrophobicContact CB-CG2 3.55Å; T984-V986 PolarHBondContact O-N 2.92Å; T984-V986 VanDerWaalsContact O-N 3.14Å; V986-I1065 WeakPolarHBondContact O-CA 3.39Å; V986-I1066 HydrophobicContact CB-CB 4.34Å; V986-I1066 PolarHBondContact N-O 2.94Å; V986-I1066 PolarHBondContact O-N 2.98Å; V986-F1069 HydrophobicContact CG2-CB 4.46Å; V986-L1084 HydrophobicContact CG1-CD1 4.22Å; V986-L1084 HydrophobicContact CG1-CD2 3.7Å; V986-L1086 HydrophobicContact CG1-CD1 4.16Å; V986-L1086 WeakPolarHBondContact O-CD2 3.49Å; V986-F1103 HydrophobicContact CB-CB 4.34Å; V986-F1103 HydrophobicContact CG1-CB 4.18Å; V986-F1103 HydrophobicContact CG2-CB 4.04Å |
| 987 | H | 84.6 | Confident | 77.8 | Confident | 56 Ų | 56 | 30.5 Ų | 30.5 | 26% | 0.259 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 165.1 | -176.5 | 60.6 | -80 | 0 | 0 | 0 | 112.1 | N985 I1065 A1102 | N985-H987 PolarHBondContact O-ND1 3.26Å; H987-I1065 HydrophobicContact CB-CG1 4.21Å; H987-A1102 PolarHBondContact N-O 2.85Å; H987-A1102 PolarHBondContact ND1-O 3.28Å; H987-A1102 PolarHBondContact O-N 3.25Å; H987-A1102 VanDerWaalsContact O-O 3.11Å |
| 988 | L | 85.9 | Confident | 75.6 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138.8 | 177.6 | -72.7 | 161.1 | 0 | 0 | 0 | 111.3 | V969 I971 N1039 L1086 I1088 I1098 L1101 | V969-L988 HydrophobicContact CB-CD1 3.98Å; V969-L988 HydrophobicContact CB-CD2 4.25Å; V969-L988 HydrophobicContact CG1-CD2 4.36Å; V969-L988 HydrophobicContact CG2-CD1 3.59Å; V969-L988 HydrophobicContact CG2-CD2 4.2Å; I971-L988 HydrophobicContact CD1-CD2 4.3Å; L988-N1039 PolarHBondContact O-ND2 3.48Å; L988-L1086 HydrophobicContact CD1-CB 3.68Å; L988-L1086 WeakPolarHBondContact CD1-O 3.45Å; L988-L1086 HydrophobicContact CG-CB 3.87Å; L988-L1086 HydrophobicContact CG-CD1 4.15Å; L988-I1088 HydrophobicContact CB-CD1 3.89Å; L988-I1088 HydrophobicContact CB-CG1 4.28Å; L988-I1088 HydrophobicContact CD1-CD1 3.81Å; L988-I1088 HydrophobicContact CD1-CG1 3.84Å; L988-I1088 HydrophobicContact CG-CD1 4.49Å; L988-I1098 HydrophobicContact CD2-CG2 4.14Å; L988-L1101 HydrophobicContact CD2-CD2 3.86Å; L988-L1101 HydrophobicContact CG-CD2 4.4Å |
| 989 | L | 82.7 | Confident | 73.4 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 136.8 | 167.9 | -67.9 | 177.3 | 0 | 0 | 0 | 110.4 | N1039 E1040 I1098 T1099 G1100 A1102 K1194 L1196 | L989-N1039 WeakPolarHBondContact CA-OD1 3.42Å; L989-E1040 HydrophobicContact CB-CG 4.36Å; L989-E1040 HydrophobicContact CD2-CG 4.44Å; L989-I1098 CarbonylContact O-C 3.47Å; L989-I1098 WeakPolarHBondContact O-CA 3.5Å; L989-T1099 WeakPolarHBondContact CB-OG1 3.49Å; L989-T1099 PolarHBondContact O-N 3.28Å; L989-T1099 PolarHBondContact O-OG1 3.02Å; L989-G1100 PolarHBondContact N-O 3.03Å; L989-A1102 HydrophobicContact CD1-CB 4.05Å; L989-A1102 HydrophobicContact CD2-CB 3.69Å; L989-A1102 HydrophobicContact CG-CB 3.74Å; L989-K1194 HydrophobicContact CD1-CB 3.81Å; L989-K1194 HydrophobicContact CD1-CD 3.78Å; L989-K1194 HydrophobicContact CD1-CG 4.43Å; L989-L1196 HydrophobicContact CD1-CD2 4.18Å |
| 990 | W | 84.2 | Confident | 71.1 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 3% | 0.034 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 158.7 | -177.3 | 56.1 | -98 | 0 | 0 | 0 | 113.7 | F992 N1039 I1057 V1061 I1088 I1096 T1097 | W990-F992 HydrophobicContact CE3-CB 3.91Å; W990-F992 HydrophobicContact CZ3-CB 3.69Å; W990-N1039 HydrophobicContact CD2-CB 4.21Å; W990-N1039 HydrophobicContact CH2-CB 4.09Å; W990-N1039 HydrophobicContact CZ2-CB 3.72Å; W990-N1039 PolarHBondContact N-OD1 3.01Å; W990-N1039 PolarHBondContact NE1-ND2 3.46Å; W990-N1039 PolarHBondContact O-N 2.67Å; W990-N1039 VanDerWaalsContact O-N 3.09Å; W990-N1039 PolarHBondContact O-OD1 2.82Å; W990-N1039 VanDerWaalsContact O-OD1 3.11Å; W990-I1057 HydrophobicContact CH2-CG2 4.1Å; W990-V1061 HydrophobicContact CD2-CG1 4.18Å; W990-V1061 HydrophobicContact CE3-CG1 4.46Å; W990-V1061 HydrophobicContact CH2-CB 3.56Å; W990-V1061 HydrophobicContact CH2-CG1 3.94Å; W990-V1061 HydrophobicContact CH2-CG2 4.04Å; W990-V1061 HydrophobicContact CZ2-CB 3.63Å; W990-V1061 HydrophobicContact CZ2-CG1 3.54Å; W990-V1061 HydrophobicContact CZ2-CG2 4.49Å; W990-V1061 HydrophobicContact CZ3-CB 4.08Å; W990-V1061 HydrophobicContact CZ3-CG1 4.36Å; W990-V1061 HydrophobicContact CZ3-CG2 4.08Å; W990-I1088 HydrophobicContact CB-CD1 4.34Å; W990-I1088 HydrophobicContact CG-CD1 4.14Å; W990-I1096 HydrophobicContact CB-CG2 4.1Å; W990-T1097 CarbonylContact C-O 3.46Å; W990-T1097 WeakPolarHBondContact CA-O 3.36Å; W990-T1097 WeakPolarHBondContact CB-O 3.45Å |
| 991 | I | 83 | Confident | 68.5 | Low | 42 Ų | 42 | 48.7 Ų | 48.7 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.2 | 172.5 | -57.8 | 177.3 | 0 | 0 | 0 | 107.1 | N993 T1038 I1096 T1097 T1099 | I991-N993 WeakPolarHBondContact CG2-OD1 3.42Å; I991-T1038 HydrophobicContact CB-CG2 4.27Å; I991-T1038 HydrophobicContact CD1-CG2 4.47Å; I991-T1038 HydrophobicContact CG1-CG2 3.86Å; I991-T1038 HydrophobicContact CG2-CG2 4Å; I991-I1096 CarbonylContact O-C 3.58Å; I991-I1096 VanDerWaalsContact O-CA 3.23Å; I991-I1096 WeakPolarHBondContact O-CA 3.3Å; I991-T1097 PolarHBondContact N-O 3.15Å; I991-T1097 PolarHBondContact O-N 3.49Å; I991-T1099 HydrophobicContact CD1-CG2 3.89Å; I991-T1099 HydrophobicContact CG1-CG2 3.98Å |
| 992 | F | 83.7 | Confident | 65.9 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 124.4 | 178.9 | 174.4 | -122.3 | 0 | 0 | 0 | 110.8 | W990 L994 I1037 F1060 V1061 Q1092 L1093 Q1095 I1096 I1219 | W990-F992 HydrophobicContact CE3-CB 3.91Å; W990-F992 HydrophobicContact CZ3-CB 3.69Å; F992-L994 HydrophobicContact CE1-CD1 3.91Å; F992-L994 HydrophobicContact CZ-CD1 4.03Å; F992-I1037 HydrophobicContact CB-CB 4.49Å; F992-I1037 HydrophobicContact CD1-CB 4.39Å; F992-I1037 HydrophobicContact CD1-CD1 4.17Å; F992-I1037 PolarHBondContact N-O 2.85Å; F992-I1037 PolarHBondContact O-N 2.9Å; F992-F1060 HydrophobicContact CD1-CB 3.99Å; F992-F1060 HydrophobicContact CE1-CB 3.81Å; F992-F1060 HydrophobicContact CE1-CD1 4.09Å; F992-F1060 HydrophobicContact CE1-CG 4.24Å; F992-V1061 HydrophobicContact CB-CG2 4.08Å; F992-V1061 HydrophobicContact CD1-CG2 3.91Å; F992-V1061 HydrophobicContact CD2-CG2 4.27Å; F992-V1061 HydrophobicContact CE1-CG2 4.44Å; F992-V1061 HydrophobicContact CG-CG2 3.82Å; F992-Q1092 HydrophobicContact CE1-CB 4.42Å; F992-Q1092 HydrophobicContact CZ-CB 4.23Å; F992-Q1092 WeakPolarHBondContact CZ-O 3.47Å; F992-L1093 WeakPolarHBondContact CZ-O 3.2Å; F992-Q1095 CarbonylContact C-O 3.43Å; F992-Q1095 WeakPolarHBondContact CA-O 3.37Å; F992-I1096 HydrophobicContact CB-CG1 4.08Å; F992-I1096 HydrophobicContact CD2-CD1 4.46Å; F992-I1096 HydrophobicContact CD2-CG1 3.64Å; F992-I1096 HydrophobicContact CG-CG1 4.22Å; F992-I1219 HydrophobicContact CD2-CD1 3.94Å; F992-I1219 HydrophobicContact CE2-CD1 3.49Å; F992-I1219 VanDerWaalsContact CE2-CD1 3.49Å |
| 993 | N | 79.7 | Confident | 63.2 | Low | 27 Ų | 27 | 58.5 Ų | 58.5 | 14% | 0.144 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 111.4 | 179.7 | -49.6 | -15.6 | 0 | 0 | 0 | 108.4 | I991 I1035 H1036 G1094 Q1095 | I991-N993 WeakPolarHBondContact CG2-OD1 3.42Å; N993-I1035 WeakPolarHBondContact CA-O 3.31Å; N993-H1036 VanDerWaalsContact CG-CE1 3.44Å; N993-H1036 VanDerWaalsContact CG-ND1 3.3Å; N993-H1036 PolarHBondContact OD1-CE1 2.95Å; N993-H1036 PolarHBondContact OD1-ND1 3.17Å; N993-G1094 CarbonylContact O-C 3.35Å; N993-G1094 WeakPolarHBondContact O-CA 3.49Å; N993-Q1095 HydrophobicContact CB-CB 4.41Å; N993-Q1095 PolarHBondContact N-O 3.14Å; N993-Q1095 PolarHBondContact O-N 3.43Å |
| 994 | L | 75.1 | Confident | 60.3 | Low | 24 Ų | 24 | 63.8 Ų | 63.8 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 134.9 | -179.8 | -168.3 | 76.7 | 0 | 0 | 0 | 110.8 | F992 F1034 I1035 F1060 Q1092 | F992-L994 HydrophobicContact CE1-CD1 3.91Å; F992-L994 HydrophobicContact CZ-CD1 4.03Å; L994-F1034 WeakPolarHBondContact O-CD1 3.17Å; L994-I1035 HydrophobicContact CB-CB 4.07Å; L994-I1035 HydrophobicContact CD2-CB 4.38Å; L994-I1035 HydrophobicContact CD2-CD1 4Å; L994-I1035 HydrophobicContact CD2-CG1 4.44Å; L994-I1035 PolarHBondContact N-O 3.38Å; L994-F1060 HydrophobicContact CD1-CD1 4.13Å; L994-F1060 HydrophobicContact CD1-CE1 4.12Å; L994-Q1092 HydrophobicContact CD1-CB 4.27Å; L994-Q1092 HydrophobicContact CD1-CG 3.51Å |
| 995 | T | 67.7 | Low | 57.6 | Low | 59 Ų | 59 | 69.7 Ų | 69.7 | 36% | 0.362 | 41% | 0.408 | S | S | . | . | trans | -92.6 | 121.4 | 171.6 | 44.9 | 0 | 0 | 0 | 0 | 111.2 | S997 F1034 L1093 | T995-S997 PolarHBondContact O-N 2.81Å; T995-F1034 HydrophobicContact CG2-CE1 4.5Å; T995-L1093 PolarHBondContact N-O 3.17Å; T995-L1093 PolarHBondContact OG1-O 3.27Å | ||
| 996 | N | 50 | Low | 54.9 | Low | 91 Ų | 91 | 73 Ų | 73 | 49% | 0.487 | 43% | 0.43 | S | S | . | . | trans | -70.5 | 97.3 | 177.2 | -69.7 | 3 | 0 | 0 | 0 | 111.3 | Q1033 | N996-Q1033 PolarHBondContact ND2-O 2.7Å; N996-Q1033 PolarHBondContact OD1-O 3.07Å | ||
| 997 | S | 42.9 | Very low | 52.1 | Low | 81 Ų | 81 | 78.8 Ų | 78.8 | 57% | 0.566 | 46% | 0.461 | S | S | * | . | trans | -143.7 | 44.3 | 173.8 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | T995 | T995-S997 PolarHBondContact O-N 2.81Š| ||
| 998 | I | 34.9 | Very low | 49.2 | Very low | 103 Ų | 103 | 82.4 Ų | 82.4 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | trans | -140.6 | 63.4 | 178.3 | -44.1 | 179 | 0 | 0 | 0 | 110.8 | Q1092 | I998-Q1092 VanDerWaalsContact CD1-NE2 3.34Š| ||
| 999 | T | 32.7 | Very low | 46.2 | Very low | 124 Ų | 124 | 90 Ų | 90 | 76% | 0.761 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -140.4 | 35.2 | 164.8 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1000 | E | 31.2 | Very low | 43.4 | Very low | 182 Ų | 182 | 97.2 Ų | 97.2 | 85% | 0.85 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -165.4 | 137.3 | 163.2 | -112.3 | 162.9 | -135.2 | 0 | 0 | 109.8 | ||
| 1001 | S | 26.5 | Very low | 40.4 | Very low | 121 Ų | 121 | 101.5 Ų | 101.5 | 85% | 0.846 | 59% | 0.594 | S | S | * | * | trans | 58.9 | 72.1 | 178 | 65 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1002 | S | 27.2 | Very low | 37.5 | Very low | 91 Ų | 91 | 106.5 Ų | 106.5 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | trans | -138.9 | 40.2 | 164.5 | 70.7 | 0 | 0 | 0 | 0 | 114.6 | C1004 | S1002-C1004 PolarHBondContact O-N 3.35Š| ||
| 1003 | S | 24.8 | Very low | 34.7 | Very low | 115 Ų | 115 | 113.3 Ų | 113.3 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -87.6 | 53.7 | 169.3 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | I1005 | S1003-I1005 PolarHBondContact O-N 2.79Š| ||
| 1004 | C | 23.3 | Very low | 31.9 | Very low | 117 Ų | 117 | 118.6 Ų | 118.6 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | trans | -97.5 | 56 | -179.8 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | S1002 V1006 | S1002-C1004 PolarHBondContact O-N 3.35Å; C1004-V1006 PolarHBondContact O-N 3.29Å | ||
| 1005 | I | 24.7 | Very low | 29.4 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | trans | -70.8 | 124.3 | 166 | -58.1 | 176.6 | 0 | 0 | 0 | 107.2 | S1003 N1007 | S1003-I1005 PolarHBondContact O-N 2.79Å; I1005-N1007 VanDerWaalsContact C-N 3.29Å; I1005-N1007 WeakPolarHBondContact CG2-OD1 3.39Å; I1005-N1007 PolarHBondContact O-N 3.28Å | ||
| 1006 | V | 25.1 | Very low | 27.3 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -77.8 | 83.5 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | C1004 T1008 | C1004-V1006 PolarHBondContact O-N 3.29Å; V1006-T1008 PolarHBondContact O-N 3.04Å | ||
| 1007 | N | 25.2 | Very low | 26.1 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | trans | -71.2 | 106.4 | 176.4 | -77.5 | -9.4 | 0 | 0 | 0 | 110.8 | I1005 M1009 | I1005-N1007 VanDerWaalsContact C-N 3.29Å; I1005-N1007 WeakPolarHBondContact CG2-OD1 3.39Å; I1005-N1007 PolarHBondContact O-N 3.28Å; N1007-M1009 PolarHBondContact O-N 2.91Å | ||
| 1008 | T | 23.2 | Very low | 25.2 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -71.8 | 98 | 153 | 49.7 | 0 | 0 | 0 | 0 | 108.5 | V1006 | V1006-T1008 PolarHBondContact O-N 3.04Š| ||
| 1009 | M | 22.8 | Very low | 24.6 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -139.3 | 123.9 | 170.9 | -89.8 | -66.1 | 167 | 0 | 0 | 110.5 | N1007 | N1007-M1009 PolarHBondContact O-N 2.91Š| ||
| 1010 | D | 22.8 | Very low | 24.2 | Very low | 160 Ų | 160 | 134 Ų | 134 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -67.8 | 154 | 165.8 | -84.5 | -58.3 | 0 | 0 | 0 | 111.1 | N1012 | D1010-N1012 PolarHBondContact O-N 3.2Š| ||
| 1011 | S | 22.6 | Very low | 23.9 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -71.4 | 122.4 | 177.1 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1012 | N | 20.7 | Very low | 23.8 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | 173.2 | 124.7 | 120.2 | -87.1 | -35.4 | 0 | 0 | 0 | 112.9 | D1010 | D1010-N1012 PolarHBondContact O-N 3.2Š| |||
| 1013 | V | 26 | Very low | 24.4 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | -175.5 | 149.4 | 131.1 | 142.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1014 | N | 21.2 | Very low | 24.2 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -88.5 | 168.5 | -166.1 | -69.8 | -41.5 | 0 | 0 | 0 | 115.6 | ||||
| 1015 | N | 22.6 | Very low | 24.2 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | 105.6 | 143.8 | 134.1 | -83.6 | -10.2 | 0 | 0 | 0 | 121.9 | ||||
| 1016 | N | 24 | Very low | 24.1 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | trans | 83.8 | 85.2 | 150.8 | -64.3 | -11.6 | 0 | 0 | 0 | 121.1 | ||||
| 1017 | N | 22.9 | Very low | 24.1 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | 74.9 | 138.6 | 108.4 | -66.5 | -8.6 | 0 | 0 | 0 | 122.9 | |||||
| 1018 | N | 23.8 | Very low | 24.2 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 77.7 | 102 | 146.3 | -63.5 | -10 | 0 | 0 | 0 | 120.5 | ||||
| 1019 | N | 22.8 | Very low | 24.6 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | 37.6 | 120.7 | 116.7 | -54.4 | -7.7 | 0 | 0 | 0 | 118.8 | |||||
| 1020 | N | 25.4 | Very low | 25 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | -170.7 | 124.7 | 98.2 | -96.5 | -39.1 | 0 | 0 | 0 | 115.5 | |||||
| 1021 | N | 24.1 | Very low | 25.4 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | 31.9 | 105.1 | 133.5 | -63.2 | -20.6 | 0 | 0 | 0 | 121.7 | ||||
| 1022 | N | 24 | Very low | 26.1 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | 72.6 | 154.7 | 123.7 | -74.5 | -12.2 | 0 | 0 | 0 | 122.3 | |||||
| 1023 | P | 39.8 | Very low | 26.9 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -118.9 | 147.8 | -162.3 | 39.5 | -25.6 | 0 | 0 | 0 | 115.2 | ||||
| 1024 | S | 20.7 | Very low | 28 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | -169.5 | 118.5 | 153.2 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1025 | S | 23.8 | Very low | 29.6 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 74% | 0.738 | S | S | * | * | trans | 176.3 | 145.3 | 137.4 | 37.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1026 | H | 23 | Very low | 31.7 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 83% | 0.833 | 73% | 0.73 | S | S | * | * | trans | -95 | 149.9 | 165.2 | -74.1 | -68.6 | 0 | 0 | 0 | 109.7 | ||||
| 1027 | N | 25.2 | Very low | 33.9 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 86% | 0.861 | 70% | 0.703 | S | S | * | * | -171.4 | 169.1 | 125.3 | -97.8 | -33.2 | 0 | 0 | 0 | 113.4 | |||||
| 1028 | H | 27.3 | Very low | 36.2 | Very low | 172 Ų | 172 | 127.6 Ų | 127.6 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | trans | -77.7 | 143.2 | -169.1 | -75.5 | -104.8 | 0 | 0 | 0 | 115.6 | ||||
| 1029 | I | 31 | Very low | 38.7 | Very low | 157 Ų | 157 | 123 Ų | 123 | 81% | 0.805 | 66% | 0.655 | S | S | * | * | trans | -137.2 | 142.5 | 148.6 | -60.9 | -176.5 | 0 | 0 | 0 | 107.9 | ||||
| 1030 | N | 31.4 | Very low | 40.5 | Very low | 148 Ų | 148 | 118.7 Ų | 118.7 | 79% | 0.791 | 63% | 0.63 | S | S | * | * | trans | -92.1 | 133.4 | 178.5 | -70.7 | -25.6 | 0 | 0 | 0 | 111.4 | ||||
| 1031 | N | 31.6 | Very low | 41.5 | Very low | 133 Ų | 133 | 118.8 Ų | 118.8 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | trans | -136.2 | 115.1 | 172.5 | -88.5 | -21.8 | 0 | 0 | 0 | 110.3 | ||||
| 1032 | D | 36.4 | Very low | 42 | Very low | 129 Ų | 129 | 118.3 Ų | 118.3 | 69% | 0.69 | 63% | 0.626 | S | S | * | * | trans | -168 | 78 | 164.2 | -106.3 | -25.9 | 0 | 0 | 0 | 110.1 | F1034 | D1032-F1034 HydrophobicContact CB-CE2 4.34Å; D1032-F1034 WeakPolarHBondContact OD1-CE2 3.47Å | ||
| 1033 | Q | 38.6 | Very low | 42.2 | Very low | 164 Ų | 164 | 115 Ų | 115 | 77% | 0.766 | 62% | 0.616 | S | S | * | * | trans | -117.5 | 100 | 170.1 | -80.7 | -169.7 | -15.2 | 0 | 0 | 109.7 | N996 | N996-Q1033 PolarHBondContact ND2-O 2.7Å; N996-Q1033 PolarHBondContact OD1-O 3.07Å | ||
| 1034 | F | 47.8 | Very low | 41.5 | Very low | 109 Ų | 109 | 115.8 Ų | 115.8 | 48% | 0.478 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -78.8 | 130.3 | 179.9 | -66.8 | -91.6 | 0 | 0 | 0 | 111.4 | L994 T995 D1032 | L994-F1034 WeakPolarHBondContact O-CD1 3.17Å; T995-F1034 HydrophobicContact CG2-CE1 4.5Å; D1032-F1034 HydrophobicContact CB-CE2 4.34Å; D1032-F1034 WeakPolarHBondContact OD1-CE2 3.47Å |
| 1035 | I | 55.8 | Low | 41.8 | Very low | 93 Ų | 93 | 114.3 Ų | 114.3 | 48% | 0.477 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.4 | 118.6 | 173.6 | -53.5 | -178.9 | 0 | 0 | 0 | 108.8 | N993 L994 I1037 | N993-I1035 WeakPolarHBondContact CA-O 3.31Å; L994-I1035 HydrophobicContact CB-CB 4.07Å; L994-I1035 HydrophobicContact CD2-CB 4.38Å; L994-I1035 HydrophobicContact CD2-CD1 4Å; L994-I1035 HydrophobicContact CD2-CG1 4.44Å; L994-I1035 PolarHBondContact N-O 3.38Å; I1035-I1037 HydrophobicContact CG2-CD1 4.36Å; I1035-I1037 HydrophobicContact CG2-CG1 4Å |
| 1036 | H | 66 | Low | 42.2 | Very low | 125 Ų | 125 | 116.7 Ų | 116.7 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.9 | 172.8 | -74.3 | -85.3 | 0 | 0 | 0 | 110.4 | N993 | N993-H1036 VanDerWaalsContact CG-CE1 3.44Å; N993-H1036 VanDerWaalsContact CG-ND1 3.3Å; N993-H1036 PolarHBondContact OD1-CE1 2.95Å; N993-H1036 PolarHBondContact OD1-ND1 3.17Å |
| 1037 | I | 70.1 | Confident | 42.4 | Very low | 20 Ų | 20 | 117.3 Ų | 117.3 | 10% | 0.103 | 60% | 0.596 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.9 | 121.3 | -177.8 | -55.2 | -179.4 | 0 | 0 | 0 | 107.8 | F992 I1035 I1057 F1060 | F992-I1037 HydrophobicContact CB-CB 4.49Å; F992-I1037 HydrophobicContact CD1-CB 4.39Å; F992-I1037 HydrophobicContact CD1-CD1 4.17Å; F992-I1037 PolarHBondContact N-O 2.85Å; F992-I1037 PolarHBondContact O-N 2.9Å; I1035-I1037 HydrophobicContact CG2-CD1 4.36Å; I1035-I1037 HydrophobicContact CG2-CG1 4Å; I1037-I1057 HydrophobicContact CG2-CG1 4.42Å; I1037-I1057 HydrophobicContact CG2-CG2 4.43Å; I1037-F1060 HydrophobicContact CD1-CB 4.42Å; I1037-F1060 HydrophobicContact CD1-CD1 4.13Å; I1037-F1060 HydrophobicContact CD1-CD2 3.53Å; I1037-F1060 HydrophobicContact CD1-CE1 4.29Å; I1037-F1060 HydrophobicContact CD1-CE2 3.71Å; I1037-F1060 HydrophobicContact CD1-CG 3.76Å; I1037-F1060 HydrophobicContact CD1-CZ 4.09Å |
| 1038 | T | 72.2 | Confident | 42.9 | Very low | 35 Ų | 35 | 114.8 Ų | 114.8 | 22% | 0.215 | 59% | 0.591 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.2 | -179 | 61.5 | 0 | 0 | 0 | 0 | 111 | I991 E1040 | I991-T1038 HydrophobicContact CB-CG2 4.27Å; I991-T1038 HydrophobicContact CD1-CG2 4.47Å; I991-T1038 HydrophobicContact CG1-CG2 3.86Å; I991-T1038 HydrophobicContact CG2-CG2 4Å; T1038-E1040 PolarHBondContact OG1-O 3.33Å; T1038-E1040 VanDerWaalsContact OG1-O 3.07Å |
| 1039 | N | 74.8 | Confident | 43.3 | Very low | 34 Ų | 34 | 112.2 Ų | 112.2 | 18% | 0.182 | 58% | 0.575 | C | S | . | * | S | Bend | trans | -90.1 | -7.6 | 159 | 88.9 | -25.7 | 0 | 0 | 0 | 112.1 | L988 L989 W990 I1041 | L988-N1039 PolarHBondContact O-ND2 3.48Å; L989-N1039 WeakPolarHBondContact CA-OD1 3.42Å; W990-N1039 HydrophobicContact CD2-CB 4.21Å; W990-N1039 HydrophobicContact CH2-CB 4.09Å; W990-N1039 HydrophobicContact CZ2-CB 3.72Å; W990-N1039 PolarHBondContact N-OD1 3.01Å; W990-N1039 PolarHBondContact NE1-ND2 3.46Å; W990-N1039 PolarHBondContact O-N 2.67Å; W990-N1039 VanDerWaalsContact O-N 3.09Å; W990-N1039 PolarHBondContact O-OD1 2.82Å; W990-N1039 VanDerWaalsContact O-OD1 3.11Å; N1039-I1041 PolarHBondContact O-N 3.43Å; N1039-I1041 VanDerWaalsContact O-N 3.11Å |
| 1040 | E | 61.1 | Low | 43.8 | Very low | 43 Ų | 43 | 106.9 Ų | 106.9 | 20% | 0.201 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -57.8 | 116.5 | 158.9 | -63.2 | -148.6 | 158.6 | 0 | 0 | 108.6 | L989 T1038 L1042 T1099 | L989-E1040 HydrophobicContact CB-CG 4.36Å; L989-E1040 HydrophobicContact CD2-CG 4.44Å; T1038-E1040 PolarHBondContact OG1-O 3.33Å; T1038-E1040 VanDerWaalsContact OG1-O 3.07Å; E1040-L1042 PolarHBondContact O-N 2.88Å; E1040-T1099 WeakPolarHBondContact OE1-CB 3.46Å; E1040-T1099 PolarHBondContact OE1-OG1 3.31Å |
| 1041 | I | 46.6 | Very low | 44.7 | Very low | 145 Ų | 145 | 106.6 Ų | 106.6 | 74% | 0.744 | 55% | 0.546 | S | S | * | . | trans | -64.9 | 98.5 | 176.8 | -58.2 | 171.3 | 0 | 0 | 0 | 107.8 | N1039 S1043 | N1039-I1041 PolarHBondContact O-N 3.43Å; N1039-I1041 VanDerWaalsContact O-N 3.11Å; I1041-S1043 PolarHBondContact O-N 2.94Å; I1041-S1043 VanDerWaalsContact O-N 3.1Å | ||
| 1042 | L | 33.9 | Very low | 45.5 | Very low | 122 Ų | 122 | 105.3 Ų | 105.3 | 64% | 0.639 | 54% | 0.538 | S | S | * | . | trans | -69.7 | 101.4 | 166.2 | -75.4 | 170.5 | 0 | 0 | 0 | 107.4 | E1040 H1044 | E1040-L1042 PolarHBondContact O-N 2.88Å; L1042-H1044 VanDerWaalsContact C-N 3.33Å; L1042-H1044 PolarHBondContact O-N 3.01Å | ||
| 1043 | S | 28.5 | Very low | 46 | Very low | 89 Ų | 89 | 103.3 Ų | 103.3 | 62% | 0.622 | 53% | 0.525 | S | S | * | . | trans | -72.2 | 81.5 | -176 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | I1041 | I1041-S1043 PolarHBondContact O-N 2.94Å; I1041-S1043 VanDerWaalsContact O-N 3.1Å | ||
| 1044 | H | 26.1 | Very low | 46.8 | Very low | 130 Ų | 130 | 102 Ų | 102 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | trans | -149.6 | 147.4 | 170.8 | -97.8 | -44.4 | 0 | 0 | 0 | 113.3 | E758 L1042 | E758-H1044 IonicContact OE1-CD2 3.99Å; E758-H1044 IonicContact OE1-CE1 3.75Å; E758-H1044 IonicContact OE1-NE2 2.71Å; E758-H1044 PolarHBondContact OE1-NE2 3.37Å; L1042-H1044 VanDerWaalsContact C-N 3.33Å; L1042-H1044 PolarHBondContact O-N 3.01Å | ||
| 1045 | S | 27.4 | Very low | 47.4 | Very low | 85 Ų | 85 | 102.1 Ų | 102.1 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 67 | 150.7 | -176.7 | 83.5 | 0 | 0 | 0 | 0 | 116.3 | Y1047 | S1045-Y1047 PolarHBondContact O-N 2.95Š|
| 1046 | I | 30.6 | Very low | 47.5 | Very low | 176 Ų | 176 | 102.1 Ų | 102.1 | 90% | 0.903 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -83.6 | 6.2 | -179.4 | -74.2 | 168.8 | 0 | 0 | 0 | 111.9 | S1048 | I1046-S1048 PolarHBondContact O-N 3.19Š|
| 1047 | Y | 27.4 | Very low | 47.5 | Very low | 194 Ų | 194 | 97.3 Ų | 97.3 | 76% | 0.761 | 49% | 0.494 | S | S | * | . | trans | -72 | 98.5 | 166.7 | -60.5 | -69.3 | 0 | 0 | 0 | 109.2 | S1045 Y1049 | S1045-Y1047 PolarHBondContact O-N 2.95Å; Y1047-Y1049 PolarHBondContact O-N 3.12Å; Y1047-Y1049 VanDerWaalsContact O-N 3.12Å | ||
| 1048 | S | 35.8 | Very low | 47.4 | Very low | 107 Ų | 107 | 99.7 Ų | 99.7 | 75% | 0.748 | 51% | 0.506 | S | S | * | . | trans | -48.2 | 119.4 | 148.5 | 51.6 | 0 | 0 | 0 | 0 | 107.3 | I1046 S1050 | I1046-S1048 PolarHBondContact O-N 3.19Å; S1048-S1050 PolarHBondContact O-N 3.44Å | ||
| 1049 | Y | 36.1 | Very low | 47.2 | Very low | 118 Ų | 118 | 103.8 Ų | 103.8 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | trans | -45.7 | 120.5 | 169.5 | -80.7 | -109.2 | 0 | 0 | 0 | 107.4 | Y1047 Q1053 I1057 | Y1047-Y1049 PolarHBondContact O-N 3.12Å; Y1047-Y1049 VanDerWaalsContact O-N 3.12Å; Y1049-Q1053 HydrophobicContact CD1-CB 3.81Å; Y1049-Q1053 VanDerWaalsContact CD1-OE1 3.24Å; Y1049-I1057 HydrophobicContact CD1-CD1 4.24Å; Y1049-I1057 HydrophobicContact CE1-CD1 4Å | ||
| 1050 | S | 42.3 | Very low | 47.2 | Very low | 46 Ų | 46 | 104.4 Ų | 104.4 | 32% | 0.322 | 52% | 0.524 | S | S | . | . | trans | -59.2 | 155.8 | 174.5 | 59.6 | 0 | 0 | 0 | 0 | 108.9 | S1048 D1052 Q1053 Y1054 | S1048-S1050 PolarHBondContact O-N 3.44Å; S1050-D1052 WeakPolarHBondContact CB-OD2 3.41Å; S1050-D1052 PolarHBondContact O-N 3.35Å; S1050-D1052 PolarHBondContact OG-OD2 2.71Å; S1050-Q1053 PolarHBondContact O-N 2.94Å; S1050-Y1054 PolarHBondContact O-N 3.46Å | ||
| 1051 | H | 49.7 | Very low | 48 | Very low | 142 Ų | 142 | 102.3 Ų | 102.3 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -53.6 | -44.2 | -175.9 | -162.8 | 68.4 | 0 | 0 | 0 | 110.7 | Q1053 Y1054 E1055 | H1051-Q1053 VanDerWaalsContact C-N 3.35Å; H1051-Q1053 PolarHBondContact O-N 2.77Å; H1051-Y1054 CarbonylContact O-C 3.34Å; H1051-Y1054 WeakPolarHBondContact O-CA 3.3Å; H1051-Y1054 WeakPolarHBondContact O-CB 3.32Å; H1051-Y1054 PolarHBondContact O-N 2.69Å; H1051-E1055 PolarHBondContact O-N 2.78Å |
| 1052 | D | 49.1 | Very low | 49.5 | Very low | 105 Ų | 105 | 96.7 Ų | 96.7 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -52.3 | -36.2 | 170.9 | 15.2 | -65.7 | 0 | 0 | 0 | 114.9 | S1050 M1056 | S1050-D1052 WeakPolarHBondContact CB-OD2 3.41Å; S1050-D1052 PolarHBondContact O-N 3.35Å; S1050-D1052 PolarHBondContact OG-OD2 2.71Å; D1052-M1056 VanDerWaalsContact O-CB 3.26Å; D1052-M1056 WeakPolarHBondContact O-CB 3.45Å; D1052-M1056 PolarHBondContact O-N 2.94Å |
| 1053 | Q | 46.5 | Very low | 51.7 | Low | 88 Ų | 88 | 92.9 Ų | 92.9 | 41% | 0.411 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74.8 | -32.3 | 173.3 | -69.6 | -170.9 | 3.1 | 0 | 0 | 112.8 | Y1049 S1050 H1051 M1056 I1057 | Y1049-Q1053 HydrophobicContact CD1-CB 3.81Å; Y1049-Q1053 VanDerWaalsContact CD1-OE1 3.24Å; S1050-Q1053 PolarHBondContact O-N 2.94Å; H1051-Q1053 VanDerWaalsContact C-N 3.35Å; H1051-Q1053 PolarHBondContact O-N 2.77Å; Q1053-M1056 PolarHBondContact O-N 3.45Å; Q1053-I1057 WeakPolarHBondContact O-CG1 3.35Å; Q1053-I1057 PolarHBondContact O-N 3.39Å |
| 1054 | Y | 56 | Low | 54.1 | Low | 135 Ų | 135 | 91.6 Ų | 91.6 | 53% | 0.529 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.6 | -36.8 | 174.1 | -133.7 | -79.6 | 0 | 0 | 0 | 111.2 | S1050 H1051 N1058 | S1050-Y1054 PolarHBondContact O-N 3.46Å; H1051-Y1054 CarbonylContact O-C 3.34Å; H1051-Y1054 WeakPolarHBondContact O-CA 3.3Å; H1051-Y1054 WeakPolarHBondContact O-CB 3.32Å; H1051-Y1054 PolarHBondContact O-N 2.69Å; Y1054-N1058 WeakPolarHBondContact O-CB 3.3Å; Y1054-N1058 PolarHBondContact O-N 3.34Å; Y1054-N1058 PolarHBondContact O-ND2 3.12Å; Y1054-N1058 VanDerWaalsContact O-ND2 3.14Å |
| 1055 | E | 58.8 | Low | 56.6 | Low | 112 Ų | 112 | 90.1 Ų | 90.1 | 52% | 0.523 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 166.3 | -68.9 | -153.8 | 132.9 | 0 | 0 | 111.3 | H1051 I1057 N1058 Q1059 | H1051-E1055 PolarHBondContact O-N 2.78Å; E1055-I1057 PolarHBondContact O-N 2.98Å; E1055-N1058 CarbonylContact O-C 3.57Å; E1055-N1058 WeakPolarHBondContact O-CA 3.42Å; E1055-N1058 WeakPolarHBondContact O-CB 3.25Å; E1055-N1058 PolarHBondContact O-N 3.14Å; E1055-Q1059 WeakPolarHBondContact O-CG 3.22Å; E1055-Q1059 PolarHBondContact O-N 3.01Å |
| 1056 | M | 59.2 | Low | 59 | Low | 93 Ų | 93 | 88.2 Ų | 88.2 | 46% | 0.458 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 178.4 | -173.2 | -176.4 | 68.9 | 0 | 0 | 112.3 | D1052 Q1053 Q1059 F1060 | D1052-M1056 VanDerWaalsContact O-CB 3.26Å; D1052-M1056 WeakPolarHBondContact O-CB 3.45Å; D1052-M1056 PolarHBondContact O-N 2.94Å; Q1053-M1056 PolarHBondContact O-N 3.45Å; M1056-Q1059 WeakPolarHBondContact O-CB 3.18Å; M1056-Q1059 PolarHBondContact O-N 3.48Å; M1056-F1060 HydrophobicContact CG-CE2 4.12Å; M1056-F1060 WeakPolarHBondContact O-CD2 3.4Å; M1056-F1060 WeakPolarHBondContact O-CE2 3.4Å |
| 1057 | I | 65.2 | Low | 61.3 | Low | 25 Ų | 25 | 85 Ų | 85 | 13% | 0.128 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 173.1 | -67.3 | 168 | 0 | 0 | 0 | 110.4 | W990 I1037 Y1049 Q1053 E1055 Q1059 F1060 V1061 | W990-I1057 HydrophobicContact CH2-CG2 4.1Å; I1037-I1057 HydrophobicContact CG2-CG1 4.42Å; I1037-I1057 HydrophobicContact CG2-CG2 4.43Å; Y1049-I1057 HydrophobicContact CD1-CD1 4.24Å; Y1049-I1057 HydrophobicContact CE1-CD1 4Å; Q1053-I1057 WeakPolarHBondContact O-CG1 3.35Å; Q1053-I1057 PolarHBondContact O-N 3.39Å; E1055-I1057 PolarHBondContact O-N 2.98Å; I1057-Q1059 PolarHBondContact O-N 2.77Å; I1057-F1060 PolarHBondContact O-N 3.29Å; I1057-F1060 VanDerWaalsContact O-N 3.08Å; I1057-V1061 PolarHBondContact O-N 3.05Å |
| 1058 | N | 67.5 | Low | 63.8 | Low | 69 Ų | 69 | 78.9 Ų | 78.9 | 37% | 0.369 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -15.4 | 176.3 | -79.7 | -40.3 | 0 | 0 | 0 | 114.1 | Y1054 E1055 K1091 | Y1054-N1058 WeakPolarHBondContact O-CB 3.3Å; Y1054-N1058 PolarHBondContact O-N 3.34Å; Y1054-N1058 PolarHBondContact O-ND2 3.12Å; Y1054-N1058 VanDerWaalsContact O-ND2 3.14Å; E1055-N1058 CarbonylContact O-C 3.57Å; E1055-N1058 WeakPolarHBondContact O-CA 3.42Å; E1055-N1058 WeakPolarHBondContact O-CB 3.25Å; E1055-N1058 PolarHBondContact O-N 3.14Å; N1058-K1091 WeakPolarHBondContact O-CD 3.44Å; N1058-K1091 WeakPolarHBondContact O-CE 3.36Å; N1058-K1091 PolarHBondContact O-NZ 2.9Å |
| 1059 | Q | 68.1 | Low | 66 | Low | 122 Ų | 122 | 75.4 Ų | 75.4 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -71.2 | -28.6 | 171.2 | -70.1 | 167.2 | 19.2 | 0 | 0 | 112.2 | E1055 M1056 I1057 K1091 | E1055-Q1059 WeakPolarHBondContact O-CG 3.22Å; E1055-Q1059 PolarHBondContact O-N 3.01Å; M1056-Q1059 WeakPolarHBondContact O-CB 3.18Å; M1056-Q1059 PolarHBondContact O-N 3.48Å; I1057-Q1059 PolarHBondContact O-N 2.77Å; Q1059-K1091 WeakPolarHBondContact O-CB 3.24Å; Q1059-K1091 VanDerWaalsContact O-CD 3.31Å; Q1059-K1091 WeakPolarHBondContact O-CD 3.28Å |
| 1060 | F | 75.4 | Confident | 67.9 | Low | 46 Ų | 46 | 71.6 Ų | 71.6 | 20% | 0.202 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -90.3 | -42.6 | -177.8 | -62.9 | -75.1 | 0 | 0 | 0 | 113.5 | F992 L994 I1037 M1056 I1057 K1091 Q1092 | F992-F1060 HydrophobicContact CD1-CB 3.99Å; F992-F1060 HydrophobicContact CE1-CB 3.81Å; F992-F1060 HydrophobicContact CE1-CD1 4.09Å; F992-F1060 HydrophobicContact CE1-CG 4.24Å; L994-F1060 HydrophobicContact CD1-CD1 4.13Å; L994-F1060 HydrophobicContact CD1-CE1 4.12Å; I1037-F1060 HydrophobicContact CD1-CB 4.42Å; I1037-F1060 HydrophobicContact CD1-CD1 4.13Å; I1037-F1060 HydrophobicContact CD1-CD2 3.53Å; I1037-F1060 HydrophobicContact CD1-CE1 4.29Å; I1037-F1060 HydrophobicContact CD1-CE2 3.71Å; I1037-F1060 HydrophobicContact CD1-CG 3.76Å; I1037-F1060 HydrophobicContact CD1-CZ 4.09Å; M1056-F1060 HydrophobicContact CG-CE2 4.12Å; M1056-F1060 WeakPolarHBondContact O-CD2 3.4Å; M1056-F1060 WeakPolarHBondContact O-CE2 3.4Å; I1057-F1060 PolarHBondContact O-N 3.29Å; I1057-F1060 VanDerWaalsContact O-N 3.08Å; F1060-K1091 WeakPolarHBondContact O-CA 3.46Å; F1060-K1091 WeakPolarHBondContact O-CB 3.48Å; F1060-K1091 PolarHBondContact O-N 3.25Å; F1060-Q1092 HydrophobicContact CD1-CB 3.86Å; F1060-Q1092 HydrophobicContact CD1-CG 4.12Å; F1060-Q1092 HydrophobicContact CE1-CG 4.49Å; F1060-Q1092 PolarHBondContact O-N 2.86Å |
| 1061 | V | 78.9 | Confident | 69.6 | Low | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 137.5 | -174.6 | -178.6 | 0 | 0 | 0 | 0 | 109 | W990 F992 I1057 I1088 I1089 I1096 | W990-V1061 HydrophobicContact CD2-CG1 4.18Å; W990-V1061 HydrophobicContact CE3-CG1 4.46Å; W990-V1061 HydrophobicContact CH2-CB 3.56Å; W990-V1061 HydrophobicContact CH2-CG1 3.94Å; W990-V1061 HydrophobicContact CH2-CG2 4.04Å; W990-V1061 HydrophobicContact CZ2-CB 3.63Å; W990-V1061 HydrophobicContact CZ2-CG1 3.54Å; W990-V1061 HydrophobicContact CZ2-CG2 4.49Å; W990-V1061 HydrophobicContact CZ3-CB 4.08Å; W990-V1061 HydrophobicContact CZ3-CG1 4.36Å; W990-V1061 HydrophobicContact CZ3-CG2 4.08Å; F992-V1061 HydrophobicContact CB-CG2 4.08Å; F992-V1061 HydrophobicContact CD1-CG2 3.91Å; F992-V1061 HydrophobicContact CD2-CG2 4.27Å; F992-V1061 HydrophobicContact CE1-CG2 4.44Å; F992-V1061 HydrophobicContact CG-CG2 3.82Å; I1057-V1061 PolarHBondContact O-N 3.05Å; V1061-I1088 HydrophobicContact CG1-CG2 3.32Å; V1061-I1089 WeakPolarHBondContact CA-O 3.28Å; V1061-I1096 HydrophobicContact CG1-CD1 3.85Å; V1061-I1096 HydrophobicContact CG2-CD1 3.83Å; V1061-I1096 HydrophobicContact CG2-CG1 4.45Å |
| 1062 | S | 77.6 | Confident | 70.8 | Confident | 26 Ų | 26 | 66.5 Ų | 66.5 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124.2 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | I1089 K1091 | S1062-I1089 PolarHBondContact N-O 3.16Å; S1062-I1089 PolarHBondContact O-N 2.88Å; S1062-K1091 WeakPolarHBondContact OG-CE 3.3Å |
| 1063 | G | 79.7 | Confident | 71.8 | Confident | 43 Ų | 43 | 66.9 Ų | 66.9 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 153.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1087 | G1063-S1087 WeakPolarHBondContact CA-O 3.44Å |
| 1064 | E | 79.1 | Confident | 72.6 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 29% | 0.29 | 33% | 0.329 | S | S | . | . | trans | -73.6 | 145.7 | 166.4 | -74.6 | 168.4 | 164.3 | 0 | 0 | 110.9 | H966 L1086 S1087 | H966-E1064 IonicContact CE1-OE1 3.95Å; H966-E1064 IonicContact ND1-OE1 3.99Å; E1064-L1086 HydrophobicContact CB-CD2 4.44Å; E1064-S1087 PolarHBondContact N-O 2.84Å; E1064-S1087 PolarHBondContact OE1-OG 3.05Å; E1064-S1087 VanDerWaalsContact OE2-CB 3.27Å; E1064-S1087 WeakPolarHBondContact OE2-CB 3.48Å; E1064-S1087 PolarHBondContact OE2-N 2.95Å; E1064-S1087 PolarHBondContact OE2-OG 3.39Å | ||
| 1065 | I | 78.8 | Confident | 72.4 | Confident | 99 Ų | 99 | 63 Ų | 63 | 51% | 0.508 | 32% | 0.321 | S | S | . | . | trans | -120.6 | 130.2 | 173 | -53.4 | 178.6 | 0 | 0 | 0 | 107 | N985 V986 H987 | N985-I1065 HydrophobicContact CB-CG2 4.35Å; V986-I1065 WeakPolarHBondContact O-CA 3.39Å; H987-I1065 HydrophobicContact CB-CG1 4.21Å | ||
| 1066 | I | 77.7 | Confident | 72 | Confident | 45 Ų | 45 | 66.7 Ų | 66.7 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 114 | 172.2 | -71.4 | 168.4 | 0 | 0 | 0 | 108.5 | N985 V986 E1068 F1069 L1084 Q1085 L1086 | N985-I1066 WeakPolarHBondContact CA-O 3.27Å; N985-I1066 PolarHBondContact N-O 2.97Å; V986-I1066 HydrophobicContact CB-CB 4.34Å; V986-I1066 PolarHBondContact N-O 2.94Å; V986-I1066 PolarHBondContact O-N 2.98Å; I1066-E1068 WeakPolarHBondContact CG2-O 3.43Å; I1066-E1068 PolarHBondContact O-N 2.66Å; I1066-F1069 HydrophobicContact CG2-CB 3.98Å; I1066-L1084 HydrophobicContact CD1-CD1 3.66Å; I1066-Q1085 WeakPolarHBondContact CD1-O 3.32Å; I1066-L1086 HydrophobicContact CB-CD2 4.34Å; I1066-L1086 HydrophobicContact CD1-CD2 3.59Å; I1066-L1086 HydrophobicContact CD1-CG 4.01Å; I1066-L1086 HydrophobicContact CG1-CD2 3.68Å |
| 1067 | N | 78.6 | Confident | 71.3 | Confident | 109 Ų | 109 | 70.3 Ų | 70.3 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | -41.9 | -173.4 | -66.8 | 3 | 0 | 0 | 0 | 113 | T984 N985 | T984-N1067 WeakPolarHBondContact CA-O 3.4Å; T984-N1067 WeakPolarHBondContact CB-O 3.27Å; T984-N1067 WeakPolarHBondContact CG2-O 3.36Å; N985-N1067 PolarHBondContact N-O 3.35Å; N985-N1067 VanDerWaalsContact N-O 3.13Å |
| 1068 | E | 80.6 | Confident | 70.3 | Confident | 64 Ų | 64 | 73.7 Ų | 73.7 | 30% | 0.299 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 136.4 | 174 | -170 | 159 | 150.1 | 0 | 0 | 111 | V982 F983 T984 I1066 I1070 R1188 | V982-E1068 HydrophobicContact CG1-CG 3.62Å; V982-E1068 WeakPolarHBondContact CG1-OE1 3.22Å; F983-E1068 CarbonylContact O-C 3.56Å; F983-E1068 WeakPolarHBondContact O-CA 3.42Å; T984-E1068 HydrophobicContact CG2-CB 4.27Å; T984-E1068 HydrophobicContact CG2-CG 4.15Å; I1066-E1068 WeakPolarHBondContact CG2-O 3.43Å; I1066-E1068 PolarHBondContact O-N 2.66Å; E1068-I1070 HydrophobicContact CG-CG1 4.37Å; E1068-R1188 IonicContact OE1-CZ 3.86Å; E1068-R1188 IonicContact OE1-NH1 3.9Å; E1068-R1188 IonicContact OE1-NH2 3.58Å; E1068-R1188 PolarHBondContact OE1-NH2 3.16Å; E1068-R1188 IonicContact OE2-CZ 2.68Å; E1068-R1188 IonicContact OE2-NH1 3.79Å; E1068-R1188 PolarHBondContact OE2-NH1 2.96Å; E1068-R1188 IonicContact OE2-NH2 3.9Å; E1068-R1188 PolarHBondContact OE2-NH2 3.18Å |
| 1069 | F | 80.5 | Confident | 69 | Low | 34 Ų | 34 | 80.6 Ų | 80.6 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 114.8 | 179.6 | -175 | -102.2 | 0 | 0 | 0 | 110 | L973 F983 V986 I1066 I1071 R1082 L1084 | L973-F1069 HydrophobicContact CD1-CE1 4.12Å; F983-F1069 PolarHBondContact N-O 3.49Å; F983-F1069 PolarHBondContact O-N 3.47Å; V986-F1069 HydrophobicContact CG2-CB 4.46Å; I1066-F1069 HydrophobicContact CG2-CB 3.98Å; F1069-I1071 HydrophobicContact CD1-CD1 4.18Å; F1069-I1071 HydrophobicContact CD1-CG1 3.84Å; F1069-I1071 HydrophobicContact CE1-CD1 3.78Å; F1069-I1071 HydrophobicContact CE1-CG1 3.61Å; F1069-R1082 HydrophobicContact CZ-CB 4.19Å; F1069-L1084 HydrophobicContact CD1-CD1 4.07Å; F1069-L1084 HydrophobicContact CD2-CD1 3.89Å; F1069-L1084 HydrophobicContact CE1-CB 4.34Å; F1069-L1084 HydrophobicContact CE1-CD1 4.19Å; F1069-L1084 HydrophobicContact CE2-CD1 4.03Å; F1069-L1084 HydrophobicContact CG-CD1 3.91Å; F1069-L1084 HydrophobicContact CZ-CB 4.13Å; F1069-L1084 HydrophobicContact CZ-CD1 4.17Å |
| 1070 | I | 78 | Confident | 68.1 | Low | 38 Ų | 38 | 77.8 Ų | 77.8 | 20% | 0.195 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.2 | -175.6 | -52.1 | -178.3 | 0 | 0 | 0 | 110.3 | P980 L981 V982 E1068 L1072 R1082 | P980-I1070 HydrophobicContact CB-CG2 4.43Å; L981-I1070 CarbonylContact O-C 3.59Å; L981-I1070 WeakPolarHBondContact O-CA 3.42Å; V982-I1070 HydrophobicContact CG1-CG1 4.37Å; V982-I1070 HydrophobicContact CG2-CG1 4.16Å; V982-I1070 HydrophobicContact CG2-CG2 4.41Å; E1068-I1070 HydrophobicContact CG-CG1 4.37Å; I1070-L1072 HydrophobicContact CG2-CD2 4.28Å; I1070-R1082 WeakPolarHBondContact O-CD 3.49Å; I1070-R1082 PolarHBondContact O-NH1 2.67Å |
| 1071 | I | 76.6 | Confident | 66.9 | Low | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.015 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 111.4 | 175 | -38.6 | -176 | 0 | 0 | 0 | 110 | P767 L973 N975 L981 F983 F1069 | P767-I1071 HydrophobicContact CB-CD1 3.95Å; P767-I1071 HydrophobicContact CG-CD1 3.87Å; L973-I1071 HydrophobicContact CB-CD1 3.85Å; L973-I1071 HydrophobicContact CD1-CD1 4.05Å; N975-I1071 HydrophobicContact CB-CB 4.22Å; N975-I1071 HydrophobicContact CB-CG2 3.66Å; N975-I1071 PolarHBondContact ND2-O 3.12Å; L981-I1071 PolarHBondContact N-O 3.49Å; L981-I1071 PolarHBondContact O-N 2.9Å; F983-I1071 HydrophobicContact CD2-CD1 3.99Å; F983-I1071 HydrophobicContact CD2-CG1 4.09Å; F983-I1071 HydrophobicContact CE2-CD1 3.58Å; F983-I1071 HydrophobicContact CE2-CG1 3.92Å; F1069-I1071 HydrophobicContact CD1-CD1 4.18Å; F1069-I1071 HydrophobicContact CD1-CG1 3.84Å; F1069-I1071 HydrophobicContact CE1-CD1 3.78Å; F1069-I1071 HydrophobicContact CE1-CG1 3.61Å |
| 1072 | L | 74.5 | Confident | 66.2 | Low | 78 Ų | 78 | 83.1 Ų | 83.1 | 41% | 0.408 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 165.5 | 172.4 | -56.2 | -177.9 | 0 | 0 | 0 | 110.9 | N975 P980 I1070 | N975-L1072 WeakPolarHBondContact CB-O 3.13Å; P980-L1072 HydrophobicContact CB-CD2 4.07Å; I1070-L1072 HydrophobicContact CG2-CD2 4.28Å |
| 1073 | Y | 70 | Confident | 65.9 | Low | 114 Ų | 114 | 85.3 Ų | 85.3 | 45% | 0.447 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 147.9 | 178.6 | 73.1 | -84.3 | 0 | 0 | 0 | 111.7 | M977 T1075 | M977-Y1073 WeakPolarHBondContact O-CB 3.11Å; Y1073-T1075 HydrophobicContact CD2-CG2 4.19Å; Y1073-T1075 HydrophobicContact CE2-CG2 3.49Å; Y1073-T1075 VanDerWaalsContact CE2-CG2 3.49Å; Y1073-T1075 PolarHBondContact O-N 3.08Å |
| 1074 | E | 63.4 | Low | 65.9 | Low | 81 Ų | 81 | 83.3 Ų | 83.3 | 38% | 0.379 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 128.3 | 173.1 | -66.6 | -158.2 | 135.1 | 0 | 0 | 110.8 | R1079 L1080 | E1074-R1079 WeakPolarHBondContact OE1-CA 3.41Å; E1074-L1080 PolarHBondContact OE1-N 3.32Å |
| 1075 | T | 52.9 | Low | 66.1 | Low | 60 Ų | 60 | 81.9 Ų | 81.9 | 37% | 0.368 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -95.2 | 153.1 | 167.3 | 53.9 | 0 | 0 | 0 | 0 | 109.3 | Y1073 L1077 K1078 | Y1073-T1075 HydrophobicContact CD2-CG2 4.19Å; Y1073-T1075 HydrophobicContact CE2-CG2 3.49Å; Y1073-T1075 VanDerWaalsContact CE2-CG2 3.49Å; Y1073-T1075 PolarHBondContact O-N 3.08Å; T1075-L1077 PolarHBondContact O-N 3.25Å; T1075-K1078 CarbonylContact O-C 3.57Å; T1075-K1078 PolarHBondContact O-N 2.99Å |
| 1076 | L | 50.5 | Low | 66.2 | Low | 190 Ų | 190 | 77.3 Ų | 77.3 | 100% | 0.995 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -11.2 | 179.6 | -89.3 | 164.1 | 0 | 0 | 0 | 115.2 | ||
| 1077 | L | 43.2 | Very low | 66.3 | Low | 168 Ų | 168 | 75.2 Ų | 75.2 | 88% | 0.88 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -9.7 | 177.7 | -77.2 | 159 | 0 | 0 | 0 | 113.8 | T1075 | T1075-L1077 PolarHBondContact O-N 3.25Š|
| 1078 | K | 44.4 | Very low | 66.5 | Low | 97 Ų | 97 | 70.1 Ų | 70.1 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -146 | 101.7 | -176 | -62.3 | -171.5 | -179.5 | -171.8 | 0 | 111.8 | Q794 T1075 L1080 | Q794-K1078 VanDerWaalsContact OE1-CE 3.27Å; T1075-K1078 CarbonylContact O-C 3.57Å; T1075-K1078 PolarHBondContact O-N 2.99Å; K1078-L1080 HydrophobicContact CB-CD1 4.06Å; K1078-L1080 HydrophobicContact CB-CG 4.11Å; K1078-L1080 HydrophobicContact CD-CD1 4.23Å; K1078-L1080 PolarHBondContact O-N 3.45Å; K1078-L1080 VanDerWaalsContact O-N 3.12Å |
| 1079 | R | 41.4 | Very low | 66.6 | Low | 214 Ų | 214 | 68.9 Ų | 68.9 | 81% | 0.808 | 32% | 0.324 | S | S | * | . | trans | -70.8 | 94.7 | 161.5 | -83.3 | -176.4 | 172.4 | 165.4 | -1.1 | 109.4 | E1074 | E1074-R1079 WeakPolarHBondContact OE1-CA 3.41Š| ||
| 1080 | L | 48.5 | Very low | 66.6 | Low | 63 Ų | 63 | 67.2 Ų | 67.2 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | trans | -105.2 | 60 | 178.3 | -76 | 167.7 | 0 | 0 | 0 | 110 | L797 E1074 K1078 R1082 | L797-L1080 HydrophobicContact CD2-CD2 4.33Å; E1074-L1080 PolarHBondContact OE1-N 3.32Å; K1078-L1080 HydrophobicContact CB-CD1 4.06Å; K1078-L1080 HydrophobicContact CB-CG 4.11Å; K1078-L1080 HydrophobicContact CD-CD1 4.23Å; K1078-L1080 PolarHBondContact O-N 3.45Å; K1078-L1080 VanDerWaalsContact O-N 3.12Å; L1080-R1082 VanDerWaalsContact C-N 3.34Å; L1080-R1082 PolarHBondContact O-N 3.03Å | ||
| 1081 | S | 50.3 | Low | 66.7 | Low | 48 Ų | 48 | 70.1 Ų | 70.1 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | trans | -65.5 | 88.8 | 176.6 | 60.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1082 | R | 63.1 | Low | 66.9 | Low | 110 Ų | 110 | 73 Ų | 73 | 42% | 0.415 | 34% | 0.341 | S | S | . | . | trans | -67 | 133.2 | 175 | -72.1 | -172.4 | 170.9 | -166.8 | -7.2 | 109.7 | L973 F1069 I1070 L1080 | L973-R1082 PolarHBondContact N-O 3.45Å; L973-R1082 VanDerWaalsContact N-O 3.16Å; F1069-R1082 HydrophobicContact CZ-CB 4.19Å; I1070-R1082 WeakPolarHBondContact O-CD 3.49Å; I1070-R1082 PolarHBondContact O-NH1 2.67Å; L1080-R1082 VanDerWaalsContact C-N 3.34Å; L1080-R1082 PolarHBondContact O-N 3.03Å | ||
| 1083 | Y | 73 | Confident | 67 | Low | 72 Ų | 72 | 70.4 Ų | 70.4 | 28% | 0.282 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.2 | 174.3 | 55 | -91.3 | 0 | 0 | 0 | 109.8 | R970 I971 | R970-Y1083 HydrophobicContact CG-CD2 3.87Å; R970-Y1083 HydrophobicContact CG-CG 4.21Å; R970-Y1083 VanDerWaalsContact NE-CG 3.26Å; R970-Y1083 VanDerWaalsContact NH2-CD1 3.27Å; I971-Y1083 CarbonylContact O-C 3.57Å; I971-Y1083 WeakPolarHBondContact O-CA 3.43Å |
| 1084 | L | 79.3 | Confident | 67.5 | Low | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 138.3 | 168.1 | -175.2 | 71.4 | 0 | 0 | 0 | 108.1 | R970 I971 L973 V986 I1066 F1069 L1086 L1101 | R970-L1084 WeakPolarHBondContact CA-O 3.24Å; I971-L1084 PolarHBondContact N-O 3.09Å; I971-L1084 PolarHBondContact O-N 2.76Å; L973-L1084 HydrophobicContact CD1-CB 3.86Å; L973-L1084 HydrophobicContact CD1-CD2 4.08Å; L973-L1084 HydrophobicContact CG-CB 4.37Å; V986-L1084 HydrophobicContact CG1-CD1 4.22Å; V986-L1084 HydrophobicContact CG1-CD2 3.7Å; I1066-L1084 HydrophobicContact CD1-CD1 3.66Å; F1069-L1084 HydrophobicContact CD1-CD1 4.07Å; F1069-L1084 HydrophobicContact CD2-CD1 3.89Å; F1069-L1084 HydrophobicContact CE1-CB 4.34Å; F1069-L1084 HydrophobicContact CE1-CD1 4.19Å; F1069-L1084 HydrophobicContact CE2-CD1 4.03Å; F1069-L1084 HydrophobicContact CG-CD1 3.91Å; F1069-L1084 HydrophobicContact CZ-CB 4.13Å; F1069-L1084 HydrophobicContact CZ-CD1 4.17Å; L1084-L1086 HydrophobicContact CD2-CD1 3.77Å; L1084-L1086 HydrophobicContact CD2-CG 4.46Å; L1084-L1086 HydrophobicContact CG-CD1 4.11Å; L1084-L1086 HydrophobicContact CG-CG 4.27Å; L1084-L1101 HydrophobicContact CD2-CD1 3.8Å; L1084-L1101 HydrophobicContact CD2-CD2 3.8Å; L1084-L1101 HydrophobicContact CD2-CG 4.48Å |
| 1085 | Q | 81.8 | Confident | 68.4 | Low | 32 Ų | 32 | 63.8 Ų | 63.8 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 116.3 | 175.7 | -173.4 | 165.3 | -17.3 | 0 | 0 | 110.2 | T968 V969 R970 I1066 | T968-Q1085 HydrophobicContact CG2-CG 3.53Å; V969-Q1085 WeakPolarHBondContact O-CA 3.38Å; R970-Q1085 HydrophobicContact CB-CG 4.49Å; I1066-Q1085 WeakPolarHBondContact CD1-O 3.32Å |
| 1086 | L | 82.4 | Confident | 69.9 | Low | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 136.3 | -175 | -75.8 | 167.3 | 0 | 0 | 0 | 109.5 | T968 V969 V986 L988 E1064 I1066 L1084 L1101 | T968-L1086 WeakPolarHBondContact CG2-O 3.49Å; V969-L1086 PolarHBondContact N-O 3.41Å; V969-L1086 PolarHBondContact O-N 3.16Å; V986-L1086 HydrophobicContact CG1-CD1 4.16Å; V986-L1086 WeakPolarHBondContact O-CD2 3.49Å; L988-L1086 HydrophobicContact CD1-CB 3.68Å; L988-L1086 WeakPolarHBondContact CD1-O 3.45Å; L988-L1086 HydrophobicContact CG-CB 3.87Å; L988-L1086 HydrophobicContact CG-CD1 4.15Å; E1064-L1086 HydrophobicContact CB-CD2 4.44Å; I1066-L1086 HydrophobicContact CB-CD2 4.34Å; I1066-L1086 HydrophobicContact CD1-CD2 3.59Å; I1066-L1086 HydrophobicContact CD1-CG 4.01Å; I1066-L1086 HydrophobicContact CG1-CD2 3.68Å; L1084-L1086 HydrophobicContact CD2-CD1 3.77Å; L1084-L1086 HydrophobicContact CD2-CG 4.46Å; L1084-L1086 HydrophobicContact CG-CD1 4.11Å; L1084-L1086 HydrophobicContact CG-CG 4.27Å; L1086-L1101 HydrophobicContact CD1-CD2 3.63Å |
| 1087 | S | 79.4 | Confident | 71.4 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 157.5 | 177.9 | 77.8 | 0 | 0 | 0 | 0 | 114.8 | H966 L967 T968 G1063 E1064 | H966-S1087 PolarHBondContact ND1-OG 2.85Å; L967-S1087 VanDerWaalsContact O-CA 3.26Å; L967-S1087 WeakPolarHBondContact O-CA 3.31Å; T968-S1087 WeakPolarHBondContact OG1-CB 3.48Å; G1063-S1087 WeakPolarHBondContact CA-O 3.44Å; E1064-S1087 PolarHBondContact N-O 2.84Å; E1064-S1087 PolarHBondContact OE1-OG 3.05Å; E1064-S1087 VanDerWaalsContact OE2-CB 3.27Å; E1064-S1087 WeakPolarHBondContact OE2-CB 3.48Å; E1064-S1087 PolarHBondContact OE2-N 2.95Å; E1064-S1087 PolarHBondContact OE2-OG 3.39Å |
| 1088 | I | 83.5 | Confident | 73.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.8 | 175.6 | -60 | 165.7 | 0 | 0 | 0 | 108.7 | L967 L988 W990 V1061 I1096 I1098 | L967-I1088 PolarHBondContact N-O 2.99Å; L967-I1088 PolarHBondContact O-N 2.59Å; L988-I1088 HydrophobicContact CB-CD1 3.89Å; L988-I1088 HydrophobicContact CB-CG1 4.28Å; L988-I1088 HydrophobicContact CD1-CD1 3.81Å; L988-I1088 HydrophobicContact CD1-CG1 3.84Å; L988-I1088 HydrophobicContact CG-CD1 4.49Å; W990-I1088 HydrophobicContact CB-CD1 4.34Å; W990-I1088 HydrophobicContact CG-CD1 4.14Å; V1061-I1088 HydrophobicContact CG1-CG2 3.32Å; I1088-I1096 HydrophobicContact CG2-CD1 4.03Å; I1088-I1098 HydrophobicContact CD1-CD1 4.42Å; I1088-I1098 HydrophobicContact CD1-CG1 4.14Å |
| 1089 | I | 81.3 | Confident | 74.8 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 20% | 0.195 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.3 | 170.4 | -40.1 | 173.1 | 0 | 0 | 0 | 108.6 | H966 V1061 S1062 | H966-I1089 VanDerWaalsContact CE1-CD1 3.41Å; H966-I1089 WeakPolarHBondContact CE1-CD1 3.23Å; H966-I1089 WeakPolarHBondContact NE2-CD1 3.19Å; V1061-I1089 WeakPolarHBondContact CA-O 3.28Å; S1062-I1089 PolarHBondContact N-O 3.16Å; S1062-I1089 PolarHBondContact O-N 2.88Å |
| 1090 | A | 82 | Confident | 76.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 125.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | F961 L963 G964 I1096 I1219 | F961-A1090 HydrophobicContact CE2-CB 3.88Å; F961-A1090 HydrophobicContact CZ-CB 3.62Å; L963-A1090 HydrophobicContact CD1-CB 4.44Å; G964-A1090 PolarHBondContact N-O 2.92Å; A1090-I1096 HydrophobicContact CB-CD1 4.21Å; A1090-I1219 HydrophobicContact CB-CD1 3.39Å; A1090-I1219 HydrophobicContact CB-CG1 3.71Å; A1090-I1219 HydrophobicContact CB-CG2 4.03Å |
| 1091 | K | 80.2 | Confident | 78.3 | Confident | 99 Ų | 99 | 28.2 Ų | 28.2 | 43% | 0.43 | 13% | 0.134 | S | C | . | . | trans | -93.1 | -26 | 174.1 | -64.2 | 175.1 | 179.5 | 176.9 | 0 | 111.9 | L963 N1058 Q1059 F1060 S1062 | L963-K1091 VanDerWaalsContact CD1-C 3.46Å; L963-K1091 WeakPolarHBondContact CD1-O 3.38Å; N1058-K1091 WeakPolarHBondContact O-CD 3.44Å; N1058-K1091 WeakPolarHBondContact O-CE 3.36Å; N1058-K1091 PolarHBondContact O-NZ 2.9Å; Q1059-K1091 WeakPolarHBondContact O-CB 3.24Å; Q1059-K1091 VanDerWaalsContact O-CD 3.31Å; Q1059-K1091 WeakPolarHBondContact O-CD 3.28Å; F1060-K1091 WeakPolarHBondContact O-CA 3.46Å; F1060-K1091 WeakPolarHBondContact O-CB 3.48Å; F1060-K1091 PolarHBondContact O-N 3.25Å; S1062-K1091 WeakPolarHBondContact OG-CE 3.3Å | ||
| 1092 | Q | 79.3 | Confident | 79.8 | Confident | 62 Ų | 62 | 26.4 Ų | 26.4 | 29% | 0.29 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -121.1 | 153.6 | 178.1 | -160.7 | 59.5 | 5.5 | 0 | 0 | 114.3 | L963 F992 L994 I998 F1060 | L963-Q1092 WeakPolarHBondContact CD1-O 3.28Å; F992-Q1092 HydrophobicContact CE1-CB 4.42Å; F992-Q1092 HydrophobicContact CZ-CB 4.23Å; F992-Q1092 WeakPolarHBondContact CZ-O 3.47Å; L994-Q1092 HydrophobicContact CD1-CB 4.27Å; L994-Q1092 HydrophobicContact CD1-CG 3.51Å; I998-Q1092 VanDerWaalsContact CD1-NE2 3.34Å; F1060-Q1092 HydrophobicContact CD1-CB 3.86Å; F1060-Q1092 HydrophobicContact CD1-CG 4.12Å; F1060-Q1092 HydrophobicContact CE1-CG 4.49Å; F1060-Q1092 PolarHBondContact O-N 2.86Å |
| 1093 | L | 76.3 | Confident | 80.7 | Confident | 25 Ų | 25 | 21.6 Ų | 21.6 | 13% | 0.131 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -69.7 | 138.8 | 179.4 | -68.6 | 170.8 | 0 | 0 | 0 | 112.1 | L963 F992 T995 I1219 | L963-L1093 HydrophobicContact CD1-CD2 4.41Å; L963-L1093 HydrophobicContact CD2-CG 4.47Å; F992-L1093 WeakPolarHBondContact CZ-O 3.2Å; T995-L1093 PolarHBondContact N-O 3.17Å; T995-L1093 PolarHBondContact OG1-O 3.27Å; L1093-I1219 HydrophobicContact CD2-CG2 4.28Å |
| 1094 | G | 82.1 | Confident | 80.9 | Confident | 4 Ų | 4 | 19.8 Ų | 19.8 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.2 | -146.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N993 I1219 | N993-G1094 CarbonylContact O-C 3.35Å; N993-G1094 WeakPolarHBondContact O-CA 3.49Å; G1094-I1219 PolarHBondContact O-N 3.18Å |
| 1095 | Q | 81.8 | Confident | 80.7 | Confident | 52 Ų | 52 | 20 Ų | 20 | 24% | 0.243 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 122.5 | 176 | 172.7 | -178.4 | -21.8 | 0 | 0 | 110.8 | M958 F992 N993 T1097 W1217 | M958-Q1095 HydrophobicContact CE-CG 4.33Å; F992-Q1095 CarbonylContact C-O 3.43Å; F992-Q1095 WeakPolarHBondContact CA-O 3.37Å; N993-Q1095 HydrophobicContact CB-CB 4.41Å; N993-Q1095 PolarHBondContact N-O 3.14Å; N993-Q1095 PolarHBondContact O-N 3.43Å; Q1095-T1097 HydrophobicContact CG-CG2 4.45Å; Q1095-W1217 CarbonylContact C-O 3.43Å; Q1095-W1217 VanDerWaalsContact CA-O 3.31Å; Q1095-W1217 WeakPolarHBondContact CA-O 3.34Å |
| 1096 | I | 83.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.2 | 171.4 | -75.1 | 179.8 | 0 | 0 | 0 | 110.1 | F961 W990 I991 F992 V1061 I1088 A1090 I1098 W1217 I1219 | F961-I1096 HydrophobicContact CE1-CB 4.48Å; F961-I1096 HydrophobicContact CE1-CD1 4.38Å; F961-I1096 HydrophobicContact CZ-CD1 4.06Å; W990-I1096 HydrophobicContact CB-CG2 4.1Å; I991-I1096 CarbonylContact O-C 3.58Å; I991-I1096 VanDerWaalsContact O-CA 3.23Å; I991-I1096 WeakPolarHBondContact O-CA 3.3Å; F992-I1096 HydrophobicContact CB-CG1 4.08Å; F992-I1096 HydrophobicContact CD2-CD1 4.46Å; F992-I1096 HydrophobicContact CD2-CG1 3.64Å; F992-I1096 HydrophobicContact CG-CG1 4.22Å; V1061-I1096 HydrophobicContact CG1-CD1 3.85Å; V1061-I1096 HydrophobicContact CG2-CD1 3.83Å; V1061-I1096 HydrophobicContact CG2-CG1 4.45Å; I1088-I1096 HydrophobicContact CG2-CD1 4.03Å; A1090-I1096 HydrophobicContact CB-CD1 4.21Å; I1096-I1098 HydrophobicContact CG2-CG1 4.16Å; I1096-W1217 PolarHBondContact N-O 3.03Å; I1096-W1217 PolarHBondContact O-N 3.45Å; I1096-I1219 HydrophobicContact CD1-CD1 4.01Å; I1096-I1219 HydrophobicContact CG1-CD1 3.82Å |
| 1097 | T | 81.6 | Confident | 79.8 | Confident | 21 Ų | 21 | 21.4 Ų | 21.4 | 13% | 0.129 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.6 | 164.6 | 78.4 | 0 | 0 | 0 | 0 | 109.8 | W990 I991 Q1095 L1215 D1216 | W990-T1097 CarbonylContact C-O 3.46Å; W990-T1097 WeakPolarHBondContact CA-O 3.36Å; W990-T1097 WeakPolarHBondContact CB-O 3.45Å; I991-T1097 PolarHBondContact N-O 3.15Å; I991-T1097 PolarHBondContact O-N 3.49Å; Q1095-T1097 HydrophobicContact CG-CG2 4.45Å; T1097-L1215 CarbonylContact C-O 3.4Å; T1097-L1215 VanDerWaalsContact CA-O 3.23Å; T1097-L1215 WeakPolarHBondContact CA-O 3.48Å; T1097-D1216 VanDerWaalsContact CB-OD1 3.24Å; T1097-D1216 WeakPolarHBondContact CB-OD1 3.44Å; T1097-D1216 HydrophobicContact CG2-CB 3.93Å; T1097-D1216 WeakPolarHBondContact CG2-OD1 3.37Å |
| 1098 | I | 81.2 | Confident | 79.1 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 117.6 | -179.6 | -60.8 | 165 | 0 | 0 | 0 | 108.3 | L967 V969 L988 L989 I1088 I1096 F1197 L1215 | L967-I1098 HydrophobicContact CD2-CD1 3.9Å; V969-I1098 HydrophobicContact CG2-CD1 3.83Å; L988-I1098 HydrophobicContact CD2-CG2 4.14Å; L989-I1098 CarbonylContact O-C 3.47Å; L989-I1098 WeakPolarHBondContact O-CA 3.5Å; I1088-I1098 HydrophobicContact CD1-CD1 4.42Å; I1088-I1098 HydrophobicContact CD1-CG1 4.14Å; I1096-I1098 HydrophobicContact CG2-CG1 4.16Å; I1098-F1197 HydrophobicContact CG2-CD2 4.3Å; I1098-F1197 HydrophobicContact CG2-CE2 3.81Å; I1098-L1215 HydrophobicContact CB-CD2 4.07Å; I1098-L1215 HydrophobicContact CG2-CD2 4.33Å; I1098-L1215 PolarHBondContact N-O 2.76Å; I1098-L1215 VanDerWaalsContact O-CB 3.3Å; I1098-L1215 WeakPolarHBondContact O-CB 3.47Å; I1098-L1215 WeakPolarHBondContact O-CD1 3.35Å; I1098-L1215 WeakPolarHBondContact O-CD2 3.36Å |
| 1099 | T | 78 | Confident | 77.6 | Confident | 18 Ų | 18 | 24.7 Ų | 24.7 | 11% | 0.11 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -26.8 | -172.7 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | L989 I991 E1040 L1196 F1197 | L989-T1099 WeakPolarHBondContact CB-OG1 3.49Å; L989-T1099 PolarHBondContact O-N 3.28Å; L989-T1099 PolarHBondContact O-OG1 3.02Å; I991-T1099 HydrophobicContact CD1-CG2 3.89Å; I991-T1099 HydrophobicContact CG1-CG2 3.98Å; E1040-T1099 WeakPolarHBondContact OE1-CB 3.46Å; E1040-T1099 PolarHBondContact OE1-OG1 3.31Å; T1099-L1196 WeakPolarHBondContact O-CA 3.48Å; T1099-F1197 PolarHBondContact O-N 2.83Å |
| 1100 | G | 80.8 | Confident | 75.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | -160 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L989 I1195 | L989-G1100 PolarHBondContact N-O 3.03Å; G1100-I1195 CarbonylContact C-O 3.5Å; G1100-I1195 WeakPolarHBondContact CA-O 3.33Å |
| 1101 | L | 83.6 | Confident | 74 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 148.5 | 166.3 | -74 | 169.3 | 0 | 0 | 0 | 110.2 | I971 L988 L1084 L1086 F1103 K1194 I1195 F1197 | I971-L1101 HydrophobicContact CD1-CD1 3.81Å; I971-L1101 HydrophobicContact CD1-CD2 3.89Å; I971-L1101 HydrophobicContact CD1-CG 3.91Å; L988-L1101 HydrophobicContact CD2-CD2 3.86Å; L988-L1101 HydrophobicContact CG-CD2 4.4Å; L1084-L1101 HydrophobicContact CD2-CD1 3.8Å; L1084-L1101 HydrophobicContact CD2-CD2 3.8Å; L1084-L1101 HydrophobicContact CD2-CG 4.48Å; L1086-L1101 HydrophobicContact CD1-CD2 3.63Å; L1101-F1103 HydrophobicContact CB-CD1 4.37Å; L1101-K1194 CarbonylContact O-C 3.59Å; L1101-K1194 WeakPolarHBondContact O-CA 3.46Å; L1101-K1194 WeakPolarHBondContact O-CB 3.38Å; L1101-I1195 PolarHBondContact N-O 2.88Å; L1101-I1195 PolarHBondContact O-N 3.45Å; L1101-F1197 HydrophobicContact CG-CE1 4.31Å; L1101-F1197 HydrophobicContact CG-CZ 4.08Å |
| 1102 | A | 80.5 | Confident | 72.2 | Confident | 11 Ų | 11 | 32.7 Ų | 32.7 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | H987 L989 G1193 K1194 | H987-A1102 PolarHBondContact N-O 2.85Å; H987-A1102 PolarHBondContact ND1-O 3.28Å; H987-A1102 PolarHBondContact O-N 3.25Å; H987-A1102 VanDerWaalsContact O-O 3.11Å; L989-A1102 HydrophobicContact CD1-CB 4.05Å; L989-A1102 HydrophobicContact CD2-CB 3.69Å; L989-A1102 HydrophobicContact CG-CB 3.74Å; A1102-G1193 WeakPolarHBondContact CA-O 3.35Å; A1102-K1194 HydrophobicContact CB-CB 4.46Å |
| 1103 | F | 83.3 | Confident | 70.1 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 160.9 | -174.7 | 47.3 | -97.9 | 0 | 0 | 0 | 110.6 | F764 F983 V986 L1101 W1105 K1192 G1193 I1195 | F764-F1103 HydrophobicContact CD1-CE2 4.1Å; F764-F1103 HydrophobicContact CD1-CZ 4.21Å; F983-F1103 AromaticContact CD1-CD2 3.7Å; F983-F1103 HydrophobicContact CD1-CD2 3.7Å; F983-F1103 AromaticContact CD1-CE2 3.97Å; F983-F1103 HydrophobicContact CD1-CE2 3.97Å; F983-F1103 HydrophobicContact CD1-CG 4.02Å; F983-F1103 HydrophobicContact CE1-CD2 4.18Å; F983-F1103 AromaticContact CE1-CE2 3.96Å; F983-F1103 HydrophobicContact CE1-CE2 3.96Å; F983-F1103 HydrophobicContact CE1-CZ 4.32Å; V986-F1103 HydrophobicContact CB-CB 4.34Å; V986-F1103 HydrophobicContact CG1-CB 4.18Å; V986-F1103 HydrophobicContact CG2-CB 4.04Å; L1101-F1103 HydrophobicContact CB-CD1 4.37Å; F1103-W1105 HydrophobicContact CD2-CB 3.92Å; F1103-W1105 HydrophobicContact CE2-CB 4Å; F1103-K1192 CarbonylContact O-C 3.55Å; F1103-K1192 WeakPolarHBondContact O-CA 3.45Å; F1103-G1193 PolarHBondContact N-O 3.33Å; F1103-G1193 VanDerWaalsContact N-O 3.07Å; F1103-G1193 PolarHBondContact O-N 2.85Å; F1103-I1195 HydrophobicContact CE1-CD1 3.74Å; F1103-I1195 HydrophobicContact CE1-CG1 3.82Å; F1103-I1195 HydrophobicContact CZ-CD1 3.84Å; F1103-I1195 HydrophobicContact CZ-CG1 3.91Å |
| 1104 | E | 76 | Confident | 68.1 | Low | 34 Ų | 34 | 39.4 Ų | 39.4 | 16% | 0.159 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 138.9 | 155.3 | -73.2 | 163.3 | -176.4 | 0 | 0 | 108 | F983 T984 N985 V1191 K1192 | F983-E1104 CarbonylContact C-O 3.52Å; F983-E1104 WeakPolarHBondContact CA-O 3.13Å; T984-E1104 PolarHBondContact N-O 3.2Å; T984-E1104 PolarHBondContact O-N 3.38Å; T984-E1104 VanDerWaalsContact OG1-CB 3.27Å; T984-E1104 WeakPolarHBondContact OG1-CB 3.19Å; N985-E1104 PolarHBondContact ND2-OE2 3.45Å; E1104-V1191 WeakPolarHBondContact CA-O 3.48Å; E1104-K1192 HydrophobicContact CG-CD 4.41Å; E1104-K1192 HydrophobicContact CG-CG 3.6Å; E1104-K1192 WeakPolarHBondContact OE1-CE 3.45Å; E1104-K1192 IonicContact OE1-NZ 3.42Å; E1104-K1192 PolarHBondContact OE1-NZ 2.9Å |
| 1105 | W | 76.8 | Confident | 65.8 | Low | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.3 | 179 | 172.5 | 58.8 | 0 | 0 | 0 | 111.5 | V740 Y743 L744 F764 L981 F983 F1103 S1190 V1191 | V740-W1105 HydrophobicContact CB-CH2 4.11Å; V740-W1105 HydrophobicContact CB-CZ2 4.41Å; V740-W1105 HydrophobicContact CG1-CH2 3.52Å; V740-W1105 HydrophobicContact CG1-CZ2 3.66Å; V740-W1105 HydrophobicContact CG2-CH2 3.78Å; V740-W1105 HydrophobicContact CG2-CZ2 3.93Å; Y743-W1105 HydrophobicContact CD1-CZ3 4.36Å; L744-W1105 HydrophobicContact CD1-CE3 4.1Å; L744-W1105 HydrophobicContact CD1-CH2 3.84Å; L744-W1105 HydrophobicContact CD1-CZ2 4.48Å; L744-W1105 HydrophobicContact CD1-CZ3 3.62Å; L744-W1105 HydrophobicContact CD2-CE3 3.59Å; L744-W1105 HydrophobicContact CD2-CH2 4.43Å; L744-W1105 HydrophobicContact CD2-CZ3 3.42Å; L744-W1105 VanDerWaalsContact CD2-CZ3 3.42Å; L744-W1105 HydrophobicContact CG-CE3 4.03Å; L744-W1105 HydrophobicContact CG-CH2 3.96Å; L744-W1105 HydrophobicContact CG-CZ3 3.39Å; F764-W1105 HydrophobicContact CD1-CD2 4.48Å; F764-W1105 HydrophobicContact CD1-CE3 4.22Å; F764-W1105 HydrophobicContact CD2-CE3 4.47Å; F764-W1105 HydrophobicContact CD2-CZ3 4.31Å; F764-W1105 AromaticContact CE1-CD2 3.51Å; F764-W1105 HydrophobicContact CE1-CD2 3.51Å; F764-W1105 AromaticContact CE1-CE2 3.95Å; F764-W1105 AromaticContact CE1-CE3 3.43Å; F764-W1105 HydrophobicContact CE1-CE3 3.43Å; F764-W1105 VanDerWaalsContact CE1-CE3 3.43Å; F764-W1105 HydrophobicContact CE1-CG 4.02Å; F764-W1105 HydrophobicContact CE1-CH2 4.26Å; F764-W1105 HydrophobicContact CE1-CZ2 4.33Å; F764-W1105 AromaticContact CE1-CZ3 3.83Å; F764-W1105 HydrophobicContact CE1-CZ3 3.83Å; F764-W1105 AromaticContact CE2-CE3 3.77Å; F764-W1105 HydrophobicContact CE2-CE3 3.77Å; F764-W1105 AromaticContact CE2-CH2 3.82Å; F764-W1105 HydrophobicContact CE2-CH2 3.82Å; F764-W1105 AromaticContact CE2-CZ3 3.34Å; F764-W1105 HydrophobicContact CE2-CZ3 3.34Å; F764-W1105 AromaticContact CZ-CD2 3.59Å; F764-W1105 HydrophobicContact CZ-CD2 3.59Å; F764-W1105 AromaticContact CZ-CE2 3.78Å; F764-W1105 AromaticContact CZ-CE3 3.21Å; F764-W1105 HydrophobicContact CZ-CE3 3.21Å; F764-W1105 AromaticContact CZ-CH2 3.32Å; F764-W1105 HydrophobicContact CZ-CH2 3.32Å; F764-W1105 AromaticContact CZ-CZ2 3.69Å; F764-W1105 HydrophobicContact CZ-CZ2 3.69Å; F764-W1105 AromaticContact CZ-CZ3 3.06Å; F764-W1105 HydrophobicContact CZ-CZ3 3.06Å; L981-W1105 HydrophobicContact CD2-CZ2 3.96Å; F983-W1105 HydrophobicContact CD1-CB 3.99Å; F983-W1105 AromaticContact CD1-CD1 3.67Å; F983-W1105 HydrophobicContact CD1-CG 4.1Å; F983-W1105 HydrophobicContact CE1-CB 4.07Å; F983-W1105 AromaticContact CE1-CD1 3.34Å; F983-W1105 AromaticContact CE1-CG 3.8Å; F983-W1105 HydrophobicContact CE1-CG 3.8Å; F983-W1105 AromaticContact CZ-CD1 3.69Å; F983-W1105 HydrophobicContact CZ-CG 4.48Å; F1103-W1105 HydrophobicContact CD2-CB 3.92Å; F1103-W1105 HydrophobicContact CE2-CB 4Å; W1105-S1190 VanDerWaalsContact O-CA 3.27Å; W1105-S1190 WeakPolarHBondContact O-CA 3.47Å; W1105-V1191 PolarHBondContact N-O 3.18Å; W1105-V1191 PolarHBondContact O-N 2.91Å; W1105-V1191 VanDerWaalsContact O-N 3.14Å |
| 1106 | S | 71.7 | Confident | 63.4 | Low | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 174.4 | 177.4 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | V982 | V982-S1106 PolarHBondContact N-O 3.32Å; V982-S1106 PolarHBondContact O-N 2.69Å; V982-S1106 PolarHBondContact O-OG 3.41Å |
| 1107 | Y | 73.6 | Confident | 61 | Low | 60 Ų | 60 | 54.4 Ų | 54.4 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 158.5 | -179.1 | 61.8 | -94.3 | 0 | 0 | 0 | 110.4 | L737 V740 K741 L744 | L737-Y1107 HydrophobicContact CD1-CD2 3.69Å; L737-Y1107 HydrophobicContact CD1-CG 4.01Å; V740-Y1107 HydrophobicContact CG1-CD1 3.64Å; V740-Y1107 HydrophobicContact CG1-CE1 4.47Å; V740-Y1107 HydrophobicContact CG1-CG 3.94Å; K741-Y1107 HydrophobicContact CD-CE2 4.27Å; K741-Y1107 WeakPolarHBondContact CE-OH 3.31Å; K741-Y1107 HydrophobicContact CG-CE1 3.99Å; K741-Y1107 HydrophobicContact CG-CE2 3.95Å; L744-Y1107 HydrophobicContact CD1-CD1 3.54Å; L744-Y1107 HydrophobicContact CD1-CE1 3.69Å |
| 1108 | L | 64.3 | Low | 58.4 | Low | 37 Ų | 37 | 60.8 Ų | 60.8 | 19% | 0.194 | 31% | 0.309 | C | S | . | . | trans | -95.2 | 153.2 | 173.3 | -70.3 | 163.6 | 0 | 0 | 0 | 111.8 | P980 V982 | P980-L1108 HydrophobicContact CB-CD1 4.42Å; P980-L1108 HydrophobicContact CG-CB 4.24Å; P980-L1108 HydrophobicContact CG-CD1 4.28Å; V982-L1108 HydrophobicContact CG2-CD1 3.78Å; V982-L1108 HydrophobicContact CG2-CG 3.74Å | ||
| 1109 | S | 52.1 | Low | 55.8 | Low | 36 Ų | 36 | 65.5 Ų | 65.5 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | trans | -71.4 | 142.3 | 171.7 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | H1111 Q1112 | S1109-H1111 PolarHBondContact O-N 3.27Å; S1109-Q1112 VanDerWaalsContact CB-OE1 3.22Å; S1109-Q1112 VanDerWaalsContact N-OE1 3.07Å; S1109-Q1112 WeakPolarHBondContact O-CA 3.42Å; S1109-Q1112 WeakPolarHBondContact O-CB 3.5Å; S1109-Q1112 PolarHBondContact O-N 3.39Å | ||
| 1110 | P | 46.1 | Very low | 53.3 | Low | 42 Ų | 42 | 69.9 Ų | 69.9 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -73.7 | -21.2 | -178.4 | 32.1 | -27.9 | 0 | 0 | 0 | 110.8 | L737 Q1112 N1113 | L737-P1110 HydrophobicContact CD2-CB 4.43Å; L737-P1110 VanDerWaalsContact CD2-CD 3.43Å; L737-P1110 HydrophobicContact CD2-CG 3.83Å; P1110-Q1112 PolarHBondContact O-N 3.1Å; P1110-N1113 WeakPolarHBondContact O-CB 3.02Å; P1110-N1113 PolarHBondContact O-N 2.9Å; P1110-N1113 VanDerWaalsContact O-N 3.13Å; P1110-N1113 PolarHBondContact O-ND2 2.85Å |
| 1111 | H | 42.1 | Very low | 50.7 | Low | 162 Ų | 162 | 75.3 Ų | 75.3 | 75% | 0.75 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -73.5 | -14.7 | 170.4 | -55.5 | -61.1 | 0 | 0 | 0 | 112.6 | S1109 N1113 | S1109-H1111 PolarHBondContact O-N 3.27Å; H1111-N1113 VanDerWaalsContact C-N 3.26Å |
| 1112 | Q | 40.6 | Very low | 48 | Very low | 101 Ų | 101 | 79.4 Ų | 79.4 | 47% | 0.472 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -82.7 | 1.7 | 167.9 | -68.9 | 166 | -37.9 | 0 | 0 | 112.4 | S1109 P1110 N1114 V1115 | S1109-Q1112 VanDerWaalsContact CB-OE1 3.22Å; S1109-Q1112 VanDerWaalsContact N-OE1 3.07Å; S1109-Q1112 WeakPolarHBondContact O-CA 3.42Å; S1109-Q1112 WeakPolarHBondContact O-CB 3.5Å; S1109-Q1112 PolarHBondContact O-N 3.39Å; P1110-Q1112 PolarHBondContact O-N 3.1Å; Q1112-N1114 PolarHBondContact O-N 3.37Å; Q1112-V1115 HydrophobicContact CB-CG2 4.13Å; Q1112-V1115 WeakPolarHBondContact O-CB 3.28Å; Q1112-V1115 WeakPolarHBondContact O-CG2 3.16Å; Q1112-V1115 PolarHBondContact O-N 3.41Å |
| 1113 | N | 35.2 | Very low | 45.3 | Very low | 83 Ų | 83 | 86.4 Ų | 86.4 | 44% | 0.444 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -64.4 | -24.6 | 170.7 | -67.5 | -1.2 | 0 | 0 | 0 | 112.2 | P1110 H1111 V1115 E1116 | P1110-N1113 WeakPolarHBondContact O-CB 3.02Å; P1110-N1113 PolarHBondContact O-N 2.9Å; P1110-N1113 VanDerWaalsContact O-N 3.13Å; P1110-N1113 PolarHBondContact O-ND2 2.85Å; H1111-N1113 VanDerWaalsContact C-N 3.26Å; N1113-V1115 PolarHBondContact O-N 2.92Å; N1113-V1115 VanDerWaalsContact O-N 3.1Å; N1113-E1116 WeakPolarHBondContact O-CB 3.4Å; N1113-E1116 WeakPolarHBondContact O-CG 3.36Å; N1113-E1116 PolarHBondContact O-N 3.36Å |
| 1114 | N | 34.3 | Very low | 42.4 | Very low | 144 Ų | 144 | 96 Ų | 96 | 77% | 0.77 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -64.2 | -12.1 | 170.5 | -76.6 | 4.1 | 0 | 0 | 0 | 113.1 | Q1112 E1116 | Q1112-N1114 PolarHBondContact O-N 3.37Å; N1114-E1116 PolarHBondContact O-N 3.17Å |
| 1115 | V | 35.2 | Very low | 39.9 | Very low | 56 Ų | 56 | 99.3 Ų | 99.3 | 34% | 0.339 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -79.1 | 2.9 | 172.3 | -160.4 | 0 | 0 | 0 | 0 | 110.7 | Q1112 N1113 N1117 H1118 I1119 | Q1112-V1115 HydrophobicContact CB-CG2 4.13Å; Q1112-V1115 WeakPolarHBondContact O-CB 3.28Å; Q1112-V1115 WeakPolarHBondContact O-CG2 3.16Å; Q1112-V1115 PolarHBondContact O-N 3.41Å; N1113-V1115 PolarHBondContact O-N 2.92Å; N1113-V1115 VanDerWaalsContact O-N 3.1Å; V1115-N1117 PolarHBondContact O-N 3.37Å; V1115-H1118 HydrophobicContact CG1-CB 3.8Å; V1115-H1118 CarbonylContact O-C 3.55Å; V1115-H1118 PolarHBondContact O-N 3.2Å; V1115-I1119 HydrophobicContact CB-CG1 4.34Å; V1115-I1119 HydrophobicContact CG1-CG1 3.83Å; V1115-I1119 WeakPolarHBondContact O-CG1 3.46Å; V1115-I1119 PolarHBondContact O-N 2.81Å |
| 1116 | E | 30.8 | Very low | 37.3 | Very low | 169 Ų | 169 | 102.6 Ų | 102.6 | 79% | 0.79 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -55 | -22.8 | 163.8 | -79.9 | -171 | 160.9 | 0 | 0 | 113 | N1113 N1114 | N1113-E1116 WeakPolarHBondContact O-CB 3.4Å; N1113-E1116 WeakPolarHBondContact O-CG 3.36Å; N1113-E1116 PolarHBondContact O-N 3.36Å; N1114-E1116 PolarHBondContact O-N 3.17Å |
| 1117 | N | 33.2 | Very low | 35 | Very low | 146 Ų | 146 | 109.4 Ų | 109.4 | 78% | 0.781 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -94.9 | -1.2 | 171.5 | -70.8 | -25.9 | 0 | 0 | 0 | 114.7 | V1115 | V1115-N1117 PolarHBondContact O-N 3.37Š|
| 1118 | H | 27.3 | Very low | 32.5 | Very low | 156 Ų | 156 | 111.1 Ų | 111.1 | 72% | 0.722 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.5 | 1.4 | -177 | -83.1 | -49.3 | 0 | 0 | 0 | 115.5 | V1115 N1120 | V1115-H1118 HydrophobicContact CG1-CB 3.8Å; V1115-H1118 CarbonylContact O-C 3.55Å; V1115-H1118 PolarHBondContact O-N 3.2Å; H1118-N1120 PolarHBondContact O-N 2.89Å |
| 1119 | I | 26.4 | Very low | 30.5 | Very low | 99 Ų | 99 | 114.9 Ų | 114.9 | 51% | 0.508 | 61% | 0.613 | S | S | . | * | trans | -74.6 | 69.1 | 152.5 | -53.8 | -179.4 | 0 | 0 | 0 | 105.7 | V1115 T1121 | V1115-I1119 HydrophobicContact CB-CG1 4.34Å; V1115-I1119 HydrophobicContact CG1-CG1 3.83Å; V1115-I1119 WeakPolarHBondContact O-CG1 3.46Å; V1115-I1119 PolarHBondContact O-N 2.81Å; I1119-T1121 HydrophobicContact CG2-CG2 4.21Å; I1119-T1121 PolarHBondContact O-N 3.23Å | ||
| 1120 | N | 26 | Very low | 29 | Very low | 110 Ų | 110 | 117.6 Ų | 117.6 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | trans | -68.1 | 104 | 167.5 | -149.6 | 43.7 | 0 | 0 | 0 | 105.2 | H1118 D1122 | H1118-N1120 PolarHBondContact O-N 2.89Å; N1120-D1122 PolarHBondContact O-N 2.82Å | ||
| 1121 | T | 26.7 | Very low | 27.9 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 70% | 0.699 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -2.8 | -165.5 | 36.8 | 0 | 0 | 0 | 0 | 114.7 | I1119 | I1119-T1121 HydrophobicContact CG2-CG2 4.21Å; I1119-T1121 PolarHBondContact O-N 3.23Å |
| 1122 | D | 25.4 | Very low | 27 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -9.3 | -172 | -55.6 | -38.8 | 0 | 0 | 0 | 114.4 | N1120 | N1120-D1122 PolarHBondContact O-N 2.82Š|
| 1123 | H | 23.9 | Very low | 26.2 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 73% | 0.731 | 67% | 0.671 | S | S | * | * | trans | -119.4 | 40.7 | -173.6 | -73.1 | -2.5 | 0 | 0 | 0 | 114.9 | ||||
| 1124 | Y | 22 | Very low | 25.5 | Very low | 210 Ų | 210 | 126 Ų | 126 | 82% | 0.824 | 68% | 0.682 | S | S | * | * | trans | -116.4 | 59 | 145.4 | -92.5 | -82.5 | 0 | 0 | 0 | 110.3 | A1126 | Y1124-A1126 PolarHBondContact O-N 3.26Å; Y1124-A1126 VanDerWaalsContact O-N 3.08Å | ||
| 1125 | V | 24 | Very low | 25 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | trans | -61.9 | 110.2 | 161.8 | 176.7 | 0 | 0 | 0 | 0 | 107.1 | N1127 | V1125-N1127 PolarHBondContact O-N 2.92Š| ||
| 1126 | A | 23.4 | Very low | 24.7 | Very low | 72 Ų | 72 | 127 Ų | 127 | 60% | 0.595 | 71% | 0.705 | S | S | * | * | trans | -65.7 | 106.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y1124 S1128 | Y1124-A1126 PolarHBondContact O-N 3.26Å; Y1124-A1126 VanDerWaalsContact O-N 3.08Å; A1126-S1128 PolarHBondContact O-N 2.7Å | ||
| 1127 | N | 21.5 | Very low | 24.3 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | trans | -70.3 | 63.7 | 171.5 | -76.8 | -15.8 | 0 | 0 | 0 | 110.4 | V1125 P1129 | V1125-N1127 PolarHBondContact O-N 2.92Å; N1127-P1129 WeakPolarHBondContact O-CD 3.44Å | ||
| 1128 | S | 22.3 | Very low | 23.7 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | -62.5 | 115.6 | 155.3 | 55.3 | 0 | 0 | 0 | 0 | 106.7 | A1126 S1130 | A1126-S1128 PolarHBondContact O-N 2.7Å; S1128-S1130 PolarHBondContact O-N 3.35Å; S1128-S1130 VanDerWaalsContact O-N 3.07Å | ||
| 1129 | P | 21.1 | Very low | 23.4 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | trans | -60.1 | 119.8 | -179.6 | 24.5 | -33 | 0 | 0 | 0 | 108.4 | N1127 I1131 | N1127-P1129 WeakPolarHBondContact O-CD 3.44Å; P1129-I1131 PolarHBondContact O-N 3.4Å | ||
| 1130 | S | 22.5 | Very low | 23.1 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | trans | -63.7 | 109.8 | 177.1 | 52 | 0 | 0 | 0 | 0 | 108.6 | S1128 I1132 | S1128-S1130 PolarHBondContact O-N 3.35Å; S1128-S1130 VanDerWaalsContact O-N 3.07Å; S1130-I1132 VanDerWaalsContact C-N 3.34Å; S1130-I1132 PolarHBondContact O-N 3.09Å | ||
| 1131 | I | 22.9 | Very low | 22.8 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -70.3 | 95 | 172.7 | -54.4 | 177.9 | 0 | 0 | 0 | 106.9 | P1129 E1133 | P1129-I1131 PolarHBondContact O-N 3.4Å; I1131-E1133 HydrophobicContact CG2-CG 3.94Å; I1131-E1133 PolarHBondContact O-N 3.09Å; I1131-E1133 VanDerWaalsContact O-N 3.1Å | ||
| 1132 | I | 22.3 | Very low | 22.5 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 67% | 0.672 | 75% | 0.754 | S | S | * | * | trans | -81.4 | 86.2 | 178.1 | -63.1 | 171.8 | 0 | 0 | 0 | 107.8 | S1130 S1134 | S1130-I1132 VanDerWaalsContact C-N 3.34Å; S1130-I1132 PolarHBondContact O-N 3.09Å; I1132-S1134 WeakPolarHBondContact CG2-OG 3.46Å; I1132-S1134 PolarHBondContact O-N 2.91Å | ||
| 1133 | E | 22.7 | Very low | 22.3 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -71.6 | 64.7 | 172.5 | -65.9 | -170.6 | 128.9 | 0 | 0 | 111.5 | I1131 | I1131-E1133 HydrophobicContact CG2-CG 3.94Å; I1131-E1133 PolarHBondContact O-N 3.09Å; I1131-E1133 VanDerWaalsContact O-N 3.1Å | ||
| 1134 | S | 22 | Very low | 22.2 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | -155.9 | 70.6 | 175.8 | 67.9 | 0 | 0 | 0 | 0 | 114.3 | I1132 | I1132-S1134 WeakPolarHBondContact CG2-OG 3.46Å; I1132-S1134 PolarHBondContact O-N 2.91Å | ||
| 1135 | A | 23.2 | Very low | 22.1 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -143.6 | 141.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1136 | P | 29.7 | Very low | 22 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -95.3 | 162.4 | -162.4 | 36.9 | -37.3 | 0 | 0 | 0 | 115.5 | V1138 | P1136-V1138 PolarHBondContact O-N 2.69Š| ||
| 1137 | N | 21.9 | Very low | 21.9 | Very low | 162 Ų | 162 | 128.9 Ų | 128.9 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -33.5 | 120.9 | 169.1 | -57.9 | -23.4 | 0 | 0 | 0 | 115.1 | ||||
| 1138 | V | 20.7 | Very low | 21.9 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -125.8 | 124.6 | 151.9 | 179 | 0 | 0 | 0 | 0 | 107.6 | P1136 | P1136-V1138 PolarHBondContact O-N 2.69Š| ||
| 1139 | C | 19.7 | Very low | 21.9 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -71.9 | 138.8 | -176.1 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1140 | L | 20.7 | Very low | 21.8 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | trans | -146.2 | 124.4 | 151.3 | -109.5 | 167.3 | 0 | 0 | 0 | 109.4 | ||||
| 1141 | S | 19.2 | Very low | 21.7 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -102 | 124.8 | -173.3 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1142 | T | 21.4 | Very low | 21.6 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -135.8 | 115.8 | 161.1 | 36 | 0 | 0 | 0 | 0 | 111 | ||||
| 1143 | T | 20.3 | Very low | 21.5 | Very low | 128 Ų | 128 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -74.8 | 138.3 | 165.6 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1144 | T | 22.7 | Very low | 21.6 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | -175.3 | 144.6 | 118 | 20.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1145 | S | 20.2 | Very low | 21.5 | Very low | 98 Ų | 98 | 142 Ų | 142 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -80.3 | 147.1 | 162.7 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1146 | N | 22.4 | Very low | 21.4 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | -165 | 137.6 | 120.3 | -96 | -20.4 | 0 | 0 | 0 | 112 | |||||
| 1147 | S | 20.6 | Very low | 21 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -73.4 | 135 | 167 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1148 | F | 22.2 | Very low | 21 | Very low | 205 Ų | 205 | 142.2 Ų | 142.2 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | trans | -123.6 | 145.2 | 155.2 | -99.1 | -85.9 | 0 | 0 | 0 | 110.3 | ||||
| 1149 | N | 20.4 | Very low | 21 | Very low | 135 Ų | 135 | 143 Ų | 143 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -135.2 | 148.1 | -160.1 | -158 | 11.5 | 0 | 0 | 0 | 109.7 | ||||
| 1150 | N | 21 | Very low | 21.1 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | trans | 63.9 | 125.5 | 167.5 | -63.2 | -27.8 | 0 | 0 | 0 | 119.6 | ||||
| 1151 | N | 20.5 | Very low | 21.1 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 54.7 | 115.2 | 130.5 | -51.2 | -15.6 | 0 | 0 | 0 | 119.9 | ||||
| 1152 | L | 20.8 | Very low | 21.2 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | -153.7 | 135.3 | 121 | -114.3 | 162.9 | 0 | 0 | 0 | 113 | |||||
| 1153 | Y | 19 | Very low | 21.2 | Very low | 219 Ų | 219 | 137.3 Ų | 137.3 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -90.4 | 120.2 | 175.2 | -143 | -87.1 | 0 | 0 | 0 | 107.4 | ||||
| 1154 | I | 24 | Very low | 21.2 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -138.7 | 140.3 | 160.7 | -68 | -169.5 | 0 | 0 | 0 | 108.8 | ||||
| 1155 | D | 20 | Very low | 21.2 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -106.6 | 159.3 | -175.6 | -161.3 | -12.9 | 0 | 0 | 0 | 110.4 | ||||
| 1156 | G | 21.9 | Very low | 21.3 | Very low | 56 Ų | 56 | 140 Ų | 140 | 58% | 0.577 | 76% | 0.764 | S | S | * | * | trans | 100.3 | 99.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1157 | K | 21.5 | Very low | 21.2 | Very low | 193 Ų | 193 | 138.1 Ų | 138.1 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | 71.1 | 136.3 | 127 | -68.6 | 179.6 | 179.9 | 175.6 | 0 | 122.7 | |||||
| 1158 | N | 22.1 | Very low | 21.3 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 93.5 | 138.6 | 138.6 | -74.8 | 5.9 | 0 | 0 | 0 | 121.5 | ||||
| 1159 | L | 21.5 | Very low | 21.4 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | trans | 64 | 104.2 | 156.4 | -62.2 | 159.6 | 0 | 0 | 0 | 116 | ||||
| 1160 | S | 20.1 | Very low | 21.6 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | 90.5 | 121.9 | 56.7 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1161 | A | 21.6 | Very low | 21.8 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 28.7 | 120.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1162 | T | 21.8 | Very low | 22.2 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | -154.7 | 138.6 | 86.7 | 24.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 1163 | T | 21.1 | Very low | 22.3 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | 11.5 | 128.6 | 137.6 | 50.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1164 | D | 20.9 | Very low | 22.5 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | 85.3 | 146 | 125.8 | -58.7 | -14.6 | 0 | 0 | 0 | 123.8 | |||||
| 1165 | T | 22.5 | Very low | 22.4 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 69.9 | 139.2 | 173.8 | 75.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1166 | M | 20.6 | Very low | 22.6 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | cis | -136.6 | 157.9 | 29.4 | -86 | -70.3 | 172.1 | 0 | 0 | 115.5 | ||||
| 1167 | C | 21.2 | Very low | 22.7 | Very low | 104 Ų | 104 | 133 Ų | 133 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | trans | -56.6 | 163 | 171 | -48.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1168 | T | 23.1 | Very low | 22.9 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | -176.1 | 149.1 | 76.9 | 28.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1169 | N | 23.6 | Very low | 23.1 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 60.9 | 100.6 | 143.6 | -57.3 | -11 | 0 | 0 | 0 | 121.4 | ||||
| 1170 | L | 24.4 | Very low | 23.3 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | -142.5 | 146.3 | 129.4 | -103.4 | 139.3 | 0 | 0 | 0 | 109.5 | |||||
| 1171 | P | 26.4 | Very low | 23.7 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 166.5 | -165.3 | -10.2 | 29.9 | 0 | 0 | 0 | 115.1 | ||
| 1172 | P | 27.5 | Very low | 23.8 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 145.7 | -165.6 | 34.9 | -35.6 | 0 | 0 | 0 | 115.3 | ||
| 1173 | P | 24.2 | Very low | 24.1 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 151 | 158.8 | 33.9 | -31.9 | 0 | 0 | 0 | 111.6 | ||
| 1174 | I | 23 | Very low | 24.3 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 86% | 0.862 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 143.4 | -167 | -67 | 157.1 | 0 | 0 | 0 | 113.9 | ||
| 1175 | S | 21.9 | Very low | 24.7 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 140.5 | 173.9 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1176 | N | 24.6 | Very low | 25.2 | Very low | 167 Ų | 167 | 130 Ų | 130 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -131.5 | 119.3 | 153.6 | -99.1 | -19.8 | 0 | 0 | 0 | 108.3 | ||||
| 1177 | N | 23.2 | Very low | 26.2 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -79.8 | 139.7 | -176 | -62.3 | -7.8 | 0 | 0 | 0 | 110.8 | ||||
| 1178 | N | 25.5 | Very low | 27.6 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -158.3 | 63.2 | 162.6 | -101.7 | -30.3 | 0 | 0 | 0 | 109.4 | G1180 | N1178-G1180 PolarHBondContact O-N 3.46Š| ||
| 1179 | D | 25.9 | Very low | 29.1 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -68.3 | 125.1 | 171.6 | -68.6 | -62.4 | 0 | 0 | 0 | 110.3 | ||||
| 1180 | G | 25.7 | Very low | 31.2 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 173.7 | 4.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | N1178 P1182 | N1178-G1180 PolarHBondContact O-N 3.46Å; G1180-P1182 WeakPolarHBondContact O-CD 3.45Å | ||
| 1181 | V | 28.1 | Very low | 33.1 | Very low | 143 Ų | 143 | 117.3 Ų | 117.3 | 87% | 0.867 | 70% | 0.699 | S | S | * | * | trans | -109 | 103.8 | 179.1 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | A1183 | V1181-A1183 PolarHBondContact O-N 3.06Š| ||
| 1182 | P | 25.2 | Very low | 35.2 | Very low | 103 Ų | 103 | 118.7 Ų | 118.7 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | trans | -75.2 | 119.1 | -172.1 | 28.4 | -34.1 | 0 | 0 | 0 | 112.4 | G1180 S1184 | G1180-P1182 WeakPolarHBondContact O-CD 3.45Å; P1182-S1184 PolarHBondContact O-N 3.29Å; P1182-S1184 PolarHBondContact O-OG 2.86Å | ||
| 1183 | A | 27.5 | Very low | 37.2 | Very low | 111 Ų | 111 | 113.6 Ų | 113.6 | 92% | 0.917 | 66% | 0.663 | S | S | * | * | trans | -62.6 | 92.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1181 | V1181-A1183 PolarHBondContact O-N 3.06Š| ||
| 1184 | S | 26.3 | Very low | 39.8 | Very low | 92 Ų | 92 | 109.9 Ų | 109.9 | 64% | 0.643 | 63% | 0.634 | S | S | * | * | trans | -131.8 | 30.3 | -175.4 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | P1182 S1186 | P1182-S1184 PolarHBondContact O-N 3.29Å; P1182-S1184 PolarHBondContact O-OG 2.86Å; S1184-S1186 PolarHBondContact O-N 3.19Å | ||
| 1185 | I | 29.2 | Very low | 42.2 | Very low | 156 Ų | 156 | 102.7 Ų | 102.7 | 80% | 0.8 | 60% | 0.597 | S | S | * | * | trans | -76.5 | 71.5 | 168.7 | -51.3 | 179.4 | 0 | 0 | 0 | 108.4 | E1187 | I1185-E1187 PolarHBondContact O-N 3.28Š| ||
| 1186 | S | 32.5 | Very low | 44.7 | Very low | 107 Ų | 107 | 101.6 Ų | 101.6 | 75% | 0.748 | 58% | 0.584 | S | S | * | * | trans | -69.5 | 116 | 173.2 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | S1184 R1188 | S1184-S1186 PolarHBondContact O-N 3.19Å; S1186-R1188 PolarHBondContact O-N 3.37Å; S1186-R1188 VanDerWaalsContact O-N 3.11Å | ||
| 1187 | E | 40.9 | Very low | 46.9 | Very low | 164 Ų | 164 | 94.8 Ų | 94.8 | 77% | 0.766 | 55% | 0.546 | S | S | * | . | trans | 22 | 74.7 | 164.4 | -60.6 | -173.2 | 159.8 | 0 | 0 | 116.2 | I1185 N1189 | I1185-E1187 PolarHBondContact O-N 3.28Å; E1187-N1189 PolarHBondContact O-N 3.3Å; E1187-N1189 PolarHBondContact O-ND2 3.03Å | ||
| 1188 | R | 50.4 | Low | 48.6 | Very low | 114 Ų | 114 | 91.6 Ų | 91.6 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | trans | -60.9 | 90.7 | 159.3 | -84.6 | -172.1 | 173.6 | -171.9 | -3.4 | 107.7 | E1068 S1186 S1190 | E1068-R1188 IonicContact OE1-CZ 3.86Å; E1068-R1188 IonicContact OE1-NH1 3.9Å; E1068-R1188 IonicContact OE1-NH2 3.58Å; E1068-R1188 PolarHBondContact OE1-NH2 3.16Å; E1068-R1188 IonicContact OE2-CZ 2.68Å; E1068-R1188 IonicContact OE2-NH1 3.79Å; E1068-R1188 PolarHBondContact OE2-NH1 2.96Å; E1068-R1188 IonicContact OE2-NH2 3.9Å; E1068-R1188 PolarHBondContact OE2-NH2 3.18Å; S1186-R1188 PolarHBondContact O-N 3.37Å; S1186-R1188 VanDerWaalsContact O-N 3.11Å; R1188-S1190 VanDerWaalsContact C-N 3.25Å; R1188-S1190 PolarHBondContact O-N 3.21Å | ||
| 1189 | N | 56.3 | Low | 49.7 | Very low | 95 Ų | 95 | 89.1 Ų | 89.1 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | trans | -63.6 | 83.2 | 176.1 | -88.7 | -79.8 | 0 | 0 | 0 | 110 | E1187 | E1187-N1189 PolarHBondContact O-N 3.3Å; E1187-N1189 PolarHBondContact O-ND2 3.03Å | ||
| 1190 | S | 65.9 | Low | 50.3 | Low | 55 Ų | 55 | 89.4 Ų | 89.4 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | trans | -92.9 | 148.3 | -179.2 | 66.2 | 0 | 0 | 0 | 0 | 111.6 | W1105 R1188 | W1105-S1190 VanDerWaalsContact O-CA 3.27Å; W1105-S1190 WeakPolarHBondContact O-CA 3.47Å; R1188-S1190 VanDerWaalsContact C-N 3.25Å; R1188-S1190 PolarHBondContact O-N 3.21Å | ||
| 1191 | V | 64.9 | Low | 50.6 | Low | 14 Ų | 14 | 93.5 Ų | 93.5 | 9% | 0.085 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.5 | 174.5 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | L744 L747 T748 L751 E1104 W1105 G1193 | L744-V1191 HydrophobicContact CD2-CB 3.85Å; L744-V1191 HydrophobicContact CD2-CG2 3.54Å; L747-V1191 HydrophobicContact CD2-CG1 3.92Å; T748-V1191 WeakPolarHBondContact OG1-CG2 3.48Å; L751-V1191 HydrophobicContact CD1-CG1 4.11Å; E1104-V1191 WeakPolarHBondContact CA-O 3.48Å; W1105-V1191 PolarHBondContact N-O 3.18Å; W1105-V1191 PolarHBondContact O-N 2.91Å; W1105-V1191 VanDerWaalsContact O-N 3.14Å; V1191-G1193 PolarHBondContact O-N 3.24Å |
| 1192 | K | 70.6 | Confident | 50.6 | Low | 141 Ų | 141 | 93.5 Ų | 93.5 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 112.5 | 173.9 | -73.5 | -180 | 175.7 | 180 | 0 | 109.9 | F1103 E1104 | F1103-K1192 CarbonylContact O-C 3.55Å; F1103-K1192 WeakPolarHBondContact O-CA 3.45Å; E1104-K1192 HydrophobicContact CG-CD 4.41Å; E1104-K1192 HydrophobicContact CG-CG 3.6Å; E1104-K1192 WeakPolarHBondContact OE1-CE 3.45Å; E1104-K1192 IonicContact OE1-NZ 3.42Å; E1104-K1192 PolarHBondContact OE1-NZ 2.9Å |
| 1193 | G | 70.4 | Confident | 50.8 | Low | 12 Ų | 12 | 96.4 Ų | 96.4 | 12% | 0.124 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 160.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A1102 F1103 V1191 | A1102-G1193 WeakPolarHBondContact CA-O 3.35Å; F1103-G1193 PolarHBondContact N-O 3.33Å; F1103-G1193 VanDerWaalsContact N-O 3.07Å; F1103-G1193 PolarHBondContact O-N 2.85Å; V1191-G1193 PolarHBondContact O-N 3.24Å |
| 1194 | K | 77.4 | Confident | 50.9 | Low | 48 Ų | 48 | 93.9 Ų | 93.9 | 21% | 0.209 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 148.7 | 165.1 | 68.5 | 176.8 | -173.8 | 174.1 | 0 | 111.3 | L989 L1101 A1102 L1196 | L989-K1194 HydrophobicContact CD1-CB 3.81Å; L989-K1194 HydrophobicContact CD1-CD 3.78Å; L989-K1194 HydrophobicContact CD1-CG 4.43Å; L1101-K1194 CarbonylContact O-C 3.59Å; L1101-K1194 WeakPolarHBondContact O-CA 3.46Å; L1101-K1194 WeakPolarHBondContact O-CB 3.38Å; A1102-K1194 HydrophobicContact CB-CB 4.46Å; K1194-L1196 HydrophobicContact CD-CD2 4.16Å; K1194-L1196 HydrophobicContact CD-CG 4.49Å |
| 1195 | I | 73.9 | Confident | 51.4 | Low | 16 Ų | 16 | 97.4 Ų | 97.4 | 8% | 0.082 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 119.6 | 172.2 | -60.1 | 170.6 | 0 | 0 | 0 | 107.2 | I769 G1100 L1101 F1103 | I769-I1195 HydrophobicContact CD1-CB 4.45Å; I769-I1195 HydrophobicContact CD1-CG2 3.56Å; I769-I1195 HydrophobicContact CG1-CG2 4.45Å; G1100-I1195 CarbonylContact C-O 3.5Å; G1100-I1195 WeakPolarHBondContact CA-O 3.33Å; L1101-I1195 PolarHBondContact N-O 2.88Å; L1101-I1195 PolarHBondContact O-N 3.45Å; F1103-I1195 HydrophobicContact CE1-CD1 3.74Å; F1103-I1195 HydrophobicContact CE1-CG1 3.82Å; F1103-I1195 HydrophobicContact CZ-CD1 3.84Å; F1103-I1195 HydrophobicContact CZ-CG1 3.91Å |
| 1196 | L | 74.7 | Confident | 51.6 | Low | 65 Ų | 65 | 96.6 Ų | 96.6 | 34% | 0.34 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 136.4 | -176.4 | -62.6 | 177.7 | 0 | 0 | 0 | 110.5 | L989 T1099 K1194 | L989-L1196 HydrophobicContact CD1-CD2 4.18Å; T1099-L1196 WeakPolarHBondContact O-CA 3.48Å; K1194-L1196 HydrophobicContact CD-CD2 4.16Å; K1194-L1196 HydrophobicContact CD-CG 4.49Å |
| 1197 | F | 70.5 | Confident | 51.5 | Low | 24 Ų | 24 | 96 Ų | 96 | 11% | 0.105 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -80.3 | -19.7 | -179.3 | -52 | -34.1 | 0 | 0 | 0 | 112.8 | I769 F774 I971 I1098 T1099 L1101 L1215 | I769-F1197 HydrophobicContact CD1-CD1 3.86Å; I769-F1197 HydrophobicContact CD1-CE1 3.66Å; F774-F1197 HydrophobicContact CE2-CD2 4.42Å; F774-F1197 HydrophobicContact CE2-CE1 4.29Å; F774-F1197 HydrophobicContact CE2-CE2 4.08Å; F774-F1197 HydrophobicContact CE2-CZ 4.02Å; F774-F1197 HydrophobicContact CZ-CD2 4.28Å; F774-F1197 HydrophobicContact CZ-CE2 4.02Å; F774-F1197 HydrophobicContact CZ-CZ 4.4Å; I971-F1197 HydrophobicContact CD1-CE1 4.37Å; I971-F1197 HydrophobicContact CD1-CZ 3.75Å; I1098-F1197 HydrophobicContact CG2-CD2 4.3Å; I1098-F1197 HydrophobicContact CG2-CE2 3.81Å; T1099-F1197 PolarHBondContact O-N 2.83Å; L1101-F1197 HydrophobicContact CG-CE1 4.31Å; L1101-F1197 HydrophobicContact CG-CZ 4.08Å; F1197-L1215 HydrophobicContact CB-CD1 3.74Å; F1197-L1215 HydrophobicContact CD2-CD1 4.14Å; F1197-L1215 HydrophobicContact CD2-CD2 3.75Å; F1197-L1215 HydrophobicContact CE2-CD2 4.39Å; F1197-L1215 HydrophobicContact CG-CD1 4.47Å |
| 1198 | N | 59.6 | Low | 51.1 | Low | 64 Ų | 64 | 96.2 Ų | 96.2 | 34% | 0.342 | 49% | 0.486 | S | S | . | . | trans | -107.1 | 84.8 | -173.7 | -80.5 | -47.6 | 0 | 0 | 0 | 112.3 | K1200 L1215 | N1198-K1200 PolarHBondContact O-N 2.94Å; N1198-L1215 WeakPolarHBondContact ND2-CD1 3.47Å | ||
| 1199 | H | 47.2 | Very low | 50.2 | Low | 118 Ų | 118 | 95.5 Ų | 95.5 | 55% | 0.546 | 50% | 0.499 | S | S | . | . | trans | -76 | 94.3 | 179.7 | -144.6 | 36 | 0 | 0 | 0 | 111.5 | E763 | E763-H1199 IonicContact OE2-CE1 3.54Å; E763-H1199 PolarHBondContact OE2-CE1 3.34Å | ||
| 1200 | K | 38.8 | Very low | 49.1 | Very low | 165 Ų | 165 | 94 Ų | 94 | 72% | 0.717 | 49% | 0.493 | S | S | * | . | trans | -85.3 | 109 | 159.6 | -82.1 | -175.6 | 178.8 | 176.3 | 0 | 108.7 | N1198 N1202 | N1198-K1200 PolarHBondContact O-N 2.94Å; K1200-N1202 PolarHBondContact O-N 2.82Å | ||
| 1201 | K | 33 | Very low | 48 | Very low | 157 Ų | 157 | 95.5 Ų | 95.5 | 68% | 0.683 | 50% | 0.496 | S | S | * | . | trans | -69.3 | 123.1 | 157.3 | -81.9 | -175.4 | 175.8 | 177.6 | 0 | 108.2 | ||||
| 1202 | N | 28.1 | Very low | 47 | Very low | 142 Ų | 142 | 104.4 Ų | 104.4 | 76% | 0.759 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 138.2 | 170.4 | -75.2 | -20.2 | 0 | 0 | 0 | 109.7 | K1200 | K1200-N1202 PolarHBondContact O-N 2.82Š|
| 1203 | N | 29.2 | Very low | 46.2 | Very low | 165 Ų | 165 | 100.3 Ų | 100.3 | 88% | 0.882 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 47.2 | 165.8 | -57.8 | -3.5 | 0 | 0 | 0 | 117.7 | ||
| 1204 | S | 29.1 | Very low | 45.4 | Very low | 57 Ų | 57 | 100.7 Ų | 100.7 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | trans | -127.8 | 105 | 144.6 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | N1206 D1207 | S1204-N1206 VanDerWaalsContact C-N 3.32Å; S1204-N1206 PolarHBondContact O-N 3.24Å; S1204-D1207 PolarHBondContact OG-OD2 2.65Å | ||
| 1205 | I | 36.6 | Very low | 44.9 | Very low | 166 Ų | 166 | 99 Ų | 99 | 85% | 0.851 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 86.9 | 172.1 | -57.1 | 175.8 | 0 | 0 | 0 | 107.7 | ||
| 1206 | N | 34.5 | Very low | 44.8 | Very low | 139 Ų | 139 | 101.9 Ų | 101.9 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 172.2 | -8.2 | 148.3 | -88.7 | -18.8 | 0 | 0 | 0 | 114.4 | S1204 N1208 | S1204-N1206 VanDerWaalsContact C-N 3.32Å; S1204-N1206 PolarHBondContact O-N 3.24Å; N1206-N1208 PolarHBondContact O-N 2.98Å |
| 1207 | D | 29.3 | Very low | 44.8 | Very low | 96 Ų | 96 | 98.8 Ų | 98.8 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | trans | -70.7 | 89.3 | -179.2 | -74.2 | -35.9 | 0 | 0 | 0 | 112.6 | S1204 S1209 | S1204-D1207 PolarHBondContact OG-OD2 2.65Å; D1207-S1209 PolarHBondContact O-N 3.26Å | ||
| 1208 | N | 33.6 | Very low | 45 | Very low | 168 Ų | 168 | 97.8 Ų | 97.8 | 90% | 0.898 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 15.5 | 179.1 | -89.3 | -51.1 | 0 | 0 | 0 | 115.1 | N1206 | N1206-N1208 PolarHBondContact O-N 2.98Š|
| 1209 | S | 30.6 | Very low | 45.6 | Very low | 98 Ų | 98 | 95.2 Ų | 95.2 | 69% | 0.685 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10.7 | -177.8 | 67.4 | 0 | 0 | 0 | 0 | 114.7 | D1207 I1211 | D1207-S1209 PolarHBondContact O-N 3.26Å; S1209-I1211 PolarHBondContact O-N 2.69Å |
| 1210 | V | 33.8 | Very low | 46.7 | Very low | 63 Ų | 63 | 91.4 Ų | 91.4 | 38% | 0.382 | 47% | 0.472 | S | S | . | . | trans | -68.4 | 111 | 176.6 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | R1212 | V1210-R1212 VanDerWaalsContact C-N 3.33Å; V1210-R1212 HydrophobicContact CG1-CG 4.43Å; V1210-R1212 PolarHBondContact O-N 2.93Å | ||
| 1211 | I | 41.4 | Very low | 47.6 | Very low | 88 Ų | 88 | 89.8 Ų | 89.8 | 45% | 0.451 | 47% | 0.467 | S | S | . | . | trans | -72.6 | 81.3 | -175.9 | -54.4 | -178.4 | 0 | 0 | 0 | 110.8 | L771 S1209 L1213 | L771-I1211 HydrophobicContact CD1-CD1 4.01Å; S1209-I1211 PolarHBondContact O-N 2.69Å; I1211-L1213 HydrophobicContact CG2-CB 4.36Å; I1211-L1213 HydrophobicContact CG2-CD1 3.41Å; I1211-L1213 VanDerWaalsContact CG2-CD1 3.41Å; I1211-L1213 HydrophobicContact CG2-CG 3.76Å; I1211-L1213 PolarHBondContact O-N 3.14Å | ||
| 1212 | R | 44.9 | Very low | 48.7 | Very low | 201 Ų | 201 | 84.4 Ų | 84.4 | 76% | 0.758 | 45% | 0.448 | S | S | * | . | trans | -81.1 | 94.9 | 165.2 | -61.8 | -165.4 | -164 | -169.4 | 7.9 | 110.1 | V1210 | V1210-R1212 VanDerWaalsContact C-N 3.33Å; V1210-R1212 HydrophobicContact CG1-CG 4.43Å; V1210-R1212 PolarHBondContact O-N 2.93Å | ||
| 1213 | L | 52.9 | Low | 50.3 | Low | 55 Ų | 55 | 79.3 Ų | 79.3 | 29% | 0.288 | 42% | 0.422 | S | S | . | . | trans | -122.1 | 149.8 | 170.8 | -65.9 | 171.3 | 0 | 0 | 0 | 108.4 | Y949 K956 I1211 L1215 | Y949-L1213 HydrophobicContact CE2-CB 4.18Å; Y949-L1213 HydrophobicContact CE2-CD2 4.43Å; Y949-L1213 WeakPolarHBondContact OH-CD1 3.31Å; K956-L1213 VanDerWaalsContact CE-CD2 3.41Å; I1211-L1213 HydrophobicContact CG2-CB 4.36Å; I1211-L1213 HydrophobicContact CG2-CD1 3.41Å; I1211-L1213 VanDerWaalsContact CG2-CD1 3.41Å; I1211-L1213 HydrophobicContact CG2-CG 3.76Å; I1211-L1213 PolarHBondContact O-N 3.14Å; L1213-L1215 PolarHBondContact O-N 2.94Å | ||
| 1214 | P | 54.2 | Low | 51.9 | Low | 20 Ų | 20 | 72 Ų | 72 | 13% | 0.13 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -69.5 | 90.5 | -151.1 | 26.5 | -36.3 | 0 | 0 | 0 | 113.6 | Y949 P959 W1217 | Y949-P1214 HydrophobicContact CD2-CG 3.48Å; Y949-P1214 VanDerWaalsContact CD2-CG 3.48Å; Y949-P1214 HydrophobicContact CE2-CG 4.08Å; Y949-P1214 HydrophobicContact CG-CG 3.91Å; P959-P1214 HydrophobicContact CG-CB 4.11Å; P1214-W1217 PolarHBondContact O-NE1 3.14Å |
| 1215 | L | 67.7 | Low | 53.6 | Low | 13 Ų | 13 | 69.6 Ų | 69.6 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | trans | -93.8 | -8.7 | 170.5 | -70.2 | 166.7 | 0 | 0 | 0 | 112 | F774 T1097 I1098 F1197 N1198 L1213 W1217 | F774-L1215 HydrophobicContact CZ-CD2 4.39Å; T1097-L1215 CarbonylContact C-O 3.4Å; T1097-L1215 VanDerWaalsContact CA-O 3.23Å; T1097-L1215 WeakPolarHBondContact CA-O 3.48Å; I1098-L1215 HydrophobicContact CB-CD2 4.07Å; I1098-L1215 HydrophobicContact CG2-CD2 4.33Å; I1098-L1215 PolarHBondContact N-O 2.76Å; I1098-L1215 VanDerWaalsContact O-CB 3.3Å; I1098-L1215 WeakPolarHBondContact O-CB 3.47Å; I1098-L1215 WeakPolarHBondContact O-CD1 3.35Å; I1098-L1215 WeakPolarHBondContact O-CD2 3.36Å; F1197-L1215 HydrophobicContact CB-CD1 3.74Å; F1197-L1215 HydrophobicContact CD2-CD1 4.14Å; F1197-L1215 HydrophobicContact CD2-CD2 3.75Å; F1197-L1215 HydrophobicContact CE2-CD2 4.39Å; F1197-L1215 HydrophobicContact CG-CD1 4.47Å; N1198-L1215 WeakPolarHBondContact ND2-CD1 3.47Å; L1213-L1215 PolarHBondContact O-N 2.94Å; L1215-W1217 VanDerWaalsContact C-CD1 3.43Å | ||
| 1216 | D | 71.4 | Confident | 55.2 | Low | 76 Ų | 76 | 61.9 Ų | 61.9 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 121 | 179.8 | -50.1 | -23.1 | 0 | 0 | 0 | 111.2 | P959 T1097 | P959-D1216 VanDerWaalsContact CD-O 3.25Å; P959-D1216 WeakPolarHBondContact CD-O 3.39Å; P959-D1216 WeakPolarHBondContact CG-O 3.07Å; T1097-D1216 VanDerWaalsContact CB-OD1 3.24Å; T1097-D1216 WeakPolarHBondContact CB-OD1 3.44Å; T1097-D1216 HydrophobicContact CG2-CB 3.93Å; T1097-D1216 WeakPolarHBondContact CG2-OD1 3.37Å |
| 1217 | W | 74.2 | Confident | 56.6 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.3 | -171.8 | -60.6 | 71.4 | 0 | 0 | 0 | 110.7 | I776 I948 P959 F961 L967 Q1095 I1096 P1214 L1215 | I776-W1217 HydrophobicContact CB-CH2 4.2Å; I776-W1217 HydrophobicContact CB-CZ2 4.07Å; I776-W1217 HydrophobicContact CD1-CZ2 3.61Å; I776-W1217 HydrophobicContact CG1-CZ2 4.44Å; I776-W1217 HydrophobicContact CG2-CH2 3.69Å; I776-W1217 HydrophobicContact CG2-CZ2 3.7Å; I776-W1217 HydrophobicContact CG2-CZ3 4.39Å; I948-W1217 HydrophobicContact CB-CH2 3.78Å; I948-W1217 HydrophobicContact CB-CZ3 3.99Å; I948-W1217 HydrophobicContact CD1-CZ3 3.96Å; I948-W1217 HydrophobicContact CG2-CH2 3.55Å; I948-W1217 HydrophobicContact CG2-CZ3 3.63Å; P959-W1217 HydrophobicContact CB-CD2 3.96Å; P959-W1217 HydrophobicContact CB-CE3 3.58Å; P959-W1217 HydrophobicContact CB-CH2 3.88Å; P959-W1217 HydrophobicContact CB-CZ2 4.24Å; P959-W1217 HydrophobicContact CB-CZ3 3.56Å; P959-W1217 HydrophobicContact CG-CD2 3.49Å; P959-W1217 VanDerWaalsContact CG-CD2 3.49Å; P959-W1217 HydrophobicContact CG-CE3 3.69Å; P959-W1217 HydrophobicContact CG-CG 4Å; P959-W1217 HydrophobicContact CG-CH2 3.96Å; P959-W1217 HydrophobicContact CG-CZ2 3.78Å; P959-W1217 HydrophobicContact CG-CZ3 3.94Å; F961-W1217 HydrophobicContact CD1-CB 3.94Å; F961-W1217 HydrophobicContact CE1-CB 4.23Å; L967-W1217 HydrophobicContact CD1-CD2 4.22Å; L967-W1217 HydrophobicContact CD1-CE3 3.88Å; L967-W1217 HydrophobicContact CD1-CZ3 4.04Å; L967-W1217 HydrophobicContact CD2-CD2 4.21Å; L967-W1217 HydrophobicContact CD2-CG 4.13Å; Q1095-W1217 CarbonylContact C-O 3.43Å; Q1095-W1217 VanDerWaalsContact CA-O 3.31Å; Q1095-W1217 WeakPolarHBondContact CA-O 3.34Å; I1096-W1217 PolarHBondContact N-O 3.03Å; I1096-W1217 PolarHBondContact O-N 3.45Å; P1214-W1217 PolarHBondContact O-NE1 3.14Å; L1215-W1217 VanDerWaalsContact C-CD1 3.43Å |
| 1218 | S | 74.4 | Confident | 58.6 | Low | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 130 | 175.1 | 59 | 0 | 0 | 0 | 0 | 112.5 | R940 P959 T960 F961 | R940-S1218 PolarHBondContact NH1-OG 2.81Å; P959-S1218 PolarHBondContact O-N 2.84Å; T960-S1218 CarbonylContact C-O 3.59Å; T960-S1218 WeakPolarHBondContact CA-O 3.28Å; T960-S1218 WeakPolarHBondContact CB-O 3.32Å; T960-S1218 WeakPolarHBondContact CG2-O 3.35Å; T960-S1218 WeakPolarHBondContact CG2-OG 3.5Å; F961-S1218 PolarHBondContact N-O 3.25Å |
| 1219 | I | 73.6 | Confident | 60.3 | Low | 11 Ų | 11 | 50.1 Ų | 50.1 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 145.3 | -177 | -63.4 | 142.6 | 0 | 0 | 0 | 109.4 | F961 L963 F992 A1090 L1093 G1094 I1096 | F961-I1219 HydrophobicContact CD1-CG1 3.93Å; F961-I1219 HydrophobicContact CE1-CD1 4.09Å; F961-I1219 HydrophobicContact CE1-CG1 3.37Å; F961-I1219 HydrophobicContact CE2-CG1 4.34Å; F961-I1219 HydrophobicContact CZ-CD1 4.16Å; F961-I1219 HydrophobicContact CZ-CG1 3.63Å; F961-I1219 CarbonylContact O-C 3.44Å; F961-I1219 VanDerWaalsContact O-CA 3.31Å; F961-I1219 WeakPolarHBondContact O-CA 3.36Å; L963-I1219 HydrophobicContact CB-CG2 4.28Å; L963-I1219 HydrophobicContact CD1-CG2 3.51Å; F992-I1219 HydrophobicContact CD2-CD1 3.94Å; F992-I1219 HydrophobicContact CE2-CD1 3.49Å; F992-I1219 VanDerWaalsContact CE2-CD1 3.49Å; A1090-I1219 HydrophobicContact CB-CD1 3.39Å; A1090-I1219 HydrophobicContact CB-CG1 3.71Å; A1090-I1219 HydrophobicContact CB-CG2 4.03Å; L1093-I1219 HydrophobicContact CD2-CG2 4.28Å; G1094-I1219 PolarHBondContact O-N 3.18Å; I1096-I1219 HydrophobicContact CD1-CD1 4.01Å; I1096-I1219 HydrophobicContact CG1-CD1 3.82Å |
| 1220 | T | 69.9 | Low | 62.3 | Low | 38 Ų | 38 | 46.3 Ų | 46.3 | 23% | 0.233 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155.2 | -175.9 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | T960 F961 P962 L963 | T960-T1220 HydrophobicContact CG2-CG2 3.79Å; F961-T1220 PolarHBondContact O-N 3.31Å; F961-T1220 PolarHBondContact O-OG1 3.45Å; P962-T1220 CarbonylContact C-O 3.48Å; L963-T1220 WeakPolarHBondContact CB-O 3.41Å; L963-T1220 PolarHBondContact N-O 3.29Å |
| 1221 | H | 57.4 | Low | 63.8 | Low | 131 Ų | 131 | 46.2 Ų | 46.2 | 61% | 0.606 | 23% | 0.228 | S | C | * | . | trans | -47.1 | 152.4 | -175.7 | -66.4 | 93.7 | 0 | 0 | 0 | 114.1 | V1223 | H1221-V1223 PolarHBondContact O-N 3.22Š| ||
| 1222 | P | 56.3 | Low | 64.6 | Low | 44 Ų | 44 | 45.7 Ų | 45.7 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | trans | -51.3 | 139 | 173.6 | -22.2 | 30.4 | 0 | 0 | 0 | 110.2 | L963 I1255 | L963-P1222 HydrophobicContact CB-CG 3.9Å; L963-P1222 HydrophobicContact CD2-CG 3.74Å; L963-P1222 HydrophobicContact CG-CG 4.28Å; P1222-I1255 HydrophobicContact CB-CD1 4.39Å; P1222-I1255 WeakPolarHBondContact O-CD1 3.34Å | ||
| 1223 | V | 62.4 | Low | 65.7 | Low | 35 Ų | 35 | 38.8 Ų | 38.8 | 21% | 0.212 | 21% | 0.208 | C | C | . | . | trans | -143.1 | 147.6 | -173.8 | -85.7 | 0 | 0 | 0 | 0 | 112.9 | P962 H1221 R1440 | P962-V1223 HydrophobicContact CB-CG2 3.51Å; P962-V1223 HydrophobicContact CG-CG2 3.55Å; H1221-V1223 PolarHBondContact O-N 3.22Å; V1223-R1440 VanDerWaalsContact CB-NH2 3.29Å | ||
| 1224 | P | 62.2 | Low | 66.1 | Low | 10 Ų | 10 | 37.3 Ų | 37.3 | 7% | 0.065 | 20% | 0.201 | C | C | . | . | trans | -63.1 | 143.2 | -170.6 | 29.5 | -42.2 | 0 | 0 | 0 | 112.8 | L1257 Y1421 S1423 R1440 | P1224-L1257 HydrophobicContact CB-CD2 3.29Å; P1224-Y1421 HydrophobicContact CB-CD2 4.25Å; P1224-Y1421 HydrophobicContact CB-CE2 3.83Å; P1224-Y1421 HydrophobicContact CG-CE2 4.18Å; P1224-Y1421 PolarHBondContact O-OH 3.22Å; P1224-S1423 VanDerWaalsContact CG-CB 3.48Å; P1224-R1440 HydrophobicContact CG-CG 4.25Å; P1224-R1440 PolarHBondContact O-NH1 3.02Å | ||
| 1225 | S | 65.5 | Low | 66.2 | Low | 8 Ų | 8 | 39.7 Ų | 39.7 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | trans | -147.9 | 106.3 | -169.9 | -172 | 0 | 0 | 0 | 0 | 112.1 | R806 N1251 S1252 G1253 | R806-S1225 WeakPolarHBondContact CD-OG 3.16Å; R806-S1225 WeakPolarHBondContact CG-OG 3.47Å; R806-S1225 PolarHBondContact NE-OG 3.08Å; S1225-N1251 PolarHBondContact O-OD1 2.89Å; S1225-S1252 CarbonylContact O-C 3.48Å; S1225-S1252 PolarHBondContact O-N 3.04Å; S1225-G1253 PolarHBondContact O-N 3.21Å | ||
| 1226 | L | 68.3 | Low | 65.4 | Low | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129 | 174.5 | -171.6 | 70.2 | 0 | 0 | 0 | 111 | G807 V1228 L1249 L1257 L1260 L1319 F1419 Y1421 | G807-L1226 WeakPolarHBondContact CA-O 3.13Å; G807-L1226 PolarHBondContact N-O 2.97Å; L1226-V1228 HydrophobicContact CD2-CG2 4.43Å; L1226-V1228 HydrophobicContact CG-CG2 4.43Å; L1226-L1249 HydrophobicContact CD1-CB 4.45Å; L1226-L1257 HydrophobicContact CB-CD1 3.82Å; L1226-L1257 HydrophobicContact CD1-CD1 3.7Å; L1226-L1257 HydrophobicContact CG-CD1 4.34Å; L1226-L1260 HydrophobicContact CD1-CD2 4.15Å; L1226-L1260 HydrophobicContact CD2-CD2 4.27Å; L1226-L1319 HydrophobicContact CD1-CD2 3.82Å; L1226-F1419 HydrophobicContact CD2-CB 4.35Å; L1226-Y1421 HydrophobicContact CB-CD1 3.62Å; L1226-Y1421 HydrophobicContact CB-CE1 3.42Å; L1226-Y1421 VanDerWaalsContact CB-CE1 3.42Å; L1226-Y1421 HydrophobicContact CB-CG 4.29Å; L1226-Y1421 HydrophobicContact CD2-CD1 3.82Å; L1226-Y1421 HydrophobicContact CD2-CE1 4.31Å; L1226-Y1421 HydrophobicContact CG-CD1 4.37Å |
| 1227 | R | 64.7 | Low | 64.6 | Low | 80 Ų | 80 | 40.2 Ų | 40.2 | 30% | 0.302 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 147.7 | 167.8 | 172.3 | -171.1 | -63.3 | -140.9 | -13.5 | 109.2 | E804 L1249 T1250 S1252 | E804-R1227 IonicContact OE1-NH1 2.88Å; E804-R1227 IonicContact OE2-CZ 3.82Å; E804-R1227 IonicContact OE2-NH1 3.56Å; E804-R1227 PolarHBondContact OE2-NH1 2.81Å; E804-R1227 IonicContact OE2-NH2 3.36Å; E804-R1227 PolarHBondContact OE2-NH2 2.88Å; R1227-L1249 WeakPolarHBondContact O-CA 3.37Å; R1227-T1250 PolarHBondContact N-O 3.4Å; R1227-T1250 PolarHBondContact O-N 3.35Å; R1227-S1252 VanDerWaalsContact CB-OG 3.29Å; R1227-S1252 WeakPolarHBondContact CB-OG 3.28Å; R1227-S1252 PolarHBondContact NE-OG 3.16Å |
| 1228 | V | 71 | Confident | 63.2 | Low | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 139.2 | -176.7 | -175.1 | 0 | 0 | 0 | 0 | 108 | V808 Q809 L1226 F1230 I1247 S1248 L1249 F1419 V1442 | V808-V1228 CarbonylContact C-O 3.54Å; V808-V1228 WeakPolarHBondContact CA-O 3.49Å; V808-V1228 HydrophobicContact CG2-CB 4.22Å; V808-V1228 PolarHBondContact N-O 2.93Å; Q809-V1228 PolarHBondContact N-O 3.44Å; L1226-V1228 HydrophobicContact CD2-CG2 4.43Å; L1226-V1228 HydrophobicContact CG-CG2 4.43Å; V1228-F1230 HydrophobicContact CG1-CE2 4.23Å; V1228-F1230 HydrophobicContact CG1-CZ 4.41Å; V1228-I1247 HydrophobicContact CG1-CD1 3.77Å; V1228-I1247 HydrophobicContact CG1-CG1 3.91Å; V1228-S1248 CarbonylContact C-O 3.57Å; V1228-S1248 WeakPolarHBondContact CA-O 3.5Å; V1228-L1249 HydrophobicContact CB-CD2 4.24Å; V1228-L1249 HydrophobicContact CG1-CD2 3.9Å; V1228-L1249 HydrophobicContact CG2-CD2 3.78Å; V1228-F1419 HydrophobicContact CG1-CE1 3.98Å; V1228-F1419 HydrophobicContact CG1-CE2 4.41Å; V1228-F1419 HydrophobicContact CG1-CZ 3.93Å; V1228-F1419 HydrophobicContact CG2-CD1 4.15Å; V1228-F1419 HydrophobicContact CG2-CD2 4.39Å; V1228-F1419 HydrophobicContact CG2-CE1 4.43Å; V1228-F1419 HydrophobicContact CG2-CG 4.17Å; V1228-V1442 HydrophobicContact CG2-CG1 4.26Å |
| 1229 | F | 69.5 | Low | 61.7 | Low | 74 Ų | 74 | 51.8 Ų | 51.8 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.4 | 175.7 | 167.9 | -99.4 | 0 | 0 | 0 | 110.2 | Q809 I1247 S1248 | Q809-F1229 HydrophobicContact CB-CD2 4.11Å; Q809-F1229 HydrophobicContact CG-CD2 4.31Å; Q809-F1229 VanDerWaalsContact OE1-CD2 3.22Å; F1229-I1247 CarbonylContact O-C 3.39Å; F1229-I1247 VanDerWaalsContact O-CA 3.27Å; F1229-I1247 WeakPolarHBondContact O-CA 3.23Å; F1229-I1247 WeakPolarHBondContact O-CG1 3.27Å; F1229-S1248 PolarHBondContact N-O 3.32Å; F1229-S1248 PolarHBondContact O-N 3.25Å |
| 1230 | F | 71.9 | Confident | 60.4 | Low | 18 Ų | 18 | 52 Ų | 52 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136 | 176.7 | -67.2 | -78.1 | 0 | 0 | 0 | 110 | V1228 S1232 F1233 V1245 Q1246 I1247 L1329 F1419 H1444 | V1228-F1230 HydrophobicContact CG1-CE2 4.23Å; V1228-F1230 HydrophobicContact CG1-CZ 4.41Å; F1230-S1232 VanDerWaalsContact C-N 3.31Å; F1230-S1232 PolarHBondContact O-N 3.42Å; F1230-F1233 HydrophobicContact CB-CB 4.46Å; F1230-F1233 HydrophobicContact CD1-CD2 4.02Å; F1230-F1233 HydrophobicContact CD2-CD2 4.2Å; F1230-F1233 HydrophobicContact CE1-CD2 4.16Å; F1230-F1233 HydrophobicContact CE1-CE2 4.27Å; F1230-F1233 HydrophobicContact CE2-CD2 4.35Å; F1230-F1233 HydrophobicContact CG-CD2 4.03Å; F1230-F1233 HydrophobicContact CZ-CD2 4.31Å; F1230-F1233 HydrophobicContact CZ-CE2 4.27Å; F1230-V1245 HydrophobicContact CB-CG1 3.96Å; F1230-V1245 HydrophobicContact CD1-CG1 3.96Å; F1230-V1245 HydrophobicContact CG-CG1 4.42Å; F1230-Q1246 CarbonylContact C-O 3.43Å; F1230-Q1246 WeakPolarHBondContact CA-O 3.44Å; F1230-I1247 HydrophobicContact CD1-CB 3.8Å; F1230-I1247 HydrophobicContact CD1-CD1 4.34Å; F1230-I1247 HydrophobicContact CD1-CG1 3.92Å; F1230-I1247 HydrophobicContact CE1-CB 3.79Å; F1230-I1247 HydrophobicContact CE1-CD1 3.57Å; F1230-I1247 HydrophobicContact CE1-CG1 3.66Å; F1230-I1247 HydrophobicContact CZ-CD1 3.84Å; F1230-I1247 HydrophobicContact CZ-CG1 4.22Å; F1230-L1329 HydrophobicContact CE1-CD2 3.79Å; F1230-F1419 HydrophobicContact CZ-CZ 4.04Å; F1230-H1444 AromaticContact CE2-CD2 3.82Å |
| 1231 | S | 65.8 | Low | 59.5 | Low | 61 Ų | 61 | 53.8 Ų | 53.8 | 43% | 0.427 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -63.6 | -35.9 | -179 | 62 | 0 | 0 | 0 | 0 | 113.8 | Q1246 | S1231-Q1246 PolarHBondContact N-O 2.95Å; S1231-Q1246 PolarHBondContact OG-N 2.87Å; S1231-Q1246 VanDerWaalsContact OG-N 3.07Å |
| 1232 | S | 59.1 | Low | 59.4 | Low | 77 Ų | 77 | 52.7 Ų | 52.7 | 54% | 0.538 | 28% | 0.275 | S | S | . | . | trans | -176.6 | 82.6 | -169.4 | 42.9 | 0 | 0 | 0 | 0 | 109.6 | F1230 V1245 | F1230-S1232 VanDerWaalsContact C-N 3.31Å; F1230-S1232 PolarHBondContact O-N 3.42Å; S1232-V1245 WeakPolarHBondContact O-CG1 3.23Å; S1232-V1245 WeakPolarHBondContact O-CG2 3.46Å | ||
| 1233 | F | 67.5 | Low | 59.6 | Low | 57 Ų | 57 | 52.3 Ų | 52.3 | 25% | 0.25 | 27% | 0.273 | C | S | . | . | trans | -77.9 | 130.4 | 176.7 | -154.8 | -79.1 | 0 | 0 | 0 | 109.7 | F1230 L1331 H1444 S1446 | F1230-F1233 HydrophobicContact CB-CB 4.46Å; F1230-F1233 HydrophobicContact CD1-CD2 4.02Å; F1230-F1233 HydrophobicContact CD2-CD2 4.2Å; F1230-F1233 HydrophobicContact CE1-CD2 4.16Å; F1230-F1233 HydrophobicContact CE1-CE2 4.27Å; F1230-F1233 HydrophobicContact CE2-CD2 4.35Å; F1230-F1233 HydrophobicContact CG-CD2 4.03Å; F1230-F1233 HydrophobicContact CZ-CD2 4.31Å; F1230-F1233 HydrophobicContact CZ-CE2 4.27Å; F1233-L1331 HydrophobicContact CD1-CD1 4.39Å; F1233-L1331 HydrophobicContact CD2-CD1 4.02Å; F1233-L1331 HydrophobicContact CE1-CD1 3.96Å; F1233-L1331 HydrophobicContact CE2-CD1 3.56Å; F1233-L1331 HydrophobicContact CE2-CD2 4.22Å; F1233-L1331 HydrophobicContact CG-CD1 4.41Å; F1233-L1331 HydrophobicContact CZ-CD1 3.53Å; F1233-L1331 HydrophobicContact CZ-CD2 4.23Å; F1233-H1444 AromaticContact CD2-NE2 3.79Å; F1233-H1444 AromaticContact CE2-CD2 3.96Å; F1233-H1444 AromaticContact CE2-NE2 3.68Å; F1233-H1444 AromaticContact CZ-NE2 3.88Å; F1233-S1446 WeakPolarHBondContact CE1-OG 3.37Å | ||
| 1234 | P | 60.5 | Low | 59.9 | Low | 23 Ų | 23 | 52.7 Ų | 52.7 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | trans | -72.7 | 132 | -178.7 | 29 | -34.7 | 0 | 0 | 0 | 111.6 | L1237 C1243 L1331 | P1234-L1237 HydrophobicContact CB-CD2 3.96Å; P1234-L1237 HydrophobicContact CB-CG 4.19Å; P1234-L1237 HydrophobicContact CG-CD1 4.1Å; P1234-L1237 HydrophobicContact CG-CD2 3.98Å; P1234-L1237 HydrophobicContact CG-CG 4.05Å; P1234-C1243 HydrophobicContact CG-CB 4.3Å; P1234-L1331 HydrophobicContact CG-CD1 4.01Å | ||
| 1235 | S | 56.3 | Low | 60.2 | Low | 71 Ų | 71 | 52.2 Ų | 52.2 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -75 | -29.5 | 172.3 | 53 | 0 | 0 | 0 | 0 | 112.8 | E1447 | S1235-E1447 VanDerWaalsContact O-O 3.08Š|
| 1236 | Q | 51.9 | Low | 60.7 | Low | 88 Ų | 88 | 57.1 Ų | 57.1 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | trans | -135.8 | 145 | 179.7 | -57.6 | -172.1 | -5.5 | 0 | 0 | 110.5 | E1449 | Q1236-E1449 HydrophobicContact CG-CB 4.38Å; Q1236-E1449 PolarHBondContact NE2-OE2 2.93Å | ||
| 1237 | L | 55 | Low | 61.1 | Low | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | trans | -143.1 | 135.4 | 172.7 | -66.3 | 172.6 | 0 | 0 | 0 | 108.8 | P1234 Q1241 C1243 L1448 L1450 | P1234-L1237 HydrophobicContact CB-CD2 3.96Å; P1234-L1237 HydrophobicContact CB-CG 4.19Å; P1234-L1237 HydrophobicContact CG-CD1 4.1Å; P1234-L1237 HydrophobicContact CG-CD2 3.98Å; P1234-L1237 HydrophobicContact CG-CG 4.05Å; L1237-Q1241 VanDerWaalsContact CA-OE1 3.31Å; L1237-Q1241 HydrophobicContact CB-CB 4.4Å; L1237-Q1241 HydrophobicContact CD2-CG 4.24Å; L1237-C1243 HydrophobicContact CD2-CB 3.67Å; L1237-L1448 HydrophobicContact CB-CD1 3.95Å; L1237-L1448 HydrophobicContact CB-CD2 4.15Å; L1237-L1448 HydrophobicContact CB-CG 4.41Å; L1237-L1448 HydrophobicContact CD1-CD1 4.38Å; L1237-L1448 HydrophobicContact CG-CD1 4.11Å; L1237-L1448 WeakPolarHBondContact O-CD2 3.47Å; L1237-L1450 WeakPolarHBondContact O-CD2 3.49Å | ||
| 1238 | Y | 44.3 | Very low | 61.7 | Low | 159 Ų | 159 | 54.1 Ų | 54.1 | 62% | 0.624 | 29% | 0.287 | S | S | * | . | trans | -63.7 | 161.2 | 171.3 | -63.9 | -77.6 | 0 | 0 | 0 | 112 | G1240 Q1241 L1450 | Y1238-G1240 PolarHBondContact O-N 2.92Å; Y1238-G1240 VanDerWaalsContact O-N 3.13Å; Y1238-Q1241 WeakPolarHBondContact O-CB 3.2Å; Y1238-Q1241 PolarHBondContact O-N 2.96Å; Y1238-L1450 VanDerWaalsContact C-CD2 3.46Å; Y1238-L1450 VanDerWaalsContact CA-CD2 3.43Å | ||
| 1239 | E | 42.7 | Very low | 62 | Low | 85 Ų | 85 | 54.1 Ų | 54.1 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 117.9 | -173.7 | -171 | 169.8 | 164.7 | 0 | 0 | 110.6 | Q1241 Y1335 L1336 L1450 | E1239-Q1241 VanDerWaalsContact C-N 3.27Å; E1239-Q1241 PolarHBondContact O-N 3.36Å; E1239-Y1335 HydrophobicContact CG-CD1 3.77Å; E1239-Y1335 HydrophobicContact CG-CE1 4.33Å; E1239-Y1335 HydrophobicContact CG-CG 4.44Å; E1239-Y1335 WeakPolarHBondContact OE1-CA 3.06Å; E1239-Y1335 WeakPolarHBondContact OE1-CD1 3.27Å; E1239-L1336 PolarHBondContact OE1-N 2.91Å; E1239-L1336 WeakPolarHBondContact OE2-CB 3.46Å; E1239-L1336 WeakPolarHBondContact OE2-CG 3.39Å; E1239-L1450 HydrophobicContact CB-CD1 4.27Å; E1239-L1450 HydrophobicContact CB-CD2 4.18Å |
| 1240 | G | 46.9 | Very low | 62.3 | Low | 15 Ų | 15 | 51.8 Ų | 51.8 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y1238 G1333 | Y1238-G1240 PolarHBondContact O-N 2.92Å; Y1238-G1240 VanDerWaalsContact O-N 3.13Å; G1240-G1333 VanDerWaalsContact CA-O 3.27Å; G1240-G1333 WeakPolarHBondContact CA-O 3.48Å; G1240-G1333 PolarHBondContact N-O 3.18Å; G1240-G1333 VanDerWaalsContact N-O 3.09Å |
| 1241 | Q | 50.1 | Low | 62.6 | Low | 76 Ų | 76 | 50.9 Ų | 50.9 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | trans | -58.3 | 137.7 | 179.3 | -178.3 | -174.4 | 6.1 | 0 | 0 | 111.3 | L1237 Y1238 E1239 R1332 G1333 | L1237-Q1241 VanDerWaalsContact CA-OE1 3.31Å; L1237-Q1241 HydrophobicContact CB-CB 4.4Å; L1237-Q1241 HydrophobicContact CD2-CG 4.24Å; Y1238-Q1241 WeakPolarHBondContact O-CB 3.2Å; Y1238-Q1241 PolarHBondContact O-N 2.96Å; E1239-Q1241 VanDerWaalsContact C-N 3.27Å; E1239-Q1241 PolarHBondContact O-N 3.36Å; Q1241-R1332 CarbonylContact O-C 3.08Å; Q1241-R1332 VanDerWaalsContact O-CA 3.26Å; Q1241-R1332 WeakPolarHBondContact O-CA 3.31Å; Q1241-G1333 PolarHBondContact O-N 2.91Å | ||
| 1242 | I | 56.4 | Low | 62.5 | Low | 108 Ų | 108 | 50.6 Ų | 50.6 | 55% | 0.554 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 136.4 | 175.9 | -60.7 | 173.7 | 0 | 0 | 0 | 110.1 | W1330 L1331 R1332 | I1242-W1330 HydrophobicContact CG2-CE3 3.99Å; I1242-L1331 CarbonylContact C-O 3.56Å; I1242-L1331 VanDerWaalsContact CA-O 3.25Å; I1242-L1331 WeakPolarHBondContact CA-O 3.43Å; I1242-R1332 HydrophobicContact CG1-CB 4.26Å; I1242-R1332 HydrophobicContact CG1-CG 3.97Å |
| 1243 | C | 58.6 | Low | 62.7 | Low | 36 Ų | 36 | 47.3 Ų | 47.3 | 24% | 0.243 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 160.8 | 177.6 | -174 | 0 | 0 | 0 | 0 | 110.2 | P1234 L1237 W1330 L1331 | P1234-C1243 HydrophobicContact CG-CB 4.3Å; L1237-C1243 HydrophobicContact CD2-CB 3.67Å; C1243-W1330 CarbonylContact O-C 3.46Å; C1243-W1330 WeakPolarHBondContact O-CA 3.21Å; C1243-L1331 PolarHBondContact N-O 3.37Å; C1243-L1331 PolarHBondContact O-N 2.68Å |
| 1244 | S | 69.6 | Low | 62.5 | Low | 43 Ų | 43 | 50.3 Ų | 50.3 | 30% | 0.301 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.9 | 178.6 | 89.7 | 0 | 0 | 0 | 0 | 112 | K1328 L1329 W1330 | S1244-K1328 WeakPolarHBondContact OG-CE 3.45Å; S1244-K1328 PolarHBondContact OG-NZ 3.44Å; S1244-L1329 WeakPolarHBondContact CA-O 3.05Å; S1244-W1330 VanDerWaalsContact CB-CE3 3.43Å |
| 1245 | V | 69.1 | Low | 62.8 | Low | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.4 | -175 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | F1230 S1232 L1329 L1331 | F1230-V1245 HydrophobicContact CB-CG1 3.96Å; F1230-V1245 HydrophobicContact CD1-CG1 3.96Å; F1230-V1245 HydrophobicContact CG-CG1 4.42Å; S1232-V1245 WeakPolarHBondContact O-CG1 3.23Å; S1232-V1245 WeakPolarHBondContact O-CG2 3.46Å; V1245-L1329 PolarHBondContact N-O 3.29Å; V1245-L1329 PolarHBondContact O-N 3.4Å; V1245-L1331 HydrophobicContact CG2-CD1 3.63Å; V1245-L1331 HydrophobicContact CG2-CG 4.32Å |
| 1246 | Q | 75.1 | Confident | 63.2 | Low | 111 Ų | 111 | 47.5 Ų | 47.5 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 135.5 | 167.2 | -65.5 | -165.2 | 15.1 | 0 | 0 | 109.4 | F1230 S1231 T1326 | F1230-Q1246 CarbonylContact C-O 3.43Å; F1230-Q1246 WeakPolarHBondContact CA-O 3.44Å; S1231-Q1246 PolarHBondContact N-O 2.95Å; S1231-Q1246 PolarHBondContact OG-N 2.87Å; S1231-Q1246 VanDerWaalsContact OG-N 3.07Å; Q1246-T1326 HydrophobicContact CB-CG2 4.47Å |
| 1247 | I | 76.7 | Confident | 64.1 | Low | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.9 | 173.5 | -177.5 | -177.9 | 0 | 0 | 0 | 108.9 | V1228 F1229 F1230 L1249 I1262 F1272 T1326 Q1327 L1329 F1419 | V1228-I1247 HydrophobicContact CG1-CD1 3.77Å; V1228-I1247 HydrophobicContact CG1-CG1 3.91Å; F1229-I1247 CarbonylContact O-C 3.39Å; F1229-I1247 VanDerWaalsContact O-CA 3.27Å; F1229-I1247 WeakPolarHBondContact O-CA 3.23Å; F1229-I1247 WeakPolarHBondContact O-CG1 3.27Å; F1230-I1247 HydrophobicContact CD1-CB 3.8Å; F1230-I1247 HydrophobicContact CD1-CD1 4.34Å; F1230-I1247 HydrophobicContact CD1-CG1 3.92Å; F1230-I1247 HydrophobicContact CE1-CB 3.79Å; F1230-I1247 HydrophobicContact CE1-CD1 3.57Å; F1230-I1247 HydrophobicContact CE1-CG1 3.66Å; F1230-I1247 HydrophobicContact CZ-CD1 3.84Å; F1230-I1247 HydrophobicContact CZ-CG1 4.22Å; I1247-L1249 HydrophobicContact CD1-CD2 4.03Å; I1247-L1249 HydrophobicContact CG1-CD2 4.28Å; I1247-I1262 HydrophobicContact CD1-CD1 4.34Å; I1247-F1272 HydrophobicContact CG2-CE1 3.57Å; I1247-F1272 HydrophobicContact CG2-CZ 4.01Å; I1247-T1326 CarbonylContact O-C 3.55Å; I1247-T1326 WeakPolarHBondContact O-CA 3.27Å; I1247-Q1327 HydrophobicContact CG2-CB 4.5Å; I1247-Q1327 WeakPolarHBondContact CG2-O 3.49Å; I1247-Q1327 PolarHBondContact N-O 3.32Å; I1247-Q1327 PolarHBondContact O-N 3.06Å; I1247-L1329 HydrophobicContact CG2-CB 3.91Å; I1247-F1419 HydrophobicContact CD1-CE1 3.5Å; I1247-F1419 VanDerWaalsContact CD1-CE1 3.5Å; I1247-F1419 HydrophobicContact CD1-CZ 3.95Å |
| 1248 | S | 76.9 | Confident | 64.9 | Low | 19 Ų | 19 | 43.8 Ų | 43.8 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.5 | 170.4 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | V1228 F1229 I1325 T1326 | V1228-S1248 CarbonylContact C-O 3.57Å; V1228-S1248 WeakPolarHBondContact CA-O 3.5Å; F1229-S1248 PolarHBondContact N-O 3.32Å; F1229-S1248 PolarHBondContact O-N 3.25Å; S1248-I1325 CarbonylContact C-O 3.56Å; S1248-I1325 VanDerWaalsContact CA-O 3.3Å; S1248-I1325 WeakPolarHBondContact CA-O 3.01Å; S1248-T1326 VanDerWaalsContact CB-OG1 3.25Å; S1248-T1326 WeakPolarHBondContact CB-OG1 3.4Å |
| 1249 | L | 77.8 | Confident | 66.1 | Low | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 108.6 | -167.9 | -63 | 172.7 | 0 | 0 | 0 | 108.3 | L1226 R1227 V1228 I1247 I1262 V1299 T1324 I1325 F1419 | L1226-L1249 HydrophobicContact CD1-CB 4.45Å; R1227-L1249 WeakPolarHBondContact O-CA 3.37Å; V1228-L1249 HydrophobicContact CB-CD2 4.24Å; V1228-L1249 HydrophobicContact CG1-CD2 3.9Å; V1228-L1249 HydrophobicContact CG2-CD2 3.78Å; I1247-L1249 HydrophobicContact CD1-CD2 4.03Å; I1247-L1249 HydrophobicContact CG1-CD2 4.28Å; L1249-I1262 HydrophobicContact CD1-CD1 4.38Å; L1249-V1299 HydrophobicContact CD1-CB 4.37Å; L1249-V1299 HydrophobicContact CD1-CG1 3.7Å; L1249-V1299 HydrophobicContact CD1-CG2 3.76Å; L1249-T1324 CarbonylContact O-C 3.58Å; L1249-T1324 VanDerWaalsContact O-CA 3.3Å; L1249-T1324 WeakPolarHBondContact O-CA 3.34Å; L1249-I1325 PolarHBondContact N-O 3.3Å; L1249-I1325 PolarHBondContact O-N 3.39Å; L1249-F1419 HydrophobicContact CD2-CD1 4.24Å; L1249-F1419 HydrophobicContact CD2-CE1 4.39Å |
| 1250 | T | 76.2 | Confident | 67.3 | Low | 24 Ų | 24 | 34.6 Ų | 34.6 | 15% | 0.147 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133 | -175.4 | -52.4 | 0 | 0 | 0 | 0 | 110.2 | R1227 S1252 T1323 T1324 | R1227-T1250 PolarHBondContact N-O 3.4Å; R1227-T1250 PolarHBondContact O-N 3.35Å; T1250-S1252 PolarHBondContact O-N 2.77Å; T1250-T1323 WeakPolarHBondContact CA-O 3.35Å; T1250-T1324 WeakPolarHBondContact CB-OG1 3.19Å; T1250-T1324 VanDerWaalsContact CG2-OG1 3.28Å; T1250-T1324 WeakPolarHBondContact CG2-OG1 3.11Å; T1250-T1324 WeakPolarHBondContact OG1-CG2 3.42Å; T1250-T1324 PolarHBondContact OG1-OG1 3.02Å |
| 1251 | N | 77.3 | Confident | 68.4 | Low | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 104.3 | 167.3 | -178.6 | 8.6 | 0 | 0 | 0 | 109 | S1225 G1253 I1255 L1257 L1319 M1320 P1321 G1322 T1323 | S1225-N1251 PolarHBondContact O-OD1 2.89Å; N1251-G1253 WeakPolarHBondContact OD1-CA 3.28Å; N1251-G1253 PolarHBondContact OD1-N 2.98Å; N1251-G1253 PolarHBondContact OD1-O 3.5Å; N1251-I1255 PolarHBondContact ND2-O 3.19Å; N1251-L1257 HydrophobicContact CB-CD1 4.04Å; N1251-L1257 HydrophobicContact CB-CG 4.18Å; N1251-L1319 HydrophobicContact CB-CB 4.41Å; N1251-L1319 HydrophobicContact CB-CD2 3.82Å; N1251-L1319 HydrophobicContact CB-CG 3.8Å; N1251-L1319 PolarHBondContact ND2-O 3.44Å; N1251-M1320 WeakPolarHBondContact CB-O 3.45Å; N1251-P1321 WeakPolarHBondContact ND2-CA 3.22Å; N1251-G1322 WeakPolarHBondContact O-CA 3.43Å; N1251-G1322 PolarHBondContact O-N 3.37Å; N1251-T1323 PolarHBondContact N-O 2.67Å |
| 1252 | S | 64.4 | Low | 69.2 | Low | 54 Ų | 54 | 33.7 Ų | 33.7 | 38% | 0.378 | 19% | 0.186 | S | C | . | . | trans | -97.4 | 16.2 | 175.6 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | S1225 R1227 T1250 | S1225-S1252 CarbonylContact O-C 3.48Å; S1225-S1252 PolarHBondContact O-N 3.04Å; R1227-S1252 VanDerWaalsContact CB-OG 3.29Å; R1227-S1252 WeakPolarHBondContact CB-OG 3.28Å; R1227-S1252 PolarHBondContact NE-OG 3.16Å; T1250-S1252 PolarHBondContact O-N 2.77Å | ||
| 1253 | G | 64.2 | Low | 69.6 | Low | 8 Ų | 8 | 29.3 Ų | 29.3 | 8% | 0.082 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -108.7 | 156.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1225 N1251 I1255 P1321 | S1225-G1253 PolarHBondContact O-N 3.21Å; N1251-G1253 WeakPolarHBondContact OD1-CA 3.28Å; N1251-G1253 PolarHBondContact OD1-N 2.98Å; N1251-G1253 PolarHBondContact OD1-O 3.5Å; G1253-I1255 PolarHBondContact O-N 2.92Å; G1253-I1255 VanDerWaalsContact O-N 3.09Å; G1253-P1321 WeakPolarHBondContact O-CB 3.41Å |
| 1254 | L | 63.2 | Low | 69.8 | Low | 120 Ų | 120 | 28.4 Ų | 28.4 | 63% | 0.628 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -73.5 | 8.1 | 179.2 | -60.7 | 175 | 0 | 0 | 0 | 114.2 | ||
| 1255 | I | 66.4 | Low | 69 | Low | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.062 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -130.9 | 134.5 | -176.9 | -53.5 | 177.1 | 0 | 0 | 0 | 108.6 | P1222 N1251 G1253 S1423 N1425 | P1222-I1255 HydrophobicContact CB-CD1 4.39Å; P1222-I1255 WeakPolarHBondContact O-CD1 3.34Å; N1251-I1255 PolarHBondContact ND2-O 3.19Å; G1253-I1255 PolarHBondContact O-N 2.92Å; G1253-I1255 VanDerWaalsContact O-N 3.09Å; I1255-S1423 VanDerWaalsContact CG2-OG 3.25Å; I1255-S1423 WeakPolarHBondContact CG2-OG 3.29Å; I1255-N1425 HydrophobicContact CG2-CB 4.2Å; I1255-N1425 VanDerWaalsContact CG2-CG 3.49Å; I1255-N1425 WeakPolarHBondContact CG2-OD1 3.46Å |
| 1256 | P | 65.1 | Low | 68.5 | Low | 23 Ų | 23 | 32.6 Ų | 32.6 | 15% | 0.149 | 18% | 0.182 | C | C | . | . | trans | -56.3 | 138.9 | 173.5 | -21.1 | 29.9 | 0 | 0 | 0 | 112.4 | V1318 M1320 P1321 T1424 | P1256-V1318 HydrophobicContact CB-CG1 4.33Å; P1256-M1320 HydrophobicContact CB-SD 3.85Å; P1256-M1320 HydrophobicContact CG-CE 4.11Å; P1256-M1320 HydrophobicContact CG-SD 3.81Å; P1256-P1321 HydrophobicContact CG-CG 4.44Å; P1256-T1424 HydrophobicContact CB-CG2 3.95Å; P1256-T1424 WeakPolarHBondContact CD-OG1 3.47Å; P1256-T1424 PolarHBondContact O-N 2.97Å; P1256-T1424 PolarHBondContact O-OG1 3.31Å | ||
| 1257 | L | 70.7 | Confident | 67.5 | Low | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 147.2 | 176.2 | -51.2 | -176.8 | 0 | 0 | 0 | 110.2 | P1224 L1226 N1251 L1260 V1318 L1319 Y1421 E1422 | P1224-L1257 HydrophobicContact CB-CD2 3.29Å; L1226-L1257 HydrophobicContact CB-CD1 3.82Å; L1226-L1257 HydrophobicContact CD1-CD1 3.7Å; L1226-L1257 HydrophobicContact CG-CD1 4.34Å; N1251-L1257 HydrophobicContact CB-CD1 4.04Å; N1251-L1257 HydrophobicContact CB-CG 4.18Å; L1257-L1260 HydrophobicContact CB-CD2 4.05Å; L1257-L1260 HydrophobicContact CD1-CD2 4.35Å; L1257-V1318 CarbonylContact O-C 3.54Å; L1257-V1318 WeakPolarHBondContact O-CA 3.44Å; L1257-L1319 HydrophobicContact CB-CB 4.4Å; L1257-L1319 PolarHBondContact N-O 3.39Å; L1257-L1319 PolarHBondContact O-N 2.83Å; L1257-Y1421 HydrophobicContact CD1-CD2 4.16Å; L1257-Y1421 HydrophobicContact CD1-CG 4.37Å; L1257-Y1421 HydrophobicContact CD2-CD2 3.84Å; L1257-Y1421 HydrophobicContact CD2-CE2 4.15Å; L1257-Y1421 HydrophobicContact CG-CD2 4.47Å; L1257-E1422 WeakPolarHBondContact CA-O 3.37Å |
| 1258 | T | 70.4 | Confident | 66.7 | Low | 22 Ų | 22 | 31 Ų | 31 | 14% | 0.135 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 166.8 | 171.7 | 43.3 | 0 | 0 | 0 | 0 | 111 | L1260 S1317 V1318 E1422 T1424 | T1258-L1260 PolarHBondContact O-N 2.89Å; T1258-S1317 WeakPolarHBondContact CA-O 3.49Å; T1258-V1318 HydrophobicContact CG2-CB 4.44Å; T1258-V1318 HydrophobicContact CG2-CG2 3.92Å; T1258-E1422 PolarHBondContact N-O 3.33Å; T1258-E1422 VanDerWaalsContact N-O 3.09Å; T1258-E1422 PolarHBondContact O-N 2.94Å; T1258-T1424 HydrophobicContact CG2-CG2 3.69Å |
| 1259 | N | 69.2 | Low | 66 | Low | 51 Ų | 51 | 31.4 Ų | 31.4 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56 | 47.7 | 175.1 | -62.8 | -24.1 | 0 | 0 | 0 | 113 | R1261 P1316 E1422 | N1259-R1261 PolarHBondContact O-N 3.33Å; N1259-P1316 WeakPolarHBondContact OD1-CB 3.08Å; N1259-E1422 PolarHBondContact ND2-OE2 3.35Å |
| 1260 | L | 68 | Low | 65.4 | Low | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 117.7 | 177.2 | -61.1 | -174 | 0 | 0 | 0 | 110.6 | L1226 L1257 T1258 V1299 L1319 | L1226-L1260 HydrophobicContact CD1-CD2 4.15Å; L1226-L1260 HydrophobicContact CD2-CD2 4.27Å; L1257-L1260 HydrophobicContact CB-CD2 4.05Å; L1257-L1260 HydrophobicContact CD1-CD2 4.35Å; T1258-L1260 PolarHBondContact O-N 2.89Å; L1260-V1299 HydrophobicContact CB-CB 4.03Å; L1260-V1299 HydrophobicContact CB-CG2 3.95Å; L1260-V1299 PolarHBondContact O-N 3.14Å; L1260-L1319 HydrophobicContact CD1-CB 3.98Å; L1260-L1319 HydrophobicContact CD1-CD2 3.91Å; L1260-L1319 HydrophobicContact CD1-CG 4.49Å |
| 1261 | R | 70.4 | Confident | 64.8 | Low | 70 Ų | 70 | 33.3 Ų | 33.3 | 26% | 0.264 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.7 | -173.1 | -82.3 | 176.9 | 177.3 | 178.7 | 0.8 | 112 | N1259 W1296 I1297 D1298 F1419 Q1420 | N1259-R1261 PolarHBondContact O-N 3.33Å; R1261-W1296 HydrophobicContact CB-CB 4.23Å; R1261-I1297 CarbonylContact C-O 3.52Å; R1261-I1297 WeakPolarHBondContact CA-O 3.45Å; R1261-D1298 WeakPolarHBondContact CG-OD1 3.32Å; R1261-D1298 IonicContact CZ-OD1 3.02Å; R1261-D1298 IonicContact NE-OD1 2.78Å; R1261-D1298 PolarHBondContact NE-OD1 2.96Å; R1261-D1298 IonicContact NH2-OD1 3.96Å; R1261-D1298 PolarHBondContact NH2-OD1 3.18Å; R1261-F1419 CarbonylContact O-C 3.51Å; R1261-F1419 WeakPolarHBondContact O-CA 3.29Å; R1261-Q1420 HydrophobicContact CB-CB 4.09Å; R1261-Q1420 PolarHBondContact N-O 2.77Å; R1261-Q1420 PolarHBondContact O-N 3.04Å |
| 1262 | I | 67.7 | Low | 64 | Low | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 103.4 | -175.7 | -60.6 | -176.4 | 0 | 0 | 0 | 109.2 | I1247 L1249 F1270 F1272 W1296 I1297 V1299 I1417 F1419 | I1247-I1262 HydrophobicContact CD1-CD1 4.34Å; L1249-I1262 HydrophobicContact CD1-CD1 4.38Å; I1262-F1270 HydrophobicContact CG2-CE2 4.01Å; I1262-F1272 HydrophobicContact CB-CE2 4.25Å; I1262-F1272 HydrophobicContact CD1-CE2 3.55Å; I1262-F1272 HydrophobicContact CD1-CZ 3.37Å; I1262-F1272 HydrophobicContact CG1-CE2 4.36Å; I1262-F1272 HydrophobicContact CG2-CE2 4.4Å; I1262-W1296 CarbonylContact O-C 3.38Å; I1262-W1296 WeakPolarHBondContact O-CA 3.38Å; I1262-I1297 PolarHBondContact N-O 3.46Å; I1262-I1297 PolarHBondContact O-N 3.21Å; I1262-V1299 HydrophobicContact CD1-CG2 3.62Å; I1262-V1299 HydrophobicContact CG1-CG2 3.82Å; I1262-I1417 HydrophobicContact CG2-CG2 3.57Å; I1262-F1419 HydrophobicContact CB-CD1 4.48Å; I1262-F1419 HydrophobicContact CD1-CD1 3.72Å; I1262-F1419 HydrophobicContact CD1-CE1 3.59Å; I1262-F1419 HydrophobicContact CG1-CD1 3.59Å; I1262-F1419 HydrophobicContact CG1-CE1 3.87Å; I1262-F1419 HydrophobicContact CG2-CD1 4.32Å; I1262-F1419 HydrophobicContact CG2-CE1 4.03Å |
| 1263 | A | 65.2 | Low | 63.6 | Low | 16 Ų | 16 | 33 Ų | 33 | 13% | 0.132 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 167.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1295 W1296 I1417 V1418 | A1263-P1295 WeakPolarHBondContact CA-O 3.06Å; A1263-P1295 WeakPolarHBondContact CB-O 3.39Å; A1263-W1296 HydrophobicContact CB-CB 4.11Å; A1263-I1417 CarbonylContact O-C 3.53Å; A1263-I1417 WeakPolarHBondContact O-CA 3.5Å; A1263-V1418 WeakPolarHBondContact CA-O 3.39Å; A1263-V1418 HydrophobicContact CB-CB 4.36Å; A1263-V1418 VanDerWaalsContact CB-O 3.31Å; A1263-V1418 WeakPolarHBondContact CB-O 3.35Å; A1263-V1418 PolarHBondContact N-O 3.47Å; A1263-V1418 PolarHBondContact O-N 3.14Å |
| 1264 | S | 61.3 | Low | 62.8 | Low | 16 Ų | 16 | 37.3 Ų | 37.3 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 161.2 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 113.1 | C1266 F1270 P1295 H1416 | S1264-C1266 PolarHBondContact O-N 3.33Å; S1264-C1266 PolarHBondContact OG-N 2.87Å; S1264-F1270 VanDerWaalsContact CB-CZ 3.42Å; S1264-P1295 PolarHBondContact N-O 2.94Å; S1264-H1416 VanDerWaalsContact CA-O 3.26Å; S1264-H1416 WeakPolarHBondContact CA-O 3.23Å; S1264-H1416 PolarHBondContact OG-O 3.29Å |
| 1265 | N | 54.2 | Low | 61.6 | Low | 84 Ų | 84 | 36.2 Ų | 36.2 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -66.6 | -22.6 | 164.7 | 64.4 | -29.6 | 0 | 0 | 0 | 113 | T1414 H1416 | N1265-T1414 PolarHBondContact ND2-O 3.12Å; N1265-H1416 HydrophobicContact CB-CB 4.46Å; N1265-H1416 PolarHBondContact N-O 2.92Å; N1265-H1416 PolarHBondContact OD1-N 2.88Å; N1265-H1416 PolarHBondContact OD1-O 3.08Å |
| 1266 | C | 57.3 | Low | 60.1 | Low | 49 Ų | 49 | 41.2 Ų | 41.2 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | trans | -138.4 | 75 | -177 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | S1264 G1268 L1269 | S1264-C1266 PolarHBondContact O-N 3.33Å; S1264-C1266 PolarHBondContact OG-N 2.87Å; C1266-G1268 VanDerWaalsContact C-N 3.26Å; C1266-G1268 PolarHBondContact O-N 3.1Å; C1266-L1269 HydrophobicContact CB-CB 4.48Å; C1266-L1269 HydrophobicContact CB-CD1 3.5Å; C1266-L1269 HydrophobicContact CB-CG 3.75Å; C1266-L1269 PolarHBondContact O-N 2.95Å; C1266-L1269 VanDerWaalsContact O-N 3.12Å | ||
| 1267 | P | 54.1 | Low | 58.7 | Low | 29 Ų | 29 | 48.3 Ų | 48.3 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -58.5 | -33.8 | -176.8 | 21.6 | -32.5 | 0 | 0 | 0 | 113.6 | L1269 F1270 L1293 | P1267-L1269 PolarHBondContact O-N 2.91Å; P1267-F1270 PolarHBondContact O-N 3.23Å; P1267-L1293 HydrophobicContact CB-CB 4.22Å; P1267-L1293 HydrophobicContact CB-CD1 4.45Å; P1267-L1293 HydrophobicContact CG-CB 4.11Å |
| 1268 | G | 60 | Low | 57 | Low | 49 Ų | 49 | 54.5 Ų | 54.5 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -67.7 | 4.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | C1266 | C1266-G1268 VanDerWaalsContact C-N 3.26Å; C1266-G1268 PolarHBondContact O-N 3.1Å |
| 1269 | L | 62 | Low | 55.4 | Low | 27 Ų | 27 | 60.1 Ų | 60.1 | 14% | 0.141 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -99 | -0.1 | 173.6 | -57.6 | -178.1 | 0 | 0 | 0 | 113.6 | C1266 P1267 L1331 R1332 P1334 V1415 | C1266-L1269 HydrophobicContact CB-CB 4.48Å; C1266-L1269 HydrophobicContact CB-CD1 3.5Å; C1266-L1269 HydrophobicContact CB-CG 3.75Å; C1266-L1269 PolarHBondContact O-N 2.95Å; C1266-L1269 VanDerWaalsContact O-N 3.12Å; P1267-L1269 PolarHBondContact O-N 2.91Å; L1269-L1331 CarbonylContact O-C 3.56Å; L1269-L1331 WeakPolarHBondContact O-CA 3.37Å; L1269-R1332 PolarHBondContact O-N 2.86Å; L1269-P1334 HydrophobicContact CD1-CB 4.01Å; L1269-P1334 HydrophobicContact CD1-CG 4.47Å; L1269-P1334 HydrophobicContact CD2-CB 3.98Å; L1269-V1415 HydrophobicContact CD1-CG2 4.12Å |
| 1270 | F | 66.8 | Low | 53.7 | Low | 16 Ų | 16 | 60.5 Ų | 60.5 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 157.4 | 177 | 61.7 | -79 | 0 | 0 | 0 | 113.9 | I1262 S1264 P1267 I1297 L1329 W1330 L1331 | I1262-F1270 HydrophobicContact CG2-CE2 4.01Å; S1264-F1270 VanDerWaalsContact CB-CZ 3.42Å; P1267-F1270 PolarHBondContact O-N 3.23Å; F1270-I1297 HydrophobicContact CD2-CD1 4.22Å; F1270-I1297 HydrophobicContact CE2-CD1 3.8Å; F1270-L1329 HydrophobicContact CB-CD1 3.95Å; F1270-L1329 HydrophobicContact CD2-CD1 3.88Å; F1270-L1329 HydrophobicContact CG-CD1 4.32Å; F1270-W1330 CarbonylContact C-O 3.59Å; F1270-W1330 WeakPolarHBondContact CA-O 3.47Å; F1270-W1330 WeakPolarHBondContact CB-O 3.26Å; F1270-L1331 HydrophobicContact CB-CD2 3.95Å |
| 1271 | A | 63 | Low | 52.3 | Low | 51 Ų | 51 | 66.2 Ų | 66.2 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 150.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1330 | A1271-W1330 PolarHBondContact N-O 3.23Å; A1271-W1330 PolarHBondContact O-N 2.93Å |
| 1272 | F | 60.5 | Low | 50.2 | Low | 36 Ų | 36 | 70.3 Ų | 70.3 | 16% | 0.158 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131.2 | 169.4 | -79.1 | -75.1 | 0 | 0 | 0 | 110.6 | I1247 I1262 I1297 Q1327 L1329 | I1247-F1272 HydrophobicContact CG2-CE1 3.57Å; I1247-F1272 HydrophobicContact CG2-CZ 4.01Å; I1262-F1272 HydrophobicContact CB-CE2 4.25Å; I1262-F1272 HydrophobicContact CD1-CE2 3.55Å; I1262-F1272 HydrophobicContact CD1-CZ 3.37Å; I1262-F1272 HydrophobicContact CG1-CE2 4.36Å; I1262-F1272 HydrophobicContact CG2-CE2 4.4Å; F1272-I1297 HydrophobicContact CD2-CG2 4.2Å; F1272-Q1327 HydrophobicContact CD1-CB 4.14Å; F1272-Q1327 HydrophobicContact CD1-CG 3.56Å; F1272-Q1327 HydrophobicContact CE1-CB 4.08Å; F1272-Q1327 HydrophobicContact CE1-CG 4.02Å; F1272-L1329 HydrophobicContact CD1-CD1 4.41Å; F1272-L1329 HydrophobicContact CD2-CD1 4.29Å; F1272-L1329 HydrophobicContact CE1-CB 4.08Å; F1272-L1329 HydrophobicContact CE1-CD1 4.03Å; F1272-L1329 HydrophobicContact CE2-CD1 3.87Å; F1272-L1329 HydrophobicContact CZ-CB 4.45Å; F1272-L1329 HydrophobicContact CZ-CD1 3.73Å |
| 1273 | G | 55.2 | Low | 48.2 | Very low | 11 Ų | 11 | 79.2 Ų | 79.2 | 11% | 0.113 | 46% | 0.458 | C | S | . | . | trans | -140 | 113.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1328 | G1273-K1328 PolarHBondContact N-O 3.45Š| ||
| 1274 | S | 47.3 | Very low | 46.5 | Very low | 98 Ų | 98 | 86.9 Ų | 86.9 | 69% | 0.685 | 49% | 0.491 | S | S | * | . | trans | -93.5 | -28.6 | 168.3 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1275 | V | 38.3 | Very low | 45 | Very low | 98 Ų | 98 | 92.5 Ų | 92.5 | 59% | 0.594 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -76.2 | 130.4 | 175.5 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | Y1277 | V1275-Y1277 PolarHBondContact O-N 3.42Å; V1275-Y1277 VanDerWaalsContact O-N 3.08Å |
| 1276 | P | 35.7 | Very low | 43.6 | Very low | 116 Ų | 116 | 97 Ų | 97 | 75% | 0.753 | 54% | 0.536 | S | S | * | . | trans | -66.1 | 108.3 | 163.4 | 28.4 | -31.3 | 0 | 0 | 0 | 107.5 | D1278 | P1276-D1278 PolarHBondContact O-N 3.26Š| ||
| 1277 | Y | 36.3 | Very low | 42.2 | Very low | 173 Ų | 173 | 105 Ų | 105 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | trans | -63.4 | 103.7 | 164.4 | -74.5 | -85.1 | 0 | 0 | 0 | 107 | V1275 L1279 | V1275-Y1277 PolarHBondContact O-N 3.42Å; V1275-Y1277 VanDerWaalsContact O-N 3.08Å; Y1277-L1279 PolarHBondContact O-N 3.28Å | ||
| 1278 | D | 34.8 | Very low | 40.8 | Very low | 130 Ų | 130 | 110.9 Ų | 110.9 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | trans | -65 | 104 | 164.9 | 177.9 | 30.5 | 0 | 0 | 0 | 107.2 | P1276 S1280 | P1276-D1278 PolarHBondContact O-N 3.26Å; D1278-S1280 VanDerWaalsContact CG-OG 3.28Å; D1278-S1280 PolarHBondContact O-N 2.97Å; D1278-S1280 PolarHBondContact OD1-N 3.39Å; D1278-S1280 WeakPolarHBondContact OD2-CB 3.38Å; D1278-S1280 PolarHBondContact OD2-OG 2.73Å | ||
| 1279 | L | 35.4 | Very low | 39.2 | Very low | 139 Ų | 139 | 113.5 Ų | 113.5 | 73% | 0.728 | 60% | 0.6 | S | S | * | * | trans | -79.7 | 27.3 | -178.2 | -68.3 | 167.1 | 0 | 0 | 0 | 111.4 | Y1277 | Y1277-L1279 PolarHBondContact O-N 3.28Š| ||
| 1280 | S | 34.3 | Very low | 37.6 | Very low | 60 Ų | 60 | 118.9 Ų | 118.9 | 42% | 0.42 | 63% | 0.628 | S | S | . | * | trans | -64 | 127 | 176.6 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | D1278 N1282 | D1278-S1280 VanDerWaalsContact CG-OG 3.28Å; D1278-S1280 PolarHBondContact O-N 2.97Å; D1278-S1280 PolarHBondContact OD1-N 3.39Å; D1278-S1280 WeakPolarHBondContact OD2-CB 3.38Å; D1278-S1280 PolarHBondContact OD2-OG 2.73Å; S1280-N1282 VanDerWaalsContact C-N 3.26Å; S1280-N1282 PolarHBondContact O-N 3.44Å | ||
| 1281 | P | 37.9 | Very low | 35.7 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 78% | 0.779 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -13 | -147.1 | -23.4 | 36.3 | 0 | 0 | 0 | 116 | ||
| 1282 | N | 27.8 | Very low | 34.3 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 83% | 0.834 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 7.2 | -157.8 | -70.3 | -7.8 | 0 | 0 | 0 | 115.5 | S1280 | S1280-N1282 VanDerWaalsContact C-N 3.26Å; S1280-N1282 PolarHBondContact O-N 3.44Å |
| 1283 | K | 25.1 | Very low | 33.4 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -97.7 | 102.7 | 154.3 | -97.8 | -175.1 | 176.6 | 176.6 | 0 | 108.6 | I1285 | K1283-I1285 PolarHBondContact O-N 3.27Š|
| 1284 | H | 28.2 | Very low | 32.9 | Very low | 178 Ų | 178 | 137 Ų | 137 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | -45 | 115.6 | 174.8 | -97.9 | -74.3 | 0 | 0 | 0 | 110.1 | Q1286 | H1284-Q1286 PolarHBondContact O-N 2.74Š| ||
| 1285 | I | 30.2 | Very low | 33 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | trans | -62.3 | 93.7 | 165.9 | -59.1 | 169.4 | 0 | 0 | 0 | 105.3 | K1283 Y1287 | K1283-I1285 PolarHBondContact O-N 3.27Å; I1285-Y1287 PolarHBondContact O-N 2.7Å | ||
| 1286 | Q | 24.9 | Very low | 33.8 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 69% | 0.691 | S | S | * | * | trans | -59.3 | 110.9 | 171.3 | -87.1 | -169.5 | -21.9 | 0 | 0 | 106.4 | H1284 L1288 | H1284-Q1286 PolarHBondContact O-N 2.74Å; Q1286-L1288 PolarHBondContact O-N 2.83Å | ||
| 1287 | Y | 28.2 | Very low | 34.9 | Very low | 217 Ų | 217 | 131.8 Ų | 131.8 | 85% | 0.851 | 67% | 0.667 | S | S | * | * | trans | -53 | 107.9 | -176.7 | -72.9 | -98.3 | 0 | 0 | 0 | 108.2 | I1285 S1289 | I1285-Y1287 PolarHBondContact O-N 2.7Å; Y1287-S1289 PolarHBondContact O-N 3Å | ||
| 1288 | L | 25.5 | Very low | 36.1 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 80% | 0.801 | 65% | 0.648 | S | S | * | * | trans | -52.7 | 105 | 172 | -82.6 | 165.1 | 0 | 0 | 0 | 106.6 | Q1286 I1290 | Q1286-L1288 PolarHBondContact O-N 2.83Å; L1288-I1290 VanDerWaalsContact O-CG1 3.31Å; L1288-I1290 WeakPolarHBondContact O-CG1 3.13Å; L1288-I1290 PolarHBondContact O-N 3.38Å | ||
| 1289 | S | 26.3 | Very low | 37.5 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 72% | 0.72 | 62% | 0.617 | S | S | * | * | trans | -57.1 | 114.2 | -175.3 | 60.2 | 0 | 0 | 0 | 0 | 106.7 | Y1287 Q1291 | Y1287-S1289 PolarHBondContact O-N 3Å; S1289-Q1291 PolarHBondContact O-N 2.8Å | ||
| 1290 | I | 28.3 | Very low | 38.6 | Very low | 140 Ų | 140 | 116 Ų | 116 | 72% | 0.718 | 60% | 0.598 | S | S | * | * | trans | -74.7 | 79.9 | -166.1 | -50.8 | 179.2 | 0 | 0 | 0 | 108.2 | L1288 L1293 | L1288-I1290 VanDerWaalsContact O-CG1 3.31Å; L1288-I1290 WeakPolarHBondContact O-CG1 3.13Å; L1288-I1290 PolarHBondContact O-N 3.38Å; I1290-L1293 HydrophobicContact CG2-CD1 3.9Å; I1290-L1293 HydrophobicContact CG2-CG 3.89Å | ||
| 1291 | Q | 26.7 | Very low | 39.4 | Very low | 160 Ų | 160 | 116 Ų | 116 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | trans | -48.2 | 137.6 | 155.6 | -71.8 | -161.6 | 0.4 | 0 | 0 | 106.8 | S1289 L1293 | S1289-Q1291 PolarHBondContact O-N 2.8Å; Q1291-L1293 PolarHBondContact O-N 3.04Å | ||
| 1292 | P | 33.6 | Very low | 39.8 | Very low | 128 Ų | 128 | 113.8 Ų | 113.8 | 83% | 0.831 | 58% | 0.584 | S | S | * | * | trans | -55.2 | 105.1 | -166.3 | 22 | -34 | 0 | 0 | 0 | 109.5 | E1294 | P1292-E1294 PolarHBondContact O-N 3.04Å; P1292-E1294 VanDerWaalsContact O-N 3.09Å | ||
| 1293 | L | 41.1 | Very low | 40.3 | Very low | 89 Ų | 89 | 114.3 Ų | 114.3 | 47% | 0.466 | 58% | 0.582 | S | S | . | * | trans | -46.8 | 120.5 | -172.5 | -82.5 | 157 | 0 | 0 | 0 | 108.4 | P1267 I1290 Q1291 | P1267-L1293 HydrophobicContact CB-CB 4.22Å; P1267-L1293 HydrophobicContact CB-CD1 4.45Å; P1267-L1293 HydrophobicContact CG-CB 4.11Å; I1290-L1293 HydrophobicContact CG2-CD1 3.9Å; I1290-L1293 HydrophobicContact CG2-CG 3.89Å; Q1291-L1293 PolarHBondContact O-N 3.04Å | ||
| 1294 | E | 45 | Very low | 40.7 | Very low | 118 Ų | 118 | 110.6 Ų | 110.6 | 55% | 0.551 | 58% | 0.58 | S | S | * | * | trans | -50.3 | 132.9 | 173.6 | -71.4 | -166.5 | -179.7 | 0 | 0 | 107.1 | P1292 W1296 | P1292-E1294 PolarHBondContact O-N 3.04Å; P1292-E1294 VanDerWaalsContact O-N 3.09Å; E1294-W1296 PolarHBondContact O-N 3.19Å; E1294-W1296 PolarHBondContact OE2-NE1 3.22Å | ||
| 1295 | P | 50.3 | Low | 40.9 | Very low | 69 Ų | 69 | 107.4 Ų | 107.4 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -68.5 | 0.6 | -170.3 | 25.8 | -32.6 | 0 | 0 | 0 | 112.7 | A1263 S1264 | A1263-P1295 WeakPolarHBondContact CA-O 3.06Å; A1263-P1295 WeakPolarHBondContact CB-O 3.39Å; S1264-P1295 PolarHBondContact N-O 2.94Å |
| 1296 | W | 54.6 | Low | 40.9 | Very low | 86 Ų | 86 | 108 Ų | 108 | 33% | 0.326 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.6 | 151.7 | 170.6 | 53.3 | 71.8 | 0 | 0 | 0 | 111 | R1261 I1262 A1263 E1294 | R1261-W1296 HydrophobicContact CB-CB 4.23Å; I1262-W1296 CarbonylContact O-C 3.38Å; I1262-W1296 WeakPolarHBondContact O-CA 3.38Å; A1263-W1296 HydrophobicContact CB-CB 4.11Å; E1294-W1296 PolarHBondContact O-N 3.19Å; E1294-W1296 PolarHBondContact OE2-NE1 3.22Å |
| 1297 | I | 59.2 | Low | 41.3 | Very low | 48 Ų | 48 | 106.2 Ų | 106.2 | 25% | 0.246 | 58% | 0.577 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.7 | 169.5 | -55.3 | 178.7 | 0 | 0 | 0 | 108 | R1261 I1262 F1270 F1272 | R1261-I1297 CarbonylContact C-O 3.52Å; R1261-I1297 WeakPolarHBondContact CA-O 3.45Å; I1262-I1297 PolarHBondContact N-O 3.46Å; I1262-I1297 PolarHBondContact O-N 3.21Å; F1270-I1297 HydrophobicContact CD2-CD1 4.22Å; F1270-I1297 HydrophobicContact CE2-CD1 3.8Å; F1272-I1297 HydrophobicContact CD2-CG2 4.2Å |
| 1298 | D | 60.8 | Low | 41.4 | Very low | 53 Ų | 53 | 104 Ų | 104 | 28% | 0.283 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64.6 | 139.2 | 172.5 | -62.9 | -44.3 | 0 | 0 | 0 | 110.4 | R1261 P1300 K1314 | R1261-D1298 WeakPolarHBondContact CG-OD1 3.32Å; R1261-D1298 IonicContact CZ-OD1 3.02Å; R1261-D1298 IonicContact NE-OD1 2.78Å; R1261-D1298 PolarHBondContact NE-OD1 2.96Å; R1261-D1298 IonicContact NH2-OD1 3.96Å; R1261-D1298 PolarHBondContact NH2-OD1 3.18Å; D1298-P1300 WeakPolarHBondContact O-CD 3.13Å; D1298-K1314 IonicContact OD2-NZ 3.95Å; D1298-K1314 PolarHBondContact OD2-NZ 2.81Å; D1298-K1314 VanDerWaalsContact OD2-NZ 3.12Å |
| 1299 | V | 63.7 | Low | 41.6 | Very low | 6 Ų | 6 | 101.8 Ų | 101.8 | 4% | 0.036 | 58% | 0.577 | C | S | . | * | P | Polyproline II helix | trans | -75.8 | 122.6 | 173.1 | 179 | 0 | 0 | 0 | 0 | 109.8 | L1249 L1260 I1262 | L1249-V1299 HydrophobicContact CD1-CB 4.37Å; L1249-V1299 HydrophobicContact CD1-CG1 3.7Å; L1249-V1299 HydrophobicContact CD1-CG2 3.76Å; L1260-V1299 HydrophobicContact CB-CB 4.03Å; L1260-V1299 HydrophobicContact CB-CG2 3.95Å; L1260-V1299 PolarHBondContact O-N 3.14Å; I1262-V1299 HydrophobicContact CD1-CG2 3.62Å; I1262-V1299 HydrophobicContact CG1-CG2 3.82Å |
| 1300 | P | 58.1 | Low | 41.9 | Very low | 52 Ų | 52 | 108.2 Ų | 108.2 | 34% | 0.338 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 133.1 | 175.7 | 29.8 | -33.9 | 0 | 0 | 0 | 111.4 | D1298 Q1327 | D1298-P1300 WeakPolarHBondContact O-CD 3.13Å; P1300-Q1327 HydrophobicContact CG-CG 4.05Å |
| 1301 | C | 51.2 | Low | 41.9 | Very low | 58 Ų | 58 | 106.6 Ų | 106.6 | 39% | 0.392 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -86.4 | 133.4 | 172.4 | -83.2 | 0 | 0 | 0 | 0 | 111.7 | H1303 S1317 | C1301-H1303 VanDerWaalsContact C-N 3.27Å; C1301-H1303 PolarHBondContact O-N 2.71Å; C1301-S1317 WeakPolarHBondContact SG-CB 3.47Å |
| 1302 | S | 47.9 | Very low | 42.4 | Very low | 74 Ų | 74 | 106 Ų | 106 | 52% | 0.517 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -86 | 33.9 | 179.7 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1303 | H | 38.1 | Very low | 42.5 | Very low | 168 Ų | 168 | 102.6 Ų | 102.6 | 78% | 0.778 | 58% | 0.584 | S | S | * | * | trans | -137.7 | 67.1 | -177.4 | -74.3 | -68 | 0 | 0 | 0 | 113.1 | C1301 | C1301-H1303 VanDerWaalsContact C-N 3.27Å; C1301-H1303 PolarHBondContact O-N 2.71Å | ||
| 1304 | S | 33.2 | Very low | 42.7 | Very low | 111 Ų | 111 | 106.6 Ų | 106.6 | 78% | 0.776 | 60% | 0.598 | S | S | * | * | trans | -148.1 | 48.1 | 163.2 | 70 | 0 | 0 | 0 | 0 | 111.2 | L1306 | S1304-L1306 PolarHBondContact O-N 2.62Š| ||
| 1305 | S | 32.4 | Very low | 42.7 | Very low | 111 Ų | 111 | 109.7 Ų | 109.7 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | trans | -79 | 66.2 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1306 | L | 31 | Very low | 42.8 | Very low | 145 Ų | 145 | 109.8 Ų | 109.8 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -168.1 | 151.4 | 154.8 | -130.2 | 71.7 | 0 | 0 | 0 | 112.2 | S1304 | S1304-L1306 PolarHBondContact O-N 2.62Š|
| 1307 | N | 32.4 | Very low | 43 | Very low | 141 Ų | 141 | 106.5 Ų | 106.5 | 75% | 0.754 | 60% | 0.603 | S | S | * | * | trans | 62 | 110.3 | 159.9 | -62.5 | -10.6 | 0 | 0 | 0 | 120.1 | S1309 | N1307-S1309 PolarHBondContact O-N 3.16Š| ||
| 1308 | N | 30.8 | Very low | 43.2 | Very low | 171 Ų | 171 | 107.9 Ų | 107.9 | 91% | 0.914 | 61% | 0.613 | S | S | * | * | trans | -56.4 | 117.4 | 160 | -69.1 | -31.3 | 0 | 0 | 0 | 111.9 | ||||
| 1309 | S | 29.5 | Very low | 43.9 | Very low | 106 Ų | 106 | 105.5 Ų | 105.5 | 74% | 0.741 | 60% | 0.6 | S | S | * | * | trans | -168.9 | 155.4 | 141.2 | 47.6 | 0 | 0 | 0 | 0 | 111.1 | N1307 S1311 | N1307-S1309 PolarHBondContact O-N 3.16Å; S1309-S1311 PolarHBondContact O-N 2.78Å; S1309-S1311 VanDerWaalsContact O-N 3.17Å | ||
| 1310 | Y | 32.3 | Very low | 44.4 | Very low | 239 Ų | 239 | 110 Ų | 110 | 94% | 0.937 | 62% | 0.622 | S | S | * | * | trans | -71.5 | 107.4 | -171.2 | -61.4 | -91.3 | 0 | 0 | 0 | 112.3 | ||||
| 1311 | S | 29.3 | Very low | 45 | Very low | 105 Ų | 105 | 110 Ų | 110 | 73% | 0.734 | 62% | 0.623 | S | S | * | * | trans | -127.2 | 117.9 | 157.1 | 65.8 | 0 | 0 | 0 | 0 | 109.7 | S1309 G1313 | S1309-S1311 PolarHBondContact O-N 2.78Å; S1309-S1311 VanDerWaalsContact O-N 3.17Å; S1311-G1313 VanDerWaalsContact C-N 3.29Å; S1311-G1313 PolarHBondContact O-N 3.28Å | ||
| 1312 | T | 36.4 | Very low | 45.7 | Very low | 148 Ų | 148 | 110.2 Ų | 110.2 | 91% | 0.908 | 64% | 0.635 | S | S | * | * | trans | -88.3 | 6.6 | -173.4 | 44.3 | 0 | 0 | 0 | 0 | 113.6 | K1314 | T1312-K1314 PolarHBondContact O-N 2.94Š| ||
| 1313 | G | 34.6 | Very low | 47 | Very low | 56 Ų | 56 | 109.7 Ų | 109.7 | 58% | 0.577 | 63% | 0.628 | S | S | * | * | trans | -89.2 | 93 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S1311 Q1315 | S1311-G1313 VanDerWaalsContact C-N 3.29Å; S1311-G1313 PolarHBondContact O-N 3.28Å; G1313-Q1315 PolarHBondContact O-N 2.94Å | ||
| 1314 | K | 46.5 | Very low | 48.9 | Very low | 174 Ų | 174 | 105 Ų | 105 | 76% | 0.757 | 61% | 0.612 | S | S | * | * | trans | -53.6 | 108.4 | 165.8 | -73.2 | -178.6 | 175.2 | 179.3 | 0 | 108.8 | D1298 T1312 | D1298-K1314 IonicContact OD2-NZ 3.95Å; D1298-K1314 PolarHBondContact OD2-NZ 2.81Å; D1298-K1314 VanDerWaalsContact OD2-NZ 3.12Å; T1312-K1314 PolarHBondContact O-N 2.94Å | ||
| 1315 | Q | 43.7 | Very low | 50.9 | Low | 182 Ų | 182 | 100.6 Ų | 100.6 | 85% | 0.85 | 58% | 0.579 | S | S | * | * | trans | -65.2 | 134.4 | 171.8 | -72.9 | -171.6 | -11.4 | 0 | 0 | 109.2 | G1313 | G1313-Q1315 PolarHBondContact O-N 2.94Š| ||
| 1316 | P | 52.6 | Low | 52.8 | Low | 72 Ų | 72 | 98.6 Ų | 98.6 | 47% | 0.468 | 56% | 0.562 | S | S | . | * | trans | -68.1 | 136.9 | -177.6 | 28.7 | -35.1 | 0 | 0 | 0 | 110.4 | N1259 V1318 | N1259-P1316 WeakPolarHBondContact OD1-CB 3.08Å; P1316-V1318 PolarHBondContact O-N 3.45Å | ||
| 1317 | S | 59.3 | Low | 54.9 | Low | 16 Ų | 16 | 92.8 Ų | 92.8 | 11% | 0.112 | 53% | 0.531 | C | S | . | . | trans | -64.3 | 102.1 | -179.2 | 39.5 | 0 | 0 | 0 | 0 | 111.6 | T1258 C1301 | T1258-S1317 WeakPolarHBondContact CA-O 3.49Å; C1301-S1317 WeakPolarHBondContact SG-CB 3.47Å | ||
| 1318 | V | 64.7 | Low | 56.7 | Low | 78 Ų | 78 | 89.9 Ų | 89.9 | 47% | 0.473 | 51% | 0.512 | S | S | . | . | trans | -83.1 | 120.1 | 173.4 | -172 | 0 | 0 | 0 | 0 | 109.4 | P1256 L1257 T1258 P1316 M1320 | P1256-V1318 HydrophobicContact CB-CG1 4.33Å; L1257-V1318 CarbonylContact O-C 3.54Å; L1257-V1318 WeakPolarHBondContact O-CA 3.44Å; T1258-V1318 HydrophobicContact CG2-CB 4.44Å; T1258-V1318 HydrophobicContact CG2-CG2 3.92Å; P1316-V1318 PolarHBondContact O-N 3.45Å; V1318-M1320 HydrophobicContact CG1-CG 4.43Å; V1318-M1320 HydrophobicContact CG1-SD 3.9Å | ||
| 1319 | L | 74.1 | Confident | 58.9 | Low | 2 Ų | 2 | 81.9 Ų | 81.9 | 1% | 0.01 | 47% | 0.469 | C | S | . | . | B | Isolated β-bridge | trans | -111.5 | 101.7 | 172.3 | -168.9 | 71.4 | 0 | 0 | 0 | 109 | L1226 N1251 L1257 L1260 T1323 I1325 | L1226-L1319 HydrophobicContact CD1-CD2 3.82Å; N1251-L1319 HydrophobicContact CB-CB 4.41Å; N1251-L1319 HydrophobicContact CB-CD2 3.82Å; N1251-L1319 HydrophobicContact CB-CG 3.8Å; N1251-L1319 PolarHBondContact ND2-O 3.44Å; L1257-L1319 HydrophobicContact CB-CB 4.4Å; L1257-L1319 PolarHBondContact N-O 3.39Å; L1257-L1319 PolarHBondContact O-N 2.83Å; L1260-L1319 HydrophobicContact CD1-CB 3.98Å; L1260-L1319 HydrophobicContact CD1-CD2 3.91Å; L1260-L1319 HydrophobicContact CD1-CG 4.49Å; L1319-T1323 VanDerWaalsContact CD1-OG1 3.29Å; L1319-T1323 WeakPolarHBondContact CD1-OG1 3.33Å; L1319-I1325 HydrophobicContact CD1-CB 4.5Å; L1319-I1325 HydrophobicContact CD1-CD1 3.75Å; L1319-I1325 HydrophobicContact CD1-CG1 3.72Å |
| 1320 | M | 74.1 | Confident | 60.8 | Low | 100 Ų | 100 | 81.1 Ų | 81.1 | 49% | 0.493 | 45% | 0.45 | S | S | . | . | trans | -66.6 | 151.9 | -178.6 | -65.5 | -61.7 | -72.9 | 0 | 0 | 111.4 | N1251 P1256 V1318 G1322 T1323 | N1251-M1320 WeakPolarHBondContact CB-O 3.45Å; P1256-M1320 HydrophobicContact CB-SD 3.85Å; P1256-M1320 HydrophobicContact CG-CE 4.11Å; P1256-M1320 HydrophobicContact CG-SD 3.81Å; V1318-M1320 HydrophobicContact CG1-CG 4.43Å; V1318-M1320 HydrophobicContact CG1-SD 3.9Å; M1320-G1322 PolarHBondContact O-N 2.88Å; M1320-T1323 HydrophobicContact CB-CG2 3.91Å; M1320-T1323 PolarHBondContact N-OG1 3.16Å; M1320-T1323 VanDerWaalsContact N-OG1 3.11Å; M1320-T1323 WeakPolarHBondContact O-CB 3.37Å; M1320-T1323 PolarHBondContact O-N 3.23Å; M1320-T1323 PolarHBondContact O-OG1 3.08Å | ||
| 1321 | P | 70.1 | Confident | 62.6 | Low | 54 Ų | 54 | 70.2 Ų | 70.2 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | 134.5 | 175.4 | -30.7 | 38.3 | 0 | 0 | 0 | 112.5 | N1251 G1253 P1256 T1323 | N1251-P1321 WeakPolarHBondContact ND2-CA 3.22Å; G1253-P1321 WeakPolarHBondContact O-CB 3.41Å; P1256-P1321 HydrophobicContact CG-CG 4.44Å; P1321-T1323 PolarHBondContact O-N 2.78Å |
| 1322 | G | 67.7 | Low | 64 | Low | 62 Ų | 62 | 69.9 Ų | 69.9 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -24.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N1251 M1320 | N1251-G1322 WeakPolarHBondContact O-CA 3.43Å; N1251-G1322 PolarHBondContact O-N 3.37Å; M1320-G1322 PolarHBondContact O-N 2.88Å |
| 1323 | T | 74.9 | Confident | 65.1 | Low | 62 Ų | 62 | 62.9 Ų | 62.9 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | trans | -74.6 | 153.1 | -175.1 | 66.7 | 0 | 0 | 0 | 0 | 113.4 | T1250 N1251 L1319 M1320 P1321 | T1250-T1323 WeakPolarHBondContact CA-O 3.35Å; N1251-T1323 PolarHBondContact N-O 2.67Å; L1319-T1323 VanDerWaalsContact CD1-OG1 3.29Å; L1319-T1323 WeakPolarHBondContact CD1-OG1 3.33Å; M1320-T1323 HydrophobicContact CB-CG2 3.91Å; M1320-T1323 PolarHBondContact N-OG1 3.16Å; M1320-T1323 VanDerWaalsContact N-OG1 3.11Å; M1320-T1323 WeakPolarHBondContact O-CB 3.37Å; M1320-T1323 PolarHBondContact O-N 3.23Å; M1320-T1323 PolarHBondContact O-OG1 3.08Å; P1321-T1323 PolarHBondContact O-N 2.78Å | ||
| 1324 | T | 77.4 | Confident | 65.9 | Low | 71 Ų | 71 | 61.3 Ų | 61.3 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.5 | -177.5 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | L1249 T1250 | L1249-T1324 CarbonylContact O-C 3.58Å; L1249-T1324 VanDerWaalsContact O-CA 3.3Å; L1249-T1324 WeakPolarHBondContact O-CA 3.34Å; T1250-T1324 WeakPolarHBondContact CB-OG1 3.19Å; T1250-T1324 VanDerWaalsContact CG2-OG1 3.28Å; T1250-T1324 WeakPolarHBondContact CG2-OG1 3.11Å; T1250-T1324 WeakPolarHBondContact OG1-CG2 3.42Å; T1250-T1324 PolarHBondContact OG1-OG1 3.02Å |
| 1325 | I | 74.3 | Confident | 65.9 | Low | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.092 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.6 | 169.6 | -67.9 | 170.3 | 0 | 0 | 0 | 108.7 | S1248 L1249 L1319 | S1248-I1325 CarbonylContact C-O 3.56Å; S1248-I1325 VanDerWaalsContact CA-O 3.3Å; S1248-I1325 WeakPolarHBondContact CA-O 3.01Å; L1249-I1325 PolarHBondContact N-O 3.3Å; L1249-I1325 PolarHBondContact O-N 3.39Å; L1319-I1325 HydrophobicContact CD1-CB 4.5Å; L1319-I1325 HydrophobicContact CD1-CD1 3.75Å; L1319-I1325 HydrophobicContact CD1-CG1 3.72Å |
| 1326 | T | 73.9 | Confident | 65.7 | Low | 69 Ų | 69 | 52.5 Ų | 52.5 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | Q1246 I1247 S1248 | Q1246-T1326 HydrophobicContact CB-CG2 4.47Å; I1247-T1326 CarbonylContact O-C 3.55Å; I1247-T1326 WeakPolarHBondContact O-CA 3.27Å; S1248-T1326 VanDerWaalsContact CB-OG1 3.25Å; S1248-T1326 WeakPolarHBondContact CB-OG1 3.4Å |
| 1327 | Q | 73.8 | Confident | 64.8 | Low | 22 Ų | 22 | 53.7 Ų | 53.7 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 155 | -173.6 | -161.1 | 65.1 | 27.2 | 0 | 0 | 111.2 | I1247 F1272 P1300 | I1247-Q1327 HydrophobicContact CG2-CB 4.5Å; I1247-Q1327 WeakPolarHBondContact CG2-O 3.49Å; I1247-Q1327 PolarHBondContact N-O 3.32Å; I1247-Q1327 PolarHBondContact O-N 3.06Å; F1272-Q1327 HydrophobicContact CD1-CB 4.14Å; F1272-Q1327 HydrophobicContact CD1-CG 3.56Å; F1272-Q1327 HydrophobicContact CE1-CB 4.08Å; F1272-Q1327 HydrophobicContact CE1-CG 4.02Å; P1300-Q1327 HydrophobicContact CG-CG 4.05Å |
| 1328 | K | 69.9 | Low | 63.4 | Low | 81 Ų | 81 | 61.9 Ų | 61.9 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120 | 175.4 | -166 | 170 | -179.3 | 174.5 | 0 | 111.4 | S1244 G1273 W1330 | S1244-K1328 WeakPolarHBondContact OG-CE 3.45Å; S1244-K1328 PolarHBondContact OG-NZ 3.44Å; G1273-K1328 PolarHBondContact N-O 3.45Å; K1328-W1330 HydrophobicContact CD-CZ2 4.19Å |
| 1329 | L | 76.8 | Confident | 62 | Low | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.9 | 176.1 | 179.4 | 67.7 | 0 | 0 | 0 | 109.4 | F1230 S1244 V1245 I1247 F1270 F1272 L1331 | F1230-L1329 HydrophobicContact CE1-CD2 3.79Å; S1244-L1329 WeakPolarHBondContact CA-O 3.05Å; V1245-L1329 PolarHBondContact N-O 3.29Å; V1245-L1329 PolarHBondContact O-N 3.4Å; I1247-L1329 HydrophobicContact CG2-CB 3.91Å; F1270-L1329 HydrophobicContact CB-CD1 3.95Å; F1270-L1329 HydrophobicContact CD2-CD1 3.88Å; F1270-L1329 HydrophobicContact CG-CD1 4.32Å; F1272-L1329 HydrophobicContact CD1-CD1 4.41Å; F1272-L1329 HydrophobicContact CD2-CD1 4.29Å; F1272-L1329 HydrophobicContact CE1-CB 4.08Å; F1272-L1329 HydrophobicContact CE1-CD1 4.03Å; F1272-L1329 HydrophobicContact CE2-CD1 3.87Å; F1272-L1329 HydrophobicContact CZ-CB 4.45Å; F1272-L1329 HydrophobicContact CZ-CD1 3.73Å; L1329-L1331 HydrophobicContact CD2-CD2 3.88Å; L1329-L1331 HydrophobicContact CG-CD2 4.09Å |
| 1330 | W | 70.4 | Confident | 59.7 | Low | 90 Ų | 90 | 74.1 Ų | 74.1 | 34% | 0.341 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 141.9 | 171.5 | -60.6 | 81.7 | 0 | 0 | 0 | 109.2 | I1242 C1243 S1244 F1270 A1271 K1328 | I1242-W1330 HydrophobicContact CG2-CE3 3.99Å; C1243-W1330 CarbonylContact O-C 3.46Å; C1243-W1330 WeakPolarHBondContact O-CA 3.21Å; S1244-W1330 VanDerWaalsContact CB-CE3 3.43Å; F1270-W1330 CarbonylContact C-O 3.59Å; F1270-W1330 WeakPolarHBondContact CA-O 3.47Å; F1270-W1330 WeakPolarHBondContact CB-O 3.26Å; A1271-W1330 PolarHBondContact N-O 3.23Å; A1271-W1330 PolarHBondContact O-N 2.93Å; K1328-W1330 HydrophobicContact CD-CZ2 4.19Å |
| 1331 | L | 69.8 | Low | 57.5 | Low | 11 Ų | 11 | 75.2 Ų | 75.2 | 6% | 0.058 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 151.3 | -177.8 | -59.7 | 175.9 | 0 | 0 | 0 | 109.8 | F1233 P1234 I1242 C1243 V1245 L1269 F1270 L1329 | F1233-L1331 HydrophobicContact CD1-CD1 4.39Å; F1233-L1331 HydrophobicContact CD2-CD1 4.02Å; F1233-L1331 HydrophobicContact CE1-CD1 3.96Å; F1233-L1331 HydrophobicContact CE2-CD1 3.56Å; F1233-L1331 HydrophobicContact CE2-CD2 4.22Å; F1233-L1331 HydrophobicContact CG-CD1 4.41Å; F1233-L1331 HydrophobicContact CZ-CD1 3.53Å; F1233-L1331 HydrophobicContact CZ-CD2 4.23Å; P1234-L1331 HydrophobicContact CG-CD1 4.01Å; I1242-L1331 CarbonylContact C-O 3.56Å; I1242-L1331 VanDerWaalsContact CA-O 3.25Å; I1242-L1331 WeakPolarHBondContact CA-O 3.43Å; C1243-L1331 PolarHBondContact N-O 3.37Å; C1243-L1331 PolarHBondContact O-N 2.68Å; V1245-L1331 HydrophobicContact CG2-CD1 3.63Å; V1245-L1331 HydrophobicContact CG2-CG 4.32Å; L1269-L1331 CarbonylContact O-C 3.56Å; L1269-L1331 WeakPolarHBondContact O-CA 3.37Å; F1270-L1331 HydrophobicContact CB-CD2 3.95Å; L1329-L1331 HydrophobicContact CD2-CD2 3.88Å; L1329-L1331 HydrophobicContact CG-CD2 4.09Å |
| 1332 | R | 58.8 | Low | 55.3 | Low | 98 Ų | 98 | 84.5 Ų | 84.5 | 37% | 0.37 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 136.3 | 179.2 | -171.9 | -177.2 | -174.9 | 180 | 4.7 | 112.4 | Q1241 I1242 L1269 Y1335 | Q1241-R1332 CarbonylContact O-C 3.08Å; Q1241-R1332 VanDerWaalsContact O-CA 3.26Å; Q1241-R1332 WeakPolarHBondContact O-CA 3.31Å; I1242-R1332 HydrophobicContact CG1-CB 4.26Å; I1242-R1332 HydrophobicContact CG1-CG 3.97Å; L1269-R1332 PolarHBondContact O-N 2.86Å; R1332-Y1335 PolarHBondContact NH2-OH 2.83Å |
| 1333 | G | 59.5 | Low | 53.2 | Low | 1 Ų | 1 | 93.4 Ų | 93.4 | 1% | 0.01 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 132.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1240 Q1241 | G1240-G1333 VanDerWaalsContact CA-O 3.27Å; G1240-G1333 WeakPolarHBondContact CA-O 3.48Å; G1240-G1333 PolarHBondContact N-O 3.18Å; G1240-G1333 VanDerWaalsContact N-O 3.09Å; Q1241-G1333 PolarHBondContact O-N 2.91Å |
| 1334 | P | 52 | Low | 50.8 | Low | 22 Ų | 22 | 101.2 Ų | 101.2 | 14% | 0.143 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 139.4 | -177.3 | 31.4 | -33.6 | 0 | 0 | 0 | 112.9 | L1269 K1413 L1448 | L1269-P1334 HydrophobicContact CD1-CB 4.01Å; L1269-P1334 HydrophobicContact CD1-CG 4.47Å; L1269-P1334 HydrophobicContact CD2-CB 3.98Å; P1334-K1413 HydrophobicContact CB-CD 4.42Å; P1334-K1413 HydrophobicContact CG-CB 4.23Å; P1334-K1413 HydrophobicContact CG-CD 3.96Å; P1334-L1448 HydrophobicContact CG-CD2 4.41Å |
| 1335 | Y | 45.9 | Very low | 48.4 | Very low | 123 Ų | 123 | 107 Ų | 107 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 147.6 | 175.1 | -64.3 | -78.1 | 0 | 0 | 0 | 113.1 | E1239 R1332 K1413 | E1239-Y1335 HydrophobicContact CG-CD1 3.77Å; E1239-Y1335 HydrophobicContact CG-CE1 4.33Å; E1239-Y1335 HydrophobicContact CG-CG 4.44Å; E1239-Y1335 WeakPolarHBondContact OE1-CA 3.06Å; E1239-Y1335 WeakPolarHBondContact OE1-CD1 3.27Å; R1332-Y1335 PolarHBondContact NH2-OH 2.83Å; Y1335-K1413 PolarHBondContact O-NZ 3.33Å |
| 1336 | L | 39.4 | Very low | 46 | Very low | 48 Ų | 48 | 116 Ų | 116 | 25% | 0.251 | 51% | 0.512 | S | S | . | . | trans | -91.6 | -8.1 | -172.1 | -76.8 | -167 | 0 | 0 | 0 | 115.6 | E1239 Q1411 K1413 L1450 | E1239-L1336 PolarHBondContact OE1-N 2.91Å; E1239-L1336 WeakPolarHBondContact OE2-CB 3.46Å; E1239-L1336 WeakPolarHBondContact OE2-CG 3.39Å; L1336-Q1411 HydrophobicContact CD2-CB 4.26Å; L1336-K1413 HydrophobicContact CD2-CD 4.04Å; L1336-K1413 VanDerWaalsContact CD2-CE 3.49Å; L1336-L1450 HydrophobicContact CD1-CD1 3.53Å; L1336-L1450 HydrophobicContact CD2-CD1 3.7Å; L1336-L1450 HydrophobicContact CG-CD1 3.53Å | ||
| 1337 | T | 33.2 | Very low | 43.6 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 60% | 0.601 | 53% | 0.534 | S | S | * | . | trans | -62.8 | 150.7 | -175.2 | 47.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1338 | Y | 30.3 | Very low | 41.3 | Very low | 187 Ų | 187 | 123.8 Ų | 123.8 | 73% | 0.733 | 56% | 0.559 | S | S | * | * | trans | -67.5 | 138.8 | -156.8 | -91.7 | -103.4 | 0 | 0 | 0 | 116.6 | R1642 | Y1338-R1642 PolarHBondContact OH-NH2 2.96Å; Y1338-R1642 VanDerWaalsContact OH-NH2 3.12Å | ||
| 1339 | P | 35.2 | Very low | 39.1 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 58% | 0.583 | S | S | * | * | trans | -118.2 | 85.6 | 172.6 | 38.8 | -28.5 | 0 | 0 | 0 | 114.9 | ||||
| 1340 | Y | 25.7 | Very low | 36.5 | Very low | 227 Ų | 227 | 136.1 Ų | 136.1 | 89% | 0.89 | 62% | 0.623 | S | S | * | * | trans | -147.5 | 72.9 | 169.3 | -100.5 | -71.1 | 0 | 0 | 0 | 114 | ||||
| 1341 | S | 27.5 | Very low | 34.2 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 86% | 0.86 | 64% | 0.644 | S | S | * | * | trans | -160.8 | 51.4 | 165 | -88.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1342 | R | 25.6 | Very low | 31.9 | Very low | 248 Ų | 248 | 149.9 Ų | 149.9 | 94% | 0.936 | 68% | 0.681 | S | S | * | * | trans | -137.8 | 49.9 | 165.4 | -70.7 | -165 | -178.8 | -173.3 | 2.1 | 113.3 | ||||
| 1343 | R | 23.1 | Very low | 30.4 | Very low | 250 Ų | 250 | 155.3 Ų | 155.3 | 94% | 0.943 | 70% | 0.703 | S | S | * | * | trans | -72.7 | 129.4 | 155.2 | -94.4 | -169.3 | 176.3 | -170.7 | 2.2 | 108.1 | H1345 | R1343-H1345 PolarHBondContact O-N 2.81Š| ||
| 1344 | R | 23.7 | Very low | 28.8 | Very low | 225 Ų | 225 | 161.4 Ų | 161.4 | 85% | 0.849 | 74% | 0.743 | S | S | * | * | trans | -72 | 117.2 | -172.9 | -60.5 | 169.1 | 179 | 168.5 | -4.6 | 110.7 | R1346 | R1344-R1346 PolarHBondContact O-N 2.87Š| ||
| 1345 | H | 27.2 | Very low | 27.4 | Very low | 192 Ų | 192 | 168 Ų | 168 | 89% | 0.889 | 77% | 0.771 | S | S | * | * | trans | -78.7 | 106.3 | 147.4 | -85.4 | -95.3 | 0 | 0 | 0 | 108 | R1343 | R1343-H1345 PolarHBondContact O-N 2.81Š| ||
| 1346 | R | 23.3 | Very low | 26.3 | Very low | 207 Ų | 207 | 170.2 Ų | 170.2 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -75 | 122 | 161.6 | -77.5 | 170.8 | 158 | 175.6 | -9.6 | 106.9 | R1344 | R1344-R1346 PolarHBondContact O-N 2.87Š| ||
| 1347 | N | 25 | Very low | 25.4 | Very low | 168 Ų | 168 | 173.9 Ų | 173.9 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -113.1 | 147 | 140.7 | -86.6 | -10.1 | 0 | 0 | 0 | 107.5 | ||||
| 1348 | S | 24.6 | Very low | 24.9 | Very low | 88 Ų | 88 | 174.7 Ų | 174.7 | 62% | 0.615 | 82% | 0.819 | S | S | * | * | trans | -104.7 | 168 | -168.8 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1349 | Y | 23.1 | Very low | 24.4 | Very low | 218 Ų | 218 | 169.9 Ų | 169.9 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | 73.5 | 85.4 | 167.5 | -48.3 | -74.4 | 0 | 0 | 0 | 117.7 | ||||
| 1350 | S | 24 | Very low | 24 | Very low | 123 Ų | 123 | 172 Ų | 172 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -143.1 | 129.4 | 136.5 | 62.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1351 | H | 22.2 | Very low | 24.1 | Very low | 167 Ų | 167 | 167 Ų | 167 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -118 | 136 | -173.1 | -98.1 | -57.6 | 0 | 0 | 0 | 112 | ||||
| 1352 | R | 20.9 | Very low | 24.2 | Very low | 223 Ų | 223 | 166.1 Ų | 166.1 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | 71.4 | 127.4 | 159.6 | -60.1 | 176.5 | -179.3 | -174.7 | 0.6 | 118.8 | ||||
| 1353 | Y | 26.8 | Very low | 24.1 | Very low | 212 Ų | 212 | 159.6 Ų | 159.6 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | 12.8 | 140.6 | 140.4 | -60.6 | -83.9 | 0 | 0 | 0 | 120.6 | ||||
| 1354 | P | 26.7 | Very low | 24.1 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | -122.7 | 179.3 | 108.1 | 36.7 | -33.7 | 0 | 0 | 0 | 114.3 | |||||
| 1355 | Q | 23 | Very low | 23.9 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -118.5 | 149.3 | -177 | -58.4 | 169.7 | -46.6 | 0 | 0 | 111.5 | I1357 | Q1355-I1357 HydrophobicContact CB-CD1 4.34Š| ||
| 1356 | L | 22.7 | Very low | 23.7 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -160.6 | 124.1 | 156.1 | -91.8 | 166.9 | 0 | 0 | 0 | 105.3 | ||||
| 1357 | I | 20.2 | Very low | 23.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 65% | 0.646 | 79% | 0.785 | S | S | * | * | cis | 97.8 | 109.4 | 16.6 | -56.7 | -178.9 | 0 | 0 | 0 | 115.6 | Q1355 | Q1355-I1357 HydrophobicContact CB-CD1 4.34Š| ||
| 1358 | S | 21.5 | Very low | 23.5 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 92.2 | 147.4 | 148.1 | 73.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1359 | A | 21.6 | Very low | 23.3 | Very low | 87 Ų | 87 | 140.1 Ų | 140.1 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | 81.1 | 97 | 149.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1360 | L | 26 | Very low | 23.2 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | 26.1 | 140.1 | 111.9 | -81.9 | 160.8 | 0 | 0 | 0 | 120.2 | |||||
| 1361 | P | 28.5 | Very low | 23.2 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | -140.5 | 170 | 86.8 | 38.8 | -25.1 | 0 | 0 | 0 | 116.9 | |||||
| 1362 | P | 29.7 | Very low | 23.1 | Very low | 104 Ų | 104 | 136 Ų | 136 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | -115.1 | -163 | -175.4 | 44 | -34.7 | 0 | 0 | 0 | 114.7 | ||||
| 1363 | S | 23.2 | Very low | 23.1 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 85.9 | 151.5 | 169.1 | 80.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1364 | S | 22.2 | Very low | 23 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | -170.2 | 146.9 | -25.3 | 49.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1365 | S | 20.1 | Very low | 22.8 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 42.6 | 130.8 | 147.4 | 63.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1366 | T | 23.6 | Very low | 22.7 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 94% | 0.939 | 75% | 0.746 | S | S | * | * | -155.5 | 158.7 | 120.9 | 11.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1367 | S | 19.5 | Very low | 22.7 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -112.9 | 171.9 | -177.2 | 54 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1368 | L | 22.9 | Very low | 22.8 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | 149.8 | 157.5 | 154.3 | -82.1 | 160.6 | 0 | 0 | 0 | 108.9 | ||||
| 1369 | S | 20.7 | Very low | 22.7 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | -177.9 | 137.5 | -76 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1370 | N | 20.9 | Very low | 22.8 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | 80.8 | 141.1 | 144.9 | -106.9 | 0.2 | 0 | 0 | 0 | 123 | ||||
| 1371 | Q | 23.5 | Very low | 22.6 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | 72.3 | 147.6 | 152.9 | -63.9 | -167.5 | 24 | 0 | 0 | 120.1 | ||||
| 1372 | N | 22.1 | Very low | 22.2 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -157.5 | 162.9 | -20.2 | -114.6 | -10.8 | 0 | 0 | 0 | 113.2 | ||||
| 1373 | S | 20.1 | Very low | 21.9 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 58% | 0.58 | 76% | 0.757 | S | S | * | * | trans | -14.8 | 147.4 | 164.1 | 58.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1374 | Y | 24.3 | Very low | 21.8 | Very low | 235 Ų | 235 | 126.8 Ų | 126.8 | 92% | 0.922 | 76% | 0.763 | S | S | * | * | -155.5 | 173.4 | 118.6 | -97.2 | -62.8 | 0 | 0 | 0 | 111.5 | |||||
| 1375 | S | 21.9 | Very low | 21.9 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | trans | -123 | 164.1 | -141.9 | 58.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1376 | S | 22.4 | Very low | 22 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | trans | 73 | 119.4 | 138.6 | 59.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1377 | N | 21.3 | Very low | 22.4 | Very low | 149 Ų | 149 | 118.7 Ų | 118.7 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | 62.5 | 149.5 | 126.1 | -56.4 | 1.8 | 0 | 0 | 0 | 119.9 | |||||
| 1378 | T | 22.6 | Very low | 22.8 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | cis | -156.4 | 151 | 7.1 | -11.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1379 | S | 20.4 | Very low | 22.8 | Very low | 114 Ų | 114 | 113.3 Ų | 113.3 | 80% | 0.797 | 70% | 0.702 | S | S | * | * | trans | 26.6 | 125.3 | 148.7 | 60.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1380 | G | 22.9 | Very low | 22.9 | Very low | 76 Ų | 76 | 115.7 Ų | 115.7 | 78% | 0.784 | 71% | 0.712 | S | S | * | * | trans | -163.1 | 136 | 155 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1381 | V | 20.8 | Very low | 23 | Very low | 133 Ų | 133 | 115.1 Ų | 115.1 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | trans | -136.3 | 127.7 | -175.7 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1382 | V | 21 | Very low | 22.9 | Very low | 149 Ų | 149 | 111.5 Ų | 111.5 | 90% | 0.903 | 71% | 0.71 | S | S | * | * | trans | -145.1 | 158.1 | 168.6 | -175 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1383 | I | 23.4 | Very low | 22.9 | Very low | 144 Ų | 144 | 111 Ų | 111 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | -123.5 | 145.1 | -161.9 | -66.1 | 172.9 | 0 | 0 | 0 | 112.9 | ||||
| 1384 | C | 22.2 | Very low | 23.1 | Very low | 133 Ų | 133 | 109.7 Ų | 109.7 | 90% | 0.899 | 71% | 0.706 | S | S | * | * | trans | 19.4 | 141.9 | 161.8 | -56.5 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1385 | G | 22.4 | Very low | 23.5 | Very low | 72 Ų | 72 | 102.5 Ų | 102.5 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | trans | -178.8 | 161.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1386 | G | 22.4 | Very low | 23.5 | Very low | 43 Ų | 43 | 104.5 Ų | 104.5 | 44% | 0.443 | 70% | 0.696 | S | S | . | * | trans | -160.4 | -172.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | N1771 | G1386-N1771 PolarHBondContact O-N 3.02Å; G1386-N1771 VanDerWaalsContact O-N 3.14Å | ||
| 1387 | S | 33.3 | Very low | 23.5 | Very low | 70 Ų | 70 | 104.8 Ų | 104.8 | 49% | 0.49 | 69% | 0.694 | S | S | . | * | trans | 29.2 | 126.5 | 166.8 | 54.5 | 0 | 0 | 0 | 0 | 121.2 | I1770 | S1387-I1770 VanDerWaalsContact N-N 3.17Š| ||
| 1388 | P | 27.9 | Very low | 23.4 | Very low | 91 Ų | 91 | 102.6 Ų | 102.6 | 59% | 0.591 | 69% | 0.69 | S | S | * | * | -155.2 | 175 | 63.5 | 41 | -20.7 | 0 | 0 | 0 | 118.9 | N1768 D1769 I1770 | P1388-N1768 CarbonylContact C-O 3.55Å; P1388-N1768 WeakPolarHBondContact CA-O 3.26Å; P1388-D1769 CarbonylContact C-O 3.58Å; P1388-D1769 VanDerWaalsContact CA-O 3.29Å; P1388-D1769 WeakPolarHBondContact CA-O 3.41Å; P1388-I1770 WeakPolarHBondContact CD-O 3.11Å | |||
| 1389 | T | 21.9 | Very low | 23.4 | Very low | 70 Ų | 70 | 102.6 Ų | 102.6 | 43% | 0.429 | 69% | 0.69 | S | S | . | * | cis | -173 | 133.2 | -31.2 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | N1768 | T1389-N1768 WeakPolarHBondContact CA-O 3.46Å; T1389-N1768 PolarHBondContact N-O 3.4Å; T1389-N1768 VanDerWaalsContact N-O 3.12Å; T1389-N1768 PolarHBondContact OG1-N 2.63Å; T1389-N1768 PolarHBondContact OG1-O 2.97Å; T1389-N1768 VanDerWaalsContact OG1-O 3.07Å | ||
| 1390 | V | 23.3 | Very low | 23.4 | Very low | 142 Ų | 142 | 104.4 Ų | 104.4 | 86% | 0.861 | 69% | 0.689 | S | S | * | * | trans | -159.8 | 153.6 | 163.6 | 125.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1391 | T | 22.1 | Very low | 23.3 | Very low | 129 Ų | 129 | 107 Ų | 107 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | -99.4 | 135 | -144.6 | 14.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1392 | A | 21.6 | Very low | 23.4 | Very low | 74 Ų | 74 | 106.5 Ų | 106.5 | 61% | 0.612 | 68% | 0.683 | S | S | * | * | trans | 4.5 | 135.7 | 139 | 0 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 1393 | T | 23.3 | Very low | 23.4 | Very low | 121 Ų | 121 | 105.9 Ų | 105.9 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | trans | 69.5 | 149.2 | 137.2 | 60.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 1394 | A | 24.2 | Very low | 23.3 | Very low | 55 Ų | 55 | 106.1 Ų | 106.1 | 46% | 0.455 | 68% | 0.683 | S | S | . | * | cis | -156.8 | 173.2 | 47.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1808 Q1809 | A1394-E1808 HydrophobicContact CB-CB 4.23Å; A1394-Q1809 HydrophobicContact CB-CG 4.35Å | ||
| 1395 | P | 33.4 | Very low | 23.2 | Very low | 85 Ų | 85 | 103.2 Ų | 103.2 | 55% | 0.552 | 68% | 0.676 | S | S | * | * | trans | -105 | -160.9 | -161.5 | 38.4 | -29.6 | 0 | 0 | 0 | 116.2 | E1808 | P1395-E1808 WeakPolarHBondContact CD-OE2 3.3Å; P1395-E1808 WeakPolarHBondContact CG-OE2 3.41Å; P1395-E1808 WeakPolarHBondContact O-CG 3.46Å | ||
| 1396 | V | 20.9 | Very low | 23.2 | Very low | 136 Ų | 136 | 107.1 Ų | 107.1 | 82% | 0.824 | 68% | 0.678 | S | S | * | * | trans | -133.5 | 141.3 | 167.9 | 171.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1397 | T | 21.7 | Very low | 23.4 | Very low | 93 Ų | 93 | 110.5 Ų | 110.5 | 57% | 0.571 | 69% | 0.686 | S | S | * | * | trans | -129.7 | 139.2 | 179.9 | 38.2 | 0 | 0 | 0 | 0 | 112.6 | E1808 K1811 | T1397-E1808 PolarHBondContact N-OE1 3.35Å; T1397-E1808 PolarHBondContact OG1-OE1 3.06Å; T1397-K1811 PolarHBondContact OG1-NZ 3.08Å | ||
| 1398 | S | 20.2 | Very low | 23.4 | Very low | 103 Ų | 103 | 112.4 Ų | 112.4 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | trans | -147.6 | 143.5 | 165.5 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1399 | T | 21.6 | Very low | 23.3 | Very low | 122 Ų | 122 | 117 Ų | 117 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | -155.7 | 155.3 | 179.6 | 51.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1400 | I | 20.4 | Very low | 23.5 | Very low | 151 Ų | 151 | 118 Ų | 118 | 77% | 0.774 | 71% | 0.711 | S | S | * | * | trans | -179.9 | 151.2 | 144.6 | -98.6 | 155.8 | 0 | 0 | 0 | 111 | ||||
| 1401 | N | 22.2 | Very low | 24.1 | Very low | 131 Ų | 131 | 116.3 Ų | 116.3 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | -85.1 | 173.8 | -179 | -51.3 | -44.4 | 0 | 0 | 0 | 112.6 | ||||
| 1402 | T | 22.7 | Very low | 24.7 | Very low | 122 Ų | 122 | 115.3 Ų | 115.3 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | -173.6 | 151.3 | 107.4 | 23.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1403 | N | 20.2 | Very low | 25.6 | Very low | 136 Ų | 136 | 114.5 Ų | 114.5 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -80.1 | 172.9 | -162 | -51 | -20.4 | 0 | 0 | 0 | 117.1 | ||||
| 1404 | T | 22 | Very low | 26.4 | Very low | 149 Ų | 149 | 111.4 Ų | 111.4 | 91% | 0.914 | 64% | 0.644 | S | S | * | * | trans | 110.2 | 134.3 | 145.6 | 67.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1405 | G | 20.6 | Very low | 27.4 | Very low | 73 Ų | 73 | 110 Ų | 110 | 75% | 0.753 | 63% | 0.63 | S | S | * | * | trans | 162.6 | -8.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1406 | L | 21.7 | Very low | 27.9 | Very low | 153 Ų | 153 | 107.7 Ų | 107.7 | 80% | 0.801 | 61% | 0.612 | S | S | * | * | trans | 59.1 | 144.4 | 171.5 | -81.8 | 169.2 | 0 | 0 | 0 | 120.5 | ||||
| 1407 | L | 27 | Very low | 29.2 | Very low | 115 Ų | 115 | 101.3 Ų | 101.3 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | trans | 57.2 | 156.5 | 174.1 | -78.2 | 87.6 | 0 | 0 | 0 | 118.8 | E821 | E821-L1407 WeakPolarHBondContact OE1-CD1 3.34Å; E821-L1407 WeakPolarHBondContact OE1-CG 3.36Å | ||
| 1408 | P | 32 | Very low | 30.3 | Very low | 109 Ų | 109 | 98.6 Ų | 98.6 | 71% | 0.708 | 56% | 0.556 | S | S | * | * | cis | -131.8 | 169.3 | -22.7 | 37.5 | -21.6 | 0 | 0 | 0 | 114.8 | ||||
| 1409 | H | 25.8 | Very low | 31.8 | Very low | 188 Ų | 188 | 93.8 Ų | 93.8 | 87% | 0.87 | 52% | 0.522 | S | S | * | . | trans | 50.8 | 76.5 | 157.6 | -88.4 | -2.7 | 0 | 0 | 0 | 118.6 | Q1411 | H1409-Q1411 PolarHBondContact O-N 2.88Š| ||
| 1410 | I | 27.2 | Very low | 33.2 | Very low | 91 Ų | 91 | 89.1 Ų | 89.1 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | trans | -59.8 | 127.5 | 155.6 | -68.3 | 157.4 | 0 | 0 | 0 | 109.9 | Q1412 E1449 | I1410-Q1412 HydrophobicContact CG2-CG 4.38Å; I1410-Q1412 PolarHBondContact O-N 3.31Å; I1410-E1449 HydrophobicContact CD1-CG 4.35Å; I1410-E1449 WeakPolarHBondContact CD1-OE1 3.44Å; I1410-E1449 HydrophobicContact CG1-CG 4.1Å; I1410-E1449 HydrophobicContact CG2-CB 3.9Å; I1410-E1449 HydrophobicContact CG2-CG 3.66Å | ||
| 1411 | Q | 35.2 | Very low | 34.9 | Very low | 107 Ų | 107 | 82.1 Ų | 82.1 | 50% | 0.5 | 46% | 0.456 | S | S | . | . | trans | -92.9 | 84.5 | 173.4 | -73.7 | -164.8 | 28 | 0 | 0 | 112.1 | L1336 H1409 K1413 | L1336-Q1411 HydrophobicContact CD2-CB 4.26Å; H1409-Q1411 PolarHBondContact O-N 2.88Å; Q1411-K1413 PolarHBondContact O-N 3.12Å; Q1411-K1413 VanDerWaalsContact O-N 3.1Å | ||
| 1412 | Q | 35.2 | Very low | 36.1 | Very low | 108 Ų | 108 | 77.7 Ų | 77.7 | 51% | 0.505 | 43% | 0.431 | S | S | . | . | trans | -55.7 | 113.1 | 166.9 | -74.7 | 169.8 | -18.2 | 0 | 0 | 110.6 | I1410 L1448 | I1410-Q1412 HydrophobicContact CG2-CG 4.38Å; I1410-Q1412 PolarHBondContact O-N 3.31Å; Q1412-L1448 WeakPolarHBondContact CA-O 3.4Å | ||
| 1413 | K | 39.6 | Very low | 37.3 | Very low | 57 Ų | 57 | 73.4 Ų | 73.4 | 25% | 0.248 | 41% | 0.406 | C | S | . | . | trans | -109.4 | 123.4 | 173.5 | -76.9 | -169.5 | 177.8 | -173.5 | 0 | 111.6 | P1334 Y1335 L1336 Q1411 | P1334-K1413 HydrophobicContact CB-CD 4.42Å; P1334-K1413 HydrophobicContact CG-CB 4.23Å; P1334-K1413 HydrophobicContact CG-CD 3.96Å; Y1335-K1413 PolarHBondContact O-NZ 3.33Å; L1336-K1413 HydrophobicContact CD2-CD 4.04Å; L1336-K1413 VanDerWaalsContact CD2-CE 3.49Å; Q1411-K1413 PolarHBondContact O-N 3.12Å; Q1411-K1413 VanDerWaalsContact O-N 3.1Å | ||
| 1414 | T | 42 | Very low | 38.5 | Very low | 55 Ų | 55 | 69.6 Ų | 69.6 | 34% | 0.337 | 39% | 0.388 | S | S | . | . | trans | -86.8 | 119.5 | -176.7 | 9.5 | 0 | 0 | 0 | 0 | 113 | N1265 R1445 S1446 E1447 | N1265-T1414 PolarHBondContact ND2-O 3.12Å; T1414-R1445 HydrophobicContact CG2-CG 4.11Å; T1414-S1446 WeakPolarHBondContact CA-O 3.43Å; T1414-E1447 VanDerWaalsContact CG2-CD 3.47Å; T1414-E1447 HydrophobicContact CG2-CG 3.71Å; T1414-E1447 WeakPolarHBondContact CG2-OE1 3.43Å | ||
| 1415 | V | 44.8 | Very low | 39.3 | Very low | 25 Ų | 25 | 67 Ų | 67 | 15% | 0.152 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -93 | 140.7 | 169.1 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | L1269 I1417 R1445 S1446 | L1269-V1415 HydrophobicContact CD1-CG2 4.12Å; V1415-I1417 HydrophobicContact CG1-CG1 4.23Å; V1415-R1445 WeakPolarHBondContact O-CA 3.29Å; V1415-S1446 PolarHBondContact N-O 3.41Å; V1415-S1446 PolarHBondContact O-N 2.82Å |
| 1416 | H | 44.1 | Very low | 40.2 | Very low | 37 Ų | 37 | 70.6 Ų | 70.6 | 17% | 0.171 | 37% | 0.37 | C | S | . | . | trans | -132.8 | 98.3 | 179.9 | -67 | -28.4 | 0 | 0 | 0 | 111.9 | S1264 N1265 R1443 | S1264-H1416 VanDerWaalsContact CA-O 3.26Å; S1264-H1416 WeakPolarHBondContact CA-O 3.23Å; S1264-H1416 PolarHBondContact OG-O 3.29Å; N1265-H1416 HydrophobicContact CB-CB 4.46Å; N1265-H1416 PolarHBondContact N-O 2.92Å; N1265-H1416 PolarHBondContact OD1-N 2.88Å; N1265-H1416 PolarHBondContact OD1-O 3.08Å; H1416-R1443 PolarHBondContact CD2-NH2 3.43Å; H1416-R1443 PolarHBondContact CE1-NH2 3.03Å; H1416-R1443 VanDerWaalsContact CE1-NH2 3.34Å; H1416-R1443 VanDerWaalsContact CG-NH2 3.34Å; H1416-R1443 PolarHBondContact NE2-NH2 3.27Å | ||
| 1417 | I | 46.4 | Very low | 40.5 | Very low | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.4 | 175.9 | -53.4 | 177 | 0 | 0 | 0 | 109.1 | I1262 A1263 V1415 F1419 R1443 H1444 | I1262-I1417 HydrophobicContact CG2-CG2 3.57Å; A1263-I1417 CarbonylContact O-C 3.53Å; A1263-I1417 WeakPolarHBondContact O-CA 3.5Å; V1415-I1417 HydrophobicContact CG1-CG1 4.23Å; I1417-F1419 HydrophobicContact CB-CE2 4.27Å; I1417-F1419 HydrophobicContact CB-CZ 4.46Å; I1417-F1419 HydrophobicContact CG2-CD2 4.43Å; I1417-F1419 HydrophobicContact CG2-CE1 4.29Å; I1417-F1419 HydrophobicContact CG2-CE2 3.72Å; I1417-F1419 HydrophobicContact CG2-CZ 3.61Å; I1417-R1443 CarbonylContact O-C 3.51Å; I1417-R1443 WeakPolarHBondContact O-CA 3.44Å; I1417-H1444 PolarHBondContact N-O 2.72Å; I1417-H1444 PolarHBondContact O-N 3.31Å |
| 1418 | V | 45.9 | Very low | 40.9 | Very low | 37 Ų | 37 | 76.9 Ų | 76.9 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 110.2 | -175.9 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | A1263 Y1441 V1442 R1443 | A1263-V1418 WeakPolarHBondContact CA-O 3.39Å; A1263-V1418 HydrophobicContact CB-CB 4.36Å; A1263-V1418 VanDerWaalsContact CB-O 3.31Å; A1263-V1418 WeakPolarHBondContact CB-O 3.35Å; A1263-V1418 PolarHBondContact N-O 3.47Å; A1263-V1418 PolarHBondContact O-N 3.14Å; V1418-Y1441 HydrophobicContact CG1-CD1 3.91Å; V1418-Y1441 HydrophobicContact CG1-CG 4.46Å; V1418-V1442 CarbonylContact C-O 2.97Å; V1418-V1442 VanDerWaalsContact CA-O 3.23Å; V1418-V1442 WeakPolarHBondContact CA-O 3.33Å; V1418-V1442 WeakPolarHBondContact CG1-O 3.45Å; V1418-R1443 HydrophobicContact CG2-CB 4.31Å; V1418-R1443 HydrophobicContact CG2-CG 4.05Å |
| 1419 | F | 50.8 | Low | 40.9 | Very low | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.009 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.3 | -179.1 | -54.6 | -98.6 | 0 | 0 | 0 | 109.4 | L1226 V1228 F1230 I1247 L1249 R1261 I1262 I1417 Y1441 V1442 H1444 | L1226-F1419 HydrophobicContact CD2-CB 4.35Å; V1228-F1419 HydrophobicContact CG1-CE1 3.98Å; V1228-F1419 HydrophobicContact CG1-CE2 4.41Å; V1228-F1419 HydrophobicContact CG1-CZ 3.93Å; V1228-F1419 HydrophobicContact CG2-CD1 4.15Å; V1228-F1419 HydrophobicContact CG2-CD2 4.39Å; V1228-F1419 HydrophobicContact CG2-CE1 4.43Å; V1228-F1419 HydrophobicContact CG2-CG 4.17Å; F1230-F1419 HydrophobicContact CZ-CZ 4.04Å; I1247-F1419 HydrophobicContact CD1-CE1 3.5Å; I1247-F1419 VanDerWaalsContact CD1-CE1 3.5Å; I1247-F1419 HydrophobicContact CD1-CZ 3.95Å; L1249-F1419 HydrophobicContact CD2-CD1 4.24Å; L1249-F1419 HydrophobicContact CD2-CE1 4.39Å; R1261-F1419 CarbonylContact O-C 3.51Å; R1261-F1419 WeakPolarHBondContact O-CA 3.29Å; I1262-F1419 HydrophobicContact CB-CD1 4.48Å; I1262-F1419 HydrophobicContact CD1-CD1 3.72Å; I1262-F1419 HydrophobicContact CD1-CE1 3.59Å; I1262-F1419 HydrophobicContact CG1-CD1 3.59Å; I1262-F1419 HydrophobicContact CG1-CE1 3.87Å; I1262-F1419 HydrophobicContact CG2-CD1 4.32Å; I1262-F1419 HydrophobicContact CG2-CE1 4.03Å; I1417-F1419 HydrophobicContact CB-CE2 4.27Å; I1417-F1419 HydrophobicContact CB-CZ 4.46Å; I1417-F1419 HydrophobicContact CG2-CD2 4.43Å; I1417-F1419 HydrophobicContact CG2-CE1 4.29Å; I1417-F1419 HydrophobicContact CG2-CE2 3.72Å; I1417-F1419 HydrophobicContact CG2-CZ 3.61Å; F1419-Y1441 CarbonylContact O-C 3.03Å; F1419-Y1441 WeakPolarHBondContact O-CA 3.46Å; F1419-V1442 HydrophobicContact CB-CB 4.15Å; F1419-V1442 HydrophobicContact CB-CG1 4.31Å; F1419-V1442 HydrophobicContact CD2-CG1 3.92Å; F1419-V1442 HydrophobicContact CG-CG1 4.4Å; F1419-V1442 PolarHBondContact N-O 3.39Å; F1419-V1442 PolarHBondContact O-N 2.95Å; F1419-H1444 HydrophobicContact CE2-CB 4.25Å |
| 1420 | Q | 50.9 | Low | 41.2 | Very low | 23 Ų | 23 | 79 Ų | 79 | 11% | 0.107 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 143.8 | 177.6 | 178.1 | 178.5 | -17.3 | 0 | 0 | 110.7 | R1261 C1439 R1440 Y1441 | R1261-Q1420 HydrophobicContact CB-CB 4.09Å; R1261-Q1420 PolarHBondContact N-O 2.77Å; R1261-Q1420 PolarHBondContact O-N 3.04Å; Q1420-C1439 HydrophobicContact CG-CB 4.31Å; Q1420-C1439 PolarHBondContact NE2-SG 3.05Å; Q1420-R1440 CarbonylContact C-O 3.56Å; Q1420-R1440 VanDerWaalsContact CA-O 3.25Å; Q1420-R1440 WeakPolarHBondContact CA-O 3.31Å; Q1420-Y1441 HydrophobicContact CB-CD1 3.89Å; Q1420-Y1441 HydrophobicContact CB-CE1 3.91Å; Q1420-Y1441 HydrophobicContact CG-CD1 4.12Å; Q1420-Y1441 HydrophobicContact CG-CE1 3.76Å; Q1420-Y1441 VanDerWaalsContact OE1-CE1 3.29Å |
| 1421 | Y | 56.3 | Low | 41.4 | Very low | 4 Ų | 4 | 83.9 Ų | 83.9 | 2% | 0.016 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 158.8 | 174.3 | 56.8 | -90.4 | 0 | 0 | 0 | 112 | P1224 L1226 L1257 R1440 V1442 | P1224-Y1421 HydrophobicContact CB-CD2 4.25Å; P1224-Y1421 HydrophobicContact CB-CE2 3.83Å; P1224-Y1421 HydrophobicContact CG-CE2 4.18Å; P1224-Y1421 PolarHBondContact O-OH 3.22Å; L1226-Y1421 HydrophobicContact CB-CD1 3.62Å; L1226-Y1421 HydrophobicContact CB-CE1 3.42Å; L1226-Y1421 VanDerWaalsContact CB-CE1 3.42Å; L1226-Y1421 HydrophobicContact CB-CG 4.29Å; L1226-Y1421 HydrophobicContact CD2-CD1 3.82Å; L1226-Y1421 HydrophobicContact CD2-CE1 4.31Å; L1226-Y1421 HydrophobicContact CG-CD1 4.37Å; L1257-Y1421 HydrophobicContact CD1-CD2 4.16Å; L1257-Y1421 HydrophobicContact CD1-CG 4.37Å; L1257-Y1421 HydrophobicContact CD2-CD2 3.84Å; L1257-Y1421 HydrophobicContact CD2-CE2 4.15Å; L1257-Y1421 HydrophobicContact CG-CD2 4.47Å; Y1421-R1440 HydrophobicContact CD1-CB 4.47Å; Y1421-R1440 HydrophobicContact CD2-CB 3.86Å; Y1421-R1440 HydrophobicContact CE1-CB 4.09Å; Y1421-R1440 HydrophobicContact CE2-CB 3.41Å; Y1421-R1440 VanDerWaalsContact CE2-CB 3.41Å; Y1421-R1440 HydrophobicContact CE2-CG 4.08Å; Y1421-R1440 HydrophobicContact CG-CB 4.37Å; Y1421-R1440 PolarHBondContact N-O 3.49Å; Y1421-R1440 PolarHBondContact O-N 3.13Å; Y1421-V1442 HydrophobicContact CE1-CG2 4.11Å |
| 1422 | E | 46.9 | Very low | 41 | Very low | 38 Ų | 38 | 90.3 Ų | 90.3 | 18% | 0.178 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | -179.1 | 171.8 | -65.7 | -170.5 | 119 | 0 | 0 | 110.7 | L1257 T1258 N1259 C1439 | L1257-E1422 WeakPolarHBondContact CA-O 3.37Å; T1258-E1422 PolarHBondContact N-O 3.33Å; T1258-E1422 VanDerWaalsContact N-O 3.09Å; T1258-E1422 PolarHBondContact O-N 2.94Å; N1259-E1422 PolarHBondContact ND2-OE2 3.35Å; E1422-C1439 PolarHBondContact OE1-SG 2.9Å |
| 1423 | S | 49.3 | Very low | 40.7 | Very low | 33 Ų | 33 | 94 Ų | 94 | 23% | 0.231 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 132.2 | -164.9 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | P1224 I1255 N1425 | P1224-S1423 VanDerWaalsContact CG-CB 3.48Å; I1255-S1423 VanDerWaalsContact CG2-OG 3.25Å; I1255-S1423 WeakPolarHBondContact CG2-OG 3.29Å; S1423-N1425 PolarHBondContact O-N 3.23Å |
| 1424 | T | 44.4 | Very low | 40.3 | Very low | 56 Ų | 56 | 100.6 Ų | 100.6 | 34% | 0.344 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -15.6 | -161 | 52.2 | 0 | 0 | 0 | 0 | 116.4 | P1256 T1258 N1426 | P1256-T1424 HydrophobicContact CB-CG2 3.95Å; P1256-T1424 WeakPolarHBondContact CD-OG1 3.47Å; P1256-T1424 PolarHBondContact O-N 2.97Å; P1256-T1424 PolarHBondContact O-OG1 3.31Å; T1258-T1424 HydrophobicContact CG2-CG2 3.69Å; T1424-N1426 PolarHBondContact O-N 3.48Å |
| 1425 | N | 40.3 | Very low | 39.8 | Very low | 95 Ų | 95 | 103.3 Ų | 103.3 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 12.3 | -164.9 | -74.1 | 13.1 | 0 | 0 | 0 | 116.9 | I1255 S1423 L1427 | I1255-N1425 HydrophobicContact CG2-CB 4.2Å; I1255-N1425 VanDerWaalsContact CG2-CG 3.49Å; I1255-N1425 WeakPolarHBondContact CG2-OD1 3.46Å; S1423-N1425 PolarHBondContact O-N 3.23Å; N1425-L1427 PolarHBondContact O-N 3.2Å |
| 1426 | N | 38.3 | Very low | 39.1 | Very low | 148 Ų | 148 | 110.2 Ų | 110.2 | 79% | 0.791 | 53% | 0.526 | S | S | * | . | trans | -82.9 | 67.8 | 171.4 | -77.8 | -7.2 | 0 | 0 | 0 | 111.4 | T1424 R1428 | T1424-N1426 PolarHBondContact O-N 3.48Å; N1426-R1428 PolarHBondContact O-N 3.48Å | ||
| 1427 | L | 29.2 | Very low | 38.7 | Very low | 160 Ų | 160 | 115.4 Ų | 115.4 | 84% | 0.838 | 56% | 0.56 | S | S | * | * | trans | -71.2 | 83.6 | 173.7 | -87.9 | 150.5 | 0 | 0 | 0 | 111.8 | N1425 | N1425-L1427 PolarHBondContact O-N 3.2Š| ||
| 1428 | R | 33.5 | Very low | 38.2 | Very low | 240 Ų | 240 | 117.2 Ų | 117.2 | 91% | 0.906 | 58% | 0.579 | S | S | * | * | trans | -167.5 | 128.4 | 143.2 | -106.8 | 161.4 | -169.5 | -169.9 | 2 | 110.8 | N1426 | N1426-R1428 PolarHBondContact O-N 3.48Š| ||
| 1429 | N | 33.3 | Very low | 37.9 | Very low | 158 Ų | 158 | 117 Ų | 117 | 85% | 0.845 | 58% | 0.579 | S | S | * | * | trans | -68.2 | 171.3 | 163.9 | -73.2 | -41.7 | 0 | 0 | 0 | 110 | ||||
| 1430 | E | 31.5 | Very low | 37.3 | Very low | 182 Ų | 182 | 120 Ų | 120 | 85% | 0.85 | 59% | 0.59 | S | S | * | * | trans | 73.3 | 58.7 | 176.9 | -55.9 | -179.3 | -160.1 | 0 | 0 | 117.4 | ||||
| 1431 | Q | 30.6 | Very low | 37.1 | Very low | 195 Ų | 195 | 123.2 Ų | 123.2 | 91% | 0.911 | 60% | 0.602 | S | S | * | * | trans | -163.3 | 62.8 | 137.9 | -111.9 | 164.4 | 72.6 | 0 | 0 | 114.1 | Q1433 | Q1431-Q1433 VanDerWaalsContact C-N 3.26Å; Q1431-Q1433 PolarHBondContact O-N 3.17Å | ||
| 1432 | R | 27.8 | Very low | 36.4 | Very low | 242 Ų | 242 | 123.6 Ų | 123.6 | 91% | 0.913 | 61% | 0.605 | S | S | * | * | trans | -74.7 | 66.3 | 173 | -75 | -171.8 | 174.4 | -173.2 | -0.2 | 112.6 | ||||
| 1433 | Q | 28.9 | Very low | 36.2 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 87% | 0.869 | 62% | 0.623 | S | S | * | * | trans | -158.6 | 43.4 | 172.3 | -125.3 | 164.2 | 89.1 | 0 | 0 | 117.4 | Q1431 | Q1431-Q1433 VanDerWaalsContact C-N 3.26Å; Q1431-Q1433 PolarHBondContact O-N 3.17Å | ||
| 1434 | K | 31.6 | Very low | 35.8 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 84% | 0.843 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -161.3 | 157.5 | 156.7 | -106.3 | 151.1 | -172.7 | 177.7 | 0 | 110.5 | F1436 | K1434-F1436 PolarHBondContact O-N 2.88Š|
| 1435 | P | 30.3 | Very low | 35.7 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | trans | -76.8 | 126.2 | -165.7 | 28.7 | -34.1 | 0 | 0 | 0 | 114.1 | ||||
| 1436 | F | 30.7 | Very low | 35.7 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 75% | 0.75 | 61% | 0.606 | S | S | * | * | trans | -37.8 | 126.2 | 177.6 | -57 | -95.6 | 0 | 0 | 0 | 116 | K1434 | K1434-F1436 PolarHBondContact O-N 2.88Š| ||
| 1437 | T | 34.8 | Very low | 35.6 | Very low | 146 Ų | 146 | 124 Ų | 124 | 90% | 0.896 | 58% | 0.581 | S | S | * | * | trans | -108.3 | 7.8 | 177.8 | 49.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1438 | G | 37.4 | Very low | 36.1 | Very low | 40 Ų | 40 | 117.1 Ų | 117.1 | 41% | 0.412 | 55% | 0.546 | S | S | . | . | trans | -85 | -16.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117 | R1440 | G1438-R1440 PolarHBondContact O-N 2.87Š| ||
| 1439 | C | 39.3 | Very low | 36.3 | Very low | 31 Ų | 31 | 107.6 Ų | 107.6 | 21% | 0.209 | 51% | 0.511 | C | S | . | . | trans | -63.5 | 128.3 | -169.3 | -56.8 | 0 | 0 | 0 | 0 | 114.1 | Q1420 E1422 Y1441 | Q1420-C1439 HydrophobicContact CG-CB 4.31Å; Q1420-C1439 PolarHBondContact NE2-SG 3.05Å; E1422-C1439 PolarHBondContact OE1-SG 2.9Å; C1439-Y1441 HydrophobicContact CB-CE2 3.74Å; C1439-Y1441 WeakPolarHBondContact O-CE2 3.37Å | ||
| 1440 | R | 38.6 | Very low | 36.3 | Very low | 67 Ų | 67 | 102 Ų | 102 | 25% | 0.253 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 154.2 | 170.6 | -72 | -144.5 | 172.9 | -175.1 | -17.6 | 112 | R806 V1223 P1224 Q1420 Y1421 G1438 | R806-R1440 VanDerWaalsContact CZ-NH1 3.31Å; V1223-R1440 VanDerWaalsContact CB-NH2 3.29Å; P1224-R1440 HydrophobicContact CG-CG 4.25Å; P1224-R1440 PolarHBondContact O-NH1 3.02Å; Q1420-R1440 CarbonylContact C-O 3.56Å; Q1420-R1440 VanDerWaalsContact CA-O 3.25Å; Q1420-R1440 WeakPolarHBondContact CA-O 3.31Å; Y1421-R1440 HydrophobicContact CD1-CB 4.47Å; Y1421-R1440 HydrophobicContact CD2-CB 3.86Å; Y1421-R1440 HydrophobicContact CE1-CB 4.09Å; Y1421-R1440 HydrophobicContact CE2-CB 3.41Å; Y1421-R1440 VanDerWaalsContact CE2-CB 3.41Å; Y1421-R1440 HydrophobicContact CE2-CG 4.08Å; Y1421-R1440 HydrophobicContact CG-CB 4.37Å; Y1421-R1440 PolarHBondContact N-O 3.49Å; Y1421-R1440 PolarHBondContact O-N 3.13Å; G1438-R1440 PolarHBondContact O-N 2.87Å |
| 1441 | Y | 45.5 | Very low | 36.3 | Very low | 89 Ų | 89 | 100.8 Ų | 100.8 | 35% | 0.349 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 136.8 | -174.1 | -56.2 | -102 | 0 | 0 | 0 | 111.9 | V1418 F1419 Q1420 C1439 | V1418-Y1441 HydrophobicContact CG1-CD1 3.91Å; V1418-Y1441 HydrophobicContact CG1-CG 4.46Å; F1419-Y1441 CarbonylContact O-C 3.03Å; F1419-Y1441 WeakPolarHBondContact O-CA 3.46Å; Q1420-Y1441 HydrophobicContact CB-CD1 3.89Å; Q1420-Y1441 HydrophobicContact CB-CE1 3.91Å; Q1420-Y1441 HydrophobicContact CG-CD1 4.12Å; Q1420-Y1441 HydrophobicContact CG-CE1 3.76Å; Q1420-Y1441 VanDerWaalsContact OE1-CE1 3.29Å; C1439-Y1441 HydrophobicContact CB-CE2 3.74Å; C1439-Y1441 WeakPolarHBondContact O-CE2 3.37Å |
| 1442 | V | 42.7 | Very low | 36.5 | Very low | 13 Ų | 13 | 95.3 Ų | 95.3 | 8% | 0.079 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 151.1 | 173.2 | 153.3 | 0 | 0 | 0 | 0 | 108.2 | V1228 V1418 F1419 Y1421 | V1228-V1442 HydrophobicContact CG2-CG1 4.26Å; V1418-V1442 CarbonylContact C-O 2.97Å; V1418-V1442 VanDerWaalsContact CA-O 3.23Å; V1418-V1442 WeakPolarHBondContact CA-O 3.33Å; V1418-V1442 WeakPolarHBondContact CG1-O 3.45Å; F1419-V1442 HydrophobicContact CB-CB 4.15Å; F1419-V1442 HydrophobicContact CB-CG1 4.31Å; F1419-V1442 HydrophobicContact CD2-CG1 3.92Å; F1419-V1442 HydrophobicContact CG-CG1 4.4Å; F1419-V1442 PolarHBondContact N-O 3.39Å; F1419-V1442 PolarHBondContact O-N 2.95Å; Y1421-V1442 HydrophobicContact CE1-CG2 4.11Å |
| 1443 | R | 42.8 | Very low | 37.3 | Very low | 146 Ų | 146 | 87.9 Ų | 87.9 | 55% | 0.551 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141.6 | -174.8 | 178.4 | 173.7 | 174.8 | -168.4 | -1.7 | 113.2 | H1416 I1417 V1418 | H1416-R1443 PolarHBondContact CD2-NH2 3.43Å; H1416-R1443 PolarHBondContact CE1-NH2 3.03Å; H1416-R1443 VanDerWaalsContact CE1-NH2 3.34Å; H1416-R1443 VanDerWaalsContact CG-NH2 3.34Å; H1416-R1443 PolarHBondContact NE2-NH2 3.27Å; I1417-R1443 CarbonylContact O-C 3.51Å; I1417-R1443 WeakPolarHBondContact O-CA 3.44Å; V1418-R1443 HydrophobicContact CG2-CB 4.31Å; V1418-R1443 HydrophobicContact CG2-CG 4.05Å |
| 1444 | H | 39.6 | Very low | 38.3 | Very low | 13 Ų | 13 | 80.4 Ų | 80.4 | 6% | 0.06 | 41% | 0.408 | C | S | . | . | trans | -115.4 | 158.6 | 169.9 | -176.4 | 46.1 | 0 | 0 | 0 | 110.5 | V808 F1230 F1233 I1417 F1419 | V808-H1444 HydrophobicContact CG2-CB 4Å; F1230-H1444 AromaticContact CE2-CD2 3.82Å; F1233-H1444 AromaticContact CD2-NE2 3.79Å; F1233-H1444 AromaticContact CE2-CD2 3.96Å; F1233-H1444 AromaticContact CE2-NE2 3.68Å; F1233-H1444 AromaticContact CZ-NE2 3.88Å; I1417-H1444 PolarHBondContact N-O 2.72Å; I1417-H1444 PolarHBondContact O-N 3.31Å; F1419-H1444 HydrophobicContact CE2-CB 4.25Å | ||
| 1445 | R | 41.9 | Very low | 39.5 | Very low | 137 Ų | 137 | 73.5 Ų | 73.5 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | trans | -145.1 | 137 | 177.8 | 171.9 | 179.8 | -178.1 | 174.6 | -1.1 | 107.7 | T1414 V1415 E1447 | T1414-R1445 HydrophobicContact CG2-CG 4.11Å; V1415-R1445 WeakPolarHBondContact O-CA 3.29Å; R1445-E1447 IonicContact CZ-OE1 2.91Å; R1445-E1447 IonicContact NE-OE1 2.67Å; R1445-E1447 PolarHBondContact NE-OE1 3.25Å; R1445-E1447 IonicContact NH2-OE1 3.12Å; R1445-E1447 PolarHBondContact NH2-OE1 2.92Å; R1445-E1447 IonicContact NH2-OE2 3.41Å | ||
| 1446 | S | 40.8 | Very low | 40.9 | Very low | 23 Ų | 23 | 68.6 Ų | 68.6 | 16% | 0.161 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -146 | 162.2 | 165.6 | 111 | 0 | 0 | 0 | 0 | 109.5 | F1233 T1414 V1415 | F1233-S1446 WeakPolarHBondContact CE1-OG 3.37Å; T1414-S1446 WeakPolarHBondContact CA-O 3.43Å; V1415-S1446 PolarHBondContact N-O 3.41Å; V1415-S1446 PolarHBondContact O-N 2.82Å |
| 1447 | E | 36.7 | Very low | 42.2 | Very low | 58 Ų | 58 | 63.9 Ų | 63.9 | 27% | 0.271 | 33% | 0.328 | S | S | . | . | trans | -128.2 | 171.9 | -174.5 | -43 | -155.2 | -179.1 | 0 | 0 | 109.5 | S1235 T1414 R1445 | S1235-E1447 VanDerWaalsContact O-O 3.08Å; T1414-E1447 VanDerWaalsContact CG2-CD 3.47Å; T1414-E1447 HydrophobicContact CG2-CG 3.71Å; T1414-E1447 WeakPolarHBondContact CG2-OE1 3.43Å; R1445-E1447 IonicContact CZ-OE1 2.91Å; R1445-E1447 IonicContact NE-OE1 2.67Å; R1445-E1447 PolarHBondContact NE-OE1 3.25Å; R1445-E1447 IonicContact NH2-OE1 3.12Å; R1445-E1447 PolarHBondContact NH2-OE1 2.92Å; R1445-E1447 IonicContact NH2-OE2 3.41Å | ||
| 1448 | L | 40.7 | Very low | 43.3 | Very low | 16 Ų | 16 | 57.8 Ų | 57.8 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | trans | -161.2 | 146.2 | -159.1 | -150.4 | 91 | 0 | 0 | 0 | 114.6 | L1237 P1334 Q1412 | L1237-L1448 HydrophobicContact CB-CD1 3.95Å; L1237-L1448 HydrophobicContact CB-CD2 4.15Å; L1237-L1448 HydrophobicContact CB-CG 4.41Å; L1237-L1448 HydrophobicContact CD1-CD1 4.38Å; L1237-L1448 HydrophobicContact CG-CD1 4.11Å; L1237-L1448 WeakPolarHBondContact O-CD2 3.47Å; P1334-L1448 HydrophobicContact CG-CD2 4.41Å; Q1412-L1448 WeakPolarHBondContact CA-O 3.4Å | ||
| 1449 | E | 36.9 | Very low | 44.6 | Very low | 40 Ų | 40 | 59.2 Ų | 59.2 | 19% | 0.187 | 29% | 0.292 | C | S | . | . | trans | -133.9 | 156.4 | -173.4 | 171.9 | 174.9 | 163.2 | 0 | 0 | 114.5 | Q1236 I1410 K1451 | Q1236-E1449 HydrophobicContact CG-CB 4.38Å; Q1236-E1449 PolarHBondContact NE2-OE2 2.93Å; I1410-E1449 HydrophobicContact CD1-CG 4.35Å; I1410-E1449 WeakPolarHBondContact CD1-OE1 3.44Å; I1410-E1449 HydrophobicContact CG1-CG 4.1Å; I1410-E1449 HydrophobicContact CG2-CB 3.9Å; I1410-E1449 HydrophobicContact CG2-CG 3.66Å; E1449-K1451 WeakPolarHBondContact OE1-CE 3.29Å; E1449-K1451 IonicContact OE1-NZ 3.3Å; E1449-K1451 PolarHBondContact OE1-NZ 3.44Å | ||
| 1450 | L | 34 | Very low | 45.6 | Very low | 41 Ų | 41 | 58.1 Ų | 58.1 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | trans | -148.5 | 146.8 | -166.7 | -65.2 | 173.1 | 0 | 0 | 0 | 115 | L1237 Y1238 E1239 L1336 | L1237-L1450 WeakPolarHBondContact O-CD2 3.49Å; Y1238-L1450 VanDerWaalsContact C-CD2 3.46Å; Y1238-L1450 VanDerWaalsContact CA-CD2 3.43Å; E1239-L1450 HydrophobicContact CB-CD1 4.27Å; E1239-L1450 HydrophobicContact CB-CD2 4.18Å; L1336-L1450 HydrophobicContact CD1-CD1 3.53Å; L1336-L1450 HydrophobicContact CD2-CD1 3.7Å; L1336-L1450 HydrophobicContact CG-CD1 3.53Å | ||
| 1451 | K | 30.4 | Very low | 46.7 | Very low | 156 Ų | 156 | 59 Ų | 59 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | trans | -146.6 | 177.6 | -172.3 | -66.3 | 179.8 | 179 | 147.7 | 0 | 115.3 | E1449 | E1449-K1451 WeakPolarHBondContact OE1-CE 3.29Å; E1449-K1451 IonicContact OE1-NZ 3.3Å; E1449-K1451 PolarHBondContact OE1-NZ 3.44Å | ||
| 1452 | S | 35.4 | Very low | 47.3 | Very low | 80 Ų | 80 | 58.1 Ų | 58.1 | 56% | 0.559 | 30% | 0.301 | S | S | * | . | trans | -143.9 | 177.5 | -162.7 | 61.7 | 0 | 0 | 0 | 0 | 118.3 | C1641 | S1452-C1641 WeakPolarHBondContact CB-SG 3.28Å; S1452-C1641 PolarHBondContact OG-SG 2.58Å | ||
| 1453 | S | 43.7 | Very low | 47.6 | Very low | 87 Ų | 87 | 59.9 Ų | 59.9 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | trans | -134.9 | -16.6 | -157.5 | -42.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1454 | L | 51 | Low | 47.6 | Very low | 29 Ų | 29 | 59 Ų | 59 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | trans | -141.8 | 153.1 | -177.3 | -110.9 | -179.8 | 0 | 0 | 0 | 111.3 | F1456 F1489 W1672 | L1454-F1456 HydrophobicContact CB-CE2 4Å; L1454-F1456 HydrophobicContact CD1-CE2 4.16Å; L1454-F1456 HydrophobicContact CD1-CZ 4.18Å; L1454-F1489 HydrophobicContact CD1-CD1 3.77Å; L1454-F1489 HydrophobicContact CD1-CD2 4.46Å; L1454-F1489 HydrophobicContact CD1-CE1 3.56Å; L1454-F1489 HydrophobicContact CD1-CE2 4.29Å; L1454-F1489 HydrophobicContact CD1-CG 4.22Å; L1454-F1489 HydrophobicContact CD1-CZ 3.84Å; L1454-F1489 HydrophobicContact CD2-CD2 4.21Å; L1454-F1489 HydrophobicContact CD2-CE2 4.07Å; L1454-F1489 HydrophobicContact CD2-CZ 4.35Å; L1454-F1489 HydrophobicContact CG-CE1 4.17Å; L1454-F1489 HydrophobicContact CG-CE2 4.13Å; L1454-F1489 HydrophobicContact CG-CZ 3.9Å; L1454-W1672 HydrophobicContact CD1-CD2 3.8Å; L1454-W1672 HydrophobicContact CD1-CE3 4.12Å; L1454-W1672 HydrophobicContact CD1-CG 4.3Å; L1454-W1672 HydrophobicContact CD1-CH2 4.21Å; L1454-W1672 HydrophobicContact CD1-CZ2 3.88Å; L1454-W1672 HydrophobicContact CD1-CZ3 4.33Å | ||
| 1455 | N | 57.2 | Low | 47.5 | Very low | 48 Ų | 48 | 66.1 Ų | 66.1 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.6 | -178.7 | -165.4 | 14.6 | 0 | 0 | 0 | 113.6 | K1478 V1480 S1643 | N1455-K1478 PolarHBondContact N-O 3.29Å; N1455-K1478 PolarHBondContact O-N 3Å; N1455-V1480 HydrophobicContact CB-CG1 3.96Å; N1455-V1480 HydrophobicContact CB-CG2 4.08Å; N1455-S1643 WeakPolarHBondContact OD1-CB 3.27Å |
| 1456 | F | 58.4 | Low | 47.2 | Very low | 10 Ų | 10 | 62.9 Ų | 62.9 | 4% | 0.044 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.2 | -179 | -63 | -98.2 | 0 | 0 | 0 | 110 | L1454 I1477 S1643 I1670 W1672 S1691 L1693 | L1454-F1456 HydrophobicContact CB-CE2 4Å; L1454-F1456 HydrophobicContact CD1-CE2 4.16Å; L1454-F1456 HydrophobicContact CD1-CZ 4.18Å; F1456-I1477 HydrophobicContact CD1-CB 4.31Å; F1456-I1477 HydrophobicContact CD1-CD1 4.12Å; F1456-I1477 HydrophobicContact CD1-CG1 3.87Å; F1456-I1477 HydrophobicContact CD1-CG2 3.69Å; F1456-I1477 HydrophobicContact CE1-CB 4.48Å; F1456-I1477 HydrophobicContact CE1-CD1 4.04Å; F1456-I1477 HydrophobicContact CE1-CG1 4.19Å; F1456-I1477 HydrophobicContact CE1-CG2 3.52Å; F1456-I1477 HydrophobicContact CG-CG2 4.45Å; F1456-I1477 HydrophobicContact CZ-CG2 4.17Å; F1456-S1643 PolarHBondContact O-OG 3.02Å; F1456-I1670 HydrophobicContact CD1-CD1 3.81Å; F1456-I1670 HydrophobicContact CE1-CB 4.45Å; F1456-I1670 HydrophobicContact CE1-CD1 4.25Å; F1456-I1670 HydrophobicContact CE1-CG2 3.94Å; F1456-W1672 AromaticContact CZ-CD1 3.52Å; F1456-W1672 HydrophobicContact CZ-CG 4.31Å; F1456-W1672 AromaticContact CZ-NE1 3.79Å; F1456-S1691 VanDerWaalsContact CE2-CB 3.44Å; F1456-S1691 VanDerWaalsContact CE2-OG 3.25Å; F1456-S1691 WeakPolarHBondContact CE2-OG 3.28Å; F1456-L1693 HydrophobicContact CB-CD1 3.75Å |
| 1457 | E | 58.7 | Low | 46.9 | Very low | 72 Ų | 72 | 67.1 Ų | 67.1 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 151.5 | -179.4 | -175.8 | 166.5 | -173.6 | 0 | 0 | 109.4 | Q1476 I1645 | E1457-Q1476 PolarHBondContact N-O 3.33Å; E1457-Q1476 PolarHBondContact O-N 3.13Å; E1457-I1645 HydrophobicContact CG-CD1 4.28Å; E1457-I1645 HydrophobicContact CG-CG1 4.32Å; E1457-I1645 HydrophobicContact CG-CG2 4.28Å |
| 1458 | A | 58.3 | Low | 47.3 | Very low | 17 Ų | 17 | 70.7 Ų | 70.7 | 14% | 0.14 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 150.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1474 V1475 L1693 I1695 | A1458-S1474 CarbonylContact C-O 3.58Å; A1458-S1474 VanDerWaalsContact CA-O 3.27Å; A1458-S1474 WeakPolarHBondContact CA-O 3.33Å; A1458-V1475 HydrophobicContact CB-CB 4.34Å; A1458-V1475 HydrophobicContact CB-CG1 4.42Å; A1458-V1475 HydrophobicContact CB-CG2 4.03Å; A1458-L1693 HydrophobicContact CB-CD1 4.1Å; A1458-L1693 HydrophobicContact CB-CD2 3.54Å; A1458-L1693 HydrophobicContact CB-CG 4.48Å; A1458-I1695 HydrophobicContact CB-CD1 4.04Å; A1458-I1695 HydrophobicContact CB-CG1 4.28Å |
| 1459 | V | 63.1 | Low | 47.9 | Very low | 71 Ų | 71 | 74.5 Ų | 74.5 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.1 | 179.7 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | I1473 S1474 | V1459-I1473 CarbonylContact O-C 3.31Å; V1459-I1473 WeakPolarHBondContact O-CA 3.33Å; V1459-S1474 PolarHBondContact N-O 2.84Å; V1459-S1474 PolarHBondContact O-N 2.78Å; V1459-S1474 PolarHBondContact O-OG 3.29Å |
| 1460 | A | 60.4 | Low | 49 | Very low | 8 Ų | 8 | 73.5 Ų | 73.5 | 7% | 0.066 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 119.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1472 I1473 I1695 | A1460-L1472 CarbonylContact C-O 3.53Å; A1460-L1472 WeakPolarHBondContact CA-O 3.23Å; A1460-I1473 HydrophobicContact CB-CG1 4.09Å; A1460-I1695 HydrophobicContact CB-CG2 4.14Å |
| 1461 | N | 62.3 | Low | 50.6 | Low | 86 Ų | 86 | 71.7 Ų | 71.7 | 46% | 0.46 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.9 | -174.1 | -63.2 | -34.5 | 0 | 0 | 0 | 110.7 | L1471 L1472 | N1461-L1471 CarbonylContact O-C 3.43Å; N1461-L1471 WeakPolarHBondContact O-CA 3.28Å; N1461-L1472 PolarHBondContact N-O 2.79Å; N1461-L1472 PolarHBondContact O-N 3.17Å |
| 1462 | C | 58 | Low | 52.5 | Low | 70 Ų | 70 | 66.3 Ų | 66.3 | 47% | 0.473 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 144.7 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 113 | N1464 | C1462-N1464 PolarHBondContact O-N 3.18Å |
| 1463 | L | 49.6 | Very low | 54.4 | Low | 50 Ų | 50 | 62.6 Ų | 62.6 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | trans | -92.8 | 91.2 | 179.7 | -83.4 | 162.7 | 0 | 0 | 0 | 112.5 | I1465 D1470 L1472 K1530 | L1463-I1465 PolarHBondContact O-N 2.92Å; L1463-D1470 HydrophobicContact CB-CB 4.46Å; L1463-D1470 PolarHBondContact N-O 3.22Å; L1463-L1472 HydrophobicContact CD1-CB 4.14Å; L1463-L1472 HydrophobicContact CD2-CB 4.18Å; L1463-L1472 HydrophobicContact CG-CB 3.88Å; L1463-K1530 HydrophobicContact CD1-CB 4.41Å; L1463-K1530 HydrophobicContact CD1-CD 3.87Å; L1463-K1530 HydrophobicContact CD1-CG 3.75Å | ||
| 1464 | N | 43 | Very low | 55.6 | Low | 128 Ų | 128 | 59.5 Ų | 59.5 | 68% | 0.684 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 10.9 | -175.9 | -101.8 | -1.1 | 0 | 0 | 0 | 118 | C1462 | C1462-N1464 PolarHBondContact O-N 3.18Š|
| 1465 | I | 37.7 | Very low | 56.7 | Low | 161 Ų | 161 | 58.1 Ų | 58.1 | 83% | 0.826 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | -20.8 | -170.8 | -58.6 | 179.8 | 0 | 0 | 0 | 113.5 | L1463 | L1463-I1465 PolarHBondContact O-N 2.92Š|
| 1466 | T | 34.2 | Very low | 57.4 | Low | 70 Ų | 70 | 59.7 Ų | 59.7 | 43% | 0.429 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -145.4 | 117.2 | 179.3 | 61.1 | 0 | 0 | 0 | 0 | 111 | K1530 | T1466-K1530 PolarHBondContact OG1-NZ 2.93Š|
| 1467 | D | 36.4 | Very low | 58.1 | Low | 111 Ų | 111 | 59.3 Ų | 59.3 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | trans | 46.1 | 120.9 | -178.2 | -91.6 | 20 | 0 | 0 | 0 | 115.6 | N1469 D1470 K1535 | D1467-N1469 PolarHBondContact O-N 3.48Å; D1467-D1470 PolarHBondContact O-N 2.92Å; D1467-D1470 VanDerWaalsContact O-N 3.11Å; D1467-K1535 IonicContact OD2-NZ 3.42Å; D1467-K1535 PolarHBondContact OD2-NZ 3.19Å | ||
| 1468 | I | 44.5 | Very low | 58.4 | Low | 133 Ų | 133 | 60.2 Ų | 60.2 | 68% | 0.682 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -16.4 | -169 | -67.6 | 169.6 | 0 | 0 | 0 | 115.2 | M1704 | I1468-M1704 HydrophobicContact CG2-CE 4.39Å; I1468-M1704 HydrophobicContact CG2-SD 4.4Å |
| 1469 | N | 53.4 | Low | 59 | Low | 97 Ų | 97 | 59.7 Ų | 59.7 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 1.4 | -172.5 | -53.6 | -8.7 | 0 | 0 | 0 | 114.4 | D1467 W1501 P1533 | D1467-N1469 PolarHBondContact O-N 3.48Å; N1469-W1501 WeakPolarHBondContact O-CH2 3.39Å; N1469-W1501 VanDerWaalsContact O-CZ3 3.28Å; N1469-W1501 WeakPolarHBondContact O-CZ3 3.31Å; N1469-P1533 HydrophobicContact CB-CG 3.76Å |
| 1470 | D | 60.4 | Low | 58.6 | Low | 18 Ų | 18 | 58.3 Ų | 58.3 | 10% | 0.096 | 31% | 0.313 | C | S | . | . | trans | -85.2 | 136.8 | -179.1 | -78.7 | -25.3 | 0 | 0 | 0 | 112.9 | L1463 D1467 K1530 S1532 | L1463-D1470 HydrophobicContact CB-CB 4.46Å; L1463-D1470 PolarHBondContact N-O 3.22Å; D1467-D1470 PolarHBondContact O-N 2.92Å; D1467-D1470 VanDerWaalsContact O-N 3.11Å; D1470-K1530 VanDerWaalsContact CB-CE 3.44Å; D1470-K1530 WeakPolarHBondContact OD2-CE 3.45Å; D1470-K1530 IonicContact OD2-NZ 3.29Å; D1470-K1530 PolarHBondContact OD2-NZ 2.91Å; D1470-S1532 VanDerWaalsContact OD1-CA 3.26Å; D1470-S1532 WeakPolarHBondContact OD1-CA 3.47Å; D1470-S1532 WeakPolarHBondContact OD1-CB 3.39Å | ||
| 1471 | L | 66.9 | Low | 58.1 | Low | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 148.3 | -179.3 | -60.1 | 172 | 0 | 0 | 0 | 112.3 | N1461 W1501 K1530 A1531 L1664 I1666 | N1461-L1471 CarbonylContact O-C 3.43Å; N1461-L1471 WeakPolarHBondContact O-CA 3.28Å; L1471-W1501 HydrophobicContact CB-CZ3 4.48Å; L1471-W1501 HydrophobicContact CD1-CE3 4.09Å; L1471-W1501 HydrophobicContact CD1-CH2 3.55Å; L1471-W1501 HydrophobicContact CD1-CZ2 4.01Å; L1471-W1501 HydrophobicContact CD1-CZ3 3.59Å; L1471-W1501 HydrophobicContact CG-CH2 3.84Å; L1471-W1501 HydrophobicContact CG-CZ3 3.74Å; L1471-K1530 CarbonylContact O-C 3.5Å; L1471-K1530 VanDerWaalsContact O-CA 3.3Å; L1471-K1530 WeakPolarHBondContact O-CA 3.32Å; L1471-A1531 HydrophobicContact CB-CB 4.26Å; L1471-A1531 PolarHBondContact N-O 3.29Å; L1471-A1531 PolarHBondContact O-N 3.49Å; L1471-L1664 HydrophobicContact CD1-CD1 4.12Å; L1471-L1664 HydrophobicContact CD1-CG 4.46Å; L1471-I1666 HydrophobicContact CD1-CD1 3.83Å |
| 1472 | L | 70.4 | Confident | 57.2 | Low | 44 Ų | 44 | 63.1 Ų | 63.1 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 110.9 | 165.7 | 171.1 | 66 | 0 | 0 | 0 | 108.5 | A1460 N1461 L1463 I1506 Y1528 F1529 | A1460-L1472 CarbonylContact C-O 3.53Å; A1460-L1472 WeakPolarHBondContact CA-O 3.23Å; N1461-L1472 PolarHBondContact N-O 2.79Å; N1461-L1472 PolarHBondContact O-N 3.17Å; L1463-L1472 HydrophobicContact CD1-CB 4.14Å; L1463-L1472 HydrophobicContact CD2-CB 4.18Å; L1463-L1472 HydrophobicContact CG-CB 3.88Å; L1472-I1506 HydrophobicContact CD1-CD1 3.36Å; L1472-Y1528 HydrophobicContact CD1-CD1 4.11Å; L1472-F1529 CarbonylContact C-O 3.52Å; L1472-F1529 WeakPolarHBondContact CA-O 3.47Å |
| 1473 | I | 74.4 | Confident | 56.5 | Low | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.9 | 174.2 | -56.9 | 173 | 0 | 0 | 0 | 108.8 | V1459 A1460 V1475 I1503 Y1528 F1529 A1531 I1666 L1668 I1695 | V1459-I1473 CarbonylContact O-C 3.31Å; V1459-I1473 WeakPolarHBondContact O-CA 3.33Å; A1460-I1473 HydrophobicContact CB-CG1 4.09Å; I1473-V1475 HydrophobicContact CG2-CG2 3.98Å; I1473-I1503 HydrophobicContact CD1-CG2 4.32Å; I1473-Y1528 CarbonylContact O-C 3.54Å; I1473-Y1528 WeakPolarHBondContact O-CA 3.36Å; I1473-F1529 HydrophobicContact CB-CB 4.43Å; I1473-F1529 PolarHBondContact N-O 2.86Å; I1473-F1529 PolarHBondContact O-N 3.01Å; I1473-A1531 HydrophobicContact CD1-CB 3.75Å; I1473-A1531 HydrophobicContact CG1-CB 4.31Å; I1473-I1666 HydrophobicContact CD1-CD1 4.24Å; I1473-I1666 HydrophobicContact CD1-CG2 3.94Å; I1473-L1668 HydrophobicContact CG2-CD1 4.44Å; I1473-I1695 HydrophobicContact CD1-CD1 4.17Å; I1473-I1695 HydrophobicContact CG1-CD1 4.4Å; I1473-I1695 HydrophobicContact CG2-CD1 3.52Å |
| 1474 | S | 68.7 | Low | 56.1 | Low | 22 Ų | 22 | 65.2 Ų | 65.2 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.6 | 168.5 | 57.1 | 0 | 0 | 0 | 0 | 109.9 | A1458 V1459 L1527 | A1458-S1474 CarbonylContact C-O 3.58Å; A1458-S1474 VanDerWaalsContact CA-O 3.27Å; A1458-S1474 WeakPolarHBondContact CA-O 3.33Å; V1459-S1474 PolarHBondContact N-O 2.84Å; V1459-S1474 PolarHBondContact O-N 2.78Å; V1459-S1474 PolarHBondContact O-OG 3.29Å; S1474-L1527 CarbonylContact C-O 3.58Å; S1474-L1527 WeakPolarHBondContact CA-O 3.5Å |
| 1475 | V | 75.8 | Confident | 56 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.4 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | A1458 I1473 I1477 T1526 L1527 F1529 L1668 I1670 | A1458-V1475 HydrophobicContact CB-CB 4.34Å; A1458-V1475 HydrophobicContact CB-CG1 4.42Å; A1458-V1475 HydrophobicContact CB-CG2 4.03Å; I1473-V1475 HydrophobicContact CG2-CG2 3.98Å; V1475-I1477 HydrophobicContact CG1-CD1 4.36Å; V1475-I1477 HydrophobicContact CG1-CG1 4.07Å; V1475-T1526 CarbonylContact O-C 3.59Å; V1475-T1526 VanDerWaalsContact O-CA 3.29Å; V1475-T1526 WeakPolarHBondContact O-CA 3.42Å; V1475-L1527 PolarHBondContact N-O 3.31Å; V1475-L1527 PolarHBondContact O-N 2.57Å; V1475-F1529 HydrophobicContact CG2-CD2 4.29Å; V1475-F1529 HydrophobicContact CG2-CE2 4.07Å; V1475-L1668 HydrophobicContact CG2-CD1 3.92Å; V1475-I1670 HydrophobicContact CG1-CD1 4.05Å |
| 1476 | Q | 71.4 | Confident | 56.4 | Low | 81 Ų | 81 | 57.5 Ų | 57.5 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133 | 178.9 | -168.7 | 170.1 | 31.7 | 0 | 0 | 110 | E1457 I1524 I1525 | E1457-Q1476 PolarHBondContact N-O 3.33Å; E1457-Q1476 PolarHBondContact O-N 3.13Å; Q1476-I1524 HydrophobicContact CG-CG2 3.4Å; Q1476-I1524 VanDerWaalsContact CG-CG2 3.4Å; Q1476-I1525 WeakPolarHBondContact CA-O 3.31Å |
| 1477 | I | 72.1 | Confident | 57.4 | Low | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.6 | -170.5 | -49.3 | 177.3 | 0 | 0 | 0 | 109.2 | F1456 V1475 I1491 I1519 I1524 I1525 L1527 | F1456-I1477 HydrophobicContact CD1-CB 4.31Å; F1456-I1477 HydrophobicContact CD1-CD1 4.12Å; F1456-I1477 HydrophobicContact CD1-CG1 3.87Å; F1456-I1477 HydrophobicContact CD1-CG2 3.69Å; F1456-I1477 HydrophobicContact CE1-CB 4.48Å; F1456-I1477 HydrophobicContact CE1-CD1 4.04Å; F1456-I1477 HydrophobicContact CE1-CG1 4.19Å; F1456-I1477 HydrophobicContact CE1-CG2 3.52Å; F1456-I1477 HydrophobicContact CG-CG2 4.45Å; F1456-I1477 HydrophobicContact CZ-CG2 4.17Å; V1475-I1477 HydrophobicContact CG1-CD1 4.36Å; V1475-I1477 HydrophobicContact CG1-CG1 4.07Å; I1477-I1491 HydrophobicContact CD1-CD1 3.77Å; I1477-I1491 HydrophobicContact CD1-CG1 3.89Å; I1477-I1519 HydrophobicContact CB-CD1 3.81Å; I1477-I1519 HydrophobicContact CG2-CD1 3.47Å; I1477-I1519 VanDerWaalsContact CG2-CD1 3.47Å; I1477-I1524 WeakPolarHBondContact O-CA 3.35Å; I1477-I1525 HydrophobicContact CB-CG1 4.17Å; I1477-I1525 PolarHBondContact N-O 2.57Å; I1477-I1525 PolarHBondContact O-N 3.37Å; I1477-L1527 HydrophobicContact CD1-CD1 4.45Å |
| 1478 | K | 66.4 | Low | 58.8 | Low | 92 Ų | 92 | 50.8 Ų | 50.8 | 40% | 0.4 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131 | -175.9 | 178.8 | 176.4 | -179.9 | -173.8 | 0 | 112.2 | N1455 V1480 I1524 | N1455-K1478 PolarHBondContact N-O 3.29Å; N1455-K1478 PolarHBondContact O-N 3Å; K1478-V1480 HydrophobicContact CD-CG1 4.13Å; K1478-V1480 HydrophobicContact CG-CG1 4.03Å; K1478-I1524 HydrophobicContact CB-CG1 4.1Å; K1478-I1524 HydrophobicContact CD-CD1 3.98Å; K1478-I1524 HydrophobicContact CD-CG1 4.15Å; K1478-I1524 HydrophobicContact CG-CD1 4.31Å; K1478-I1524 HydrophobicContact CG-CG1 3.92Å |
| 1479 | N | 70.6 | Confident | 59.9 | Low | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | trans | -76.9 | 121.4 | 169.9 | -167.3 | -17.7 | 0 | 0 | 0 | 110.9 | V1481 M1487 F1489 I1519 H1520 V1521 E1523 | N1479-V1481 WeakPolarHBondContact OD1-CG2 3.5Å; N1479-V1481 PolarHBondContact OD1-N 2.97Å; N1479-M1487 PolarHBondContact ND2-O 2.91Å; N1479-F1489 HydrophobicContact CB-CD2 4.5Å; N1479-F1489 WeakPolarHBondContact ND2-CD2 3.43Å; N1479-I1519 HydrophobicContact CB-CG2 4.31Å; N1479-H1520 WeakPolarHBondContact CB-O 3.37Å; N1479-H1520 PolarHBondContact ND2-O 2.8Å; N1479-V1521 WeakPolarHBondContact ND2-CA 3.49Å; N1479-E1523 PolarHBondContact N-O 3.07Å | ||
| 1480 | V | 53.2 | Low | 60.8 | Low | 42 Ų | 42 | 43 Ų | 43 | 26% | 0.255 | 23% | 0.232 | S | C | . | . | trans | -121.2 | 20.3 | -177.7 | -66 | 0 | 0 | 0 | 0 | 113 | N1455 K1478 H1482 | N1455-V1480 HydrophobicContact CB-CG1 3.96Å; N1455-V1480 HydrophobicContact CB-CG2 4.08Å; K1478-V1480 HydrophobicContact CD-CG1 4.13Å; K1478-V1480 HydrophobicContact CG-CG1 4.03Å; V1480-H1482 PolarHBondContact O-CD2 2.97Å; V1480-H1482 VanDerWaalsContact O-CD2 3.22Å; V1480-H1482 PolarHBondContact O-N 3.32Å | ||
| 1481 | V | 50.9 | Low | 61.5 | Low | 28 Ų | 28 | 42.1 Ų | 42.1 | 17% | 0.17 | 23% | 0.228 | C | C | . | . | trans | -73 | 94.6 | 178.1 | 178 | 0 | 0 | 0 | 0 | 110.3 | N1479 S1483 F1489 | N1479-V1481 WeakPolarHBondContact OD1-CG2 3.5Å; N1479-V1481 PolarHBondContact OD1-N 2.97Å; V1481-S1483 PolarHBondContact O-N 3.17Å; V1481-S1483 VanDerWaalsContact O-N 3.13Å; V1481-F1489 HydrophobicContact CG2-CE2 3.94Å; V1481-F1489 HydrophobicContact CG2-CZ 4.02Å | ||
| 1482 | H | 42.7 | Very low | 61.8 | Low | 167 Ų | 167 | 42.9 Ų | 42.9 | 77% | 0.773 | 23% | 0.232 | S | C | * | . | trans | -84.1 | 45.5 | 173.7 | -68.5 | -77.6 | 0 | 0 | 0 | 112.6 | V1480 | V1480-H1482 PolarHBondContact O-CD2 2.97Å; V1480-H1482 VanDerWaalsContact O-CD2 3.22Å; V1480-H1482 PolarHBondContact O-N 3.32Å | ||
| 1483 | S | 44.1 | Very low | 61.4 | Low | 66 Ų | 66 | 43.2 Ų | 43.2 | 46% | 0.462 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -97.9 | 156.7 | 178 | 126.4 | 0 | 0 | 0 | 0 | 111.5 | V1481 V1485 | V1481-S1483 PolarHBondContact O-N 3.17Å; V1481-S1483 VanDerWaalsContact O-N 3.13Å; S1483-V1485 PolarHBondContact O-N 3.4Å; S1483-V1485 PolarHBondContact OG-N 2.79Å; S1483-V1485 PolarHBondContact OG-O 2.77Å |
| 1484 | T | 41.3 | Very low | 61.5 | Low | 99 Ų | 99 | 43.1 Ų | 43.1 | 61% | 0.607 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -66.9 | -16 | 174.2 | 47.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1485 | V | 41 | Very low | 61.3 | Low | 67 Ų | 67 | 42.4 Ų | 42.4 | 41% | 0.406 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -103.1 | 119.8 | 170.3 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | S1483 T1676 | S1483-V1485 PolarHBondContact O-N 3.4Å; S1483-V1485 PolarHBondContact OG-N 2.79Å; S1483-V1485 PolarHBondContact OG-O 2.77Å; V1485-T1676 HydrophobicContact CG1-CG2 3.71Å |
| 1486 | P | 46 | Very low | 61 | Low | 59 Ų | 59 | 42.4 Ų | 42.4 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | trans | -74.1 | 136.4 | 176.1 | 29.9 | -33.5 | 0 | 0 | 0 | 111.2 | V1521 | P1486-V1521 HydrophobicContact CB-CB 4.43Å; P1486-V1521 HydrophobicContact CB-CG2 3.7Å | ||
| 1487 | M | 55.7 | Low | 60.5 | Low | 30 Ų | 30 | 42 Ų | 42 | 15% | 0.148 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 113.9 | -177.2 | -161.6 | 169.2 | 86.7 | 0 | 0 | 110.2 | N1479 F1489 V1521 T1676 I1687 | N1479-M1487 PolarHBondContact ND2-O 2.91Å; M1487-F1489 HydrophobicContact CE-CE1 3.71Å; M1487-F1489 HydrophobicContact CE-CE2 4.37Å; M1487-F1489 HydrophobicContact CE-CZ 3.44Å; M1487-F1489 VanDerWaalsContact CE-CZ 3.44Å; M1487-F1489 WeakPolarHBondContact O-CE2 3.46Å; M1487-V1521 VanDerWaalsContact N-CG2 3.26Å; M1487-V1521 WeakPolarHBondContact O-CG2 3.37Å; M1487-T1676 HydrophobicContact CB-CG2 4.14Å; M1487-T1676 HydrophobicContact CG-CG2 3.88Å; M1487-T1676 HydrophobicContact SD-CG2 4.24Å; M1487-I1687 HydrophobicContact CE-CB 4.47Å; M1487-I1687 HydrophobicContact CE-CD1 4.11Å; M1487-I1687 HydrophobicContact SD-CD1 3.93Å |
| 1488 | N | 64.6 | Low | 59.7 | Low | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 150.8 | -177.6 | -56.9 | -25.8 | 0 | 0 | 0 | 109.7 | I1519 H1520 V1521 G1674 S1675 E1677 | N1488-I1519 CarbonylContact C-O 3.5Å; N1488-I1519 WeakPolarHBondContact CA-O 3.43Å; N1488-H1520 PolarHBondContact ND2-ND1 3.22Å; N1488-H1520 VanDerWaalsContact OD1-CA 3.3Å; N1488-H1520 WeakPolarHBondContact OD1-CA 3.1Å; N1488-V1521 PolarHBondContact OD1-N 3.19Å; N1488-G1674 CarbonylContact O-C 3.59Å; N1488-G1674 VanDerWaalsContact O-CA 3.23Å; N1488-G1674 WeakPolarHBondContact O-CA 3.35Å; N1488-S1675 PolarHBondContact N-O 2.95Å; N1488-S1675 PolarHBondContact O-N 3.32Å; N1488-E1677 PolarHBondContact ND2-OE1 3.46Å; N1488-E1677 PolarHBondContact ND2-OE2 3.43Å |
| 1489 | F | 68.6 | Low | 59.2 | Low | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 154.7 | -175.2 | -64.4 | -92.5 | 0 | 0 | 0 | 113.2 | L1454 N1479 V1481 M1487 S1518 I1519 W1672 K1673 | L1454-F1489 HydrophobicContact CD1-CD1 3.77Å; L1454-F1489 HydrophobicContact CD1-CD2 4.46Å; L1454-F1489 HydrophobicContact CD1-CE1 3.56Å; L1454-F1489 HydrophobicContact CD1-CE2 4.29Å; L1454-F1489 HydrophobicContact CD1-CG 4.22Å; L1454-F1489 HydrophobicContact CD1-CZ 3.84Å; L1454-F1489 HydrophobicContact CD2-CD2 4.21Å; L1454-F1489 HydrophobicContact CD2-CE2 4.07Å; L1454-F1489 HydrophobicContact CD2-CZ 4.35Å; L1454-F1489 HydrophobicContact CG-CE1 4.17Å; L1454-F1489 HydrophobicContact CG-CE2 4.13Å; L1454-F1489 HydrophobicContact CG-CZ 3.9Å; N1479-F1489 HydrophobicContact CB-CD2 4.5Å; N1479-F1489 WeakPolarHBondContact ND2-CD2 3.43Å; V1481-F1489 HydrophobicContact CG2-CE2 3.94Å; V1481-F1489 HydrophobicContact CG2-CZ 4.02Å; M1487-F1489 HydrophobicContact CE-CE1 3.71Å; M1487-F1489 HydrophobicContact CE-CE2 4.37Å; M1487-F1489 HydrophobicContact CE-CZ 3.44Å; M1487-F1489 VanDerWaalsContact CE-CZ 3.44Å; M1487-F1489 WeakPolarHBondContact O-CE2 3.46Å; F1489-S1518 CarbonylContact O-C 3.51Å; F1489-S1518 VanDerWaalsContact O-CA 3.32Å; F1489-S1518 WeakPolarHBondContact O-CA 3.23Å; F1489-I1519 PolarHBondContact N-O 3.33Å; F1489-I1519 PolarHBondContact O-N 2.64Å; F1489-W1672 HydrophobicContact CD1-CD2 4.4Å; F1489-W1672 AromaticContact CD1-CE3 3.67Å; F1489-W1672 HydrophobicContact CD1-CE3 3.67Å; F1489-W1672 HydrophobicContact CD1-CZ3 4.03Å; F1489-W1672 AromaticContact CE1-CE3 3.76Å; F1489-W1672 HydrophobicContact CE1-CE3 3.76Å; F1489-W1672 HydrophobicContact CE1-CH2 4.35Å; F1489-W1672 AromaticContact CE1-CZ3 3.62Å; F1489-W1672 HydrophobicContact CE1-CZ3 3.62Å; F1489-K1673 CarbonylContact C-O 3.56Å; F1489-K1673 VanDerWaalsContact CA-O 3.32Å; F1489-K1673 WeakPolarHBondContact CA-O 3.43Å |
| 1490 | Q | 71.3 | Confident | 58.6 | Low | 59 Ų | 59 | 50 Ų | 50 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 141.5 | 174.6 | -61.9 | -178.9 | -43.1 | 0 | 0 | 109.6 | M1492 P1517 W1672 K1673 | Q1490-M1492 HydrophobicContact CB-SD 4.14Å; Q1490-P1517 WeakPolarHBondContact CA-O 3.4Å; Q1490-W1672 CarbonylContact O-C 3.51Å; Q1490-W1672 VanDerWaalsContact O-CA 3.24Å; Q1490-W1672 WeakPolarHBondContact O-CA 3.34Å; Q1490-K1673 HydrophobicContact CB-CB 4.49Å; Q1490-K1673 PolarHBondContact N-O 3.17Å; Q1490-K1673 PolarHBondContact O-N 3.24Å; Q1490-K1673 VanDerWaalsContact OE1-NZ 3.11Å |
| 1491 | I | 74.8 | Confident | 59.3 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.4 | 179.3 | -55.1 | -57.5 | 0 | 0 | 0 | 110.1 | I1477 I1494 I1516 P1517 I1519 I1525 I1670 W1672 | I1477-I1491 HydrophobicContact CD1-CD1 3.77Å; I1477-I1491 HydrophobicContact CD1-CG1 3.89Å; I1491-I1494 HydrophobicContact CG2-CD1 4.27Å; I1491-I1494 HydrophobicContact CG2-CG1 4.29Å; I1491-I1516 WeakPolarHBondContact O-CG2 3.24Å; I1491-P1517 HydrophobicContact CB-CB 4.49Å; I1491-P1517 PolarHBondContact N-O 2.98Å; I1491-I1519 HydrophobicContact CD1-CD1 3.99Å; I1491-I1519 HydrophobicContact CG1-CD1 4.02Å; I1491-I1525 HydrophobicContact CG1-CD1 4.2Å; I1491-I1670 HydrophobicContact CD1-CG2 4.4Å; I1491-I1670 HydrophobicContact CG2-CG2 4.15Å; I1491-W1672 HydrophobicContact CD1-CB 3.98Å |
| 1492 | M | 72.8 | Confident | 60.3 | Low | 18 Ų | 18 | 49.4 Ų | 49.4 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -33.5 | -167.7 | -53.9 | -57.3 | -51 | 0 | 0 | 113.4 | Q1490 I1516 F1575 N1576 T1671 K1673 W1688 | Q1490-M1492 HydrophobicContact CB-SD 4.14Å; M1492-I1516 HydrophobicContact CE-CD1 4.27Å; M1492-I1516 HydrophobicContact SD-CG2 4.29Å; M1492-F1575 PolarHBondContact O-N 2.99Å; M1492-N1576 WeakPolarHBondContact CE-OD1 3.35Å; M1492-T1671 PolarHBondContact N-O 3.22Å; M1492-K1673 HydrophobicContact CG-CB 4.24Å; M1492-K1673 HydrophobicContact SD-CB 4.39Å; M1492-K1673 HydrophobicContact SD-CD 4.45Å; M1492-W1688 HydrophobicContact CB-CZ3 4.42Å; M1492-W1688 HydrophobicContact CE-CH2 4.38Å; M1492-W1688 HydrophobicContact CG-CE3 4.4Å; M1492-W1688 HydrophobicContact CG-CH2 4.31Å; M1492-W1688 HydrophobicContact CG-CZ3 3.76Å |
| 1493 | Q | 63.9 | Low | 61.9 | Low | 51 Ų | 51 | 41.9 Ų | 41.9 | 24% | 0.238 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 144.2 | -173 | -176.4 | -177.4 | -2.5 | 0 | 0 | 111 | V1572 I1573 H1574 I1670 T1671 | Q1493-V1572 HydrophobicContact CG-CG1 4.14Å; Q1493-V1572 VanDerWaalsContact NE2-CG1 3.34Å; Q1493-I1573 WeakPolarHBondContact CA-O 3.28Å; Q1493-I1573 WeakPolarHBondContact CG-O 3.46Å; Q1493-H1574 PolarHBondContact NE2-CE1 2.95Å; Q1493-H1574 VanDerWaalsContact NE2-CE1 3.27Å; Q1493-H1574 PolarHBondContact OE1-CE1 3.49Å; Q1493-I1670 WeakPolarHBondContact O-CA 3.46Å; Q1493-T1671 PolarHBondContact O-N 3.38Å |
| 1494 | I | 74.6 | Confident | 63.3 | Low | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 120 | 169.3 | -62.9 | 178.7 | 0 | 0 | 0 | 108.7 | I1491 I1503 L1527 F1529 I1573 F1575 L1668 L1669 I1670 | I1491-I1494 HydrophobicContact CG2-CD1 4.27Å; I1491-I1494 HydrophobicContact CG2-CG1 4.29Å; I1494-I1503 HydrophobicContact CG2-CD1 4.21Å; I1494-L1527 HydrophobicContact CD1-CD1 3.94Å; I1494-F1529 HydrophobicContact CD1-CE2 4.16Å; I1494-F1529 HydrophobicContact CD1-CZ 3.71Å; I1494-I1573 PolarHBondContact N-O 3.13Å; I1494-I1573 PolarHBondContact O-N 3.19Å; I1494-F1575 HydrophobicContact CD1-CE2 4.21Å; I1494-F1575 HydrophobicContact CG1-CE2 4.27Å; I1494-L1668 HydrophobicContact CG2-CD2 4.44Å; I1494-L1669 WeakPolarHBondContact CA-O 3.49Å; I1494-I1670 HydrophobicContact CG1-CG1 4.26Å; I1494-I1670 HydrophobicContact CG1-CG2 4.18Å |
| 1495 | A | 66.4 | Low | 64.8 | Low | 7 Ų | 7 | 43.6 Ų | 43.6 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1571 V1572 L1668 L1669 | A1495-S1571 CarbonylContact C-O 3.58Å; A1495-V1572 HydrophobicContact CB-CB 4.44Å; A1495-V1572 HydrophobicContact CB-CG1 4.17Å; A1495-V1572 HydrophobicContact CB-CG2 3.99Å; A1495-L1668 CarbonylContact O-C 3.5Å; A1495-L1668 WeakPolarHBondContact O-CA 3.31Å; A1495-L1669 HydrophobicContact CB-CB 4.45Å; A1495-L1669 PolarHBondContact N-O 2.88Å; A1495-L1669 PolarHBondContact O-N 2.96Å |
| 1496 | C | 69.6 | Low | 66.2 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117.5 | 170.6 | -176 | 0 | 0 | 0 | 0 | 111.3 | I1503 S1571 N1667 L1668 | C1496-I1503 HydrophobicContact CB-CB 4.33Å; C1496-I1503 HydrophobicContact CB-CD1 3.78Å; C1496-I1503 HydrophobicContact CB-CG1 3.7Å; C1496-I1503 HydrophobicContact CB-CG2 3.76Å; C1496-S1571 PolarHBondContact N-O 3.3Å; C1496-S1571 PolarHBondContact O-N 3.05Å; C1496-N1667 CarbonylContact C-O 3.51Å; C1496-N1667 VanDerWaalsContact CA-O 3.28Å; C1496-N1667 WeakPolarHBondContact CA-O 3.23Å; C1496-L1668 HydrophobicContact CB-CD2 3.83Å |
| 1497 | I | 60.7 | Low | 66.5 | Low | 71 Ų | 71 | 48.6 Ų | 48.6 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | trans | -105 | 56.1 | -178.6 | -43.5 | 176.8 | 0 | 0 | 0 | 108.7 | I1570 N1667 L1669 | I1497-I1570 HydrophobicContact CG2-CG1 4.41Å; I1497-N1667 HydrophobicContact CB-CB 4.29Å; I1497-N1667 PolarHBondContact N-O 3.35Å; I1497-L1669 HydrophobicContact CD1-CB 4.08Å; I1497-L1669 HydrophobicContact CD1-CD2 4.31Å | ||
| 1498 | S | 55.1 | Low | 65.8 | Low | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.028 | 24% | 0.242 | C | C | . | . | trans | -110.9 | 139.8 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 111.2 | Y1500 D1665 | S1498-Y1500 VanDerWaalsContact C-N 3.26Å; S1498-Y1500 PolarHBondContact OG-N 3.12Å; S1498-D1665 WeakPolarHBondContact CB-O 3.45Å; S1498-D1665 PolarHBondContact OG-O 3.22Å | ||
| 1499 | R | 54.6 | Low | 64.6 | Low | 168 Ų | 168 | 56.8 Ų | 56.8 | 63% | 0.634 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -73.4 | -19.1 | 172.4 | -73 | -174.3 | 179.5 | 175.7 | -0.6 | 113.5 | Y1569 | R1499-Y1569 HydrophobicContact CB-CD1 4.43Å; R1499-Y1569 HydrophobicContact CB-CG 4.46Å; R1499-Y1569 HydrophobicContact CG-CD2 4.42Å; R1499-Y1569 HydrophobicContact CG-CG 4.22Å; R1499-Y1569 WeakPolarHBondContact O-CD1 3.46Å |
| 1500 | Y | 59.3 | Low | 63.2 | Low | 96 Ų | 96 | 61.6 Ų | 61.6 | 38% | 0.376 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -115.4 | -15.6 | -169.9 | -49.4 | -56.8 | 0 | 0 | 0 | 113.5 | S1498 P1533 I1534 F1663 | S1498-Y1500 VanDerWaalsContact C-N 3.26Å; S1498-Y1500 PolarHBondContact OG-N 3.12Å; Y1500-P1533 CarbonylContact O-C 3.58Å; Y1500-P1533 VanDerWaalsContact O-CA 3.25Å; Y1500-P1533 WeakPolarHBondContact O-CA 3.36Å; Y1500-I1534 PolarHBondContact O-N 3.25Å; Y1500-F1663 HydrophobicContact CD1-CD1 4.2Å; Y1500-F1663 HydrophobicContact CD2-CD1 4.2Å; Y1500-F1663 HydrophobicContact CE1-CD1 4.17Å; Y1500-F1663 HydrophobicContact CE1-CE1 4.19Å; Y1500-F1663 HydrophobicContact CE2-CD1 4.16Å; Y1500-F1663 HydrophobicContact CG-CD1 4.22Å |
| 1501 | W | 67.2 | Low | 61.8 | Low | 21 Ų | 21 | 65.9 Ų | 65.9 | 8% | 0.08 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139 | -171.2 | -63.3 | 91.4 | 0 | 0 | 0 | 112.2 | N1469 L1471 A1531 P1533 F1663 L1664 I1666 | N1469-W1501 WeakPolarHBondContact O-CH2 3.39Å; N1469-W1501 VanDerWaalsContact O-CZ3 3.28Å; N1469-W1501 WeakPolarHBondContact O-CZ3 3.31Å; L1471-W1501 HydrophobicContact CB-CZ3 4.48Å; L1471-W1501 HydrophobicContact CD1-CE3 4.09Å; L1471-W1501 HydrophobicContact CD1-CH2 3.55Å; L1471-W1501 HydrophobicContact CD1-CZ2 4.01Å; L1471-W1501 HydrophobicContact CD1-CZ3 3.59Å; L1471-W1501 HydrophobicContact CG-CH2 3.84Å; L1471-W1501 HydrophobicContact CG-CZ3 3.74Å; W1501-A1531 HydrophobicContact CE3-CB 4.13Å; W1501-P1533 HydrophobicContact CE3-CB 4.41Å; W1501-P1533 HydrophobicContact CH2-CB 4.47Å; W1501-P1533 HydrophobicContact CZ3-CB 4.26Å; W1501-F1663 PolarHBondContact NE1-O 2.95Å; W1501-L1664 HydrophobicContact CZ2-CD1 4.28Å; W1501-L1664 HydrophobicContact CZ2-CG 4.34Å; W1501-I1666 HydrophobicContact CB-CD1 4.13Å; W1501-I1666 HydrophobicContact CB-CG1 4Å; W1501-I1666 HydrophobicContact CD2-CD1 3.79Å; W1501-I1666 HydrophobicContact CD2-CG1 4.24Å; W1501-I1666 HydrophobicContact CE3-CD1 4.26Å; W1501-I1666 HydrophobicContact CG-CD1 3.69Å; W1501-I1666 HydrophobicContact CG-CG1 3.66Å |
| 1502 | S | 71.2 | Confident | 60.2 | Low | 36 Ų | 36 | 71.2 Ų | 71.2 | 25% | 0.252 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.9 | 172.1 | 68.2 | 0 | 0 | 0 | 0 | 111 | A1531 S1532 S1571 | S1502-A1531 CarbonylContact O-C 3.52Å; S1502-A1531 WeakPolarHBondContact O-CA 3.46Å; S1502-S1532 PolarHBondContact N-O 2.94Å; S1502-S1532 PolarHBondContact O-N 3.38Å; S1502-S1532 PolarHBondContact O-OG 3.17Å; S1502-S1532 PolarHBondContact OG-O 3.3Å; S1502-S1532 PolarHBondContact OG-OG 3.21Å; S1502-S1571 WeakPolarHBondContact CA-OG 3.31Å |
| 1503 | I | 77.4 | Confident | 58.8 | Low | 9 Ų | 9 | 75.2 Ų | 75.2 | 5% | 0.046 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 148.3 | -175.7 | 67.3 | 167.1 | 0 | 0 | 0 | 113 | I1473 I1494 C1496 K1530 A1531 S1571 I1573 L1668 | I1473-I1503 HydrophobicContact CD1-CG2 4.32Å; I1494-I1503 HydrophobicContact CG2-CD1 4.21Å; C1496-I1503 HydrophobicContact CB-CB 4.33Å; C1496-I1503 HydrophobicContact CB-CD1 3.78Å; C1496-I1503 HydrophobicContact CB-CG1 3.7Å; C1496-I1503 HydrophobicContact CB-CG2 3.76Å; I1503-K1530 CarbonylContact C-O 3.54Å; I1503-K1530 WeakPolarHBondContact CA-O 3.23Å; I1503-A1531 HydrophobicContact CG2-CB 3.91Å; I1503-S1571 PolarHBondContact N-OG 3.26Å; I1503-S1571 VanDerWaalsContact N-OG 3.15Å; I1503-I1573 HydrophobicContact CD1-CD1 3.7Å; I1503-I1573 HydrophobicContact CD1-CG1 4.3Å; I1503-I1573 HydrophobicContact CG1-CD1 3.92Å; I1503-I1573 HydrophobicContact CG1-CG1 4.39Å; I1503-L1668 HydrophobicContact CD1-CD2 4.12Å |
| 1504 | K | 73 | Confident | 57.9 | Low | 136 Ų | 136 | 76.3 Ų | 76.3 | 59% | 0.591 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140 | 143.1 | 171.4 | -63.4 | -178.5 | -178.5 | 176.5 | 0 | 109.5 | F1529 K1530 | K1504-F1529 CarbonylContact O-C 3.55Å; K1504-F1529 VanDerWaalsContact O-CA 3.29Å; K1504-F1529 WeakPolarHBondContact O-CA 3.41Å; K1504-K1530 PolarHBondContact N-O 3.06Å; K1504-K1530 PolarHBondContact O-N 3.23Å |
| 1505 | P | 73.9 | Confident | 56.9 | Low | 65 Ų | 65 | 80.1 Ų | 80.1 | 42% | 0.422 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 150.9 | 174.8 | 31.4 | -33.3 | 0 | 0 | 0 | 110.8 | F1529 I1573 | P1505-F1529 HydrophobicContact CB-CD1 4.19Å; P1505-F1529 HydrophobicContact CB-CE1 4.32Å; P1505-I1573 HydrophobicContact CG-CD1 4.49Å |
| 1506 | I | 70 | Confident | 56.7 | Low | 73 Ų | 73 | 82.4 Ų | 82.4 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | trans | -100.8 | 125.9 | 172.8 | -62.3 | 169.5 | 0 | 0 | 0 | 108.2 | L1472 S1508 Y1528 K1530 | L1472-I1506 HydrophobicContact CD1-CD1 3.36Å; I1506-S1508 PolarHBondContact O-N 3.18Å; I1506-S1508 VanDerWaalsContact O-N 3.08Å; I1506-Y1528 PolarHBondContact N-O 3.23Å; I1506-Y1528 VanDerWaalsContact N-O 3.17Å; I1506-K1530 HydrophobicContact CD1-CB 4.01Å; I1506-K1530 HydrophobicContact CG1-CB 3.93Å | ||
| 1507 | Q | 51.8 | Low | 56.5 | Low | 158 Ų | 158 | 83.6 Ų | 83.6 | 74% | 0.738 | 43% | 0.426 | S | S | * | . | trans | -68.4 | 106.1 | 178.5 | -76.7 | 179.9 | -49.9 | 0 | 0 | 110.9 | I1513 | Q1507-I1513 HydrophobicContact CG-CD1 4.15Š| ||
| 1508 | S | 42.2 | Very low | 57 | Low | 61 Ų | 61 | 82.9 Ų | 82.9 | 43% | 0.427 | 43% | 0.427 | S | S | . | . | trans | -78.9 | 134.1 | 158.4 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | I1506 T1510 W1511 | I1506-S1508 PolarHBondContact O-N 3.18Å; I1506-S1508 VanDerWaalsContact O-N 3.08Å; S1508-T1510 PolarHBondContact O-N 2.99Å; S1508-W1511 PolarHBondContact O-N 2.99Å | ||
| 1509 | T | 37.9 | Very low | 57.9 | Low | 152 Ų | 152 | 82.8 Ų | 82.8 | 93% | 0.933 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 4.2 | -170.7 | 50.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1510 | T | 39.1 | Very low | 58.6 | Low | 107 Ų | 107 | 78.5 Ų | 78.5 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -14.2 | 177.4 | 55 | 0 | 0 | 0 | 0 | 114.3 | S1508 | S1508-T1510 PolarHBondContact O-N 2.99Š|
| 1511 | W | 41.6 | Very low | 58.6 | Low | 150 Ų | 150 | 77.1 Ų | 77.1 | 57% | 0.568 | 42% | 0.415 | S | S | * | . | trans | -119.5 | 111 | -175.4 | -66.7 | -26.4 | 0 | 0 | 0 | 111 | S1508 L1527 | S1508-W1511 PolarHBondContact O-N 2.99Å; W1511-L1527 HydrophobicContact CZ3-CD2 4.19Å | ||
| 1512 | N | 42.3 | Very low | 58.3 | Low | 113 Ų | 113 | 78.5 Ų | 78.5 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | trans | -69.3 | 137.1 | 165.3 | -163.2 | 29.7 | 0 | 0 | 0 | 108.3 | D1514 T1515 | N1512-D1514 PolarHBondContact ND2-OD2 2.88Å; N1512-D1514 PolarHBondContact O-N 2.84Å; N1512-T1515 PolarHBondContact O-N 2.81Å; N1512-T1515 PolarHBondContact O-OG1 2.94Å; N1512-T1515 VanDerWaalsContact O-OG1 3.07Å | ||
| 1513 | I | 43.6 | Very low | 57.9 | Low | 101 Ų | 101 | 80.6 Ų | 80.6 | 52% | 0.518 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.9 | -166.1 | -68.9 | 173.1 | 0 | 0 | 0 | 112.7 | Q1507 T1515 | Q1507-I1513 HydrophobicContact CG-CD1 4.15Å; I1513-T1515 VanDerWaalsContact C-N 3.3Å; I1513-T1515 PolarHBondContact O-N 2.92Å |
| 1514 | D | 44.9 | Very low | 57.6 | Low | 75 Ų | 75 | 84 Ų | 84 | 40% | 0.401 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.9 | 179.5 | -51.5 | -65.2 | 0 | 0 | 0 | 114.9 | N1512 H1577 | N1512-D1514 PolarHBondContact ND2-OD2 2.88Å; N1512-D1514 PolarHBondContact O-N 2.84Å; D1514-H1577 PolarHBondContact O-CD2 2.79Å; D1514-H1577 PolarHBondContact O-NE2 2.83Å |
| 1515 | T | 53 | Low | 57.4 | Low | 79 Ų | 79 | 78.6 Ų | 78.6 | 49% | 0.485 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 128.8 | -174.6 | 56.9 | 0 | 0 | 0 | 0 | 114 | N1512 I1513 | N1512-T1515 PolarHBondContact O-N 2.81Å; N1512-T1515 PolarHBondContact O-OG1 2.94Å; N1512-T1515 VanDerWaalsContact O-OG1 3.07Å; I1513-T1515 VanDerWaalsContact C-N 3.3Å; I1513-T1515 PolarHBondContact O-N 2.92Å |
| 1516 | I | 63 | Low | 57.4 | Low | 56 Ų | 56 | 77.4 Ų | 77.4 | 29% | 0.287 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 130.5 | -177.4 | -51.9 | -179.3 | 0 | 0 | 0 | 111.2 | I1491 M1492 | I1491-I1516 WeakPolarHBondContact O-CG2 3.24Å; M1492-I1516 HydrophobicContact CE-CD1 4.27Å; M1492-I1516 HydrophobicContact SD-CG2 4.29Å |
| 1517 | P | 64.7 | Low | 57.7 | Low | 24 Ų | 24 | 74.4 Ų | 74.4 | 16% | 0.156 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -70 | 131 | 177.9 | -18.4 | 31.6 | 0 | 0 | 0 | 113.8 | Q1490 I1491 I1525 L1527 | Q1490-P1517 WeakPolarHBondContact CA-O 3.4Å; I1491-P1517 HydrophobicContact CB-CB 4.49Å; I1491-P1517 PolarHBondContact N-O 2.98Å; P1517-I1525 HydrophobicContact CB-CD1 3.8Å; P1517-L1527 HydrophobicContact CG-CD2 4.15Å |
| 1518 | S | 71.1 | Confident | 58.8 | Low | 56 Ų | 56 | 72.6 Ų | 72.6 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 157.9 | 170.9 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | F1489 | F1489-S1518 CarbonylContact O-C 3.51Å; F1489-S1518 VanDerWaalsContact O-CA 3.32Å; F1489-S1518 WeakPolarHBondContact O-CA 3.23Å |
| 1519 | I | 74.1 | Confident | 60.6 | Low | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 104.1 | -175.5 | -43.1 | 177.2 | 0 | 0 | 0 | 109 | I1477 N1479 N1488 F1489 I1491 E1523 I1525 | I1477-I1519 HydrophobicContact CB-CD1 3.81Å; I1477-I1519 HydrophobicContact CG2-CD1 3.47Å; I1477-I1519 VanDerWaalsContact CG2-CD1 3.47Å; N1479-I1519 HydrophobicContact CB-CG2 4.31Å; N1488-I1519 CarbonylContact C-O 3.5Å; N1488-I1519 WeakPolarHBondContact CA-O 3.43Å; F1489-I1519 PolarHBondContact N-O 3.33Å; F1489-I1519 PolarHBondContact O-N 2.64Å; I1491-I1519 HydrophobicContact CD1-CD1 3.99Å; I1491-I1519 HydrophobicContact CG1-CD1 4.02Å; I1519-E1523 WeakPolarHBondContact CA-OE2 3.41Å; I1519-E1523 HydrophobicContact CG2-CB 4.03Å; I1519-E1523 HydrophobicContact CG2-CG 4.49Å; I1519-I1525 HydrophobicContact CD1-CD1 3.72Å; I1519-I1525 HydrophobicContact CD1-CG1 3.72Å; I1519-I1525 HydrophobicContact CG1-CD1 3.64Å; I1519-I1525 HydrophobicContact CG1-CG1 3.79Å; I1519-I1525 HydrophobicContact CG1-CG2 4.06Å |
| 1520 | H | 68.8 | Low | 62.3 | Low | 79 Ų | 79 | 65.3 Ų | 65.3 | 37% | 0.366 | 35% | 0.347 | S | S | . | . | trans | -72.6 | 169.6 | 176.6 | -65.7 | -88.5 | 0 | 0 | 0 | 112.4 | N1479 N1488 G1522 E1523 E1677 | N1479-H1520 WeakPolarHBondContact CB-O 3.37Å; N1479-H1520 PolarHBondContact ND2-O 2.8Å; N1488-H1520 PolarHBondContact ND2-ND1 3.22Å; N1488-H1520 VanDerWaalsContact OD1-CA 3.3Å; N1488-H1520 WeakPolarHBondContact OD1-CA 3.1Å; H1520-G1522 PolarHBondContact O-N 2.94Å; H1520-E1523 HydrophobicContact CB-CB 4.27Å; H1520-E1523 IonicContact CD2-OE2 2.73Å; H1520-E1523 PolarHBondContact CD2-OE2 2.99Å; H1520-E1523 VanDerWaalsContact CD2-OE2 3.3Å; H1520-E1523 IonicContact CG-OE2 3.2Å; H1520-E1523 PolarHBondContact N-OE2 2.78Å; H1520-E1523 VanDerWaalsContact O-CB 3.31Å; H1520-E1523 WeakPolarHBondContact O-CB 3.29Å; H1520-E1523 PolarHBondContact O-N 2.87Å; H1520-E1677 IonicContact CE1-OE1 2.64Å; H1520-E1677 PolarHBondContact CE1-OE1 2.83Å; H1520-E1677 IonicContact ND1-OE1 3.46Å; H1520-E1677 IonicContact ND1-OE2 3.42Å | ||
| 1521 | V | 60.2 | Low | 64 | Low | 66 Ų | 66 | 60.2 Ų | 60.2 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 124 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | N1479 P1486 M1487 N1488 E1523 | N1479-V1521 WeakPolarHBondContact ND2-CA 3.49Å; P1486-V1521 HydrophobicContact CB-CB 4.43Å; P1486-V1521 HydrophobicContact CB-CG2 3.7Å; M1487-V1521 VanDerWaalsContact N-CG2 3.26Å; M1487-V1521 WeakPolarHBondContact O-CG2 3.37Å; N1488-V1521 PolarHBondContact OD1-N 3.19Å; V1521-E1523 PolarHBondContact O-N 3.33Å |
| 1522 | G | 60.8 | Low | 65.3 | Low | 50 Ų | 50 | 54.5 Ų | 54.5 | 52% | 0.515 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -7.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1520 | H1520-G1522 PolarHBondContact O-N 2.94Š|
| 1523 | E | 63.7 | Low | 66.5 | Low | 80 Ų | 80 | 51 Ų | 51 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | trans | -71 | 155.4 | 177.1 | -169.7 | 171.6 | -152.7 | 0 | 0 | 111.9 | N1479 I1519 H1520 V1521 | N1479-E1523 PolarHBondContact N-O 3.07Å; I1519-E1523 WeakPolarHBondContact CA-OE2 3.41Å; I1519-E1523 HydrophobicContact CG2-CB 4.03Å; I1519-E1523 HydrophobicContact CG2-CG 4.49Å; H1520-E1523 HydrophobicContact CB-CB 4.27Å; H1520-E1523 IonicContact CD2-OE2 2.73Å; H1520-E1523 PolarHBondContact CD2-OE2 2.99Å; H1520-E1523 VanDerWaalsContact CD2-OE2 3.3Å; H1520-E1523 IonicContact CG-OE2 3.2Å; H1520-E1523 PolarHBondContact N-OE2 2.78Å; H1520-E1523 VanDerWaalsContact O-CB 3.31Å; H1520-E1523 WeakPolarHBondContact O-CB 3.29Å; H1520-E1523 PolarHBondContact O-N 2.87Å; V1521-E1523 PolarHBondContact O-N 3.33Å | ||
| 1524 | I | 69.7 | Low | 67.3 | Low | 81 Ų | 81 | 49.1 Ų | 49.1 | 42% | 0.415 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 116.7 | 177.5 | -51.2 | 178.8 | 0 | 0 | 0 | 108.8 | Q1476 I1477 K1478 | Q1476-I1524 HydrophobicContact CG-CG2 3.4Å; Q1476-I1524 VanDerWaalsContact CG-CG2 3.4Å; I1477-I1524 WeakPolarHBondContact O-CA 3.35Å; K1478-I1524 HydrophobicContact CB-CG1 4.1Å; K1478-I1524 HydrophobicContact CD-CD1 3.98Å; K1478-I1524 HydrophobicContact CD-CG1 4.15Å; K1478-I1524 HydrophobicContact CG-CD1 4.31Å; K1478-I1524 HydrophobicContact CG-CG1 3.92Å |
| 1525 | I | 68.2 | Low | 67.5 | Low | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 157.2 | 173.7 | 69.8 | 165.5 | 0 | 0 | 0 | 111.3 | Q1476 I1477 I1491 P1517 I1519 L1527 | Q1476-I1525 WeakPolarHBondContact CA-O 3.31Å; I1477-I1525 HydrophobicContact CB-CG1 4.17Å; I1477-I1525 PolarHBondContact N-O 2.57Å; I1477-I1525 PolarHBondContact O-N 3.37Å; I1491-I1525 HydrophobicContact CG1-CD1 4.2Å; P1517-I1525 HydrophobicContact CB-CD1 3.8Å; I1519-I1525 HydrophobicContact CD1-CD1 3.72Å; I1519-I1525 HydrophobicContact CD1-CG1 3.72Å; I1519-I1525 HydrophobicContact CG1-CD1 3.64Å; I1519-I1525 HydrophobicContact CG1-CG1 3.79Å; I1519-I1525 HydrophobicContact CG1-CG2 4.06Å; I1525-L1527 HydrophobicContact CD1-CD1 4.45Å; I1525-L1527 HydrophobicContact CD1-CG 4.42Å |
| 1526 | T | 74.9 | Confident | 66.9 | Low | 40 Ų | 40 | 54.4 Ų | 54.4 | 25% | 0.245 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 131.5 | 175.4 | -53 | 0 | 0 | 0 | 0 | 111.1 | V1475 Y1528 | V1475-T1526 CarbonylContact O-C 3.59Å; V1475-T1526 VanDerWaalsContact O-CA 3.29Å; V1475-T1526 WeakPolarHBondContact O-CA 3.42Å; T1526-Y1528 HydrophobicContact CG2-CE1 4.38Å; T1526-Y1528 HydrophobicContact CG2-CE2 4.02Å |
| 1527 | L | 77 | Confident | 65.5 | Low | 9 Ų | 9 | 59.6 Ų | 59.6 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.1 | -177 | -59.6 | 175 | 0 | 0 | 0 | 111 | S1474 V1475 I1477 I1494 W1511 P1517 I1525 F1529 | S1474-L1527 CarbonylContact C-O 3.58Å; S1474-L1527 WeakPolarHBondContact CA-O 3.5Å; V1475-L1527 PolarHBondContact N-O 3.31Å; V1475-L1527 PolarHBondContact O-N 2.57Å; I1477-L1527 HydrophobicContact CD1-CD1 4.45Å; I1494-L1527 HydrophobicContact CD1-CD1 3.94Å; W1511-L1527 HydrophobicContact CZ3-CD2 4.19Å; P1517-L1527 HydrophobicContact CG-CD2 4.15Å; I1525-L1527 HydrophobicContact CD1-CD1 4.45Å; I1525-L1527 HydrophobicContact CD1-CG 4.42Å; L1527-F1529 HydrophobicContact CB-CE2 3.66Å; L1527-F1529 HydrophobicContact CB-CZ 3.83Å; L1527-F1529 HydrophobicContact CD1-CZ 4.46Å |
| 1528 | Y | 74.5 | Confident | 63.7 | Low | 121 Ų | 121 | 65.9 Ų | 65.9 | 48% | 0.475 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.9 | -173.1 | -63.5 | -85.9 | 0 | 0 | 0 | 113.7 | L1472 I1473 I1506 T1526 | L1472-Y1528 HydrophobicContact CD1-CD1 4.11Å; I1473-Y1528 CarbonylContact O-C 3.54Å; I1473-Y1528 WeakPolarHBondContact O-CA 3.36Å; I1506-Y1528 PolarHBondContact N-O 3.23Å; I1506-Y1528 VanDerWaalsContact N-O 3.17Å; T1526-Y1528 HydrophobicContact CG2-CE1 4.38Å; T1526-Y1528 HydrophobicContact CG2-CE2 4.02Å |
| 1529 | F | 78.9 | Confident | 61.5 | Low | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.018 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 143.3 | -177.5 | -52 | -84 | 0 | 0 | 0 | 111.6 | L1472 I1473 V1475 I1494 K1504 P1505 L1527 I1573 F1575 | L1472-F1529 CarbonylContact C-O 3.52Å; L1472-F1529 WeakPolarHBondContact CA-O 3.47Å; I1473-F1529 HydrophobicContact CB-CB 4.43Å; I1473-F1529 PolarHBondContact N-O 2.86Å; I1473-F1529 PolarHBondContact O-N 3.01Å; V1475-F1529 HydrophobicContact CG2-CD2 4.29Å; V1475-F1529 HydrophobicContact CG2-CE2 4.07Å; I1494-F1529 HydrophobicContact CD1-CE2 4.16Å; I1494-F1529 HydrophobicContact CD1-CZ 3.71Å; K1504-F1529 CarbonylContact O-C 3.55Å; K1504-F1529 VanDerWaalsContact O-CA 3.29Å; K1504-F1529 WeakPolarHBondContact O-CA 3.41Å; P1505-F1529 HydrophobicContact CB-CD1 4.19Å; P1505-F1529 HydrophobicContact CB-CE1 4.32Å; L1527-F1529 HydrophobicContact CB-CE2 3.66Å; L1527-F1529 HydrophobicContact CB-CZ 3.83Å; L1527-F1529 HydrophobicContact CD1-CZ 4.46Å; F1529-I1573 HydrophobicContact CD1-CD1 3.47Å; F1529-I1573 VanDerWaalsContact CD1-CD1 3.47Å; F1529-I1573 HydrophobicContact CE1-CD1 3.6Å; F1529-F1575 HydrophobicContact CE1-CZ 4.19Å; F1529-F1575 HydrophobicContact CZ-CZ 4.31Å |
| 1530 | K | 75.3 | Confident | 59 | Low | 56 Ų | 56 | 80.3 Ų | 80.3 | 24% | 0.243 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.7 | 165.5 | -174.2 | 169 | -175.1 | -174.3 | 0 | 109 | L1463 T1466 D1470 L1471 I1503 K1504 I1506 | L1463-K1530 HydrophobicContact CD1-CB 4.41Å; L1463-K1530 HydrophobicContact CD1-CD 3.87Å; L1463-K1530 HydrophobicContact CD1-CG 3.75Å; T1466-K1530 PolarHBondContact OG1-NZ 2.93Å; D1470-K1530 VanDerWaalsContact CB-CE 3.44Å; D1470-K1530 WeakPolarHBondContact OD2-CE 3.45Å; D1470-K1530 IonicContact OD2-NZ 3.29Å; D1470-K1530 PolarHBondContact OD2-NZ 2.91Å; L1471-K1530 CarbonylContact O-C 3.5Å; L1471-K1530 VanDerWaalsContact O-CA 3.3Å; L1471-K1530 WeakPolarHBondContact O-CA 3.32Å; I1503-K1530 CarbonylContact C-O 3.54Å; I1503-K1530 WeakPolarHBondContact CA-O 3.23Å; K1504-K1530 PolarHBondContact N-O 3.06Å; K1504-K1530 PolarHBondContact O-N 3.23Å; I1506-K1530 HydrophobicContact CD1-CB 4.01Å; I1506-K1530 HydrophobicContact CG1-CB 3.93Å |
| 1531 | A | 74.8 | Confident | 56.8 | Low | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L1471 I1473 W1501 S1502 I1503 I1666 | L1471-A1531 HydrophobicContact CB-CB 4.26Å; L1471-A1531 PolarHBondContact N-O 3.29Å; L1471-A1531 PolarHBondContact O-N 3.49Å; I1473-A1531 HydrophobicContact CD1-CB 3.75Å; I1473-A1531 HydrophobicContact CG1-CB 4.31Å; W1501-A1531 HydrophobicContact CE3-CB 4.13Å; S1502-A1531 CarbonylContact O-C 3.52Å; S1502-A1531 WeakPolarHBondContact O-CA 3.46Å; I1503-A1531 HydrophobicContact CG2-CB 3.91Å; A1531-I1666 HydrophobicContact CB-CD1 4.43Å |
| 1532 | S | 68.3 | Low | 54.9 | Low | 29 Ų | 29 | 88.3 Ų | 88.3 | 20% | 0.203 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.2 | -174.2 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | D1470 S1502 | D1470-S1532 VanDerWaalsContact OD1-CA 3.26Å; D1470-S1532 WeakPolarHBondContact OD1-CA 3.47Å; D1470-S1532 WeakPolarHBondContact OD1-CB 3.39Å; S1502-S1532 PolarHBondContact N-O 2.94Å; S1502-S1532 PolarHBondContact O-N 3.38Å; S1502-S1532 PolarHBondContact O-OG 3.17Å; S1502-S1532 PolarHBondContact OG-O 3.3Å; S1502-S1532 PolarHBondContact OG-OG 3.21Å |
| 1533 | P | 66.1 | Low | 53 | Low | 41 Ų | 41 | 93.9 Ų | 93.9 | 27% | 0.266 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 144.6 | -171.4 | 32.1 | -37.2 | 0 | 0 | 0 | 113.2 | N1469 Y1500 W1501 K1535 | N1469-P1533 HydrophobicContact CB-CG 3.76Å; Y1500-P1533 CarbonylContact O-C 3.58Å; Y1500-P1533 VanDerWaalsContact O-CA 3.25Å; Y1500-P1533 WeakPolarHBondContact O-CA 3.36Å; W1501-P1533 HydrophobicContact CE3-CB 4.41Å; W1501-P1533 HydrophobicContact CH2-CB 4.47Å; W1501-P1533 HydrophobicContact CZ3-CB 4.26Å; P1533-K1535 PolarHBondContact O-N 2.74Å |
| 1534 | I | 61 | Low | 51 | Low | 61 Ų | 61 | 99 Ų | 99 | 31% | 0.313 | 49% | 0.485 | S | S | . | . | trans | -84.2 | 96.7 | -177.8 | -59.3 | 171.4 | 0 | 0 | 0 | 108.9 | Y1500 N1536 | Y1500-I1534 PolarHBondContact O-N 3.25Å; I1534-N1536 PolarHBondContact O-N 2.85Å | ||
| 1535 | K | 49 | Very low | 48.6 | Very low | 161 Ų | 161 | 103.8 Ų | 103.8 | 70% | 0.7 | 51% | 0.505 | S | S | * | . | trans | -65.9 | 109.6 | 178.5 | -66.2 | 179.2 | -178.2 | 173.6 | 0 | 110.5 | D1467 P1533 | D1467-K1535 IonicContact OD2-NZ 3.42Å; D1467-K1535 PolarHBondContact OD2-NZ 3.19Å; P1533-K1535 PolarHBondContact O-N 2.74Å | ||
| 1536 | N | 41 | Very low | 46.4 | Very low | 103 Ų | 103 | 110.1 Ų | 110.1 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | trans | -104.6 | 131.8 | 170.8 | -67.8 | -34.4 | 0 | 0 | 0 | 109.5 | I1534 | I1534-N1536 PolarHBondContact O-N 2.85Š| ||
| 1537 | N | 32.7 | Very low | 43.9 | Very low | 166 Ų | 166 | 116.3 Ų | 116.3 | 89% | 0.888 | 57% | 0.565 | S | S | * | * | trans | -74 | 141.4 | 175.5 | -70.1 | 1 | 0 | 0 | 0 | 111.1 | ||||
| 1538 | L | 27.4 | Very low | 41.2 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 82% | 0.817 | 61% | 0.605 | S | S | * | * | trans | -98.2 | 140.9 | 167.4 | -71.1 | 78.8 | 0 | 0 | 0 | 109.5 | ||||
| 1539 | D | 24.8 | Very low | 38.8 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | trans | -170.9 | 153.3 | 150.1 | -99.6 | -33 | 0 | 0 | 0 | 109.6 | ||||
| 1540 | Y | 22.7 | Very low | 36.1 | Very low | 215 Ų | 215 | 128.1 Ų | 128.1 | 84% | 0.843 | 65% | 0.649 | S | S | * | * | trans | 65 | 120.2 | -175 | -57.8 | -87.8 | 0 | 0 | 0 | 115.6 | ||||
| 1541 | I | 22.1 | Very low | 33.6 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 70% | 0.697 | 68% | 0.675 | S | S | * | * | cis | 86.1 | 123.1 | 16.4 | -48.5 | -178.7 | 0 | 0 | 0 | 115.9 | ||||
| 1542 | E | 19.6 | Very low | 31.1 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | trans | 55.5 | 110.7 | 161.2 | -73.7 | 162.1 | -164.2 | 0 | 0 | 121.9 | ||||
| 1543 | I | 21.7 | Very low | 28.8 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | -132.3 | 144.1 | 122.6 | -62.4 | -172.3 | 0 | 0 | 0 | 108.6 | |||||
| 1544 | E | 20.7 | Very low | 26.7 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -53.9 | 172.6 | -162.5 | -60.2 | 171.9 | 121.8 | 0 | 0 | 120.4 | ||||
| 1545 | Q | 20.7 | Very low | 24.9 | Very low | 181 Ų | 181 | 155.9 Ų | 155.9 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -89.5 | 150.6 | 175.5 | -56.5 | 165.4 | -4.8 | 0 | 0 | 110.9 | ||||
| 1546 | N | 21.9 | Very low | 23.7 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -167.9 | 165.4 | 137.6 | -105.1 | -29.5 | 0 | 0 | 0 | 116.4 | ||||
| 1547 | E | 21.8 | Very low | 22.8 | Very low | 170 Ų | 170 | 156.9 Ų | 156.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -64.7 | 130.3 | -160.2 | -55.8 | 176.5 | 129.8 | 0 | 0 | 118.5 | ||||
| 1548 | M | 21.1 | Very low | 22.7 | Very low | 180 Ų | 180 | 155 Ų | 155 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | 18.6 | 109.3 | 111.8 | -170 | 167.7 | 175.4 | 0 | 0 | 119 | |||||
| 1549 | S | 22.7 | Very low | 22.9 | Very low | 108 Ų | 108 | 154.8 Ų | 154.8 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | 154.4 | 135.5 | 128.4 | 59.6 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1550 | S | 23.2 | Very low | 23.2 | Very low | 94 Ų | 94 | 153.8 Ų | 153.8 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | 41.2 | 141.7 | 144.6 | 66.5 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1551 | H | 22.4 | Very low | 23.4 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | 75.6 | 151.7 | 151.3 | -72.8 | -65.9 | 0 | 0 | 0 | 121 | ||||
| 1552 | T | 21.8 | Very low | 23.5 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 60.2 | 167.1 | 159.8 | 41.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1553 | S | 21.4 | Very low | 23.9 | Very low | 89 Ų | 89 | 149.8 Ų | 149.8 | 62% | 0.622 | 80% | 0.8 | S | S | * | * | -175 | 142.5 | -59.6 | 46.9 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1554 | E | 21.8 | Very low | 24.2 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | 70 | 145.7 | 162.5 | -66.8 | 172.7 | 160.9 | 0 | 0 | 119.8 | ||||
| 1555 | E | 21.6 | Very low | 24.7 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | 44 | 135.1 | 157.9 | -59.3 | -171.9 | 169.7 | 0 | 0 | 124.9 | ||||
| 1556 | G | 25 | Very low | 24.9 | Very low | 70 Ų | 70 | 139.9 Ų | 139.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 127 | 121.3 | 136.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1557 | Y | 21.9 | Very low | 25.3 | Very low | 216 Ų | 216 | 141.3 Ų | 141.3 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | 58.8 | 113.4 | 140.3 | -83.6 | -101 | 0 | 0 | 0 | 125.6 | ||||
| 1558 | N | 31.3 | Very low | 25.9 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | 50.3 | 123.4 | 122.5 | -62.2 | -1.9 | 0 | 0 | 0 | 126.3 | |||||
| 1559 | N | 31.4 | Very low | 26.9 | Very low | 153 Ų | 153 | 138 Ų | 138 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | 51.3 | 122.1 | 129.9 | -65.5 | -5.6 | 0 | 0 | 0 | 124.4 | |||||
| 1560 | S | 29.5 | Very low | 28.2 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | -170.9 | 166.1 | 112.1 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1561 | N | 28.6 | Very low | 29.6 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | trans | -104.1 | 155.1 | -169.7 | -76.5 | -20.9 | 0 | 0 | 0 | 114.3 | ||||
| 1562 | N | 24.1 | Very low | 31.6 | Very low | 166 Ų | 166 | 130 Ų | 130 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | trans | -161.5 | 141.6 | 142.6 | -107.7 | -32.7 | 0 | 0 | 0 | 112.6 | ||||
| 1563 | N | 27.7 | Very low | 33.6 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | trans | -119.4 | 144.1 | 179.2 | -85.3 | -14.8 | 0 | 0 | 0 | 111.2 | ||||
| 1564 | N | 28.3 | Very low | 35.7 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 86% | 0.861 | 67% | 0.667 | S | S | * | * | trans | -159.7 | 163.8 | 160.2 | -112 | -41 | 0 | 0 | 0 | 112.1 | ||||
| 1565 | T | 30.4 | Very low | 37.3 | Very low | 94 Ų | 94 | 118.3 Ų | 118.3 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | trans | -121.3 | 156.5 | -161.5 | 64.5 | 0 | 0 | 0 | 0 | 115.3 | M1589 | T1565-M1589 HydrophobicContact CG2-CE 4.32Å; T1565-M1589 HydrophobicContact CG2-SD 4.36Å | ||
| 1566 | G | 24.5 | Very low | 38.8 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 61% | 0.613 | S | S | * | * | trans | -156.9 | 101.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1567 | K | 30.4 | Very low | 39.3 | Very low | 187 Ų | 187 | 115.8 Ų | 115.8 | 81% | 0.813 | 60% | 0.604 | S | S | * | * | trans | 34.3 | 143.6 | 148.9 | -62.5 | 178.3 | -178.9 | 174.6 | 0 | 122.8 | Y1569 | K1567-Y1569 WeakPolarHBondContact O-CE2 3.27Š| ||
| 1568 | K | 34.9 | Very low | 39.7 | Very low | 180 Ų | 180 | 114 Ų | 114 | 78% | 0.783 | 60% | 0.603 | S | S | * | * | trans | -101.8 | 158.1 | 179.5 | -66.1 | -179.7 | 177 | 179.5 | 0 | 113.1 | ||||
| 1569 | Y | 43 | Very low | 39.4 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 40% | 0.396 | 61% | 0.611 | S | S | . | * | trans | -139.4 | 82 | -176.7 | -51.1 | -104.1 | 0 | 0 | 0 | 112.6 | R1499 K1567 | R1499-Y1569 HydrophobicContact CB-CD1 4.43Å; R1499-Y1569 HydrophobicContact CB-CG 4.46Å; R1499-Y1569 HydrophobicContact CG-CD2 4.42Å; R1499-Y1569 HydrophobicContact CG-CG 4.22Å; R1499-Y1569 WeakPolarHBondContact O-CD1 3.46Å; K1567-Y1569 WeakPolarHBondContact O-CE2 3.27Å | ||
| 1570 | I | 48.7 | Very low | 39.1 | Very low | 112 Ų | 112 | 118.2 Ų | 118.2 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | trans | -146.4 | 142.6 | 175.6 | -54.6 | -179.5 | 0 | 0 | 0 | 108.8 | I1497 V1572 | I1497-I1570 HydrophobicContact CG2-CG1 4.41Å; I1570-V1572 HydrophobicContact CG2-CG2 3.89Å | ||
| 1571 | S | 53.8 | Low | 38.8 | Very low | 20 Ų | 20 | 119.6 Ų | 119.6 | 14% | 0.14 | 61% | 0.605 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.9 | 168.5 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | A1495 C1496 S1502 I1503 | A1495-S1571 CarbonylContact C-O 3.58Å; C1496-S1571 PolarHBondContact N-O 3.3Å; C1496-S1571 PolarHBondContact O-N 3.05Å; S1502-S1571 WeakPolarHBondContact CA-OG 3.31Å; I1503-S1571 PolarHBondContact N-OG 3.26Å; I1503-S1571 VanDerWaalsContact N-OG 3.15Å |
| 1572 | V | 62.6 | Low | 38.4 | Very low | 70 Ų | 70 | 123.2 Ų | 123.2 | 42% | 0.424 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.2 | 138 | -168.7 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | Q1493 A1495 I1570 | Q1493-V1572 HydrophobicContact CG-CG1 4.14Å; Q1493-V1572 VanDerWaalsContact NE2-CG1 3.34Å; A1495-V1572 HydrophobicContact CB-CB 4.44Å; A1495-V1572 HydrophobicContact CB-CG1 4.17Å; A1495-V1572 HydrophobicContact CB-CG2 3.99Å; I1570-V1572 HydrophobicContact CG2-CG2 3.89Å |
| 1573 | I | 65.4 | Low | 38.2 | Very low | 18 Ų | 18 | 125.7 Ų | 125.7 | 9% | 0.092 | 61% | 0.607 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.7 | 173.3 | -55.8 | 171 | 0 | 0 | 0 | 107.9 | Q1493 I1494 I1503 P1505 F1529 F1575 | Q1493-I1573 WeakPolarHBondContact CA-O 3.28Å; Q1493-I1573 WeakPolarHBondContact CG-O 3.46Å; I1494-I1573 PolarHBondContact N-O 3.13Å; I1494-I1573 PolarHBondContact O-N 3.19Å; I1503-I1573 HydrophobicContact CD1-CD1 3.7Å; I1503-I1573 HydrophobicContact CD1-CG1 4.3Å; I1503-I1573 HydrophobicContact CG1-CD1 3.92Å; I1503-I1573 HydrophobicContact CG1-CG1 4.39Å; P1505-I1573 HydrophobicContact CG-CD1 4.49Å; F1529-I1573 HydrophobicContact CD1-CD1 3.47Å; F1529-I1573 VanDerWaalsContact CD1-CD1 3.47Å; F1529-I1573 HydrophobicContact CE1-CD1 3.6Å; I1573-F1575 HydrophobicContact CG2-CE1 4.2Å; I1573-F1575 HydrophobicContact CG2-CE2 3.95Å; I1573-F1575 HydrophobicContact CG2-CZ 3.74Å |
| 1574 | H | 64.5 | Low | 37.8 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 53% | 0.528 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112 | 142.4 | 172.8 | -72.3 | -88.9 | 0 | 0 | 0 | 109.8 | Q1493 | Q1493-H1574 PolarHBondContact NE2-CE1 2.95Å; Q1493-H1574 VanDerWaalsContact NE2-CE1 3.27Å; Q1493-H1574 PolarHBondContact OE1-CE1 3.49Å |
| 1575 | F | 55.8 | Low | 37.4 | Very low | 27 Ų | 27 | 127.2 Ų | 127.2 | 12% | 0.118 | 62% | 0.616 | C | S | . | * | trans | -114.6 | 93.2 | 173.1 | -58.4 | -83 | 0 | 0 | 0 | 107.8 | M1492 I1494 F1529 I1573 | M1492-F1575 PolarHBondContact O-N 2.99Å; I1494-F1575 HydrophobicContact CD1-CE2 4.21Å; I1494-F1575 HydrophobicContact CG1-CE2 4.27Å; F1529-F1575 HydrophobicContact CE1-CZ 4.19Å; F1529-F1575 HydrophobicContact CZ-CZ 4.31Å; I1573-F1575 HydrophobicContact CG2-CE1 4.2Å; I1573-F1575 HydrophobicContact CG2-CE2 3.95Å; I1573-F1575 HydrophobicContact CG2-CZ 3.74Å | ||
| 1576 | N | 52.5 | Low | 36.9 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 54% | 0.54 | 62% | 0.618 | S | S | . | * | trans | -156.2 | 141.4 | -175 | -108.8 | -12.1 | 0 | 0 | 0 | 111.2 | M1492 | M1492-N1576 WeakPolarHBondContact CE-OD1 3.35Š| ||
| 1577 | H | 35 | Very low | 36.7 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 52% | 0.519 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -75.4 | 153 | 170.4 | -96.7 | -69.9 | 0 | 0 | 0 | 112.4 | D1514 | D1514-H1577 PolarHBondContact O-CD2 2.79Å; D1514-H1577 PolarHBondContact O-NE2 2.83Å |
| 1578 | H | 31.8 | Very low | 36.3 | Very low | 180 Ų | 180 | 127.5 Ų | 127.5 | 83% | 0.833 | 61% | 0.613 | S | S | * | * | trans | 72.7 | 108.9 | 170.6 | -66.1 | -70.4 | 0 | 0 | 0 | 119.2 | ||||
| 1579 | H | 25.3 | Very low | 35.7 | Very low | 181 Ų | 181 | 124.1 Ų | 124.1 | 84% | 0.838 | 60% | 0.601 | S | S | * | * | trans | -72.5 | 143 | 157.6 | -77.2 | -67.4 | 0 | 0 | 0 | 112.2 | ||||
| 1580 | H | 24.5 | Very low | 34.7 | Very low | 184 Ų | 184 | 125.3 Ų | 125.3 | 85% | 0.852 | 62% | 0.615 | S | S | * | * | -148.3 | 162.5 | 124.4 | -101 | -68 | 0 | 0 | 0 | 109.5 | |||||
| 1581 | H | 22.7 | Very low | 33.4 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | trans | -70.4 | 148.5 | -162.6 | -61.3 | -63.8 | 0 | 0 | 0 | 115.2 | ||||
| 1582 | Y | 20.1 | Very low | 31.8 | Very low | 236 Ų | 236 | 130.1 Ų | 130.1 | 93% | 0.925 | 64% | 0.644 | S | S | * | * | -155.6 | 159.5 | 98.8 | -95.9 | -69.2 | 0 | 0 | 0 | 111.2 | |||||
| 1583 | Y | 20.5 | Very low | 29.8 | Very low | 218 Ų | 218 | 133 Ų | 133 | 86% | 0.855 | 66% | 0.657 | S | S | * | * | trans | -103.5 | 165.8 | -169.2 | -123.4 | -95.7 | 0 | 0 | 0 | 113.3 | ||||
| 1584 | C | 20.1 | Very low | 27.7 | Very low | 113 Ų | 113 | 138 Ų | 138 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | trans | -54.7 | 143.1 | -171.3 | -47.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1585 | Q | 19.9 | Very low | 25.7 | Very low | 199 Ų | 199 | 137 Ų | 137 | 93% | 0.93 | 70% | 0.695 | S | S | * | * | -151.1 | 160.5 | 129.6 | -121.7 | 177.4 | 12.3 | 0 | 0 | 112.2 | |||||
| 1586 | S | 19.7 | Very low | 24 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | trans | -123.5 | 139.1 | -178.5 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1587 | N | 20.4 | Very low | 22.7 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | trans | -127.7 | 156.1 | 156.6 | -95.3 | -33 | 0 | 0 | 0 | 110.3 | ||||
| 1588 | N | 21 | Very low | 22.1 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | trans | -127.2 | 167.8 | -167.4 | -89.1 | -15.5 | 0 | 0 | 0 | 110.2 | ||||
| 1589 | M | 21.6 | Very low | 21.7 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 53% | 0.532 | 75% | 0.745 | S | S | . | * | trans | 69.1 | 144.1 | 164.5 | -63.8 | -144.5 | 146.7 | 0 | 0 | 115.6 | T1565 | T1565-M1589 HydrophobicContact CG2-CE 4.32Å; T1565-M1589 HydrophobicContact CG2-SD 4.36Å | ||
| 1590 | D | 23.1 | Very low | 21.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | cis | 145.6 | 164.9 | -9.2 | -93.1 | -44.1 | 0 | 0 | 0 | 104.6 | ||||
| 1591 | N | 21.2 | Very low | 21.7 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | trans | 72.6 | 118.2 | 165.2 | -69.9 | -31 | 0 | 0 | 0 | 120.1 | ||||
| 1592 | T | 20.8 | Very low | 21.7 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | 77.2 | 162.7 | 133.4 | 62.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1593 | N | 21 | Very low | 21.8 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | 74.2 | 101.3 | 163 | -59.6 | -20.3 | 0 | 0 | 0 | 115.1 | ||||
| 1594 | T | 20.7 | Very low | 21.9 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | 98.2 | 166.7 | 67.8 | 53.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1595 | S | 22 | Very low | 22.2 | Very low | 94 Ų | 94 | 123.4 Ų | 123.4 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | trans | 60.7 | 142.1 | -168.9 | 70.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1596 | T | 20.7 | Very low | 22.3 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | cis | 61.4 | 158 | 37.2 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1597 | D | 23.7 | Very low | 22.4 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | trans | 69.7 | 94 | 169.5 | -49.4 | -60.5 | 0 | 0 | 0 | 115.6 | ||||
| 1598 | N | 22.5 | Very low | 22.9 | Very low | 153 Ų | 153 | 124 Ų | 124 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | trans | -4.4 | 122.4 | 145.3 | -56.4 | -21.3 | 0 | 0 | 0 | 115.6 | ||||
| 1599 | N | 23.7 | Very low | 23.1 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 68% | 0.683 | S | S | * | * | -128.3 | 105.9 | 127.5 | -89.3 | -50.5 | 0 | 0 | 0 | 109 | |||||
| 1600 | D | 24.4 | Very low | 23.2 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | trans | -55.4 | 146.9 | 143.3 | -101.5 | -57.2 | 0 | 0 | 0 | 108.3 | ||||
| 1601 | S | 25.6 | Very low | 23.1 | Very low | 57 Ų | 57 | 129.8 Ų | 129.8 | 40% | 0.399 | 70% | 0.696 | S | S | . | * | trans | 70.5 | 109.1 | -175.7 | 74.7 | 0 | 0 | 0 | 0 | 117.3 | S1604 | S1601-S1604 WeakPolarHBondContact CB-OG 3.28Š| ||
| 1602 | I | 23.6 | Very low | 23.2 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | S | Bend | -133.9 | 85.3 | 111.9 | -87.7 | 153.7 | 0 | 0 | 0 | 105.6 | |||
| 1603 | L | 21.4 | Very low | 23.4 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 61% | 0.613 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -163.4 | -1.4 | 165.3 | -121.2 | 174.8 | 0 | 0 | 0 | 112 | M1606 R1607 | L1603-M1606 HydrophobicContact CD2-CB 3.49Å; L1603-M1606 VanDerWaalsContact CD2-CB 3.49Å; L1603-M1606 HydrophobicContact CD2-CG 4.43Å; L1603-M1606 HydrophobicContact CD2-SD 4.16Å; L1603-M1606 CarbonylContact O-C 3.42Å; L1603-M1606 WeakPolarHBondContact O-CA 3.45Å; L1603-M1606 PolarHBondContact O-N 3.09Å; L1603-M1606 VanDerWaalsContact O-N 3.12Å; L1603-R1607 PolarHBondContact O-N 3.09Å |
| 1604 | S | 23.6 | Very low | 23.5 | Very low | 40 Ų | 40 | 132.7 Ų | 132.7 | 28% | 0.28 | 72% | 0.715 | S | S | . | * | -61.1 | 132.2 | 122.3 | 40.7 | 0 | 0 | 0 | 0 | 108.3 | S1601 | S1601-S1604 WeakPolarHBondContact CB-OG 3.28Š| |||
| 1605 | D | 24.9 | Very low | 23.6 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | S | Bend | cis | -101.3 | 8.7 | 18.3 | -64.1 | -45 | 0 | 0 | 0 | 116.8 | R1607 | D1605-R1607 PolarHBondContact O-N 2.82Š|
| 1606 | M | 22 | Very low | 24.4 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 12.9 | 168.3 | -131.5 | 179.5 | -155.4 | 0 | 0 | 113.5 | L1603 | L1603-M1606 HydrophobicContact CD2-CB 3.49Å; L1603-M1606 VanDerWaalsContact CD2-CB 3.49Å; L1603-M1606 HydrophobicContact CD2-CG 4.43Å; L1603-M1606 HydrophobicContact CD2-SD 4.16Å; L1603-M1606 CarbonylContact O-C 3.42Å; L1603-M1606 WeakPolarHBondContact O-CA 3.45Å; L1603-M1606 PolarHBondContact O-N 3.09Å; L1603-M1606 VanDerWaalsContact O-N 3.12Å |
| 1607 | R | 23 | Very low | 24.4 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -4.7 | -169.9 | -144.2 | 178.1 | -159.5 | 176.4 | 6.7 | 114.7 | L1603 D1605 | L1603-R1607 PolarHBondContact O-N 3.09Å; D1605-R1607 PolarHBondContact O-N 2.82Å |
| 1608 | N | 29.9 | Very low | 24.3 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -101.3 | 7.7 | -167.3 | -71.1 | -6 | 0 | 0 | 0 | 115.7 | ||
| 1609 | I | 24.5 | Very low | 24.2 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -120.3 | -19.7 | -174.8 | -65.9 | -179.6 | 0 | 0 | 0 | 114.5 | ||
| 1610 | I | 24 | Very low | 24 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 74% | 0.744 | 72% | 0.715 | S | S | * | * | trans | -128.9 | 54 | 175.6 | -40 | -178.1 | 0 | 0 | 0 | 112 | ||||
| 1611 | Q | 22.5 | Very low | 23.9 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | S | Bend | -90.4 | 149.9 | 123 | -73.6 | -173.5 | -22.1 | 0 | 0 | 107.2 | |||
| 1612 | N | 23.5 | Very low | 23.7 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | trans | 76.4 | 72.3 | 176 | -48.7 | -34.7 | 0 | 0 | 0 | 118 | ||||
| 1613 | S | 24.4 | Very low | 23.6 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | trans | -152.8 | 112 | 143.1 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1614 | N | 22.6 | Very low | 23.7 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | trans | -83.6 | 132 | 168.5 | -58.2 | -52.2 | 0 | 0 | 0 | 109.3 | ||||
| 1615 | L | 22 | Very low | 23.6 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | trans | -170.6 | 169.2 | 145.8 | -123.5 | 70.7 | 0 | 0 | 0 | 109.1 | ||||
| 1616 | P | 40.5 | Very low | 23.4 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | -124.9 | -179 | -108.3 | 40.5 | -24.2 | 0 | 0 | 0 | 115.1 | |||||
| 1617 | Q | 20.3 | Very low | 23.6 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -57 | 132.4 | 169.8 | -160 | 78.3 | -0.9 | 0 | 0 | 111.6 | ||
| 1618 | S | 21.4 | Very low | 23.6 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | trans | 68.3 | 131.7 | 167 | 82.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1619 | L | 20 | Very low | 23.1 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | cis | -141.7 | 166.5 | -0.8 | -80.1 | 109.1 | 0 | 0 | 0 | 110.7 | ||||
| 1620 | I | 20.8 | Very low | 23.1 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 67% | 0.672 | 76% | 0.757 | S | S | * | * | trans | 27.5 | 121.6 | 138.1 | -55.3 | 166.3 | 0 | 0 | 0 | 117.4 | ||||
| 1621 | N | 21.6 | Very low | 23 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | -167.4 | 133.1 | 116.8 | -101.7 | -46.7 | 0 | 0 | 0 | 115.5 | |||||
| 1622 | T | 21.1 | Very low | 23.1 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | 21.5 | 108.8 | 146.8 | 58.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1623 | C | 21.7 | Very low | 23.1 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 61.2 | -157.7 | 144.4 | -44.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1624 | N | 23.1 | Very low | 23.1 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | cis | -156.1 | 170.1 | 1.2 | -142.9 | 28.3 | 0 | 0 | 0 | 110.6 | ||||
| 1625 | D | 21.5 | Very low | 23.1 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 63% | 0.631 | 75% | 0.749 | S | S | * | * | trans | 66.8 | 127.9 | 151.4 | -52 | -33.2 | 0 | 0 | 0 | 123.7 | ||||
| 1626 | D | 21.7 | Very low | 23.1 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | 74.3 | 150.6 | 137.8 | -69.5 | -7.7 | 0 | 0 | 0 | 125.5 | ||||
| 1627 | N | 26.4 | Very low | 22.2 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | trans | 62.3 | 79.9 | 163.9 | -59.7 | -45.6 | 0 | 0 | 0 | 115.5 | ||||
| 1628 | M | 21.4 | Very low | 22.2 | Very low | 181 Ų | 181 | 130 Ų | 130 | 89% | 0.892 | 71% | 0.709 | S | S | * | * | cis | 56.9 | 82.7 | 46.7 | -76.7 | -73.3 | -170.3 | 0 | 0 | 114.6 | ||||
| 1629 | M | 20.1 | Very low | 22.2 | Very low | 184 Ų | 184 | 132 Ų | 132 | 91% | 0.906 | 71% | 0.706 | S | S | * | * | trans | -148.5 | 130.4 | 141.5 | -112.7 | -59.1 | 176.3 | 0 | 0 | 112.8 | ||||
| 1630 | M | 23.7 | Very low | 22.2 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | trans | -45.7 | 124.2 | -174.8 | -67.4 | -87.5 | -79.2 | 0 | 0 | 117.5 | I1632 | M1630-I1632 HydrophobicContact SD-CD1 3.81Å; M1630-I1632 HydrophobicContact SD-CG1 4.31Å | ||
| 1631 | M | 23.4 | Very low | 22.3 | Very low | 186 Ų | 186 | 131 Ų | 131 | 92% | 0.916 | 70% | 0.7 | S | S | * | * | trans | -161.3 | 50.8 | 151.4 | -99.5 | -59.7 | -169.5 | 0 | 0 | 109.5 | S1633 | M1631-S1633 PolarHBondContact O-N 3.3Š| ||
| 1632 | I | 24.7 | Very low | 22.2 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | trans | -64.1 | 118.5 | -160.5 | -53.7 | 174 | 0 | 0 | 0 | 112 | M1630 | M1630-I1632 HydrophobicContact SD-CD1 3.81Å; M1630-I1632 HydrophobicContact SD-CG1 4.31Å | ||
| 1633 | S | 22.4 | Very low | 22.3 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 59% | 0.587 | 69% | 0.686 | S | S | * | * | trans | -88.8 | 142.6 | -168.8 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | M1631 T1635 | M1631-S1633 PolarHBondContact O-N 3.3Å; S1633-T1635 PolarHBondContact O-N 3Å | ||
| 1634 | P | 24.9 | Very low | 22.4 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | trans | -88.6 | 56.7 | -163.8 | 36.3 | -38.8 | 0 | 0 | 0 | 114.4 | N1636 | P1634-N1636 PolarHBondContact O-N 2.76Å; P1634-N1636 VanDerWaalsContact O-N 3.12Å | ||
| 1635 | T | 23.1 | Very low | 22.3 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 73% | 0.73 | 67% | 0.669 | S | S | * | * | trans | -82.6 | 79.4 | 175.4 | 53 | 0 | 0 | 0 | 0 | 111.9 | S1633 | S1633-T1635 PolarHBondContact O-N 3Š| ||
| 1636 | N | 21.8 | Very low | 22.3 | Very low | 47 Ų | 47 | 129 Ų | 129 | 25% | 0.251 | 68% | 0.676 | S | S | . | * | trans | -136.1 | 95.6 | 178.2 | -81 | -58.3 | 0 | 0 | 0 | 115.1 | P1634 W1688 | P1634-N1636 PolarHBondContact O-N 2.76Å; P1634-N1636 VanDerWaalsContact O-N 3.12Å; N1636-W1688 VanDerWaalsContact CG-CB 3.44Å; N1636-W1688 VanDerWaalsContact ND2-CB 3.28Å; N1636-W1688 WeakPolarHBondContact ND2-CB 3.41Å; N1636-W1688 WeakPolarHBondContact OD1-CB 3.33Å | ||
| 1637 | L | 21 | Very low | 22.3 | Very low | 103 Ų | 103 | 131 Ų | 131 | 54% | 0.539 | 67% | 0.673 | S | S | . | * | 38.6 | 92.4 | 125.9 | -67.3 | 159.7 | 0 | 0 | 0 | 117.4 | F1639 | L1637-F1639 VanDerWaalsContact C-N 3.33Å; L1637-F1639 HydrophobicContact CB-CD2 3.93Å; L1637-F1639 HydrophobicContact CB-CE2 3.91Å; L1637-F1639 HydrophobicContact CD1-CE2 4.07Å; L1637-F1639 HydrophobicContact CD2-CE2 3.94Å; L1637-F1639 HydrophobicContact CD2-CZ 4.18Å; L1637-F1639 HydrophobicContact CG-CE2 4.18Å; L1637-F1639 PolarHBondContact O-N 2.88Å | |||
| 1638 | E | 19.8 | Very low | 22.1 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | trans | -68.9 | 81.2 | 162.7 | -62.3 | -178.4 | 128 | 0 | 0 | 111.3 | F1640 | E1638-F1640 HydrophobicContact CB-CE2 4.38Å; E1638-F1640 PolarHBondContact O-N 3.15Å | ||
| 1639 | F | 21.5 | Very low | 22.2 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | trans | -82.8 | 97.6 | 171 | -82.7 | -65 | 0 | 0 | 0 | 111.5 | L1637 C1641 | L1637-F1639 VanDerWaalsContact C-N 3.33Å; L1637-F1639 HydrophobicContact CB-CD2 3.93Å; L1637-F1639 HydrophobicContact CB-CE2 3.91Å; L1637-F1639 HydrophobicContact CD1-CE2 4.07Å; L1637-F1639 HydrophobicContact CD2-CE2 3.94Å; L1637-F1639 HydrophobicContact CD2-CZ 4.18Å; L1637-F1639 HydrophobicContact CG-CE2 4.18Å; L1637-F1639 PolarHBondContact O-N 2.88Å; F1639-C1641 PolarHBondContact O-N 3.35Å | ||
| 1640 | F | 20.7 | Very low | 22.3 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 77% | 0.772 | 66% | 0.657 | S | S | * | * | trans | -67.9 | 111.5 | 167.8 | -76.4 | -93.4 | 0 | 0 | 0 | 110.9 | E1638 | E1638-F1640 HydrophobicContact CB-CE2 4.38Å; E1638-F1640 PolarHBondContact O-N 3.15Å | ||
| 1641 | C | 21.7 | Very low | 22.4 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 52% | 0.52 | 63% | 0.634 | S | S | . | * | trans | -134.5 | 139.4 | 154.5 | -168.4 | 0 | 0 | 0 | 0 | 110.4 | S1452 F1639 | S1452-C1641 WeakPolarHBondContact CB-SG 3.28Å; S1452-C1641 PolarHBondContact OG-SG 2.58Å; F1639-C1641 PolarHBondContact O-N 3.35Å | ||
| 1642 | R | 20.3 | Very low | 22.4 | Very low | 204 Ų | 204 | 121.7 Ų | 121.7 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | trans | -94.6 | 103.8 | 171 | -69.2 | 179 | 177.5 | 158.8 | 2.1 | 108.4 | Y1338 | Y1338-R1642 PolarHBondContact OH-NH2 2.96Å; Y1338-R1642 VanDerWaalsContact OH-NH2 3.12Å | ||
| 1643 | S | 23.6 | Very low | 22.4 | Very low | 49 Ų | 49 | 120 Ų | 120 | 34% | 0.343 | 61% | 0.608 | S | S | . | * | trans | -65.9 | 133.7 | 157.8 | 41.5 | 0 | 0 | 0 | 0 | 109.2 | N1455 F1456 | N1455-S1643 WeakPolarHBondContact OD1-CB 3.27Å; F1456-S1643 PolarHBondContact O-OG 3.02Å | ||
| 1644 | G | 22.6 | Very low | 22.6 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | trans | -80.1 | 132.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1645 | I | 22.7 | Very low | 22.5 | Very low | 71 Ų | 71 | 119.7 Ų | 119.7 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | trans | -108.6 | 124.4 | 173.5 | -63 | 174.6 | 0 | 0 | 0 | 107.8 | E1457 | E1457-I1645 HydrophobicContact CG-CD1 4.28Å; E1457-I1645 HydrophobicContact CG-CG1 4.32Å; E1457-I1645 HydrophobicContact CG-CG2 4.28Å | ||
| 1646 | H | 21 | Very low | 22.6 | Very low | 169 Ų | 169 | 120 Ų | 120 | 78% | 0.782 | 59% | 0.588 | S | S | * | * | trans | -75.4 | 132.5 | 172.8 | -89.1 | -97.4 | 0 | 0 | 0 | 110.2 | Y1648 | H1646-Y1648 PolarHBondContact O-N 3.12Š| ||
| 1647 | W | 21.7 | Very low | 22.8 | Very low | 179 Ų | 179 | 122.9 Ų | 122.9 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | trans | -89.2 | 102.6 | 179.9 | -71.4 | 68.7 | 0 | 0 | 0 | 110.9 | H1649 | W1647-H1649 PolarHBondContact O-N 2.94Š| ||
| 1648 | Y | 21.6 | Very low | 23 | Very low | 230 Ų | 230 | 127.8 Ų | 127.8 | 90% | 0.902 | 63% | 0.629 | S | S | * | * | trans | -82.6 | 96.8 | 161.8 | -86.2 | -85 | 0 | 0 | 0 | 109.7 | H1646 | H1646-Y1648 PolarHBondContact O-N 3.12Š| ||
| 1649 | H | 23.6 | Very low | 23.3 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 51% | 0.514 | 63% | 0.631 | S | S | . | * | trans | -130 | 81.4 | 176.6 | -174.2 | -80.7 | 0 | 0 | 0 | 111.1 | W1647 | W1647-H1649 PolarHBondContact O-N 2.94Š| ||
| 1650 | Q | 22.5 | Very low | 23.6 | Very low | 173 Ų | 173 | 128 Ų | 128 | 81% | 0.808 | 64% | 0.641 | S | S | * | * | trans | -78.4 | 131.2 | 175.3 | -168.7 | 171.2 | 11 | 0 | 0 | 110.7 | ||||
| 1651 | S | 25.2 | Very low | 24 | Very low | 33 Ų | 33 | 124.5 Ų | 124.5 | 23% | 0.231 | 64% | 0.639 | C | S | . | * | trans | -152.6 | 140.5 | -166.1 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | N1713 | S1651-N1713 VanDerWaalsContact CB-ND2 3.27Å; S1651-N1713 WeakPolarHBondContact CB-ND2 2.94Å; S1651-N1713 VanDerWaalsContact CB-OD1 3.28Å; S1651-N1713 WeakPolarHBondContact CB-OD1 3.23Å; S1651-N1713 PolarHBondContact O-ND2 2.88Å; S1651-N1713 PolarHBondContact OG-ND2 3.37Å; S1651-N1713 PolarHBondContact OG-OD1 3.45Å | ||
| 1652 | N | 23.1 | Very low | 24.4 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 52% | 0.519 | 64% | 0.639 | S | S | . | * | trans | -150.4 | 106.7 | -172 | -124.3 | 80.1 | 0 | 0 | 0 | 114 | Y1712 N1713 | N1652-Y1712 VanDerWaalsContact C-CB 3.42Å; N1652-Y1712 HydrophobicContact CB-CD2 4.37Å; N1652-Y1712 WeakPolarHBondContact O-CB 3.37Å; N1652-Y1712 WeakPolarHBondContact O-CD2 3.41Å; N1652-Y1712 VanDerWaalsContact O-CG 3.28Å; N1652-N1713 PolarHBondContact N-ND2 3.35Å | ||
| 1653 | D | 26.6 | Very low | 25.5 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 58% | 0.583 | 63% | 0.627 | S | S | * | * | trans | 77.5 | 94.9 | 158.4 | -50.9 | -44.9 | 0 | 0 | 0 | 123.5 | Y1712 | D1653-Y1712 CarbonylContact C-O 3.55Š| ||
| 1654 | S | 25.9 | Very low | 26.6 | Very low | 71 Ų | 71 | 119.5 Ų | 119.5 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | trans | 71.4 | 116.2 | 133.1 | 69.8 | 0 | 0 | 0 | 0 | 124.8 | Y1712 N1713 | S1654-Y1712 CarbonylContact C-O 3.58Å; S1654-Y1712 VanDerWaalsContact CA-O 3.3Å; S1654-Y1712 WeakPolarHBondContact CA-O 3.46Å; S1654-Y1712 PolarHBondContact N-O 3.15Å; S1654-N1713 WeakPolarHBondContact CA-O 3.49Å; S1654-N1713 PolarHBondContact N-O 3.2Å; S1654-N1713 VanDerWaalsContact N-O 3.16Å | ||
| 1655 | I | 23.8 | Very low | 28.1 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 66% | 0.656 | 60% | 0.596 | S | S | * | * | 171.7 | -178.6 | 122.9 | -86.1 | 158.5 | 0 | 0 | 0 | 111.4 | Y1712 | I1655-Y1712 PolarHBondContact N-O 2.9Š| |||
| 1656 | K | 24.5 | Very low | 29.8 | Very low | 127 Ų | 127 | 115 Ų | 115 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | trans | -130.2 | 150.6 | -155.5 | -77 | 176.7 | 171.1 | 162.6 | 0 | 118.4 | L1715 D1716 | K1656-L1715 WeakPolarHBondContact CE-O 3.37Å; K1656-L1715 PolarHBondContact NZ-O 2.86Å; K1656-D1716 IonicContact NZ-OD2 3.41Å; K1656-D1716 PolarHBondContact NZ-OD2 3.46Å | ||
| 1657 | S | 24.9 | Very low | 31.6 | Very low | 107 Ų | 107 | 108 Ų | 108 | 75% | 0.748 | 55% | 0.547 | S | S | * | . | trans | 69.6 | 108.4 | 150.2 | 61.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 1658 | F | 25.6 | Very low | 33.6 | Very low | 206 Ų | 206 | 99.5 Ų | 99.5 | 90% | 0.904 | 52% | 0.515 | S | S | * | . | -166.8 | 174.4 | 109.7 | -116.1 | -87.5 | 0 | 0 | 0 | 110.1 | |||||
| 1659 | D | 26.5 | Very low | 35.4 | Very low | 151 Ų | 151 | 90.7 Ų | 90.7 | 81% | 0.807 | 48% | 0.484 | S | S | * | . | trans | -90.3 | -174.2 | -167.3 | -74.4 | -66.6 | 0 | 0 | 0 | 116.6 | ||||
| 1660 | D | 28.7 | Very low | 37.3 | Very low | 149 Ų | 149 | 85.4 Ų | 85.4 | 80% | 0.797 | 46% | 0.459 | S | S | * | . | trans | 79.2 | 57.7 | 173.3 | -68.4 | -21.8 | 0 | 0 | 0 | 120.1 | ||||
| 1661 | S | 27.7 | Very low | 39 | Very low | 104 Ų | 104 | 77.8 Ų | 77.8 | 73% | 0.727 | 43% | 0.425 | S | S | * | . | trans | -104.2 | 33.7 | 179.2 | 58.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1662 | S | 31.2 | Very low | 41.1 | Very low | 75 Ų | 75 | 77.4 Ų | 77.4 | 52% | 0.524 | 42% | 0.418 | S | S | . | . | trans | -91.9 | 6 | -163.1 | 56.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 1663 | F | 42.2 | Very low | 42.6 | Very low | 117 Ų | 117 | 75.2 Ų | 75.2 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | trans | -105 | 5.8 | -162.4 | -71.4 | -79.5 | 0 | 0 | 0 | 117.8 | Y1500 W1501 | Y1500-F1663 HydrophobicContact CD1-CD1 4.2Å; Y1500-F1663 HydrophobicContact CD2-CD1 4.2Å; Y1500-F1663 HydrophobicContact CE1-CD1 4.17Å; Y1500-F1663 HydrophobicContact CE1-CE1 4.19Å; Y1500-F1663 HydrophobicContact CE2-CD1 4.16Å; Y1500-F1663 HydrophobicContact CG-CD1 4.22Å; W1501-F1663 PolarHBondContact NE1-O 2.95Å | ||
| 1664 | L | 48.3 | Very low | 43.8 | Very low | 33 Ų | 33 | 70 Ų | 70 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | trans | -107.3 | 73.4 | -172.3 | -148.5 | 144.4 | 0 | 0 | 0 | 113.1 | L1471 W1501 H1697 L1698 | L1471-L1664 HydrophobicContact CD1-CD1 4.12Å; L1471-L1664 HydrophobicContact CD1-CG 4.46Å; W1501-L1664 HydrophobicContact CZ2-CD1 4.28Å; W1501-L1664 HydrophobicContact CZ2-CG 4.34Å; L1664-H1697 PolarHBondContact O-N 2.92Å; L1664-L1698 HydrophobicContact CD1-CD1 3.92Å; L1664-L1698 HydrophobicContact CD2-CD1 4.49Å; L1664-L1698 HydrophobicContact CD2-CG 4.41Å | ||
| 1665 | D | 52.2 | Low | 44.9 | Very low | 46 Ų | 46 | 68.3 Ų | 68.3 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 98.2 | 177.5 | -173.6 | 0.5 | 0 | 0 | 0 | 109.4 | S1498 N1667 R1694 N1696 | S1498-D1665 WeakPolarHBondContact CB-O 3.45Å; S1498-D1665 PolarHBondContact OG-O 3.22Å; D1665-N1667 PolarHBondContact OD1-ND2 3Å; D1665-R1694 VanDerWaalsContact CG-NH2 3.26Å; D1665-R1694 IonicContact OD1-CZ 2.65Å; D1665-R1694 IonicContact OD1-NE 2.69Å; D1665-R1694 PolarHBondContact OD1-NE 2.91Å; D1665-R1694 IonicContact OD1-NH2 3.69Å; D1665-R1694 PolarHBondContact OD1-NH2 3.1Å; D1665-R1694 VanDerWaalsContact OD1-NH2 3.14Å; D1665-R1694 IonicContact OD2-CZ 2.79Å; D1665-R1694 IonicContact OD2-NE 2.74Å; D1665-R1694 IonicContact OD2-NH2 3.3Å; D1665-R1694 PolarHBondContact OD2-NH2 3.33Å; D1665-N1696 PolarHBondContact OD1-OD1 2.96Å |
| 1666 | I | 59.4 | Low | 46 | Very low | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 97.4 | -174.7 | -61.5 | 179.3 | 0 | 0 | 0 | 108.8 | L1471 I1473 W1501 A1531 L1668 I1695 | L1471-I1666 HydrophobicContact CD1-CD1 3.83Å; I1473-I1666 HydrophobicContact CD1-CD1 4.24Å; I1473-I1666 HydrophobicContact CD1-CG2 3.94Å; W1501-I1666 HydrophobicContact CB-CD1 4.13Å; W1501-I1666 HydrophobicContact CB-CG1 4Å; W1501-I1666 HydrophobicContact CD2-CD1 3.79Å; W1501-I1666 HydrophobicContact CD2-CG1 4.24Å; W1501-I1666 HydrophobicContact CE3-CD1 4.26Å; W1501-I1666 HydrophobicContact CG-CD1 3.69Å; W1501-I1666 HydrophobicContact CG-CG1 3.66Å; A1531-I1666 HydrophobicContact CB-CD1 4.43Å; I1666-L1668 HydrophobicContact CG2-CD2 4.17Å; I1666-L1668 HydrophobicContact CG2-CG 4.43Å; I1666-I1695 HydrophobicContact CB-CB 4.17Å; I1666-I1695 PolarHBondContact N-O 3.49Å; I1666-I1695 PolarHBondContact O-N 3.1Å |
| 1667 | N | 58.3 | Low | 46.8 | Very low | 22 Ų | 22 | 63.4 Ų | 63.4 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119.8 | 178.4 | -68.8 | -84.8 | 0 | 0 | 0 | 109.8 | C1496 I1497 D1665 H1692 R1694 | C1496-N1667 CarbonylContact C-O 3.51Å; C1496-N1667 VanDerWaalsContact CA-O 3.28Å; C1496-N1667 WeakPolarHBondContact CA-O 3.23Å; I1497-N1667 HydrophobicContact CB-CB 4.29Å; I1497-N1667 PolarHBondContact N-O 3.35Å; D1665-N1667 PolarHBondContact OD1-ND2 3Å; N1667-H1692 PolarHBondContact OD1-CE1 3.34Å; N1667-H1692 VanDerWaalsContact OD1-CE1 3.24Å; N1667-R1694 WeakPolarHBondContact OD1-CD 3.49Å; N1667-R1694 WeakPolarHBondContact OD1-CG 3.44Å; N1667-R1694 PolarHBondContact OD1-NE 3.23Å |
| 1668 | L | 64.6 | Low | 47.4 | Very low | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.1 | 174.9 | -58.5 | -179.1 | 0 | 0 | 0 | 110.3 | I1473 V1475 I1494 A1495 C1496 I1503 I1666 H1692 L1693 I1695 | I1473-L1668 HydrophobicContact CG2-CD1 4.44Å; V1475-L1668 HydrophobicContact CG2-CD1 3.92Å; I1494-L1668 HydrophobicContact CG2-CD2 4.44Å; A1495-L1668 CarbonylContact O-C 3.5Å; A1495-L1668 WeakPolarHBondContact O-CA 3.31Å; C1496-L1668 HydrophobicContact CB-CD2 3.83Å; I1503-L1668 HydrophobicContact CD1-CD2 4.12Å; I1666-L1668 HydrophobicContact CG2-CD2 4.17Å; I1666-L1668 HydrophobicContact CG2-CG 4.43Å; L1668-H1692 CarbonylContact O-C 3.55Å; L1668-H1692 WeakPolarHBondContact O-CA 3.5Å; L1668-H1692 PolarHBondContact O-CD2 3.35Å; L1668-L1693 WeakPolarHBondContact CA-O 3.36Å; L1668-L1693 WeakPolarHBondContact CB-O 3.38Å; L1668-L1693 HydrophobicContact CD1-CD2 4.17Å; L1668-L1693 PolarHBondContact N-O 3.39Å; L1668-L1693 PolarHBondContact O-N 2.87Å; L1668-I1695 HydrophobicContact CD1-CD1 3.89Å |
| 1669 | L | 58.6 | Low | 47.7 | Very low | 45 Ų | 45 | 58.7 Ų | 58.7 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.5 | 169.7 | -174.3 | 66.7 | 0 | 0 | 0 | 108.9 | I1494 A1495 I1497 Q1690 H1692 | I1494-L1669 WeakPolarHBondContact CA-O 3.49Å; A1495-L1669 HydrophobicContact CB-CB 4.45Å; A1495-L1669 PolarHBondContact N-O 2.88Å; A1495-L1669 PolarHBondContact O-N 2.96Å; I1497-L1669 HydrophobicContact CD1-CB 4.08Å; I1497-L1669 HydrophobicContact CD1-CD2 4.31Å; L1669-Q1690 HydrophobicContact CD1-CB 4.22Å; L1669-H1692 HydrophobicContact CD1-CB 4.15Å |
| 1670 | I | 63.8 | Low | 47.7 | Very low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.8 | -175 | -52.9 | 174.3 | 0 | 0 | 0 | 108.7 | F1456 V1475 I1491 Q1493 I1494 Q1690 S1691 L1693 | F1456-I1670 HydrophobicContact CD1-CD1 3.81Å; F1456-I1670 HydrophobicContact CE1-CB 4.45Å; F1456-I1670 HydrophobicContact CE1-CD1 4.25Å; F1456-I1670 HydrophobicContact CE1-CG2 3.94Å; V1475-I1670 HydrophobicContact CG1-CD1 4.05Å; I1491-I1670 HydrophobicContact CD1-CG2 4.4Å; I1491-I1670 HydrophobicContact CG2-CG2 4.15Å; Q1493-I1670 WeakPolarHBondContact O-CA 3.46Å; I1494-I1670 HydrophobicContact CG1-CG1 4.26Å; I1494-I1670 HydrophobicContact CG1-CG2 4.18Å; I1670-Q1690 CarbonylContact O-C 3.47Å; I1670-Q1690 WeakPolarHBondContact O-CA 3.42Å; I1670-S1691 WeakPolarHBondContact CB-O 3.48Å; I1670-S1691 PolarHBondContact N-O 3.32Å; I1670-S1691 PolarHBondContact O-N 3.39Å; I1670-L1693 HydrophobicContact CD1-CB 4.18Å |
| 1671 | T | 58.5 | Low | 47.7 | Very low | 13 Ų | 13 | 57 Ų | 57 | 8% | 0.08 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.1 | 177.4 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | M1492 Q1493 Q1690 | M1492-T1671 PolarHBondContact N-O 3.22Å; Q1493-T1671 PolarHBondContact O-N 3.38Å; T1671-Q1690 HydrophobicContact CG2-CG 4.06Å |
| 1672 | W | 68.6 | Low | 47.8 | Very low | 24 Ų | 24 | 60.2 Ų | 60.2 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 161.9 | -174.4 | 54.9 | -101.2 | 0 | 0 | 0 | 113.2 | L1454 F1456 F1489 Q1490 I1491 I1687 W1688 G1689 S1691 | L1454-W1672 HydrophobicContact CD1-CD2 3.8Å; L1454-W1672 HydrophobicContact CD1-CE3 4.12Å; L1454-W1672 HydrophobicContact CD1-CG 4.3Å; L1454-W1672 HydrophobicContact CD1-CH2 4.21Å; L1454-W1672 HydrophobicContact CD1-CZ2 3.88Å; L1454-W1672 HydrophobicContact CD1-CZ3 4.33Å; F1456-W1672 AromaticContact CZ-CD1 3.52Å; F1456-W1672 HydrophobicContact CZ-CG 4.31Å; F1456-W1672 AromaticContact CZ-NE1 3.79Å; F1489-W1672 HydrophobicContact CD1-CD2 4.4Å; F1489-W1672 AromaticContact CD1-CE3 3.67Å; F1489-W1672 HydrophobicContact CD1-CE3 3.67Å; F1489-W1672 HydrophobicContact CD1-CZ3 4.03Å; F1489-W1672 AromaticContact CE1-CE3 3.76Å; F1489-W1672 HydrophobicContact CE1-CE3 3.76Å; F1489-W1672 HydrophobicContact CE1-CH2 4.35Å; F1489-W1672 AromaticContact CE1-CZ3 3.62Å; F1489-W1672 HydrophobicContact CE1-CZ3 3.62Å; Q1490-W1672 CarbonylContact O-C 3.51Å; Q1490-W1672 VanDerWaalsContact O-CA 3.24Å; Q1490-W1672 WeakPolarHBondContact O-CA 3.34Å; I1491-W1672 HydrophobicContact CD1-CB 3.98Å; W1672-I1687 HydrophobicContact CZ3-CG2 4.33Å; W1672-W1688 WeakPolarHBondContact O-CA 3.47Å; W1672-G1689 PolarHBondContact N-O 3.37Å; W1672-G1689 PolarHBondContact O-N 2.91Å; W1672-S1691 PolarHBondContact NE1-OG 2.96Å |
| 1673 | K | 56.3 | Low | 47.6 | Very low | 51 Ų | 51 | 62.9 Ų | 62.9 | 22% | 0.222 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 112 | -177.2 | 174.9 | -166.1 | 170.7 | -154.6 | 0 | 110.5 | F1489 Q1490 M1492 I1687 W1688 | F1489-K1673 CarbonylContact C-O 3.56Å; F1489-K1673 VanDerWaalsContact CA-O 3.32Å; F1489-K1673 WeakPolarHBondContact CA-O 3.43Å; Q1490-K1673 HydrophobicContact CB-CB 4.49Å; Q1490-K1673 PolarHBondContact N-O 3.17Å; Q1490-K1673 PolarHBondContact O-N 3.24Å; Q1490-K1673 VanDerWaalsContact OE1-NZ 3.11Å; M1492-K1673 HydrophobicContact CG-CB 4.24Å; M1492-K1673 HydrophobicContact SD-CB 4.39Å; M1492-K1673 HydrophobicContact SD-CD 4.45Å; K1673-I1687 CarbonylContact C-O 3.59Å; K1673-I1687 WeakPolarHBondContact CA-O 3.4Å; K1673-W1688 HydrophobicContact CB-CD2 3.87Å; K1673-W1688 HydrophobicContact CB-CE3 4.05Å; K1673-W1688 HydrophobicContact CB-CG 4.29Å; K1673-W1688 HydrophobicContact CB-CZ3 4.46Å; K1673-W1688 HydrophobicContact CD-CD2 4.37Å; K1673-W1688 HydrophobicContact CD-CH2 4.21Å; K1673-W1688 HydrophobicContact CD-CZ2 3.67Å; K1673-W1688 HydrophobicContact CG-CD2 3.94Å; K1673-W1688 HydrophobicContact CG-CG 4.23Å; K1673-W1688 HydrophobicContact CG-CZ2 4.16Å |
| 1674 | G | 50.6 | Low | 47.1 | Very low | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 151.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1488 S1686 I1687 | N1488-G1674 CarbonylContact O-C 3.59Å; N1488-G1674 VanDerWaalsContact O-CA 3.23Å; N1488-G1674 WeakPolarHBondContact O-CA 3.35Å; G1674-S1686 CarbonylContact O-C 3.39Å; G1674-S1686 WeakPolarHBondContact O-CA 3.42Å; G1674-S1686 VanDerWaalsContact O-CB 3.28Å; G1674-S1686 WeakPolarHBondContact O-CB 3.42Å; G1674-I1687 PolarHBondContact N-O 3.42Å; G1674-I1687 PolarHBondContact O-N 2.94Å |
| 1675 | S | 49.1 | Very low | 46.5 | Very low | 35 Ų | 35 | 68 Ų | 68 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 137.3 | 176.1 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | N1488 | N1488-S1675 PolarHBondContact N-O 2.95Å; N1488-S1675 PolarHBondContact O-N 3.32Å |
| 1676 | T | 47.7 | Very low | 45.8 | Very low | 33 Ų | 33 | 68 Ų | 68 | 20% | 0.202 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 136.5 | 178.8 | 49.9 | 0 | 0 | 0 | 0 | 112 | V1485 M1487 T1678 | V1485-T1676 HydrophobicContact CG1-CG2 3.71Å; M1487-T1676 HydrophobicContact CB-CG2 4.14Å; M1487-T1676 HydrophobicContact CG-CG2 3.88Å; M1487-T1676 HydrophobicContact SD-CG2 4.24Å; T1676-T1678 PolarHBondContact O-N 3.43Å |
| 1677 | E | 41.2 | Very low | 44.8 | Very low | 119 Ų | 119 | 72.3 Ų | 72.3 | 56% | 0.556 | 39% | 0.391 | S | S | * | . | trans | -90.8 | 90.3 | 174 | -87.2 | 169.3 | -173.2 | 0 | 0 | 111.1 | N1488 H1520 | N1488-E1677 PolarHBondContact ND2-OE1 3.46Å; N1488-E1677 PolarHBondContact ND2-OE2 3.43Å; H1520-E1677 IonicContact CE1-OE1 2.64Å; H1520-E1677 PolarHBondContact CE1-OE1 2.83Å; H1520-E1677 IonicContact ND1-OE1 3.46Å; H1520-E1677 IonicContact ND1-OE2 3.42Å | ||
| 1678 | T | 37.4 | Very low | 43.9 | Very low | 68 Ų | 68 | 74.9 Ų | 74.9 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | trans | -134.7 | 90.8 | 173.3 | 50.1 | 0 | 0 | 0 | 0 | 110.8 | T1676 L1680 | T1676-T1678 PolarHBondContact O-N 3.43Å; T1678-L1680 PolarHBondContact O-N 2.92Å | ||
| 1679 | T | 31.7 | Very low | 42.7 | Very low | 146 Ų | 146 | 74.9 Ų | 74.9 | 90% | 0.896 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 47.1 | -175.7 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1680 | L | 25.8 | Very low | 42 | Very low | 164 Ų | 164 | 75.4 Ų | 75.4 | 86% | 0.859 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -161.8 | 38.9 | 172.1 | -113.7 | 160.6 | 0 | 0 | 0 | 114.6 | T1678 | T1678-L1680 PolarHBondContact O-N 2.92Š|
| 1681 | T | 28.9 | Very low | 41.1 | Very low | 100 Ų | 100 | 76.5 Ų | 76.5 | 61% | 0.613 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -167.2 | 135.7 | 150.8 | 9.7 | 0 | 0 | 0 | 0 | 108.5 | L1683 | T1681-L1683 PolarHBondContact O-N 2.85Š|
| 1682 | N | 30.4 | Very low | 40.5 | Very low | 173 Ų | 173 | 80.7 Ų | 80.7 | 93% | 0.925 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -79 | 38.2 | -169.5 | -70.9 | -7.8 | 0 | 0 | 0 | 114.5 | ||
| 1683 | L | 25.9 | Very low | 39.6 | Very low | 131 Ų | 131 | 80.4 Ų | 80.4 | 69% | 0.686 | 43% | 0.426 | S | S | * | . | trans | -111.5 | 56.8 | 179.7 | -75.7 | 169.2 | 0 | 0 | 0 | 111.5 | T1681 Q1685 | T1681-L1683 PolarHBondContact O-N 2.85Å; L1683-Q1685 PolarHBondContact O-N 3.23Å | ||
| 1684 | N | 31.9 | Very low | 39.3 | Very low | 110 Ų | 110 | 84.1 Ų | 84.1 | 59% | 0.588 | 44% | 0.439 | S | S | * | . | trans | -70.1 | 70 | 171.7 | -76.6 | -9.5 | 0 | 0 | 0 | 111.2 | S1686 | N1684-S1686 PolarHBondContact O-N 3.12Š| ||
| 1685 | Q | 35.4 | Very low | 39.2 | Very low | 148 Ų | 148 | 85 Ų | 85 | 69% | 0.692 | 44% | 0.444 | S | S | * | . | trans | -70.6 | 94 | 174.4 | -70.2 | -168.1 | -7.9 | 0 | 0 | 110 | L1683 I1687 | L1683-Q1685 PolarHBondContact O-N 3.23Å; Q1685-I1687 PolarHBondContact O-N 3.12Å | ||
| 1686 | S | 38.3 | Very low | 39.2 | Very low | 45 Ų | 45 | 86.5 Ų | 86.5 | 32% | 0.315 | 45% | 0.449 | S | S | . | . | trans | -73 | 116.9 | 176.5 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | G1674 N1684 W1688 | G1674-S1686 CarbonylContact O-C 3.39Å; G1674-S1686 WeakPolarHBondContact O-CA 3.42Å; G1674-S1686 VanDerWaalsContact O-CB 3.28Å; G1674-S1686 WeakPolarHBondContact O-CB 3.42Å; N1684-S1686 PolarHBondContact O-N 3.12Å; S1686-W1688 VanDerWaalsContact O-CD1 3.3Å; S1686-W1688 PolarHBondContact OG-NE1 2.86Å | ||
| 1687 | I | 37.3 | Very low | 38.8 | Very low | 91 Ų | 91 | 89 Ų | 89 | 47% | 0.467 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 131.7 | 174 | -64.5 | 175.3 | 0 | 0 | 0 | 108.3 | M1487 W1672 K1673 G1674 Q1685 | M1487-I1687 HydrophobicContact CE-CB 4.47Å; M1487-I1687 HydrophobicContact CE-CD1 4.11Å; M1487-I1687 HydrophobicContact SD-CD1 3.93Å; W1672-I1687 HydrophobicContact CZ3-CG2 4.33Å; K1673-I1687 CarbonylContact C-O 3.59Å; K1673-I1687 WeakPolarHBondContact CA-O 3.4Å; G1674-I1687 PolarHBondContact N-O 3.42Å; G1674-I1687 PolarHBondContact O-N 2.94Å; Q1685-I1687 PolarHBondContact O-N 3.12Å |
| 1688 | W | 39.5 | Very low | 38.2 | Very low | 76 Ų | 76 | 87.6 Ų | 87.6 | 29% | 0.288 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 157.6 | 176.1 | -69 | 71.1 | 0 | 0 | 0 | 110.6 | M1492 N1636 W1672 K1673 S1686 | M1492-W1688 HydrophobicContact CB-CZ3 4.42Å; M1492-W1688 HydrophobicContact CE-CH2 4.38Å; M1492-W1688 HydrophobicContact CG-CE3 4.4Å; M1492-W1688 HydrophobicContact CG-CH2 4.31Å; M1492-W1688 HydrophobicContact CG-CZ3 3.76Å; N1636-W1688 VanDerWaalsContact CG-CB 3.44Å; N1636-W1688 VanDerWaalsContact ND2-CB 3.28Å; N1636-W1688 WeakPolarHBondContact ND2-CB 3.41Å; N1636-W1688 WeakPolarHBondContact OD1-CB 3.33Å; W1672-W1688 WeakPolarHBondContact O-CA 3.47Å; K1673-W1688 HydrophobicContact CB-CD2 3.87Å; K1673-W1688 HydrophobicContact CB-CE3 4.05Å; K1673-W1688 HydrophobicContact CB-CG 4.29Å; K1673-W1688 HydrophobicContact CB-CZ3 4.46Å; K1673-W1688 HydrophobicContact CD-CD2 4.37Å; K1673-W1688 HydrophobicContact CD-CH2 4.21Å; K1673-W1688 HydrophobicContact CD-CZ2 3.67Å; K1673-W1688 HydrophobicContact CG-CD2 3.94Å; K1673-W1688 HydrophobicContact CG-CG 4.23Å; K1673-W1688 HydrophobicContact CG-CZ2 4.16Å; S1686-W1688 VanDerWaalsContact O-CD1 3.3Å; S1686-W1688 PolarHBondContact OG-NE1 2.86Å |
| 1689 | G | 39.7 | Very low | 37.7 | Very low | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 171.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W1672 | W1672-G1689 PolarHBondContact N-O 3.37Å; W1672-G1689 PolarHBondContact O-N 2.91Å |
| 1690 | Q | 44 | Very low | 37.4 | Very low | 57 Ų | 57 | 86.3 Ų | 86.3 | 27% | 0.266 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143.7 | 173 | -64.4 | -175.1 | 10.3 | 0 | 0 | 109.8 | L1669 I1670 T1671 | L1669-Q1690 HydrophobicContact CD1-CB 4.22Å; I1670-Q1690 CarbonylContact O-C 3.47Å; I1670-Q1690 WeakPolarHBondContact O-CA 3.42Å; T1671-Q1690 HydrophobicContact CG2-CG 4.06Å |
| 1691 | S | 44.7 | Very low | 37.4 | Very low | 22 Ų | 22 | 84 Ų | 84 | 15% | 0.154 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125.4 | 176.5 | -64.2 | 0 | 0 | 0 | 0 | 109.6 | F1456 I1670 W1672 | F1456-S1691 VanDerWaalsContact CE2-CB 3.44Å; F1456-S1691 VanDerWaalsContact CE2-OG 3.25Å; F1456-S1691 WeakPolarHBondContact CE2-OG 3.28Å; I1670-S1691 WeakPolarHBondContact CB-O 3.48Å; I1670-S1691 PolarHBondContact N-O 3.32Å; I1670-S1691 PolarHBondContact O-N 3.39Å; W1672-S1691 PolarHBondContact NE1-OG 2.96Å |
| 1692 | H | 46.3 | Very low | 37.2 | Very low | 102 Ų | 102 | 84.4 Ų | 84.4 | 47% | 0.472 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 103.8 | -175 | -177 | -105.7 | 0 | 0 | 0 | 110 | N1667 L1668 L1669 | N1667-H1692 PolarHBondContact OD1-CE1 3.34Å; N1667-H1692 VanDerWaalsContact OD1-CE1 3.24Å; L1668-H1692 CarbonylContact O-C 3.55Å; L1668-H1692 WeakPolarHBondContact O-CA 3.5Å; L1668-H1692 PolarHBondContact O-CD2 3.35Å; L1669-H1692 HydrophobicContact CD1-CB 4.15Å |
| 1693 | L | 50.8 | Low | 36.9 | Very low | 17 Ų | 17 | 79.8 Ų | 79.8 | 9% | 0.089 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116 | -179.9 | -177.3 | 142.2 | 0 | 0 | 0 | 109.3 | F1456 A1458 L1668 I1670 I1695 | F1456-L1693 HydrophobicContact CB-CD1 3.75Å; A1458-L1693 HydrophobicContact CB-CD1 4.1Å; A1458-L1693 HydrophobicContact CB-CD2 3.54Å; A1458-L1693 HydrophobicContact CB-CG 4.48Å; L1668-L1693 WeakPolarHBondContact CA-O 3.36Å; L1668-L1693 WeakPolarHBondContact CB-O 3.38Å; L1668-L1693 HydrophobicContact CD1-CD2 4.17Å; L1668-L1693 PolarHBondContact N-O 3.39Å; L1668-L1693 PolarHBondContact O-N 2.87Å; I1670-L1693 HydrophobicContact CD1-CB 4.18Å; L1693-I1695 HydrophobicContact CD2-CD1 4.15Å; L1693-I1695 HydrophobicContact CD2-CG1 3.64Å |
| 1694 | R | 48 | Very low | 36.8 | Very low | 129 Ų | 129 | 77.2 Ų | 77.2 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 109 | -176.7 | -178.6 | 173.7 | -170.2 | 175.9 | 1.9 | 110.9 | D1665 N1667 N1696 | D1665-R1694 VanDerWaalsContact CG-NH2 3.26Å; D1665-R1694 IonicContact OD1-CZ 2.65Å; D1665-R1694 IonicContact OD1-NE 2.69Å; D1665-R1694 PolarHBondContact OD1-NE 2.91Å; D1665-R1694 IonicContact OD1-NH2 3.69Å; D1665-R1694 PolarHBondContact OD1-NH2 3.1Å; D1665-R1694 VanDerWaalsContact OD1-NH2 3.14Å; D1665-R1694 IonicContact OD2-CZ 2.79Å; D1665-R1694 IonicContact OD2-NE 2.74Å; D1665-R1694 IonicContact OD2-NH2 3.3Å; D1665-R1694 PolarHBondContact OD2-NH2 3.33Å; N1667-R1694 WeakPolarHBondContact OD1-CD 3.49Å; N1667-R1694 WeakPolarHBondContact OD1-CG 3.44Å; N1667-R1694 PolarHBondContact OD1-NE 3.23Å; R1694-N1696 WeakPolarHBondContact CD-ND2 3.13Å; R1694-N1696 WeakPolarHBondContact CD-OD1 3.29Å; R1694-N1696 WeakPolarHBondContact CG-OD1 3.41Å; R1694-N1696 PolarHBondContact NE-ND2 3.32Å; R1694-N1696 PolarHBondContact NE-OD1 3.48Å; R1694-N1696 PolarHBondContact O-N 3.28Å |
| 1695 | I | 50.1 | Low | 36.3 | Very low | 20 Ų | 20 | 75.6 Ų | 75.6 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 97.4 | 173.7 | -55.3 | 172.1 | 0 | 0 | 0 | 107.4 | A1458 A1460 I1473 I1666 L1668 L1693 | A1458-I1695 HydrophobicContact CB-CD1 4.04Å; A1458-I1695 HydrophobicContact CB-CG1 4.28Å; A1460-I1695 HydrophobicContact CB-CG2 4.14Å; I1473-I1695 HydrophobicContact CD1-CD1 4.17Å; I1473-I1695 HydrophobicContact CG1-CD1 4.4Å; I1473-I1695 HydrophobicContact CG2-CD1 3.52Å; I1666-I1695 HydrophobicContact CB-CB 4.17Å; I1666-I1695 PolarHBondContact N-O 3.49Å; I1666-I1695 PolarHBondContact O-N 3.1Å; L1668-I1695 HydrophobicContact CD1-CD1 3.89Å; L1693-I1695 HydrophobicContact CD2-CD1 4.15Å; L1693-I1695 HydrophobicContact CD2-CG1 3.64Å |
| 1696 | N | 47.7 | Very low | 35.6 | Very low | 66 Ų | 66 | 76.8 Ų | 76.8 | 35% | 0.353 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 137.1 | 176.7 | -82.5 | -21 | 0 | 0 | 0 | 110.6 | D1665 R1694 | D1665-N1696 PolarHBondContact OD1-OD1 2.96Å; R1694-N1696 WeakPolarHBondContact CD-ND2 3.13Å; R1694-N1696 WeakPolarHBondContact CD-OD1 3.29Å; R1694-N1696 WeakPolarHBondContact CG-OD1 3.41Å; R1694-N1696 PolarHBondContact NE-ND2 3.32Å; R1694-N1696 PolarHBondContact NE-OD1 3.48Å; R1694-N1696 PolarHBondContact O-N 3.28Å |
| 1697 | H | 39.7 | Very low | 34.8 | Very low | 84 Ų | 84 | 81.2 Ų | 81.2 | 39% | 0.389 | 42% | 0.416 | S | S | . | . | trans | 48.3 | 93.7 | 158.9 | -74.6 | -83.6 | 0 | 0 | 0 | 116.7 | L1664 N1699 | L1664-H1697 PolarHBondContact O-N 2.92Å; H1697-N1699 PolarHBondContact O-N 2.97Å | ||
| 1698 | L | 29.1 | Very low | 34.2 | Very low | 91 Ų | 91 | 85 Ų | 85 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | trans | -59.5 | 105.7 | 145 | -77.3 | 167.6 | 0 | 0 | 0 | 107.8 | L1664 S1700 | L1664-L1698 HydrophobicContact CD1-CD1 3.92Å; L1664-L1698 HydrophobicContact CD2-CD1 4.49Å; L1664-L1698 HydrophobicContact CD2-CG 4.41Å; L1698-S1700 PolarHBondContact O-N 3.36Å | ||
| 1699 | N | 27.2 | Very low | 33.7 | Very low | 103 Ų | 103 | 84.1 Ų | 84.1 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | trans | -79.3 | 113.4 | -177.9 | -80.7 | -39.6 | 0 | 0 | 0 | 110.6 | H1697 | H1697-N1699 PolarHBondContact O-N 2.97Š| ||
| 1700 | S | 25 | Very low | 33 | Very low | 83 Ų | 83 | 87.4 Ų | 87.4 | 58% | 0.58 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 73.7 | 139.8 | -174.4 | 77.8 | 0 | 0 | 0 | 0 | 115.8 | L1698 | L1698-S1700 PolarHBondContact O-N 3.36Š|
| 1701 | P | 26.3 | Very low | 32.4 | Very low | 117 Ų | 117 | 88.4 Ų | 88.4 | 76% | 0.76 | 45% | 0.451 | S | S | * | . | trans | -80.1 | 145.7 | -176.4 | 32.3 | -35.2 | 0 | 0 | 0 | 112.5 | Q1703 | P1701-Q1703 PolarHBondContact O-N 3.46Š| ||
| 1702 | V | 24.3 | Very low | 31.4 | Very low | 107 Ų | 107 | 92 Ų | 92 | 65% | 0.648 | 46% | 0.462 | S | S | * | . | trans | -68.8 | 125.9 | 170.5 | -152.1 | 0 | 0 | 0 | 0 | 108.8 | M1704 | V1702-M1704 PolarHBondContact O-N 3.42Š| ||
| 1703 | Q | 24.2 | Very low | 30.4 | Very low | 76 Ų | 76 | 88.5 Ų | 88.5 | 36% | 0.355 | 45% | 0.447 | S | S | . | . | trans | -76.5 | 27.4 | -178.2 | -154.7 | 171.2 | -17.4 | 0 | 0 | 113.6 | P1701 N1709 | P1701-Q1703 PolarHBondContact O-N 3.46Å; Q1703-N1709 WeakPolarHBondContact O-CA 3.5Å; Q1703-N1709 WeakPolarHBondContact O-CB 3.48Å; Q1703-N1709 PolarHBondContact O-OD1 3.18Å | ||
| 1704 | M | 23.7 | Very low | 29.1 | Very low | 77 Ų | 77 | 93.8 Ų | 93.8 | 38% | 0.379 | 47% | 0.474 | S | S | . | . | trans | 55.3 | 166.1 | 172.2 | -64.4 | -136.9 | 81.4 | 0 | 0 | 118.1 | I1468 V1702 N1709 N1710 | I1468-M1704 HydrophobicContact CG2-CE 4.39Å; I1468-M1704 HydrophobicContact CG2-SD 4.4Å; V1702-M1704 PolarHBondContact O-N 3.42Å; M1704-N1709 WeakPolarHBondContact O-CB 3.43Å; M1704-N1710 PolarHBondContact N-OD1 3.5Å; M1704-N1710 VanDerWaalsContact O-CA 3.28Å; M1704-N1710 WeakPolarHBondContact O-CA 3.38Å; M1704-N1710 WeakPolarHBondContact O-CB 3.46Å; M1704-N1710 PolarHBondContact O-OD1 3Å | ||
| 1705 | P | 20.8 | Very low | 28 | Very low | 76 Ų | 76 | 94.1 Ų | 94.1 | 49% | 0.494 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -57.9 | 159.7 | 171.5 | -26 | 36.8 | 0 | 0 | 0 | 113.3 | N1707 N1709 | P1705-N1707 PolarHBondContact O-N 2.96Å; P1705-N1709 WeakPolarHBondContact O-CB 3.41Å; P1705-N1709 PolarHBondContact O-ND2 3.18Å |
| 1706 | Y | 21.8 | Very low | 26.8 | Very low | 173 Ų | 173 | 97.8 Ų | 97.8 | 68% | 0.678 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -56.4 | 101.5 | -171.5 | -165.8 | -59.7 | 0 | 0 | 0 | 112.8 | Y1708 | Y1706-Y1708 AromaticContact CD1-CD1 2.13Å; Y1706-Y1708 HydrophobicContact CD1-CD1 2.13Å; Y1706-Y1708 AromaticContact CD1-CD2 2.36Å; Y1706-Y1708 HydrophobicContact CD1-CD2 2.36Å; Y1706-Y1708 AromaticContact CD1-CE1 2.13Å; Y1706-Y1708 HydrophobicContact CD1-CE1 2.13Å; Y1706-Y1708 AromaticContact CD1-CE2 2.36Å; Y1706-Y1708 HydrophobicContact CD1-CE2 2.36Å; Y1706-Y1708 AromaticContact CD1-CG 2.32Å; Y1706-Y1708 HydrophobicContact CD1-CG 2.32Å; Y1706-Y1708 AromaticContact CD1-CZ 2.31Å; Y1706-Y1708 AromaticContact CD2-CD1 2.35Å; Y1706-Y1708 HydrophobicContact CD2-CD1 2.35Å; Y1706-Y1708 AromaticContact CD2-CE1 2.36Å; Y1706-Y1708 HydrophobicContact CD2-CE1 2.36Å; Y1706-Y1708 AromaticContact CD2-CG 3.97Å; Y1706-Y1708 HydrophobicContact CD2-CG 3.97Å; Y1706-Y1708 AromaticContact CD2-CZ 3.98Å; Y1706-Y1708 AromaticContact CE1-CD1 2.13Å; Y1706-Y1708 HydrophobicContact CE1-CD1 2.13Å; Y1706-Y1708 AromaticContact CE1-CD2 2.36Å; Y1706-Y1708 HydrophobicContact CE1-CD2 2.36Å; Y1706-Y1708 AromaticContact CE1-CE1 2.13Å; Y1706-Y1708 HydrophobicContact CE1-CE1 2.13Å; Y1706-Y1708 AromaticContact CE1-CE2 2.36Å; Y1706-Y1708 HydrophobicContact CE1-CE2 2.36Å; Y1706-Y1708 AromaticContact CE1-CG 2.32Å; Y1706-Y1708 HydrophobicContact CE1-CG 2.32Å; Y1706-Y1708 AromaticContact CE1-CZ 2.31Å; Y1706-Y1708 AromaticContact CE2-CD1 2.36Å; Y1706-Y1708 HydrophobicContact CE2-CD1 2.36Å; Y1706-Y1708 AromaticContact CE2-CE1 2.36Å; Y1706-Y1708 HydrophobicContact CE2-CE1 2.36Å; Y1706-Y1708 AromaticContact CE2-CG 3.98Å; Y1706-Y1708 HydrophobicContact CE2-CG 3.98Å; Y1706-Y1708 AromaticContact CE2-CZ 3.98Å; Y1706-Y1708 AromaticContact CG-CD1 2.32Å; Y1706-Y1708 HydrophobicContact CG-CD1 2.32Å; Y1706-Y1708 AromaticContact CG-CD2 3.98Å; Y1706-Y1708 HydrophobicContact CG-CD2 3.98Å; Y1706-Y1708 AromaticContact CG-CE1 2.32Å; Y1706-Y1708 HydrophobicContact CG-CE1 2.32Å; Y1706-Y1708 AromaticContact CG-CE2 3.99Å; Y1706-Y1708 HydrophobicContact CG-CE2 3.99Å; Y1706-Y1708 AromaticContact CG-CG 3.36Å; Y1706-Y1708 HydrophobicContact CG-CG 3.36Å; Y1706-Y1708 AromaticContact CG-CZ 3.37Å; Y1706-Y1708 AromaticContact CZ-CD1 2.31Å; Y1706-Y1708 AromaticContact CZ-CD2 3.98Å; Y1706-Y1708 AromaticContact CZ-CE1 2.32Å; Y1706-Y1708 AromaticContact CZ-CE2 3.98Å; Y1706-Y1708 AromaticContact CZ-CG 3.36Å; Y1706-Y1708 AromaticContact CZ-CZ 3.37Å |
| 1707 | N | 22 | Very low | 25.6 | Very low | 138 Ų | 138 | 103 Ų | 103 | 74% | 0.738 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -163.6 | 50.4 | 151.6 | -158.4 | 20.5 | 0 | 0 | 0 | 111.6 | P1705 | P1705-N1707 PolarHBondContact O-N 2.96Š|
| 1708 | Y | 22.8 | Very low | 24.8 | Very low | 170 Ų | 170 | 106.3 Ų | 106.3 | 67% | 0.667 | 55% | 0.545 | S | S | * | . | S | Bend | cis | -160.4 | 97.4 | 4.1 | -101.4 | -75.5 | 0 | 0 | 0 | 106.6 | Y1706 | Y1706-Y1708 AromaticContact CD1-CD1 2.13Å; Y1706-Y1708 HydrophobicContact CD1-CD1 2.13Å; Y1706-Y1708 AromaticContact CD1-CD2 2.36Å; Y1706-Y1708 HydrophobicContact CD1-CD2 2.36Å; Y1706-Y1708 AromaticContact CD1-CE1 2.13Å; Y1706-Y1708 HydrophobicContact CD1-CE1 2.13Å; Y1706-Y1708 AromaticContact CD1-CE2 2.36Å; Y1706-Y1708 HydrophobicContact CD1-CE2 2.36Å; Y1706-Y1708 AromaticContact CD1-CG 2.32Å; Y1706-Y1708 HydrophobicContact CD1-CG 2.32Å; Y1706-Y1708 AromaticContact CD1-CZ 2.31Å; Y1706-Y1708 AromaticContact CD2-CD1 2.35Å; Y1706-Y1708 HydrophobicContact CD2-CD1 2.35Å; Y1706-Y1708 AromaticContact CD2-CE1 2.36Å; Y1706-Y1708 HydrophobicContact CD2-CE1 2.36Å; Y1706-Y1708 AromaticContact CD2-CG 3.97Å; Y1706-Y1708 HydrophobicContact CD2-CG 3.97Å; Y1706-Y1708 AromaticContact CD2-CZ 3.98Å; Y1706-Y1708 AromaticContact CE1-CD1 2.13Å; Y1706-Y1708 HydrophobicContact CE1-CD1 2.13Å; Y1706-Y1708 AromaticContact CE1-CD2 2.36Å; Y1706-Y1708 HydrophobicContact CE1-CD2 2.36Å; Y1706-Y1708 AromaticContact CE1-CE1 2.13Å; Y1706-Y1708 HydrophobicContact CE1-CE1 2.13Å; Y1706-Y1708 AromaticContact CE1-CE2 2.36Å; Y1706-Y1708 HydrophobicContact CE1-CE2 2.36Å; Y1706-Y1708 AromaticContact CE1-CG 2.32Å; Y1706-Y1708 HydrophobicContact CE1-CG 2.32Å; Y1706-Y1708 AromaticContact CE1-CZ 2.31Å; Y1706-Y1708 AromaticContact CE2-CD1 2.36Å; Y1706-Y1708 HydrophobicContact CE2-CD1 2.36Å; Y1706-Y1708 AromaticContact CE2-CE1 2.36Å; Y1706-Y1708 HydrophobicContact CE2-CE1 2.36Å; Y1706-Y1708 AromaticContact CE2-CG 3.98Å; Y1706-Y1708 HydrophobicContact CE2-CG 3.98Å; Y1706-Y1708 AromaticContact CE2-CZ 3.98Å; Y1706-Y1708 AromaticContact CG-CD1 2.32Å; Y1706-Y1708 HydrophobicContact CG-CD1 2.32Å; Y1706-Y1708 AromaticContact CG-CD2 3.98Å; Y1706-Y1708 HydrophobicContact CG-CD2 3.98Å; Y1706-Y1708 AromaticContact CG-CE1 2.32Å; Y1706-Y1708 HydrophobicContact CG-CE1 2.32Å; Y1706-Y1708 AromaticContact CG-CE2 3.99Å; Y1706-Y1708 HydrophobicContact CG-CE2 3.99Å; Y1706-Y1708 AromaticContact CG-CG 3.36Å; Y1706-Y1708 HydrophobicContact CG-CG 3.36Å; Y1706-Y1708 AromaticContact CG-CZ 3.37Å; Y1706-Y1708 AromaticContact CZ-CD1 2.31Å; Y1706-Y1708 AromaticContact CZ-CD2 3.98Å; Y1706-Y1708 AromaticContact CZ-CE1 2.32Å; Y1706-Y1708 AromaticContact CZ-CE2 3.98Å; Y1706-Y1708 AromaticContact CZ-CG 3.36Å; Y1706-Y1708 AromaticContact CZ-CZ 3.37Å |
| 1709 | N | 30.6 | Very low | 24.4 | Very low | 59 Ų | 59 | 108.7 Ų | 108.7 | 32% | 0.316 | 56% | 0.557 | S | S | . | * | cis | 70.4 | 141.6 | 11.5 | -47.3 | 0.5 | 0 | 0 | 0 | 113.6 | Q1703 M1704 P1705 | Q1703-N1709 WeakPolarHBondContact O-CA 3.5Å; Q1703-N1709 WeakPolarHBondContact O-CB 3.48Å; Q1703-N1709 PolarHBondContact O-OD1 3.18Å; M1704-N1709 WeakPolarHBondContact O-CB 3.43Å; P1705-N1709 WeakPolarHBondContact O-CB 3.41Å; P1705-N1709 PolarHBondContact O-ND2 3.18Å | ||
| 1710 | N | 24.7 | Very low | 24.2 | Very low | 69 Ų | 69 | 109.7 Ų | 109.7 | 37% | 0.369 | 57% | 0.572 | S | S | . | * | cis | -113.4 | -168.7 | 8.1 | -167.8 | 8.9 | 0 | 0 | 0 | 111.5 | M1704 | M1704-N1710 PolarHBondContact N-OD1 3.5Å; M1704-N1710 VanDerWaalsContact O-CA 3.28Å; M1704-N1710 WeakPolarHBondContact O-CA 3.38Å; M1704-N1710 WeakPolarHBondContact O-CB 3.46Å; M1704-N1710 PolarHBondContact O-OD1 3Å | ||
| 1711 | N | 30.3 | Very low | 24 | Very low | 78 Ų | 78 | 114 Ų | 114 | 42% | 0.417 | 58% | 0.58 | S | S | . | * | trans | 78.4 | 110.4 | 150.6 | -82.4 | -2 | 0 | 0 | 0 | 118.5 | ||||
| 1712 | Y | 24.2 | Very low | 23.7 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 38% | 0.38 | 59% | 0.585 | S | S | . | * | trans | 78.9 | 140.7 | 140.6 | -59.7 | -61.5 | 0 | 0 | 0 | 123.7 | N1652 D1653 S1654 I1655 | N1652-Y1712 VanDerWaalsContact C-CB 3.42Å; N1652-Y1712 HydrophobicContact CB-CD2 4.37Å; N1652-Y1712 WeakPolarHBondContact O-CB 3.37Å; N1652-Y1712 WeakPolarHBondContact O-CD2 3.41Å; N1652-Y1712 VanDerWaalsContact O-CG 3.28Å; D1653-Y1712 CarbonylContact C-O 3.55Å; S1654-Y1712 CarbonylContact C-O 3.58Å; S1654-Y1712 VanDerWaalsContact CA-O 3.3Å; S1654-Y1712 WeakPolarHBondContact CA-O 3.46Å; S1654-Y1712 PolarHBondContact N-O 3.15Å; I1655-Y1712 PolarHBondContact N-O 2.9Å | ||
| 1713 | N | 25.5 | Very low | 23.5 | Very low | 29 Ų | 29 | 122.6 Ų | 122.6 | 16% | 0.155 | 59% | 0.591 | C | S | . | * | trans | 71.2 | 114.4 | 131 | -70.9 | 18.2 | 0 | 0 | 0 | 127.6 | S1651 N1652 S1654 | S1651-N1713 VanDerWaalsContact CB-ND2 3.27Å; S1651-N1713 WeakPolarHBondContact CB-ND2 2.94Å; S1651-N1713 VanDerWaalsContact CB-OD1 3.28Å; S1651-N1713 WeakPolarHBondContact CB-OD1 3.23Å; S1651-N1713 PolarHBondContact O-ND2 2.88Å; S1651-N1713 PolarHBondContact OG-ND2 3.37Å; S1651-N1713 PolarHBondContact OG-OD1 3.45Å; N1652-N1713 PolarHBondContact N-ND2 3.35Å; S1654-N1713 WeakPolarHBondContact CA-O 3.49Å; S1654-N1713 PolarHBondContact N-O 3.2Å; S1654-N1713 VanDerWaalsContact N-O 3.16Å | ||
| 1714 | I | 23.6 | Very low | 23.3 | Very low | 127 Ų | 127 | 127 Ų | 127 | 65% | 0.651 | 61% | 0.609 | S | S | * | * | 49.5 | 114.1 | 115 | -51.3 | 167 | 0 | 0 | 0 | 120 | |||||
| 1715 | L | 24.3 | Very low | 23.2 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 71% | 0.712 | 63% | 0.627 | S | S | * | * | trans | 162.3 | 132.8 | 131.2 | -98.2 | 172.7 | 0 | 0 | 0 | 113.6 | K1656 | K1656-L1715 WeakPolarHBondContact CE-O 3.37Å; K1656-L1715 PolarHBondContact NZ-O 2.86Å | ||
| 1716 | D | 25.5 | Very low | 23.2 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | 179.6 | 135.1 | 128.4 | -105.1 | -34.2 | 0 | 0 | 0 | 114.8 | K1656 K1718 | K1656-D1716 IonicContact NZ-OD2 3.41Å; K1656-D1716 PolarHBondContact NZ-OD2 3.46Å; D1716-K1718 WeakPolarHBondContact OD2-CE 3.3Å; D1716-K1718 IonicContact OD2-NZ 3.14Å; D1716-K1718 PolarHBondContact OD2-NZ 2.96Å | |||
| 1717 | L | 22.4 | Very low | 23.1 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 92% | 0.916 | 65% | 0.651 | S | S | * | * | trans | -108.8 | 132 | 161.8 | -92.2 | 159.4 | 0 | 0 | 0 | 109.4 | ||||
| 1718 | K | 23.3 | Very low | 23 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 67% | 0.67 | 65% | 0.648 | S | S | * | * | trans | -146.4 | 141 | -176.4 | -82.4 | 176 | -169.9 | 155.9 | 0 | 111 | D1716 | D1716-K1718 WeakPolarHBondContact OD2-CE 3.3Å; D1716-K1718 IonicContact OD2-NZ 3.14Å; D1716-K1718 PolarHBondContact OD2-NZ 2.96Å | ||
| 1719 | L | 21.1 | Very low | 23 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | cis | -137.1 | 147.3 | 3.6 | -65.4 | 90.7 | 0 | 0 | 0 | 112.8 | ||||
| 1720 | S | 21.5 | Very low | 22.5 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 87% | 0.867 | 66% | 0.659 | S | S | * | * | trans | -150.4 | 169.1 | 134 | 71.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1721 | K | 20.5 | Very low | 22.5 | Very low | 173 Ų | 173 | 138 Ų | 138 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | trans | -141.1 | 137.8 | -167.5 | -61.5 | 175.7 | 178.8 | 174.7 | 0 | 113.2 | ||||
| 1722 | R | 19.9 | Very low | 22.1 | Very low | 226 Ų | 226 | 138.4 Ų | 138.4 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | 156.6 | 121.2 | 119.7 | -85.7 | 163.3 | 174.3 | -177.8 | -0.7 | 115.6 | |||||
| 1723 | K | 21.1 | Very low | 22 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 78% | 0.783 | 67% | 0.671 | S | S | * | * | trans | 64.3 | 146 | 141.9 | -58.8 | -175.7 | 175 | -174.2 | 0 | 119.3 | ||||
| 1724 | F | 19.7 | Very low | 21.8 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | cis | -168.2 | 144.8 | -15.3 | -119.8 | -45.8 | 0 | 0 | 0 | 113.3 | ||||
| 1725 | K | 21.3 | Very low | 21.8 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | trans | 70.6 | 119.1 | 149.6 | -77.1 | 175.5 | 178.1 | 178.3 | 0 | 123.8 | ||||
| 1726 | K | 20.7 | Very low | 21.6 | Very low | 197 Ų | 197 | 150.8 Ų | 150.8 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | trans | 55.2 | 140.8 | 130.8 | -64.5 | -171.1 | 174.7 | -170.5 | 0 | 119.8 | ||||
| 1727 | C | 20.5 | Very low | 21.4 | Very low | 121 Ų | 121 | 154 Ų | 154 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | cis | -138.3 | -106.2 | 41.6 | -147.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1728 | K | 19.7 | Very low | 21.4 | Very low | 156 Ų | 156 | 150.6 Ų | 150.6 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | -165.8 | 171.3 | -147.3 | -153.4 | -161.4 | 173.4 | -165.3 | 0 | 115.9 | ||||
| 1729 | H | 22.5 | Very low | 21.3 | Very low | 140 Ų | 140 | 151.3 Ų | 151.3 | 65% | 0.648 | 73% | 0.727 | S | S | * | * | trans | 82.8 | 137.1 | 173.6 | -66 | -66.1 | 0 | 0 | 0 | 116 | ||||
| 1730 | Q | 21.2 | Very low | 21.4 | Very low | 122 Ų | 122 | 149 Ų | 149 | 57% | 0.57 | 72% | 0.716 | S | S | * | * | cis | 106.5 | 118.5 | -1.4 | -160.9 | -167 | 16.3 | 0 | 0 | 117.7 | M832 | M832-Q1730 HydrophobicContact CE-CB 4.28Å; M832-Q1730 HydrophobicContact CE-CG 4.19Å; M832-Q1730 VanDerWaalsContact SD-CA 3.59Å; M832-Q1730 HydrophobicContact SD-CB 3.96Å; M832-Q1730 HydrophobicContact SD-CG 3.41Å; M832-Q1730 WeakPolarHBondContact SD-CG 3.43Å | ||
| 1731 | I | 22.9 | Very low | 21.6 | Very low | 84 Ų | 84 | 150.2 Ų | 150.2 | 43% | 0.431 | 71% | 0.713 | S | S | . | * | trans | 175.4 | 174.7 | 147.4 | -91.8 | 153.4 | 0 | 0 | 0 | 109.9 | M832 S833 Q834 | M832-I1731 CarbonylContact C-O 3.54Å; M832-I1731 VanDerWaalsContact C-O 3.31Å; M832-I1731 WeakPolarHBondContact CA-O 3.36Å; M832-I1731 WeakPolarHBondContact CB-O 3.29Å; M832-I1731 VanDerWaalsContact CG-O 3.26Å; M832-I1731 WeakPolarHBondContact CG-O 3.37Å; S833-I1731 CarbonylContact C-O 3.54Å; S833-I1731 PolarHBondContact N-O 2.86Å; Q834-I1731 VanDerWaalsContact CD-CG2 3.47Å; Q834-I1731 HydrophobicContact CG-CB 3.68Å; Q834-I1731 HydrophobicContact CG-CG2 3.64Å | ||
| 1732 | N | 22 | Very low | 21.7 | Very low | 87 Ų | 87 | 151.9 Ų | 151.9 | 47% | 0.465 | 72% | 0.72 | S | S | . | * | trans | -128.2 | 154.6 | -157.6 | -109 | -45.5 | 0 | 0 | 0 | 117.1 | S831 S833 | S831-N1732 WeakPolarHBondContact CB-OD1 3.37Å; S831-N1732 PolarHBondContact O-OD1 3.41Å; S833-N1732 VanDerWaalsContact OG-C 3.29Å | ||
| 1733 | N | 22.3 | Very low | 21.9 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 51% | 0.513 | 71% | 0.711 | S | S | . | * | trans | 45.6 | 135.5 | 150.7 | -64.5 | -33.8 | 0 | 0 | 0 | 123.3 | S831 S833 | S831-N1733 WeakPolarHBondContact CB-OD1 3.47Å; S831-N1733 PolarHBondContact OG-OD1 2.87Å; S833-N1733 PolarHBondContact OG-N 3.23Å; S833-N1733 VanDerWaalsContact OG-N 3.12Å | ||
| 1734 | K | 22.7 | Very low | 22.1 | Very low | 215 Ų | 215 | 144.1 Ų | 144.1 | 94% | 0.935 | 70% | 0.704 | S | S | * | * | trans | -158.8 | 164.1 | 135.8 | -111.2 | 160.6 | -172 | 177.2 | 0 | 113 | ||||
| 1735 | K | 22.2 | Very low | 22.4 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.835 | 70% | 0.695 | S | S | * | * | trans | -113.4 | 158.3 | -164.7 | -79.2 | -175.5 | 173.6 | -176.9 | 0 | 114.6 | ||||
| 1736 | L | 21 | Very low | 22.7 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | 14.3 | 133.4 | 155 | -76.5 | 81.1 | 0 | 0 | 0 | 119.9 | ||||
| 1737 | I | 20.8 | Very low | 23 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 85% | 0.851 | 68% | 0.679 | S | S | * | * | trans | -121 | 146.4 | 139.9 | -65.4 | 179.5 | 0 | 0 | 0 | 107.3 | ||||
| 1738 | N | 22 | Very low | 23.3 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 55% | 0.551 | 66% | 0.657 | S | S | * | * | trans | -115.2 | 126.5 | -167.3 | -166 | 11.8 | 0 | 0 | 0 | 110.7 | ||||
| 1739 | L | 22.4 | Very low | 23.7 | Very low | 168 Ų | 168 | 133 Ų | 133 | 88% | 0.88 | 66% | 0.659 | S | S | * | * | trans | -138.5 | 76 | -179.6 | -82.3 | 173.4 | 0 | 0 | 0 | 110.8 | ||||
| 1740 | N | 22.6 | Very low | 23.8 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 49% | 0.492 | 65% | 0.648 | S | S | . | * | trans | -82.6 | 166.9 | 167.9 | -71.8 | -19.7 | 0 | 0 | 0 | 111.2 | ||||
| 1741 | N | 24.6 | Very low | 24.1 | Very low | 150 Ų | 150 | 129.3 Ų | 129.3 | 80% | 0.802 | 64% | 0.644 | S | S | * | * | trans | 80.5 | 80 | 168.4 | -50.8 | -9.6 | 0 | 0 | 0 | 116.9 | ||||
| 1742 | F | 22.4 | Very low | 24.3 | Very low | 207 Ų | 207 | 129 Ų | 129 | 91% | 0.908 | 64% | 0.643 | S | S | * | * | trans | -121.9 | 112.4 | 142.6 | -89.2 | -82.3 | 0 | 0 | 0 | 109.1 | L1744 | F1742-L1744 PolarHBondContact O-N 3.02Š| ||
| 1743 | D | 25.1 | Very low | 24.5 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 65% | 0.652 | 65% | 0.645 | S | S | * | * | trans | -93.2 | 97.4 | -175.6 | -178.7 | 3.5 | 0 | 0 | 0 | 110.9 | S1745 | D1743-S1745 VanDerWaalsContact C-N 3.26Å; D1743-S1745 PolarHBondContact O-N 3.34Å; D1743-S1745 WeakPolarHBondContact OD1-CB 3.17Å; D1743-S1745 PolarHBondContact OD1-N 3.19Å; D1743-S1745 VanDerWaalsContact OD1-N 3.1Å; D1743-S1745 PolarHBondContact OD1-OG 3.09Å; D1743-S1745 PolarHBondContact OD2-OG 3.23Å | ||
| 1744 | L | 25.2 | Very low | 24.7 | Very low | 122 Ų | 122 | 133 Ų | 133 | 64% | 0.639 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -80 | 0.7 | -178.3 | -72.3 | 165.1 | 0 | 0 | 0 | 114 | F1742 N1746 L1747 | F1742-L1744 PolarHBondContact O-N 3.02Å; L1744-N1746 PolarHBondContact O-N 3.46Å; L1744-N1746 VanDerWaalsContact O-N 3.09Å; L1744-L1747 HydrophobicContact CD2-CD1 4.18Å |
| 1745 | S | 26.2 | Very low | 24.9 | Very low | 81 Ų | 81 | 127 Ų | 127 | 57% | 0.566 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -63.4 | -19 | -170.1 | 62.9 | 0 | 0 | 0 | 0 | 115.8 | D1743 | D1743-S1745 VanDerWaalsContact C-N 3.26Å; D1743-S1745 PolarHBondContact O-N 3.34Å; D1743-S1745 WeakPolarHBondContact OD1-CB 3.17Å; D1743-S1745 PolarHBondContact OD1-N 3.19Å; D1743-S1745 VanDerWaalsContact OD1-N 3.1Å; D1743-S1745 PolarHBondContact OD1-OG 3.09Å; D1743-S1745 PolarHBondContact OD2-OG 3.23Å |
| 1746 | N | 27.3 | Very low | 25 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 68% | 0.679 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -93.6 | 3.2 | -169.3 | -73 | -71.8 | 0 | 0 | 0 | 115.8 | L1744 | L1744-N1746 PolarHBondContact O-N 3.46Å; L1744-N1746 VanDerWaalsContact O-N 3.09Å |
| 1747 | L | 26.9 | Very low | 25.1 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 59% | 0.586 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -83.9 | -19.9 | -175.9 | -79.8 | 167.9 | 0 | 0 | 0 | 115.3 | L1744 | L1744-L1747 HydrophobicContact CD2-CD1 4.18Š|
| 1748 | I | 28 | Very low | 25.2 | Very low | 68 Ų | 68 | 124.9 Ų | 124.9 | 35% | 0.349 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.5 | 121.1 | -170 | -52.8 | -177.8 | 0 | 0 | 0 | 110.9 | I1750 I1823 I1929 | I1748-I1750 HydrophobicContact CG2-CG1 4.05Å; I1748-I1823 HydrophobicContact CG2-CG2 3.63Å; I1748-I1929 HydrophobicContact CD1-CD1 3.59Å |
| 1749 | R | 26.4 | Very low | 25.3 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 73% | 0.725 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.9 | 167.7 | -103.6 | -178 | 176.8 | 173.2 | 1.6 | 110.9 | Y1824 | R1749-Y1824 PolarHBondContact N-O 3.35Å; R1749-Y1824 VanDerWaalsContact N-O 3.13Å; R1749-Y1824 PolarHBondContact O-N 2.84Å |
| 1750 | I | 26.2 | Very low | 25.4 | Very low | 79 Ų | 79 | 128.1 Ų | 128.1 | 41% | 0.405 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107 | 128 | 179.1 | -53.9 | 177.5 | 0 | 0 | 0 | 108.2 | I1748 L1752 A1821 I1823 L1970 | I1748-I1750 HydrophobicContact CG2-CG1 4.05Å; I1750-L1752 HydrophobicContact CG2-CD2 4.3Å; I1750-A1821 HydrophobicContact CG2-CB 4.46Å; I1750-I1823 HydrophobicContact CG1-CG1 4.47Å; I1750-L1970 HydrophobicContact CD1-CD2 3.9Å |
| 1751 | Q | 26.5 | Very low | 25.5 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 50% | 0.495 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.5 | 173.3 | -167.7 | 175 | -5.3 | 0 | 0 | 110.3 | K1822 Y1824 | Q1751-K1822 PolarHBondContact N-O 2.85Å; Q1751-K1822 PolarHBondContact O-N 3Å; Q1751-Y1824 HydrophobicContact CB-CD2 4.29Å; Q1751-Y1824 HydrophobicContact CB-CE2 3.91Å |
| 1752 | L | 26.4 | Very low | 25.4 | Very low | 78 Ų | 78 | 130 Ų | 130 | 41% | 0.408 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.7 | 179 | -52.8 | 177.1 | 0 | 0 | 0 | 108.2 | I1750 Y1754 V1819 A1821 | I1750-L1752 HydrophobicContact CG2-CD2 4.3Å; L1752-Y1754 HydrophobicContact CB-CE2 4.31Å; L1752-V1819 HydrophobicContact CB-CG1 4.32Å; L1752-V1819 HydrophobicContact CD2-CG1 4.05Å; L1752-A1821 HydrophobicContact CD2-CB 3.84Å |
| 1753 | N | 28 | Very low | 25.6 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 50% | 0.503 | 64% | 0.636 | S | S | . | * | trans | -118.2 | 125.3 | 176.6 | -87.6 | -16.1 | 0 | 0 | 0 | 110.3 | ||||
| 1754 | Y | 25 | Very low | 25.5 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 129.3 | -175.2 | -61.7 | -92.6 | 0 | 0 | 0 | 111.2 | L1752 | L1752-Y1754 HydrophobicContact CB-CE2 4.31Š|
| 1755 | P | 27 | Very low | 25.5 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 57% | 0.571 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 152.4 | 171.4 | 31.7 | -33.9 | 0 | 0 | 0 | 111.4 | I1817 | P1755-I1817 HydrophobicContact CG-CG2 4.12Š|
| 1756 | K | 25 | Very low | 25.4 | Very low | 206 Ų | 206 | 134.5 Ų | 134.5 | 90% | 0.896 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 147.1 | 176.1 | -66.7 | -179.7 | 179.2 | 178.4 | 0 | 111.2 | ||
| 1757 | F | 23.8 | Very low | 25.2 | Very low | 159 Ų | 159 | 132 Ų | 132 | 70% | 0.697 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 137.6 | 178.8 | -59.4 | -95.3 | 0 | 0 | 0 | 112.6 | I1817 | F1757-I1817 HydrophobicContact CE1-CD1 4.15Š|
| 1758 | V | 22.6 | Very low | 24.9 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 58% | 0.582 | 65% | 0.65 | S | S | * | * | trans | -139.9 | 144.2 | 155.3 | -179.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 1759 | N | 23.5 | Very low | 24.7 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 75% | 0.754 | 66% | 0.659 | S | S | * | * | trans | -107.3 | 140.5 | -172.2 | -166.9 | 20 | 0 | 0 | 0 | 110.9 | ||||
| 1760 | Y | 23.5 | Very low | 24.5 | Very low | 198 Ų | 198 | 129.2 Ų | 129.2 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | trans | -123.3 | 105.6 | 173.8 | -85.5 | -85.7 | 0 | 0 | 0 | 109.7 | ||||
| 1761 | S | 25.2 | Very low | 24.3 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | trans | -106.8 | 112.4 | 171.9 | 53.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1762 | Q | 23.4 | Very low | 24.1 | Very low | 177 Ų | 177 | 133.4 Ų | 133.4 | 83% | 0.827 | 68% | 0.675 | S | S | * | * | trans | -137.2 | 98.4 | 171.3 | -157 | 166.6 | 6.7 | 0 | 0 | 108.1 | ||||
| 1763 | N | 25.5 | Very low | 23.9 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | trans | -72.1 | 142.5 | 173.2 | -69.6 | -16.4 | 0 | 0 | 0 | 108.7 | ||||
| 1764 | N | 23 | Very low | 23.6 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | trans | -138.5 | 143.4 | 155 | -136.3 | -3.9 | 0 | 0 | 0 | 108.2 | ||||
| 1765 | E | 26 | Very low | 23.5 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 77% | 0.771 | 70% | 0.704 | S | S | * | * | trans | -95.2 | 154.7 | -162 | -53.6 | 175.1 | 139.8 | 0 | 0 | 111.8 | ||||
| 1766 | N | 24.2 | Very low | 23.3 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | -178.3 | 162.7 | 109 | -112.6 | -64.7 | 0 | 0 | 0 | 118.5 | |||||
| 1767 | C | 22.6 | Very low | 23.2 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 51% | 0.514 | 71% | 0.706 | S | S | . | * | trans | 66.9 | 120.4 | 150.8 | -67.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1768 | N | 21.9 | Very low | 23.1 | Very low | 94 Ų | 94 | 134 Ų | 134 | 50% | 0.503 | 70% | 0.702 | S | S | . | * | -167.8 | 149.3 | 123.3 | -116.8 | 37.1 | 0 | 0 | 0 | 111.6 | P1388 T1389 | P1388-N1768 CarbonylContact C-O 3.55Å; P1388-N1768 WeakPolarHBondContact CA-O 3.26Å; T1389-N1768 WeakPolarHBondContact CA-O 3.46Å; T1389-N1768 PolarHBondContact N-O 3.4Å; T1389-N1768 VanDerWaalsContact N-O 3.12Å; T1389-N1768 PolarHBondContact OG1-N 2.63Å; T1389-N1768 PolarHBondContact OG1-O 2.97Å; T1389-N1768 VanDerWaalsContact OG1-O 3.07Å | |||
| 1769 | D | 22.7 | Very low | 23.3 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 54% | 0.535 | 71% | 0.711 | S | S | . | * | trans | 61.7 | 113.6 | 150.3 | -49.4 | -35.1 | 0 | 0 | 0 | 124.1 | P1388 | P1388-D1769 CarbonylContact C-O 3.58Å; P1388-D1769 VanDerWaalsContact CA-O 3.29Å; P1388-D1769 WeakPolarHBondContact CA-O 3.41Å | ||
| 1770 | I | 23.1 | Very low | 23.3 | Very low | 119 Ų | 119 | 137 Ų | 137 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | trans | 98 | 95 | 152.4 | -53.8 | 156.6 | 0 | 0 | 0 | 122.4 | S1387 P1388 | S1387-I1770 VanDerWaalsContact N-N 3.17Å; P1388-I1770 WeakPolarHBondContact CD-O 3.11Å | ||
| 1771 | N | 21.2 | Very low | 23.7 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 55% | 0.551 | 71% | 0.712 | S | S | * | * | trans | 51.1 | 121 | 133.3 | -50.9 | -13.6 | 0 | 0 | 0 | 125.3 | G1386 | G1386-N1771 PolarHBondContact O-N 3.02Å; G1386-N1771 VanDerWaalsContact O-N 3.14Å | ||
| 1772 | Q | 22.6 | Very low | 23.6 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | 159.4 | 145 | 108.6 | -83.1 | -164.7 | 23.4 | 0 | 0 | 115.5 | |||||
| 1773 | L | 22.2 | Very low | 23.9 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | trans | 53.5 | 106.5 | 152.4 | -78.8 | 161.2 | 0 | 0 | 0 | 123.8 | ||||
| 1774 | N | 21.2 | Very low | 23.8 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | 32 | 116.4 | 137.8 | -63.9 | 0.2 | 0 | 0 | 0 | 123.6 | ||||
| 1775 | N | 23.5 | Very low | 24 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | 72.5 | 108.4 | 132.7 | -64.3 | 5.7 | 0 | 0 | 0 | 123.3 | ||||
| 1776 | N | 22.2 | Very low | 24 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | 91.9 | 135.3 | 134.2 | -60.5 | 3.3 | 0 | 0 | 0 | 122.1 | ||||
| 1777 | H | 23.5 | Very low | 23.9 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.787 | 72% | 0.718 | S | S | * | * | trans | 91 | 105.2 | 158.2 | -70.9 | -68.3 | 0 | 0 | 0 | 122.7 | ||||
| 1778 | S | 22.6 | Very low | 24.2 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | trans | 61 | 116.8 | 130.6 | 58.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1779 | D | 25.3 | Very low | 24.5 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | 60 | 115.9 | 124 | -41 | -29.5 | 0 | 0 | 0 | 123.1 | |||||
| 1780 | N | 24.4 | Very low | 24.7 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | 174.2 | 163 | 110.1 | -98.5 | -69.6 | 0 | 0 | 0 | 116 | |||||
| 1781 | N | 31.1 | Very low | 24.9 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -109.9 | 162.4 | -178.4 | -75.2 | -44.9 | 0 | 0 | 0 | 114.1 | ||||
| 1782 | N | 24.1 | Very low | 25.3 | Very low | 164 Ų | 164 | 141 Ų | 141 | 88% | 0.877 | 75% | 0.748 | S | S | * | * | trans | -173 | 165.3 | 142.4 | -113.1 | -60.8 | 0 | 0 | 0 | 116.2 | ||||
| 1783 | T | 29.8 | Very low | 25.6 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -146.6 | 161.6 | -175.5 | 63.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1784 | S | 23.9 | Very low | 25.8 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | -167.9 | 173.8 | 165.9 | 56.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1785 | Y | 26.4 | Very low | 26.3 | Very low | 191 Ų | 191 | 139.5 Ų | 139.5 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | -138.7 | 164.4 | -168.1 | -68.6 | -98.2 | 0 | 0 | 0 | 114.4 | ||||
| 1786 | T | 26.1 | Very low | 26.6 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 91% | 0.908 | 72% | 0.723 | S | S | * | * | trans | -166.4 | 173.8 | 156.2 | 3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1787 | Y | 22.1 | Very low | 26.9 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | trans | -126.1 | 158.5 | -172 | -81.2 | -102.6 | 0 | 0 | 0 | 114.1 | ||||
| 1788 | S | 29.5 | Very low | 27 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 92% | 0.916 | 71% | 0.708 | S | S | * | * | trans | -149.9 | -179.4 | 169.6 | 71.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1789 | S | 26.5 | Very low | 27.3 | Very low | 69 Ų | 69 | 142 Ų | 142 | 48% | 0.483 | 72% | 0.716 | S | S | . | * | trans | -107.7 | 148.7 | -159.5 | 129.9 | 0 | 0 | 0 | 0 | 116.3 | K1791 D1792 | S1789-K1791 PolarHBondContact O-N 2.96Å; S1789-K1791 PolarHBondContact OG-N 3Å; S1789-D1792 PolarHBondContact OG-OD2 3.5Å | ||
| 1790 | L | 26.9 | Very low | 27.5 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -8.7 | -172.3 | -134.5 | 165 | 0 | 0 | 0 | 114.8 | F1794 | L1790-F1794 HydrophobicContact CD2-CD2 4.28Å; L1790-F1794 HydrophobicContact CD2-CE2 3.96Å |
| 1791 | K | 27.2 | Very low | 27.5 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 78% | 0.783 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -26.8 | -176.7 | -158.5 | 172.7 | -174.5 | 179.3 | 0 | 113 | S1789 | S1789-K1791 PolarHBondContact O-N 2.96Å; S1789-K1791 PolarHBondContact OG-N 3Å |
| 1792 | D | 31.3 | Very low | 27.1 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 53% | 0.529 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | -36 | -176.5 | -47 | -64.8 | 0 | 0 | 0 | 110.3 | S1789 F1794 K1795 | S1789-D1792 PolarHBondContact OG-OD2 3.5Å; D1792-F1794 VanDerWaalsContact C-N 3.26Å; D1792-F1794 PolarHBondContact O-N 3.36Å; D1792-F1794 VanDerWaalsContact O-N 3.11Å; D1792-K1795 PolarHBondContact O-N 3.43Å |
| 1793 | F | 28.7 | Very low | 27.3 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 54% | 0.539 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.6 | -39.4 | 175.4 | -177 | -94.6 | 0 | 0 | 0 | 114.7 | F1797 | F1793-F1797 HydrophobicContact CZ-CE2 4.39Š|
| 1794 | F | 26.4 | Very low | 27.2 | Very low | 125 Ų | 125 | 139 Ų | 139 | 55% | 0.548 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | -11.5 | -177.6 | -82.9 | -72 | 0 | 0 | 0 | 114.7 | L1790 D1792 | L1790-F1794 HydrophobicContact CD2-CD2 4.28Å; L1790-F1794 HydrophobicContact CD2-CE2 3.96Å; D1792-F1794 VanDerWaalsContact C-N 3.26Å; D1792-F1794 PolarHBondContact O-N 3.36Å; D1792-F1794 VanDerWaalsContact O-N 3.11Å |
| 1795 | K | 31.7 | Very low | 27.2 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 74% | 0.739 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -36.9 | -176.8 | -141.4 | -177.5 | -178.2 | -166.9 | 0 | 112.2 | D1792 | D1792-K1795 PolarHBondContact O-N 3.43Š|
| 1796 | D | 29.2 | Very low | 27.2 | Very low | 122 Ų | 122 | 136 Ų | 136 | 65% | 0.652 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -83.6 | -12.1 | -178.7 | -63.3 | -15.1 | 0 | 0 | 0 | 112.8 | Y1798 F1802 | D1796-Y1798 VanDerWaalsContact C-N 3.32Å; D1796-Y1798 PolarHBondContact O-N 2.85Å; D1796-F1802 WeakPolarHBondContact O-CE2 3.22Å |
| 1797 | F | 27.6 | Very low | 27.1 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 45% | 0.452 | 68% | 0.681 | S | S | . | * | G | 310 helix | trans | -74.9 | -13.5 | -177.1 | -139.1 | -86 | 0 | 0 | 0 | 115 | F1793 F1802 | F1793-F1797 HydrophobicContact CZ-CE2 4.39Å; F1797-F1802 HydrophobicContact CD2-CE1 4.25Å; F1797-F1802 HydrophobicContact CD2-CZ 4.09Å; F1797-F1802 HydrophobicContact CE2-CE1 4.17Å; F1797-F1802 HydrophobicContact CE2-CZ 4.46Å; F1797-F1802 HydrophobicContact CG-CZ 4.38Å |
| 1798 | Y | 25.2 | Very low | 27.4 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -102.5 | 1.7 | -169.4 | -87.9 | -82.5 | 0 | 0 | 0 | 115.9 | D1796 | D1796-Y1798 VanDerWaalsContact C-N 3.32Å; D1796-Y1798 PolarHBondContact O-N 2.85Å |
| 1799 | H | 28.9 | Very low | 27.3 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 78% | 0.782 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -126.2 | 100.6 | 170 | -69.2 | -66.8 | 0 | 0 | 0 | 110.2 | ||
| 1800 | S | 31.1 | Very low | 27.3 | Very low | 103 Ų | 103 | 128.9 Ų | 128.9 | 72% | 0.72 | 63% | 0.627 | S | S | * | * | trans | -67.9 | 152.6 | 176.9 | 78.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1801 | P | 23.8 | Very low | 27.3 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 62% | 0.62 | S | S | * | * | cis | -113 | 106.3 | 48.6 | 35 | -28.4 | 0 | 0 | 0 | 113.3 | N1803 | P1801-N1803 PolarHBondContact O-N 3.13Š| ||
| 1802 | F | 23.5 | Very low | 27.2 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 54% | 0.535 | 62% | 0.621 | S | S | . | * | trans | -73.2 | 127.7 | 176.4 | -95.5 | -99.7 | 0 | 0 | 0 | 111.5 | D1796 F1797 Q1804 | D1796-F1802 WeakPolarHBondContact O-CE2 3.22Å; F1797-F1802 HydrophobicContact CD2-CE1 4.25Å; F1797-F1802 HydrophobicContact CD2-CZ 4.09Å; F1797-F1802 HydrophobicContact CE2-CE1 4.17Å; F1797-F1802 HydrophobicContact CE2-CZ 4.46Å; F1797-F1802 HydrophobicContact CG-CZ 4.38Å; F1802-Q1804 PolarHBondContact O-N 2.92Å | ||
| 1803 | N | 27.6 | Very low | 26.9 | Very low | 139 Ų | 139 | 129 Ų | 129 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | trans | -72 | 126.8 | -174.7 | -70.4 | -46.6 | 0 | 0 | 0 | 112.7 | P1801 L1805 | P1801-N1803 PolarHBondContact O-N 3.13Å; N1803-L1805 PolarHBondContact O-N 3.25Å; N1803-L1805 VanDerWaalsContact O-N 3.15Å | ||
| 1804 | Q | 26.8 | Very low | 26.7 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 83% | 0.827 | 64% | 0.636 | S | S | * | * | S | Bend | 19.2 | 83.9 | 126.3 | -60.4 | 177.3 | -10.6 | 0 | 0 | 116.8 | F1802 | F1802-Q1804 PolarHBondContact O-N 2.92Š| |
| 1805 | L | 24.5 | Very low | 26.6 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 84% | 0.838 | 64% | 0.643 | S | S | * | * | -173.6 | 162.8 | 121.4 | -111.2 | 82.6 | 0 | 0 | 0 | 108.8 | N1803 | N1803-L1805 PolarHBondContact O-N 3.25Å; N1803-L1805 VanDerWaalsContact O-N 3.15Å | |||
| 1806 | P | 26 | Very low | 26.3 | Very low | 88 Ų | 88 | 125 Ų | 125 | 57% | 0.571 | 63% | 0.628 | S | S | * | * | trans | -98.1 | 155 | -144.1 | -5.5 | 27.2 | 0 | 0 | 0 | 116.5 | E1808 Q1809 | P1806-E1808 PolarHBondContact O-N 3.44Å; P1806-Q1809 PolarHBondContact O-N 2.77Å | ||
| 1807 | W | 23.7 | Very low | 26.1 | Very low | 193 Ų | 193 | 123.9 Ų | 123.9 | 73% | 0.731 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 9.1 | -174.7 | -162.1 | -99.7 | 0 | 0 | 0 | 116.5 | T1810 | W1807-T1810 PolarHBondContact O-OG1 2.96Å; W1807-T1810 VanDerWaalsContact O-OG1 3.06Å |
| 1808 | E | 28.3 | Very low | 26.1 | Very low | 39 Ų | 39 | 120.3 Ų | 120.3 | 18% | 0.182 | 61% | 0.609 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -104.7 | -3.6 | 174.4 | -67.6 | -135.4 | 166.4 | 0 | 0 | 114.3 | A1394 P1395 T1397 P1806 K1811 | A1394-E1808 HydrophobicContact CB-CB 4.23Å; P1395-E1808 WeakPolarHBondContact CD-OE2 3.3Å; P1395-E1808 WeakPolarHBondContact CG-OE2 3.41Å; P1395-E1808 WeakPolarHBondContact O-CG 3.46Å; T1397-E1808 PolarHBondContact N-OE1 3.35Å; T1397-E1808 PolarHBondContact OG1-OE1 3.06Å; P1806-E1808 PolarHBondContact O-N 3.44Å; E1808-K1811 HydrophobicContact CG-CD 4.23Å; E1808-K1811 IonicContact OE1-NZ 2.76Å; E1808-K1811 PolarHBondContact OE1-NZ 3.39Å; E1808-K1811 IonicContact OE2-NZ 3.97Å |
| 1809 | Q | 28.5 | Very low | 26.1 | Very low | 113 Ų | 113 | 113.5 Ų | 113.5 | 53% | 0.528 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.1 | -28.3 | 160.7 | -69.3 | -164.4 | 2.4 | 0 | 0 | 112.6 | A1394 P1806 K1811 K1812 | A1394-Q1809 HydrophobicContact CB-CG 4.35Å; P1806-Q1809 PolarHBondContact O-N 2.77Å; Q1809-K1811 PolarHBondContact O-N 2.78Å; Q1809-K1812 PolarHBondContact O-N 3.46Å |
| 1810 | T | 26.8 | Very low | 26.1 | Very low | 52 Ų | 52 | 107.9 Ų | 107.9 | 32% | 0.319 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -65.5 | -18.8 | 171 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | W1807 K1812 C1813 F1814 | W1807-T1810 PolarHBondContact O-OG1 2.96Å; W1807-T1810 VanDerWaalsContact O-OG1 3.06Å; T1810-K1812 PolarHBondContact O-N 2.93Å; T1810-C1813 PolarHBondContact O-N 3.31Å; T1810-F1814 PolarHBondContact O-N 3.03Å |
| 1811 | K | 26.5 | Very low | 26 | Very low | 112 Ų | 112 | 103.5 Ų | 103.5 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -63.4 | -10.8 | 167.7 | -80.8 | -179.2 | 176 | 171.4 | 0 | 114.4 | T1397 E1808 Q1809 | T1397-K1811 PolarHBondContact OG1-NZ 3.08Å; E1808-K1811 HydrophobicContact CG-CD 4.23Å; E1808-K1811 IonicContact OE1-NZ 2.76Å; E1808-K1811 PolarHBondContact OE1-NZ 3.39Å; E1808-K1811 IonicContact OE2-NZ 3.97Å; Q1809-K1811 PolarHBondContact O-N 2.78Å |
| 1812 | K | 26.2 | Very low | 26.3 | Very low | 188 Ų | 188 | 100.3 Ų | 100.3 | 82% | 0.817 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -95.3 | -6.9 | 166.5 | -78.9 | -171.5 | 173.5 | -178.1 | 0 | 114.5 | Q1809 T1810 | Q1809-K1812 PolarHBondContact O-N 3.46Å; T1810-K1812 PolarHBondContact O-N 2.93Å |
| 1813 | C | 24.2 | Very low | 26.7 | Very low | 105 Ų | 105 | 97.7 Ų | 97.7 | 71% | 0.709 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -9.4 | 175.8 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | T1810 | T1810-C1813 PolarHBondContact O-N 3.31Š|
| 1814 | F | 23.7 | Very low | 26.9 | Very low | 153 Ų | 153 | 96.4 Ų | 96.4 | 67% | 0.671 | 48% | 0.482 | S | S | * | . | trans | -113.6 | 69.4 | 169.4 | -72.8 | -80.2 | 0 | 0 | 0 | 111.3 | T1810 | T1810-F1814 PolarHBondContact O-N 3.03Š| ||
| 1815 | V | 25.1 | Very low | 27.1 | Very low | 113 Ų | 113 | 93 Ų | 93 | 69% | 0.685 | 47% | 0.469 | S | S | * | . | trans | -62.1 | 125.4 | 154 | 177.5 | 0 | 0 | 0 | 0 | 106.4 | I1817 | V1815-I1817 PolarHBondContact O-N 3.45Š| ||
| 1816 | P | 25.2 | Very low | 27.2 | Very low | 67 Ų | 67 | 88.4 Ų | 88.4 | 44% | 0.435 | 45% | 0.451 | S | S | . | . | trans | -66.7 | 107.5 | -176.9 | 26.9 | -34.3 | 0 | 0 | 0 | 109.6 | S1818 P1904 | P1816-S1818 PolarHBondContact O-N 3.21Å; P1816-P1904 HydrophobicContact CB-CG 3.61Å; P1816-P1904 HydrophobicContact CG-CG 3.77Å | ||
| 1817 | I | 25.7 | Very low | 27.3 | Very low | 99 Ų | 99 | 87.9 Ų | 87.9 | 51% | 0.508 | 45% | 0.449 | S | S | . | . | trans | -65.5 | 105.6 | -178.7 | -57.6 | 177.4 | 0 | 0 | 0 | 107.6 | P1755 F1757 V1815 V1819 | P1755-I1817 HydrophobicContact CG-CG2 4.12Å; F1757-I1817 HydrophobicContact CE1-CD1 4.15Å; V1815-I1817 PolarHBondContact O-N 3.45Å; I1817-V1819 PolarHBondContact O-N 3.31Å | ||
| 1818 | S | 26.8 | Very low | 27.2 | Very low | 28 Ų | 28 | 87.2 Ų | 87.2 | 20% | 0.196 | 46% | 0.456 | C | S | . | . | trans | -64.1 | 108.1 | -176.4 | 50.8 | 0 | 0 | 0 | 0 | 110 | P1816 Q1820 H1901 L1902 | P1816-S1818 PolarHBondContact O-N 3.21Å; S1818-Q1820 PolarHBondContact O-N 3.03Å; S1818-H1901 PolarHBondContact O-ND1 3.24Å; S1818-H1901 PolarHBondContact OG-ND1 2.9Å; S1818-L1902 WeakPolarHBondContact CA-O 3.47Å; S1818-L1902 VanDerWaalsContact CB-O 3.31Å; S1818-L1902 WeakPolarHBondContact CB-O 3.32Å | ||
| 1819 | V | 26.3 | Very low | 27.1 | Very low | 48 Ų | 48 | 96.8 Ų | 96.8 | 29% | 0.291 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 125.1 | -170.6 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | L1752 I1817 A1821 L1902 | L1752-V1819 HydrophobicContact CB-CG1 4.32Å; L1752-V1819 HydrophobicContact CD2-CG1 4.05Å; I1817-V1819 PolarHBondContact O-N 3.31Å; V1819-A1821 PolarHBondContact O-N 2.94Å; V1819-A1821 VanDerWaalsContact O-N 3.15Å; V1819-L1902 PolarHBondContact N-O 3.12Å; V1819-L1902 PolarHBondContact O-N 2.84Å |
| 1820 | Q | 28.5 | Very low | 27 | Very low | 51 Ų | 51 | 96.3 Ų | 96.3 | 24% | 0.238 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 99.6 | 166.4 | -76.3 | -153.6 | -20.8 | 0 | 0 | 109.3 | S1818 E1899 H1901 | S1818-Q1820 PolarHBondContact O-N 3.03Å; Q1820-E1899 PolarHBondContact NE2-OE2 2.85Å; Q1820-E1899 PolarHBondContact OE1-OE2 3.14Å; Q1820-H1901 VanDerWaalsContact CG-CE1 3.48Å; Q1820-H1901 WeakPolarHBondContact CG-CE1 3.23Å; Q1820-H1901 PolarHBondContact NE2-NE2 2.66Å |
| 1821 | A | 28.8 | Very low | 26.8 | Very low | 10 Ų | 10 | 101.9 Ų | 101.9 | 8% | 0.083 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 124.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | I1750 L1752 V1819 F1900 L1902 | I1750-A1821 HydrophobicContact CG2-CB 4.46Å; L1752-A1821 HydrophobicContact CD2-CB 3.84Å; V1819-A1821 PolarHBondContact O-N 2.94Å; V1819-A1821 VanDerWaalsContact O-N 3.15Å; A1821-F1900 PolarHBondContact N-O 3.29Å; A1821-L1902 HydrophobicContact CB-CD1 4.4Å |
| 1822 | K | 30.6 | Very low | 26.6 | Very low | 50 Ų | 50 | 104.1 Ų | 104.1 | 22% | 0.217 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 113.4 | 172.8 | -62.4 | -169.7 | -169.9 | -163.4 | 0 | 108.4 | Q1751 Y1824 E1899 | Q1751-K1822 PolarHBondContact N-O 2.85Å; Q1751-K1822 PolarHBondContact O-N 3Å; K1822-Y1824 HydrophobicContact CB-CD2 4.34Å; K1822-Y1824 HydrophobicContact CB-CE2 3.55Å; K1822-Y1824 VanDerWaalsContact O-CD2 3.3Å; K1822-Y1824 WeakPolarHBondContact O-CD2 3.33Å; K1822-E1899 VanDerWaalsContact CE-OE1 3.25Å; K1822-E1899 WeakPolarHBondContact CE-OE1 3.42Å; K1822-E1899 VanDerWaalsContact NZ-CD 3.35Å; K1822-E1899 IonicContact NZ-OE1 3.54Å; K1822-E1899 PolarHBondContact NZ-OE1 3.01Å; K1822-E1899 IonicContact NZ-OE2 3.58Å |
| 1823 | I | 30.8 | Very low | 26.4 | Very low | 66 Ų | 66 | 100.8 Ų | 100.8 | 34% | 0.338 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117.6 | 178.5 | -53.4 | -179.5 | 0 | 0 | 0 | 107.2 | I1748 I1750 F1900 | I1748-I1823 HydrophobicContact CG2-CG2 3.63Å; I1750-I1823 HydrophobicContact CG1-CG1 4.47Å; I1823-F1900 HydrophobicContact CD1-CD2 4.23Å; I1823-F1900 HydrophobicContact CD1-CE2 3.98Å |
| 1824 | Y | 32.2 | Very low | 26.3 | Very low | 112 Ų | 112 | 104.7 Ų | 104.7 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.1 | 177.7 | -65.6 | -98.1 | 0 | 0 | 0 | 109 | R1749 Q1751 K1822 S1826 | R1749-Y1824 PolarHBondContact N-O 3.35Å; R1749-Y1824 VanDerWaalsContact N-O 3.13Å; R1749-Y1824 PolarHBondContact O-N 2.84Å; Q1751-Y1824 HydrophobicContact CB-CD2 4.29Å; Q1751-Y1824 HydrophobicContact CB-CE2 3.91Å; K1822-Y1824 HydrophobicContact CB-CD2 4.34Å; K1822-Y1824 HydrophobicContact CB-CE2 3.55Å; K1822-Y1824 VanDerWaalsContact O-CD2 3.3Å; K1822-Y1824 WeakPolarHBondContact O-CD2 3.33Å; Y1824-S1826 PolarHBondContact O-N 2.96Å |
| 1825 | N | 31.1 | Very low | 26.2 | Very low | 105 Ų | 105 | 104 Ų | 104 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 120.6 | 162.9 | 173.9 | 11.3 | 0 | 0 | 0 | 108.3 | S1827 | N1825-S1827 PolarHBondContact ND2-OG 2.83Å; N1825-S1827 WeakPolarHBondContact OD1-CB 3.47Å; N1825-S1827 PolarHBondContact OD1-N 3.49Å; N1825-S1827 PolarHBondContact OD1-OG 2.97Å |
| 1826 | S | 25.8 | Very low | 26 | Very low | 65 Ų | 65 | 105.3 Ų | 105.3 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | trans | -97.3 | 26.2 | 179.5 | 45.1 | 0 | 0 | 0 | 0 | 114.3 | Y1824 | Y1824-S1826 PolarHBondContact O-N 2.96Š| ||
| 1827 | S | 27.7 | Very low | 26 | Very low | 77 Ų | 77 | 109.6 Ų | 109.6 | 54% | 0.538 | 56% | 0.564 | S | S | . | * | trans | -70 | 129.7 | 163.9 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | N1825 W1829 | N1825-S1827 PolarHBondContact ND2-OG 2.83Å; N1825-S1827 WeakPolarHBondContact OD1-CB 3.47Å; N1825-S1827 PolarHBondContact OD1-N 3.49Å; N1825-S1827 PolarHBondContact OD1-OG 2.97Å; S1827-W1829 PolarHBondContact O-N 2.76Å | ||
| 1828 | M | 23.5 | Very low | 25.9 | Very low | 178 Ų | 178 | 111.5 Ų | 111.5 | 88% | 0.877 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -56.4 | 109 | 175.2 | -70.1 | -78.2 | -163.6 | 0 | 0 | 111.8 | ||
| 1829 | W | 26.3 | Very low | 25.7 | Very low | 241 Ų | 241 | 118 Ų | 118 | 91% | 0.913 | 61% | 0.608 | S | S | * | * | 174.4 | 146.1 | 114.6 | -90.4 | 97.9 | 0 | 0 | 0 | 108.4 | S1827 | S1827-W1829 PolarHBondContact O-N 2.76Š| |||
| 1830 | P | 24.3 | Very low | 25.6 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 66% | 0.662 | 64% | 0.636 | S | S | * | * | trans | -107.3 | 149.5 | -156.5 | 37.7 | -29.1 | 0 | 0 | 0 | 114.8 | ||||
| 1831 | I | 24.4 | Very low | 25.3 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 87% | 0.867 | 67% | 0.665 | S | S | * | * | trans | -124.9 | 134.2 | 159.4 | -63.3 | -178.5 | 0 | 0 | 0 | 108.1 | ||||
| 1832 | I | 21.7 | Very low | 25 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 82% | 0.821 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 134.2 | -167.7 | -63.1 | 170.3 | 0 | 0 | 0 | 110.4 | ||
| 1833 | V | 22.2 | Very low | 24.6 | Very low | 118 Ų | 118 | 144 Ų | 144 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 116.4 | 176 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | L1835 | V1833-L1835 HydrophobicContact CG1-CD2 4.11Å; V1833-L1835 HydrophobicContact CG1-CG 4.17Å |
| 1834 | Q | 21 | Very low | 24.2 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 121.2 | 163.4 | -174.6 | 167.1 | -21.2 | 0 | 0 | 108.6 | ||
| 1835 | L | 21.7 | Very low | 23.7 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | -94.5 | 107.2 | 176.9 | -70.8 | 168.5 | 0 | 0 | 0 | 108.9 | V1833 M1837 | V1833-L1835 HydrophobicContact CG1-CD2 4.11Å; V1833-L1835 HydrophobicContact CG1-CG 4.17Å; L1835-M1837 HydrophobicContact CB-CG 4.48Å | ||
| 1836 | D | 22.1 | Very low | 23.1 | Very low | 140 Ų | 140 | 158.6 Ų | 158.6 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -91.7 | 128.7 | 162.3 | -155 | -21.6 | 0 | 0 | 0 | 109.1 | ||||
| 1837 | M | 23.9 | Very low | 22.9 | Very low | 156 Ų | 156 | 160.3 Ų | 160.3 | 77% | 0.768 | 79% | 0.791 | S | S | * | * | trans | -122.1 | 32 | -161.7 | -86.6 | -76 | -63.2 | 0 | 0 | 112.2 | L1835 | L1835-M1837 HydrophobicContact CB-CG 4.48Š| ||
| 1838 | N | 23.5 | Very low | 22.6 | Very low | 139 Ų | 139 | 163.9 Ų | 163.9 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -136.8 | 91.1 | 176.8 | -79.8 | -45.2 | 0 | 0 | 0 | 112.2 | ||||
| 1839 | N | 23.2 | Very low | 22.5 | Very low | 165 Ų | 165 | 161.1 Ų | 161.1 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -171.2 | 87.5 | 149.4 | -105.1 | -46.7 | 0 | 0 | 0 | 110.6 | ||||
| 1840 | K | 23.8 | Very low | 22.3 | Very low | 202 Ų | 202 | 158.7 Ų | 158.7 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | -130.9 | 71.6 | 169.7 | -104.3 | -159.1 | 175.2 | -166.5 | 0 | 108.9 | ||||
| 1841 | D | 23.8 | Very low | 22.2 | Very low | 159 Ų | 159 | 162.4 Ų | 162.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -145.9 | 94.8 | 165.3 | -87.6 | -50 | 0 | 0 | 0 | 110 | ||||
| 1842 | K | 21.5 | Very low | 22.1 | Very low | 185 Ų | 185 | 159.7 Ų | 159.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -159.4 | 141.3 | 164.3 | -109.2 | -167.8 | 179.2 | -168.7 | 0 | 109.1 | ||||
| 1843 | F | 22.9 | Very low | 22 | Very low | 158 Ų | 158 | 159.5 Ų | 159.5 | 69% | 0.693 | 79% | 0.794 | S | S | * | * | trans | 74.9 | 85.7 | 177.8 | -60.7 | -74 | 0 | 0 | 0 | 117.4 | ||||
| 1844 | E | 21.3 | Very low | 22 | Very low | 161 Ų | 161 | 158.7 Ų | 158.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 60.2 | 120.8 | 117.6 | -67.4 | 160.2 | -154.4 | 0 | 0 | 120.3 | |||||
| 1845 | R | 21.9 | Very low | 22 | Very low | 245 Ų | 245 | 154.5 Ų | 154.5 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | -163.4 | 156.4 | 101.6 | -103.5 | 168.3 | -169.5 | -168.5 | 1.2 | 114 | |||||
| 1846 | E | 19.6 | Very low | 22 | Very low | 184 Ų | 184 | 153.4 Ų | 153.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -61.2 | 154.8 | 166.9 | -71.7 | 170.1 | 147.2 | 0 | 0 | 111.9 | ||||
| 1847 | S | 21.6 | Very low | 22.1 | Very low | 102 Ų | 102 | 153.6 Ų | 153.6 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | cis | -163.4 | -177.5 | 1.6 | 44.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1848 | I | 20.6 | Very low | 22 | Very low | 152 Ų | 152 | 149.2 Ų | 149.2 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | 83.9 | 126.9 | 167.3 | -54.6 | 176.3 | 0 | 0 | 0 | 116.2 | ||||
| 1849 | T | 21.4 | Very low | 22 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -97.3 | 140.3 | 174 | 47.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1850 | E | 22.9 | Very low | 21.9 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | -160 | 169 | 114.1 | -115 | 176.5 | -164.8 | 0 | 0 | 112.8 | |||||
| 1851 | E | 21.2 | Very low | 21.9 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -101.8 | -176 | -151.5 | -170.7 | 174.8 | -127.6 | 0 | 0 | 113.1 | ||||
| 1852 | V | 21.5 | Very low | 22.1 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | trans | 101.2 | 101.2 | 154.4 | -170.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1853 | L | 21.2 | Very low | 22.1 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | 68.6 | 107.8 | 141.9 | -68.6 | 173.1 | 0 | 0 | 0 | 123.7 | ||||
| 1854 | S | 21.5 | Very low | 22.1 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | 128.7 | 131.8 | 95.5 | 66.9 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1855 | S | 21.8 | Very low | 22.1 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | 91.3 | 103.7 | 137.7 | 71.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1856 | T | 21.8 | Very low | 22.2 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | 75.3 | 121.2 | 125.3 | 53.5 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1857 | T | 23 | Very low | 22.4 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 67.4 | 149.8 | 140.2 | 57.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1858 | G | 22.2 | Very low | 22.4 | Very low | 64 Ų | 64 | 142.9 Ų | 142.9 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | cis | 172 | 158.8 | -8.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1859 | T | 23.8 | Very low | 22.4 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 67.1 | 113.4 | 153.3 | 53 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1860 | S | 21.6 | Very low | 22.4 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | 72.9 | 126.3 | 124.6 | 69.2 | 0 | 0 | 0 | 0 | 126.4 | |||||
| 1861 | H | 23.3 | Very low | 22.3 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | trans | 41 | 139.3 | 135.5 | -80.2 | -43.6 | 0 | 0 | 0 | 123.2 | ||||
| 1862 | P | 28.3 | Very low | 22.3 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -146.2 | -166.9 | 84.8 | 41.3 | -23.8 | 0 | 0 | 0 | 116.6 | |||||
| 1863 | Q | 20.8 | Very low | 22.3 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -94.3 | 165.5 | -169.6 | -57 | 160.3 | -14.7 | 0 | 0 | 113.7 | ||||
| 1864 | H | 22.9 | Very low | 22.4 | Very low | 199 Ų | 199 | 141.5 Ų | 141.5 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -152 | 156.7 | 151.6 | -125.5 | -90.6 | 0 | 0 | 0 | 113.5 | ||||
| 1865 | M | 21.3 | Very low | 22.4 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -83.2 | 162.4 | -164.9 | -99.1 | -70.9 | -172.6 | 0 | 0 | 116.5 | ||||
| 1866 | N | 23 | Very low | 22.4 | Very low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -113.7 | 112.5 | -176.4 | 179.1 | 12.1 | 0 | 0 | 0 | 112 | ||||
| 1867 | P | 24.8 | Very low | 22.4 | Very low | 102 Ų | 102 | 148.4 Ų | 148.4 | 66% | 0.662 | 81% | 0.806 | S | S | * | * | trans | -111.5 | 100.8 | 179.5 | 36 | -24.6 | 0 | 0 | 0 | 112.9 | ||||
| 1868 | F | 21.3 | Very low | 22.2 | Very low | 209 Ų | 209 | 150.2 Ų | 150.2 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -172.4 | 121.7 | 135.1 | -92.6 | -57.9 | 0 | 0 | 0 | 109.3 | ||||
| 1869 | R | 21.1 | Very low | 22.2 | Very low | 195 Ų | 195 | 152 Ų | 152 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -138.9 | 111.8 | -176.8 | -172.6 | -175.1 | -166.1 | 176.5 | 7.4 | 108.9 | Y1871 | R1869-Y1871 HydrophobicContact CG-CD2 4.46Å; R1869-Y1871 HydrophobicContact CG-CE2 4.18Å; R1869-Y1871 PolarHBondContact NH2-OH 3.01Å | ||
| 1870 | V | 20.7 | Very low | 22.2 | Very low | 141 Ų | 141 | 153.3 Ų | 153.3 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -116 | 125.1 | 170 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1871 | Y | 22 | Very low | 22.3 | Very low | 165 Ų | 165 | 153 Ų | 153 | 65% | 0.647 | 81% | 0.805 | S | S | * | * | trans | -81.1 | 141.7 | 172.9 | -74.9 | -108.4 | 0 | 0 | 0 | 109 | R1869 | R1869-Y1871 HydrophobicContact CG-CD2 4.46Å; R1869-Y1871 HydrophobicContact CG-CE2 4.18Å; R1869-Y1871 PolarHBondContact NH2-OH 3.01Å | ||
| 1872 | N | 20.5 | Very low | 22.2 | Very low | 158 Ų | 158 | 155.5 Ų | 155.5 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -142.9 | 115.7 | 146.8 | -150.4 | -0.2 | 0 | 0 | 0 | 109.5 | ||||
| 1873 | S | 22.5 | Very low | 22 | Very low | 110 Ų | 110 | 157 Ų | 157 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -115 | 108.1 | -176.9 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1874 | S | 21.7 | Very low | 22.1 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -136.4 | 127.5 | 170.6 | 54.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1875 | S | 22.1 | Very low | 22.2 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -89.1 | 150.8 | -170.2 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1876 | Q | 21.9 | Very low | 22.3 | Very low | 185 Ų | 185 | 150 Ų | 150 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 34 | 113.4 | 146.9 | -66.5 | 178.6 | -25.2 | 0 | 0 | 118.5 | ||||
| 1877 | L | 21.3 | Very low | 22.3 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | -161.7 | 114.7 | 120.8 | -109.7 | 159 | 0 | 0 | 0 | 110.6 | |||||
| 1878 | E | 19.9 | Very low | 22.2 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -76 | 144.6 | 157.7 | -61 | 176.5 | 117.4 | 0 | 0 | 108.8 | ||||
| 1879 | S | 22.2 | Very low | 22.4 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 154 | 167.5 | 131.5 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1880 | I | 23 | Very low | 22.5 | Very low | 166 Ų | 166 | 138 Ų | 138 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | 64.6 | 83.2 | 171.9 | -46.3 | -173.9 | 0 | 0 | 0 | 114.4 | ||||
| 1881 | S | 22.7 | Very low | 22.7 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -74.6 | -179.8 | 165.9 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1882 | R | 22.8 | Very low | 23 | Very low | 232 Ų | 232 | 136 Ų | 136 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | trans | 93.5 | 63 | 166.9 | -52.2 | 177.3 | -177 | -174.7 | -0.1 | 117 | ||||
| 1883 | D | 23.6 | Very low | 23.2 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -151.4 | 161.4 | 133.5 | -130.6 | -32.5 | 0 | 0 | 0 | 113.6 | ||
| 1884 | A | 23.6 | Very low | 23.4 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | 41.8 | 78 | 160.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1885 | S | 24.5 | Very low | 23.6 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -161.9 | 67.7 | 145.9 | 53.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1886 | F | 23 | Very low | 24.2 | Very low | 215 Ų | 215 | 137.9 Ų | 137.9 | 94% | 0.943 | 74% | 0.744 | S | S | * | * | trans | -95.6 | 35.7 | 154.5 | -118.5 | -76.8 | 0 | 0 | 0 | 111.7 | P1888 | F1886-P1888 WeakPolarHBondContact O-CD 3.32Š| ||
| 1887 | I | 23.3 | Very low | 24.5 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 74% | 0.744 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -69 | 117.1 | 159.7 | -62 | 175.3 | 0 | 0 | 0 | 105.1 | S1889 | I1887-S1889 PolarHBondContact O-N 3.37Š|
| 1888 | P | 22.6 | Very low | 25.1 | Very low | 58 Ų | 58 | 133.3 Ų | 133.3 | 38% | 0.377 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 125.3 | 179.6 | 25.3 | -32.7 | 0 | 0 | 0 | 108.4 | F1886 L1890 P1917 | F1886-P1888 WeakPolarHBondContact O-CD 3.32Å; P1888-L1890 PolarHBondContact O-N 3.07Å; P1888-P1917 HydrophobicContact CB-CG 4.14Å; P1888-P1917 HydrophobicContact CG-CG 4.01Å |
| 1889 | S | 24.4 | Very low | 25.6 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 130.1 | 167.5 | 42.2 | 0 | 0 | 0 | 0 | 108.2 | I1887 I1891 | I1887-S1889 PolarHBondContact O-N 3.37Å; S1889-I1891 VanDerWaalsContact C-N 3.27Å; S1889-I1891 WeakPolarHBondContact O-CG1 3.49Å; S1889-I1891 PolarHBondContact O-N 3.43Å |
| 1890 | L | 25 | Very low | 26.2 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 55% | 0.55 | 67% | 0.665 | S | S | . | * | trans | -65.8 | 92.3 | 174.4 | -83.4 | 162.2 | 0 | 0 | 0 | 107.9 | P1888 W1892 | P1888-L1890 PolarHBondContact O-N 3.07Å; L1890-W1892 VanDerWaalsContact C-N 3.26Å; L1890-W1892 PolarHBondContact O-N 3.28Å | ||
| 1891 | I | 25 | Very low | 26.7 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 68% | 0.677 | 64% | 0.644 | S | S | * | * | trans | -71.3 | 89.5 | 176.1 | -48.4 | -174.6 | 0 | 0 | 0 | 107.1 | S1889 I1893 | S1889-I1891 VanDerWaalsContact C-N 3.27Å; S1889-I1891 WeakPolarHBondContact O-CG1 3.49Å; S1889-I1891 PolarHBondContact O-N 3.43Å; I1891-I1893 VanDerWaalsContact C-N 3.27Å; I1891-I1893 HydrophobicContact CB-CG1 4.46Å; I1891-I1893 HydrophobicContact CG2-CD1 4.24Å; I1891-I1893 HydrophobicContact CG2-CG1 3.68Å; I1891-I1893 PolarHBondContact O-N 3Å | ||
| 1892 | W | 26.5 | Very low | 27.3 | Very low | 133 Ų | 133 | 117.6 Ų | 117.6 | 50% | 0.504 | 62% | 0.617 | S | S | . | * | trans | -68.1 | 84.1 | 172.5 | -83.1 | 85 | 0 | 0 | 0 | 109.7 | L1890 G1894 L1912 | L1890-W1892 VanDerWaalsContact C-N 3.26Å; L1890-W1892 PolarHBondContact O-N 3.28Å; W1892-G1894 VanDerWaalsContact C-N 3.27Å; W1892-G1894 PolarHBondContact O-N 3.29Å; W1892-L1912 HydrophobicContact CH2-CB 4.48Å; W1892-L1912 HydrophobicContact CH2-CD1 4.48Å; W1892-L1912 HydrophobicContact CZ3-CD2 4.5Å | ||
| 1893 | I | 25.6 | Very low | 27.9 | Very low | 163 Ų | 163 | 110.8 Ų | 110.8 | 84% | 0.836 | 60% | 0.595 | S | S | * | * | trans | -78.3 | 79.9 | 173.2 | -52.2 | 178.9 | 0 | 0 | 0 | 108.5 | I1891 | I1891-I1893 VanDerWaalsContact C-N 3.27Å; I1891-I1893 HydrophobicContact CB-CG1 4.46Å; I1891-I1893 HydrophobicContact CG2-CD1 4.24Å; I1891-I1893 HydrophobicContact CG2-CG1 3.68Å; I1891-I1893 PolarHBondContact O-N 3Å | ||
| 1894 | G | 26.3 | Very low | 28.2 | Very low | 51 Ų | 51 | 106 Ų | 106 | 53% | 0.526 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -169.1 | 147.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | W1892 T1896 | W1892-G1894 VanDerWaalsContact C-N 3.27Å; W1892-G1894 PolarHBondContact O-N 3.29Å; G1894-T1896 PolarHBondContact O-N 3.46Å; G1894-T1896 VanDerWaalsContact O-N 3.13Å |
| 1895 | L | 25.3 | Very low | 28.7 | Very low | 177 Ų | 177 | 111.6 Ų | 111.6 | 93% | 0.927 | 58% | 0.575 | S | S | * | * | trans | -59.1 | 115.3 | -173.9 | -82.1 | 160.4 | 0 | 0 | 0 | 111.9 | K1897 | L1895-K1897 PolarHBondContact O-N 3.35Š| ||
| 1896 | T | 34.7 | Very low | 29.2 | Very low | 136 Ų | 136 | 110.2 Ų | 110.2 | 83% | 0.834 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -78.3 | 19.6 | -166.6 | 44.5 | 0 | 0 | 0 | 0 | 115.3 | G1894 | G1894-T1896 PolarHBondContact O-N 3.46Å; G1894-T1896 VanDerWaalsContact O-N 3.13Å |
| 1897 | K | 28.9 | Very low | 29.8 | Very low | 140 Ų | 140 | 104.3 Ų | 104.3 | 61% | 0.609 | 54% | 0.539 | S | S | * | . | trans | -155 | 119.4 | 178.3 | -174.2 | -168.7 | 175.8 | -150 | 0 | 110.3 | L1895 E1899 | L1895-K1897 PolarHBondContact O-N 3.35Å; K1897-E1899 WeakPolarHBondContact CE-OE1 3.44Å; K1897-E1899 IonicContact NZ-OE1 2.77Å; K1897-E1899 PolarHBondContact NZ-OE1 3.35Å | ||
| 1898 | Q | 33.9 | Very low | 30.4 | Very low | 117 Ų | 117 | 100.8 Ų | 100.8 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | trans | -128.9 | 111.1 | 174.1 | -154.4 | 166.4 | 21.2 | 0 | 0 | 109 | F1900 | Q1898-F1900 HydrophobicContact CB-CE2 3.89Å; Q1898-F1900 HydrophobicContact CB-CZ 3.85Å; Q1898-F1900 HydrophobicContact CG-CE1 3.97Å; Q1898-F1900 HydrophobicContact CG-CE2 4.14Å; Q1898-F1900 HydrophobicContact CG-CZ 3.64Å; Q1898-F1900 WeakPolarHBondContact O-CD2 3.22Å; Q1898-F1900 PolarHBondContact O-N 3.48Å; Q1898-F1900 VanDerWaalsContact OE1-CZ 3.3Å | ||
| 1899 | E | 29.8 | Very low | 31.1 | Very low | 72 Ų | 72 | 101.3 Ų | 101.3 | 34% | 0.336 | 52% | 0.522 | S | S | . | . | trans | -85.7 | 104.2 | 179.5 | -67.3 | -173.6 | 170.8 | 0 | 0 | 109.5 | Q1820 K1822 K1897 H1901 | Q1820-E1899 PolarHBondContact NE2-OE2 2.85Å; Q1820-E1899 PolarHBondContact OE1-OE2 3.14Å; K1822-E1899 VanDerWaalsContact CE-OE1 3.25Å; K1822-E1899 WeakPolarHBondContact CE-OE1 3.42Å; K1822-E1899 VanDerWaalsContact NZ-CD 3.35Å; K1822-E1899 IonicContact NZ-OE1 3.54Å; K1822-E1899 PolarHBondContact NZ-OE1 3.01Å; K1822-E1899 IonicContact NZ-OE2 3.58Å; K1897-E1899 WeakPolarHBondContact CE-OE1 3.44Å; K1897-E1899 IonicContact NZ-OE1 2.77Å; K1897-E1899 PolarHBondContact NZ-OE1 3.35Å; E1899-H1901 PolarHBondContact O-N 2.94Å | ||
| 1900 | F | 36.2 | Very low | 31.6 | Very low | 34 Ų | 34 | 98.7 Ų | 98.7 | 15% | 0.149 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.4 | 175.8 | -59.1 | -78.7 | 0 | 0 | 0 | 109.8 | A1821 I1823 Q1898 L1902 K1908 L1910 | A1821-F1900 PolarHBondContact N-O 3.29Å; I1823-F1900 HydrophobicContact CD1-CD2 4.23Å; I1823-F1900 HydrophobicContact CD1-CE2 3.98Å; Q1898-F1900 HydrophobicContact CB-CE2 3.89Å; Q1898-F1900 HydrophobicContact CB-CZ 3.85Å; Q1898-F1900 HydrophobicContact CG-CE1 3.97Å; Q1898-F1900 HydrophobicContact CG-CE2 4.14Å; Q1898-F1900 HydrophobicContact CG-CZ 3.64Å; Q1898-F1900 WeakPolarHBondContact O-CD2 3.22Å; Q1898-F1900 PolarHBondContact O-N 3.48Å; Q1898-F1900 VanDerWaalsContact OE1-CZ 3.3Å; F1900-L1902 HydrophobicContact CB-CG 4.46Å; F1900-L1902 PolarHBondContact O-N 3.43Å; F1900-K1908 HydrophobicContact CD1-CD 4.17Å; F1900-L1910 HydrophobicContact CE1-CD1 4.38Å; F1900-L1910 HydrophobicContact CE2-CD2 4.06Å; F1900-L1910 HydrophobicContact CZ-CD1 3.81Å; F1900-L1910 HydrophobicContact CZ-CD2 3.81Å; F1900-L1910 HydrophobicContact CZ-CG 4.3Å |
| 1901 | H | 33.9 | Very low | 32.2 | Very low | 89 Ų | 89 | 97 Ų | 97 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 109.1 | 151.5 | -81.1 | -73.3 | 0 | 0 | 0 | 108 | S1818 Q1820 E1899 K1908 | S1818-H1901 PolarHBondContact O-ND1 3.24Å; S1818-H1901 PolarHBondContact OG-ND1 2.9Å; Q1820-H1901 VanDerWaalsContact CG-CE1 3.48Å; Q1820-H1901 WeakPolarHBondContact CG-CE1 3.23Å; Q1820-H1901 PolarHBondContact NE2-NE2 2.66Å; E1899-H1901 PolarHBondContact O-N 2.94Å; H1901-K1908 PolarHBondContact O-NZ 3.47Å |
| 1902 | L | 35.2 | Very low | 32.5 | Very low | 24 Ų | 24 | 92.8 Ų | 92.8 | 13% | 0.126 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 123.3 | 171 | -72.5 | 165.9 | 0 | 0 | 0 | 109.1 | S1818 V1819 A1821 F1900 K1908 | S1818-L1902 WeakPolarHBondContact CA-O 3.47Å; S1818-L1902 VanDerWaalsContact CB-O 3.31Å; S1818-L1902 WeakPolarHBondContact CB-O 3.32Å; V1819-L1902 PolarHBondContact N-O 3.12Å; V1819-L1902 PolarHBondContact O-N 2.84Å; A1821-L1902 HydrophobicContact CB-CD1 4.4Å; F1900-L1902 HydrophobicContact CB-CG 4.46Å; F1900-L1902 PolarHBondContact O-N 3.43Å; L1902-K1908 HydrophobicContact CD2-CB 3.89Å; L1902-K1908 HydrophobicContact CD2-CD 3.96Å; L1902-K1908 HydrophobicContact CD2-CG 3.94Å |
| 1903 | Q | 35 | Very low | 32.7 | Very low | 88 Ų | 88 | 94.1 Ų | 94.1 | 41% | 0.411 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 153.8 | 165.3 | -66.7 | -65.9 | -6.9 | 0 | 0 | 109.7 | Q1906 | Q1903-Q1906 HydrophobicContact CB-CB 3.88Å; Q1903-Q1906 VanDerWaalsContact O-CB 3.26Å; Q1903-Q1906 WeakPolarHBondContact O-CB 3.47Å; Q1903-Q1906 PolarHBondContact O-N 3.04Å; Q1903-Q1906 VanDerWaalsContact O-N 3.12Å |
| 1904 | P | 30.1 | Very low | 33 | Very low | 59 Ų | 59 | 88.9 Ų | 88.9 | 38% | 0.383 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 145 | 173.2 | 28.3 | -36.7 | 0 | 0 | 0 | 109.9 | P1816 Q1906 | P1816-P1904 HydrophobicContact CB-CG 3.61Å; P1816-P1904 HydrophobicContact CG-CG 3.77Å; P1904-Q1906 PolarHBondContact O-N 2.92Å |
| 1905 | Y | 34.1 | Very low | 33.1 | Very low | 208 Ų | 208 | 94.2 Ų | 94.2 | 82% | 0.816 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | -4.1 | -173.2 | -43.3 | -74.9 | 0 | 0 | 0 | 115.9 | V1907 | Y1905-V1907 PolarHBondContact O-N 3.12Å; Y1905-V1907 VanDerWaalsContact O-N 3.15Å |
| 1906 | Q | 34.5 | Very low | 33.1 | Very low | 74 Ų | 74 | 89.8 Ų | 89.8 | 35% | 0.346 | 47% | 0.468 | S | S | . | . | trans | -81.5 | 98 | 179.8 | -169.2 | -179.2 | 44.1 | 0 | 0 | 111.2 | Q1903 P1904 K1908 | Q1903-Q1906 HydrophobicContact CB-CB 3.88Å; Q1903-Q1906 VanDerWaalsContact O-CB 3.26Å; Q1903-Q1906 WeakPolarHBondContact O-CB 3.47Å; Q1903-Q1906 PolarHBondContact O-N 3.04Å; Q1903-Q1906 VanDerWaalsContact O-N 3.12Å; P1904-Q1906 PolarHBondContact O-N 2.92Å; Q1906-K1908 VanDerWaalsContact CD-CE 3.5Å; Q1906-K1908 HydrophobicContact CG-CG 4.18Å; Q1906-K1908 PolarHBondContact O-N 3.49Å | ||
| 1907 | V | 34.7 | Very low | 32.7 | Very low | 91 Ų | 91 | 87.5 Ų | 87.5 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | trans | -68.6 | 110.8 | 165.8 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | Y1905 K1930 A1931 A1932 | Y1905-V1907 PolarHBondContact O-N 3.12Å; Y1905-V1907 VanDerWaalsContact O-N 3.15Å; V1907-K1930 HydrophobicContact CG1-CB 4.13Å; V1907-A1931 WeakPolarHBondContact CA-O 3.37Å; V1907-A1932 HydrophobicContact CG2-CB 4.14Å | ||
| 1908 | K | 37.1 | Very low | 32.6 | Very low | 72 Ų | 72 | 88.8 Ų | 88.8 | 31% | 0.313 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.1 | 169.4 | -78.6 | -173.3 | 173.1 | 161.4 | 0 | 109.7 | F1900 H1901 L1902 Q1906 A1931 | F1900-K1908 HydrophobicContact CD1-CD 4.17Å; H1901-K1908 PolarHBondContact O-NZ 3.47Å; L1902-K1908 HydrophobicContact CD2-CB 3.89Å; L1902-K1908 HydrophobicContact CD2-CD 3.96Å; L1902-K1908 HydrophobicContact CD2-CG 3.94Å; Q1906-K1908 VanDerWaalsContact CD-CE 3.5Å; Q1906-K1908 HydrophobicContact CG-CG 4.18Å; Q1906-K1908 PolarHBondContact O-N 3.49Å; K1908-A1931 PolarHBondContact N-O 3.09Å; K1908-A1931 VanDerWaalsContact N-O 3.11Å; K1908-A1931 PolarHBondContact O-N 2.87Å |
| 1909 | C | 37.2 | Very low | 32.2 | Very low | 68 Ų | 68 | 93.7 Ų | 93.7 | 46% | 0.459 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.3 | 173.5 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | K1930 | C1909-K1930 HydrophobicContact CB-CG 4.21Å |
| 1910 | L | 35.4 | Very low | 32.1 | Very low | 39 Ų | 39 | 93 Ų | 93 | 20% | 0.204 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 100.6 | 173.4 | -173.1 | 63.9 | 0 | 0 | 0 | 109.7 | F1900 L1912 I1929 | F1900-L1910 HydrophobicContact CE1-CD1 4.38Å; F1900-L1910 HydrophobicContact CE2-CD2 4.06Å; F1900-L1910 HydrophobicContact CZ-CD1 3.81Å; F1900-L1910 HydrophobicContact CZ-CD2 3.81Å; F1900-L1910 HydrophobicContact CZ-CG 4.3Å; L1910-L1912 HydrophobicContact CD2-CD2 4.12Å; L1910-L1912 HydrophobicContact CD2-CG 4.49Å; L1910-L1912 HydrophobicContact CG-CD2 4.08Å; L1910-L1912 HydrophobicContact CG-CG 4.34Å; L1910-L1912 PolarHBondContact O-N 3.32Å; L1910-I1929 PolarHBondContact N-O 2.97Å; L1910-I1929 PolarHBondContact O-N 3.43Å |
| 1911 | T | 35.9 | Very low | 31.6 | Very low | 70 Ų | 70 | 97.2 Ų | 97.2 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 107.2 | 177.7 | -47.1 | 0 | 0 | 0 | 0 | 110.1 | T1926 F1927 | T1911-T1926 HydrophobicContact CG2-CG2 3.67Å; T1911-F1927 WeakPolarHBondContact CA-O 3.49Å |
| 1912 | L | 32.4 | Very low | 31.2 | Very low | 44 Ų | 44 | 101.8 Ų | 101.8 | 23% | 0.23 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 137.8 | 179.3 | -66.7 | 177.5 | 0 | 0 | 0 | 110.7 | W1892 L1910 F1927 I1929 | W1892-L1912 HydrophobicContact CH2-CB 4.48Å; W1892-L1912 HydrophobicContact CH2-CD1 4.48Å; W1892-L1912 HydrophobicContact CZ3-CD2 4.5Å; L1910-L1912 HydrophobicContact CD2-CD2 4.12Å; L1910-L1912 HydrophobicContact CD2-CG 4.49Å; L1910-L1912 HydrophobicContact CG-CD2 4.08Å; L1910-L1912 HydrophobicContact CG-CG 4.34Å; L1910-L1912 PolarHBondContact O-N 3.32Å; L1912-F1927 HydrophobicContact CB-CD2 4.4Å; L1912-F1927 HydrophobicContact CB-CE1 4.07Å; L1912-F1927 HydrophobicContact CB-CE2 3.84Å; L1912-F1927 HydrophobicContact CB-CZ 3.64Å; L1912-F1927 HydrophobicContact CD1-CE2 3.78Å; L1912-F1927 HydrophobicContact CD1-CZ 3.98Å; L1912-F1927 HydrophobicContact CG-CE2 4.32Å; L1912-F1927 HydrophobicContact CG-CZ 4.44Å; L1912-F1927 PolarHBondContact N-O 3.41Å; L1912-F1927 VanDerWaalsContact N-O 3.09Å; L1912-I1929 HydrophobicContact CD1-CD1 3.87Å |
| 1913 | K | 31.4 | Very low | 30.8 | Very low | 161 Ų | 161 | 107.5 Ų | 107.5 | 70% | 0.7 | 57% | 0.568 | S | S | * | * | trans | -121.6 | 94.7 | -178.2 | -73.5 | -179.1 | 178.7 | -179.3 | 0 | 109.8 | T1926 | K1913-T1926 HydrophobicContact CD-CG2 4.11Å; K1913-T1926 HydrophobicContact CG-CG2 3.64Å | ||
| 1914 | A | 30.1 | Very low | 30.3 | Very low | 52 Ų | 52 | 110.9 Ų | 110.9 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | trans | -81.9 | 142.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1915 | L | 28.4 | Very low | 30.3 | Very low | 164 Ų | 164 | 112.2 Ų | 112.2 | 86% | 0.859 | 60% | 0.598 | S | S | * | * | trans | -114.8 | 107.4 | 169.5 | -90.1 | 163 | 0 | 0 | 0 | 108.2 | P1917 | L1915-P1917 WeakPolarHBondContact O-CD 3.44Š| ||
| 1916 | A | 26.2 | Very low | 30.1 | Very low | 83 Ų | 83 | 105.6 Ų | 105.6 | 69% | 0.686 | 58% | 0.579 | S | S | * | * | trans | -84.8 | 118.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q1918 | A1916-Q1918 PolarHBondContact O-N 2.67Å; A1916-Q1918 VanDerWaalsContact O-N 3.09Å | ||
| 1917 | P | 26.6 | Very low | 29.8 | Very low | 89 Ų | 89 | 106.1 Ų | 106.1 | 58% | 0.578 | 58% | 0.581 | S | S | * | * | trans | -89.7 | 61.9 | -168.3 | 36.1 | -37.1 | 0 | 0 | 0 | 113.4 | P1888 L1915 | P1888-P1917 HydrophobicContact CB-CG 4.14Å; P1888-P1917 HydrophobicContact CG-CG 4.01Å; L1915-P1917 WeakPolarHBondContact O-CD 3.44Å | ||
| 1918 | Q | 26.7 | Very low | 29.6 | Very low | 167 Ų | 167 | 102.8 Ų | 102.8 | 78% | 0.78 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -154.7 | 157.1 | 163.9 | -124.8 | 170.5 | 5 | 0 | 0 | 114.8 | A1916 G1920 | A1916-Q1918 PolarHBondContact O-N 2.67Å; A1916-Q1918 VanDerWaalsContact O-N 3.09Å; Q1918-G1920 PolarHBondContact O-N 3.25Å |
| 1919 | F | 25.8 | Very low | 29.3 | Very low | 220 Ų | 220 | 100.4 Ų | 100.4 | 97% | 0.965 | 55% | 0.552 | S | S | * | * | trans | -87.6 | 101.3 | -166.7 | -63.9 | -89.2 | 0 | 0 | 0 | 113 | ||||
| 1920 | G | 26.9 | Very low | 29.2 | Very low | 57 Ų | 57 | 100.8 Ų | 100.8 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -158.2 | 155 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | Q1918 F1922 | Q1918-G1920 PolarHBondContact O-N 3.25Å; G1920-F1922 PolarHBondContact O-N 2.97Å |
| 1921 | I | 27 | Very low | 29.1 | Very low | 122 Ų | 122 | 100.1 Ų | 100.1 | 63% | 0.626 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -81.2 | 86.2 | -173.8 | -51.7 | 173.7 | 0 | 0 | 0 | 111 | Q851 | Q851-I1921 VanDerWaalsContact NE2-CG1 3.3Š|
| 1922 | F | 24.7 | Very low | 29 | Very low | 186 Ų | 186 | 98.8 Ų | 98.8 | 82% | 0.816 | 54% | 0.542 | S | S | * | . | trans | -142.1 | 118.4 | 158.1 | -76.5 | -70.1 | 0 | 0 | 0 | 111.2 | G1920 L1924 | G1920-F1922 PolarHBondContact O-N 2.97Å; F1922-L1924 VanDerWaalsContact C-N 3.32Å; F1922-L1924 HydrophobicContact CB-CG 4.48Å; F1922-L1924 PolarHBondContact O-N 3.35Å; F1922-L1924 VanDerWaalsContact O-N 3.15Å | ||
| 1923 | N | 27.3 | Very low | 28.8 | Very low | 143 Ų | 143 | 99.9 Ų | 99.9 | 77% | 0.765 | 55% | 0.552 | S | S | * | * | trans | -87.8 | 64.9 | 178.9 | -174.7 | 30.3 | 0 | 0 | 0 | 111.4 | C1925 | N1923-C1925 PolarHBondContact O-N 3.49Å; N1923-C1925 PolarHBondContact OD1-SG 3.05Å | ||
| 1924 | L | 25 | Very low | 28.7 | Very low | 159 Ų | 159 | 96.5 Ų | 96.5 | 83% | 0.832 | 54% | 0.541 | S | S | * | . | trans | -80 | 70.1 | 176.7 | -71.2 | 171.7 | 0 | 0 | 0 | 111.1 | F1922 | F1922-L1924 VanDerWaalsContact C-N 3.32Å; F1922-L1924 HydrophobicContact CB-CG 4.48Å; F1922-L1924 PolarHBondContact O-N 3.35Å; F1922-L1924 VanDerWaalsContact O-N 3.15Å | ||
| 1925 | C | 28.4 | Very low | 28.5 | Very low | 87 Ų | 87 | 101 Ų | 101 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | trans | -80.5 | 133.7 | 172.1 | -86.2 | 0 | 0 | 0 | 0 | 111.5 | N1923 | N1923-C1925 PolarHBondContact O-N 3.49Å; N1923-C1925 PolarHBondContact OD1-SG 3.05Å | ||
| 1926 | T | 30.1 | Very low | 28.3 | Very low | 69 Ų | 69 | 96.6 Ų | 96.6 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | trans | 49.4 | 93.7 | 152.9 | 50.2 | 0 | 0 | 0 | 0 | 117.9 | T1911 K1913 | T1911-T1926 HydrophobicContact CG2-CG2 3.67Å; K1913-T1926 HydrophobicContact CD-CG2 4.11Å; K1913-T1926 HydrophobicContact CG-CG2 3.64Å | ||
| 1927 | F | 28.3 | Very low | 28.3 | Very low | 85 Ų | 85 | 102.7 Ų | 102.7 | 37% | 0.373 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 151.2 | 162.3 | 60.7 | -83.9 | 0 | 0 | 0 | 111.3 | T1911 L1912 I1929 | T1911-F1927 WeakPolarHBondContact CA-O 3.49Å; L1912-F1927 HydrophobicContact CB-CD2 4.4Å; L1912-F1927 HydrophobicContact CB-CE1 4.07Å; L1912-F1927 HydrophobicContact CB-CE2 3.84Å; L1912-F1927 HydrophobicContact CB-CZ 3.64Å; L1912-F1927 HydrophobicContact CD1-CE2 3.78Å; L1912-F1927 HydrophobicContact CD1-CZ 3.98Å; L1912-F1927 HydrophobicContact CG-CE2 4.32Å; L1912-F1927 HydrophobicContact CG-CZ 4.44Å; L1912-F1927 PolarHBondContact N-O 3.41Å; L1912-F1927 VanDerWaalsContact N-O 3.09Å; F1927-I1929 HydrophobicContact CD2-CG1 4.27Å; F1927-I1929 HydrophobicContact CE2-CD1 4.25Å; F1927-I1929 HydrophobicContact CE2-CG1 4.4Å |
| 1928 | S | 31 | Very low | 28.2 | Very low | 22 Ų | 22 | 104.8 Ų | 104.8 | 15% | 0.154 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 87.6 | -164 | 69.4 | 0 | 0 | 0 | 0 | 114.7 | K1930 E1974 | S1928-K1930 PolarHBondContact O-N 2.88Å; S1928-K1930 PolarHBondContact OG-NZ 3.23Å; S1928-E1974 PolarHBondContact N-OXT 2.95Å; S1928-E1974 VanDerWaalsContact N-OXT 3.09Å; S1928-E1974 PolarHBondContact OG-OXT 3.43Å; S1928-E1974 VanDerWaalsContact OG-OXT 3.08Å |
| 1929 | I | 31.4 | Very low | 28 | Very low | 22 Ų | 22 | 100 Ų | 100 | 11% | 0.113 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 105.4 | -179.4 | -54.4 | 178.8 | 0 | 0 | 0 | 110 | I1748 L1910 L1912 F1927 | I1748-I1929 HydrophobicContact CD1-CD1 3.59Å; L1910-I1929 PolarHBondContact N-O 2.97Å; L1910-I1929 PolarHBondContact O-N 3.43Å; L1912-I1929 HydrophobicContact CD1-CD1 3.87Å; F1927-I1929 HydrophobicContact CD2-CG1 4.27Å; F1927-I1929 HydrophobicContact CE2-CD1 4.25Å; F1927-I1929 HydrophobicContact CE2-CG1 4.4Å |
| 1930 | K | 33.8 | Very low | 27.8 | Very low | 76 Ų | 76 | 97.8 Ų | 97.8 | 33% | 0.33 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110.9 | 175.4 | -68.8 | 157.5 | -169.9 | 144.2 | 0 | 109.8 | V1907 C1909 S1928 | V1907-K1930 HydrophobicContact CG1-CB 4.13Å; C1909-K1930 HydrophobicContact CB-CG 4.21Å; S1928-K1930 PolarHBondContact O-N 2.88Å; S1928-K1930 PolarHBondContact OG-NZ 3.23Å |
| 1931 | A | 33 | Very low | 27.6 | Very low | 24 Ų | 24 | 98.3 Ų | 98.3 | 20% | 0.198 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1907 K1908 L1970 | V1907-A1931 WeakPolarHBondContact CA-O 3.37Å; K1908-A1931 PolarHBondContact N-O 3.09Å; K1908-A1931 VanDerWaalsContact N-O 3.11Å; K1908-A1931 PolarHBondContact O-N 2.87Å; A1931-L1970 HydrophobicContact CB-CD1 4.4Å |
| 1932 | A | 34.1 | Very low | 27.4 | Very low | 42 Ų | 42 | 100.1 Ų | 100.1 | 35% | 0.347 | 53% | 0.53 | S | S | . | . | trans | -140.5 | 136 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1907 L1934 | V1907-A1932 HydrophobicContact CG2-CB 4.14Å; A1932-L1934 PolarHBondContact O-N 2.76Å | ||
| 1933 | P | 29.8 | Very low | 27.2 | Very low | 68 Ų | 68 | 98.6 Ų | 98.6 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | trans | -75.8 | 92.9 | 174.4 | 30.4 | -32.9 | 0 | 0 | 0 | 110.2 | L1935 | P1933-L1935 PolarHBondContact O-N 2.95Å; P1933-L1935 VanDerWaalsContact O-N 3.07Å | ||
| 1934 | L | 28 | Very low | 27 | Very low | 90 Ų | 90 | 98.6 Ų | 98.6 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | trans | -69.7 | 97.7 | 176.8 | -169.8 | 98 | 0 | 0 | 0 | 110.2 | A1932 L1936 L1968 | A1932-L1934 PolarHBondContact O-N 2.76Å; L1934-L1936 PolarHBondContact O-N 3.25Å; L1934-L1968 HydrophobicContact CB-CD2 4.04Å; L1934-L1968 VanDerWaalsContact O-CD1 3.29Å; L1934-L1968 WeakPolarHBondContact O-CD1 3.45Å; L1934-L1968 VanDerWaalsContact O-CD2 3.22Å; L1934-L1968 WeakPolarHBondContact O-CD2 3.38Å; L1934-L1968 WeakPolarHBondContact O-CG 3.17Å | ||
| 1935 | L | 27.3 | Very low | 26.9 | Very low | 145 Ų | 145 | 96.4 Ų | 96.4 | 76% | 0.759 | 52% | 0.522 | S | S | * | . | trans | -56.8 | 110.3 | 176.2 | -93.4 | 164.2 | 0 | 0 | 0 | 110.3 | P1933 Y1937 | P1933-L1935 PolarHBondContact O-N 2.95Å; P1933-L1935 VanDerWaalsContact O-N 3.07Å; L1935-Y1937 PolarHBondContact O-N 2.84Å | ||
| 1936 | L | 24.2 | Very low | 26.6 | Very low | 73 Ų | 73 | 98.7 Ų | 98.7 | 38% | 0.382 | 53% | 0.533 | S | S | . | . | trans | -69.7 | 97 | -179 | -141.6 | 177.5 | 0 | 0 | 0 | 107.7 | L1934 N1938 M1967 L1968 | L1934-L1936 PolarHBondContact O-N 3.25Å; L1936-N1938 PolarHBondContact O-N 3.31Å; L1936-M1967 WeakPolarHBondContact CD1-O 3.33Å; L1936-L1968 HydrophobicContact CB-CD1 4.32Å; L1936-L1968 HydrophobicContact CB-CG 4.38Å; L1936-L1968 HydrophobicContact CD1-CB 4.21Å | ||
| 1937 | Y | 24.4 | Very low | 26.3 | Very low | 210 Ų | 210 | 102 Ų | 102 | 82% | 0.824 | 55% | 0.548 | S | S | * | . | trans | -58.3 | 121.6 | 172.9 | -123 | -91.8 | 0 | 0 | 0 | 107.9 | L1935 S1939 | L1935-Y1937 PolarHBondContact O-N 2.84Å; Y1937-S1939 PolarHBondContact O-N 3.06Å | ||
| 1938 | N | 24.7 | Very low | 25.9 | Very low | 134 Ų | 134 | 107.9 Ų | 107.9 | 72% | 0.717 | 57% | 0.574 | S | S | * | * | trans | -53 | 133.1 | 173.3 | -89.2 | -22.9 | 0 | 0 | 0 | 108.5 | L1936 H1940 | L1936-N1938 PolarHBondContact O-N 3.31Å; N1938-H1940 PolarHBondContact O-N 3.11Å | ||
| 1939 | S | 22.4 | Very low | 25.5 | Very low | 66 Ų | 66 | 110.6 Ų | 110.6 | 46% | 0.462 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -76.2 | 51.8 | -176.5 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | Y1937 H1965 | Y1937-S1939 PolarHBondContact O-N 3.06Å; S1939-H1965 VanDerWaalsContact CB-CE1 3.44Å; S1939-H1965 WeakPolarHBondContact CB-CE1 3.45Å; S1939-H1965 VanDerWaalsContact CB-ND1 3.34Å; S1939-H1965 WeakPolarHBondContact CB-ND1 3.41Å; S1939-H1965 PolarHBondContact OG-ND1 3.12Å |
| 1940 | H | 22.1 | Very low | 25.1 | Very low | 174 Ų | 174 | 116.2 Ų | 116.2 | 81% | 0.806 | 62% | 0.621 | S | S | * | * | trans | -141.6 | 53.6 | 170.6 | -74.2 | -52.8 | 0 | 0 | 0 | 110.2 | N1938 | N1938-H1940 PolarHBondContact O-N 3.11Š| ||
| 1941 | S | 22.3 | Very low | 24.6 | Very low | 68 Ų | 68 | 117.9 Ų | 117.9 | 48% | 0.476 | 63% | 0.632 | S | S | . | * | S | Bend | -67.5 | 143 | 122.2 | 54.2 | 0 | 0 | 0 | 0 | 107.3 | I1943 | S1941-I1943 PolarHBondContact O-N 2.8Š| |
| 1942 | N | 23.1 | Very low | 24.1 | Very low | 159 Ų | 159 | 122.2 Ų | 122.2 | 85% | 0.85 | 65% | 0.651 | S | S | * | * | trans | -59 | 127.7 | 154.1 | -82.2 | -22.7 | 0 | 0 | 0 | 106.2 | N1944 | N1942-N1944 PolarHBondContact O-N 3.16Š| ||
| 1943 | I | 20.6 | Very low | 23.6 | Very low | 155 Ų | 155 | 126 Ų | 126 | 80% | 0.795 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -56.8 | 109.5 | -171.5 | -60.1 | 170.1 | 0 | 0 | 0 | 108.9 | S1941 | S1941-I1943 PolarHBondContact O-N 2.8Š|
| 1944 | N | 22.1 | Very low | 23.2 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | trans | 169.7 | 68 | 152.2 | -85.6 | -24.1 | 0 | 0 | 0 | 111.9 | N1942 | N1942-N1944 PolarHBondContact O-N 3.16Š| ||
| 1945 | T | 22.8 | Very low | 23 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 70% | 0.699 | 69% | 0.692 | S | S | * | * | trans | -116.5 | 104 | 152.9 | 38.7 | 0 | 0 | 0 | 0 | 108.3 | N1947 | T1945-N1947 PolarHBondContact O-N 3.13Š| ||
| 1946 | T | 23.3 | Very low | 22.8 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -75.7 | 89.9 | -173.8 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | K1948 | T1946-K1948 PolarHBondContact O-N 2.87Š| ||
| 1947 | N | 23.2 | Very low | 22.7 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | trans | 14.2 | 101.9 | 137.2 | -71.4 | -25.7 | 0 | 0 | 0 | 116.3 | T1945 P1949 | T1945-N1947 PolarHBondContact O-N 3.13Å; N1947-P1949 HydrophobicContact CB-CG 4.08Å | ||
| 1948 | K | 21.1 | Very low | 22.6 | Very low | 210 Ų | 210 | 130.6 Ų | 130.6 | 91% | 0.913 | 70% | 0.697 | S | S | * | * | -97.6 | 100.9 | 127.2 | -83 | -166.4 | 173.1 | -172.2 | 0 | 106.9 | T1946 | T1946-K1948 PolarHBondContact O-N 2.87Š| |||
| 1949 | P | 22.4 | Very low | 22.6 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 51% | 0.506 | 70% | 0.7 | S | S | . | * | trans | -66.6 | 173.1 | 176.9 | -16.6 | 31.6 | 0 | 0 | 0 | 111.3 | N1947 L1951 | N1947-P1949 HydrophobicContact CB-CG 4.08Å; P1949-L1951 PolarHBondContact O-N 3.38Å | ||
| 1950 | L | 22.5 | Very low | 22.6 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | -63.4 | 89.1 | 153.7 | -110.8 | 78.3 | 0 | 0 | 0 | 108.3 | I1952 | L1950-I1952 PolarHBondContact O-N 2.96Š| ||
| 1951 | L | 22.3 | Very low | 22.5 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 58% | 0.576 | 72% | 0.719 | S | S | * | * | trans | -78.8 | 78.1 | 165.6 | -77.2 | 175.2 | 0 | 0 | 0 | 109 | P1949 Q1954 | P1949-L1951 PolarHBondContact O-N 3.38Å; L1951-Q1954 HydrophobicContact CD2-CG 4.11Å | ||
| 1952 | I | 23.5 | Very low | 22.5 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 59% | 0.59 | 73% | 0.732 | S | S | * | * | trans | -41.3 | 136 | 145.9 | -62.1 | 163 | 0 | 0 | 0 | 107.6 | L1950 Q1954 | L1950-I1952 PolarHBondContact O-N 2.96Å; I1952-Q1954 PolarHBondContact O-N 2.73Å | ||
| 1953 | D | 22.6 | Very low | 22.5 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 65% | 0.647 | 72% | 0.721 | S | S | * | * | trans | -47 | 113.8 | -170.7 | -173.7 | -6.1 | 0 | 0 | 0 | 112 | N1955 I1956 | D1953-N1955 PolarHBondContact O-N 3.28Å; D1953-I1956 PolarHBondContact O-N 2.77Å | ||
| 1954 | Q | 23 | Very low | 22.6 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 66% | 0.659 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 15.4 | -158.4 | -146.8 | 178.5 | 9.8 | 0 | 0 | 113.9 | L1951 I1952 | L1951-Q1954 HydrophobicContact CD2-CG 4.11Å; I1952-Q1954 PolarHBondContact O-N 2.73Å |
| 1955 | N | 22.9 | Very low | 22.8 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -0.3 | 171.1 | -75.9 | -58.7 | 0 | 0 | 0 | 114.1 | D1953 | D1953-N1955 PolarHBondContact O-N 3.28Š|
| 1956 | I | 23.8 | Very low | 22.9 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 72% | 0.723 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -84.2 | 132 | 156.6 | -59.2 | -177.7 | 0 | 0 | 0 | 108 | D1953 | D1953-I1956 PolarHBondContact O-N 2.77Š|
| 1957 | F | 21.9 | Very low | 22.9 | Very low | 133 Ų | 133 | 138 Ų | 138 | 58% | 0.583 | 71% | 0.708 | S | S | * | * | trans | -48.6 | 139 | -162.3 | -82.4 | -101.2 | 0 | 0 | 0 | 115.5 | I1959 | F1957-I1959 PolarHBondContact O-N 2.97Š| ||
| 1958 | P | 22.9 | Very low | 23 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | trans | -71.3 | 111.5 | 177.9 | 29.4 | -34.3 | 0 | 0 | 0 | 111.2 | ||||
| 1959 | I | 23.7 | Very low | 23.2 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 80% | 0.795 | 68% | 0.68 | S | S | * | * | trans | -103.8 | 137.9 | 173.9 | -62.6 | 178.9 | 0 | 0 | 0 | 109.6 | F1957 L1961 | F1957-I1959 PolarHBondContact O-N 2.97Å; I1959-L1961 PolarHBondContact O-N 3.29Å | ||
| 1960 | F | 21.7 | Very low | 23.3 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | trans | -59.5 | 127.2 | -164.5 | -72 | -104 | 0 | 0 | 0 | 114.4 | I1962 | F1960-I1962 HydrophobicContact CB-CG1 4.48Å; F1960-I1962 PolarHBondContact O-N 2.98Å | ||
| 1961 | L | 21.4 | Very low | 23.5 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 84% | 0.843 | 66% | 0.663 | S | S | * | * | trans | -67.2 | 111.3 | 155.4 | -98.5 | 104.2 | 0 | 0 | 0 | 109.2 | I1959 T1963 | I1959-L1961 PolarHBondContact O-N 3.29Å; L1961-T1963 HydrophobicContact CD2-CG2 4.49Å | ||
| 1962 | I | 21.6 | Very low | 23.6 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 75% | 0.749 | 66% | 0.663 | S | S | * | * | trans | -100.9 | 101.7 | 162 | -60.4 | 179.8 | 0 | 0 | 0 | 107.1 | F1960 N1964 | F1960-I1962 HydrophobicContact CB-CG1 4.48Å; F1960-I1962 PolarHBondContact O-N 2.98Å; I1962-N1964 PolarHBondContact O-N 3.06Å | ||
| 1963 | T | 22.5 | Very low | 23.7 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 63% | 0.626 | 66% | 0.655 | S | S | * | * | trans | -70.7 | 112 | -178.8 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | L1961 | L1961-T1963 HydrophobicContact CD2-CG2 4.49Š| ||
| 1964 | N | 23.8 | Very low | 23.9 | Very low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | trans | -132.8 | 114.3 | 168.5 | -121.4 | -23 | 0 | 0 | 0 | 109.1 | I1962 | I1962-N1964 PolarHBondContact O-N 3.06Š| ||
| 1965 | H | 25.1 | Very low | 23.9 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 50% | 0.5 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | 155.6 | -174.2 | -62.4 | -102.8 | 0 | 0 | 0 | 110.5 | S1939 | S1939-H1965 VanDerWaalsContact CB-CE1 3.44Å; S1939-H1965 WeakPolarHBondContact CB-CE1 3.45Å; S1939-H1965 VanDerWaalsContact CB-ND1 3.34Å; S1939-H1965 WeakPolarHBondContact CB-ND1 3.41Å; S1939-H1965 PolarHBondContact OG-ND1 3.12Å |
| 1966 | N | 26.4 | Very low | 24 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 77% | 0.765 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.6 | 12.6 | -177.5 | -49.1 | -27.9 | 0 | 0 | 0 | 117.9 | ||
| 1967 | M | 23.6 | Very low | 24 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | trans | -117.8 | 128.8 | 163.2 | -79 | -68.9 | -99.1 | 0 | 0 | 111.4 | L1936 S1969 | L1936-M1967 WeakPolarHBondContact CD1-O 3.33Å; M1967-S1969 PolarHBondContact O-N 3.18Å | ||
| 1968 | L | 24.5 | Very low | 24.1 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 51% | 0.508 | 66% | 0.657 | S | S | . | * | trans | -89.8 | 94 | -172.1 | -164.5 | 155.3 | 0 | 0 | 0 | 109.3 | L1934 L1936 L1970 | L1934-L1968 HydrophobicContact CB-CD2 4.04Å; L1934-L1968 VanDerWaalsContact O-CD1 3.29Å; L1934-L1968 WeakPolarHBondContact O-CD1 3.45Å; L1934-L1968 VanDerWaalsContact O-CD2 3.22Å; L1934-L1968 WeakPolarHBondContact O-CD2 3.38Å; L1934-L1968 WeakPolarHBondContact O-CG 3.17Å; L1936-L1968 HydrophobicContact CB-CD1 4.32Å; L1936-L1968 HydrophobicContact CB-CG 4.38Å; L1936-L1968 HydrophobicContact CD1-CB 4.21Å; L1968-L1970 PolarHBondContact O-N 3.02Å | ||
| 1969 | S | 24.6 | Very low | 24.2 | Very low | 79 Ų | 79 | 125.3 Ų | 125.3 | 55% | 0.552 | 65% | 0.65 | S | S | * | * | trans | -71.2 | 121.8 | -168.2 | -3.6 | 0 | 0 | 0 | 0 | 113 | M1967 | M1967-S1969 PolarHBondContact O-N 3.18Š| ||
| 1970 | L | 25 | Very low | 24.2 | Very low | 69 Ų | 69 | 123.3 Ų | 123.3 | 36% | 0.361 | 64% | 0.641 | S | S | . | * | trans | -82.3 | 118.3 | 169.8 | -164.5 | 96.1 | 0 | 0 | 0 | 109.5 | I1750 A1931 L1968 I1972 | I1750-L1970 HydrophobicContact CD1-CD2 3.9Å; A1931-L1970 HydrophobicContact CB-CD1 4.4Å; L1968-L1970 PolarHBondContact O-N 3.02Å; L1970-I1972 HydrophobicContact CD2-CG1 4.31Å; L1970-I1972 PolarHBondContact O-N 3.27Å | ||
| 1971 | V | 26.4 | Very low | 24.4 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 52% | 0.521 | 63% | 0.628 | S | S | . | * | trans | -83.6 | 107.8 | 175.6 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | I1973 | V1971-I1973 HydrophobicContact CG1-CG1 3.99Š| ||
| 1972 | I | 25.4 | Very low | 24.6 | Very low | 113 Ų | 113 | 115.7 Ų | 115.7 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | trans | -79.6 | 121.3 | 168.7 | -57.1 | 175.6 | 0 | 0 | 0 | 107.5 | L1970 | L1970-I1972 HydrophobicContact CD2-CG1 4.31Å; L1970-I1972 PolarHBondContact O-N 3.27Å | ||
| 1973 | I | 25.1 | Very low | 24.9 | Very low | 81 Ų | 81 | 113.2 Ų | 113.2 | 42% | 0.415 | 60% | 0.601 | S | S | . | * | trans | -114.3 | 124 | 167.8 | -52.1 | 175.9 | 0 | 0 | 0 | 105 | V1971 | V1971-I1973 HydrophobicContact CG1-CG1 3.99Š| ||
| 1974 | E | 25.8 | Very low | 25.1 | Very low | 180 Ų | 180 | 114.2 Ų | 114.2 | 84% | 0.841 | 60% | 0.598 | S | S | * | * | trans | -66.2 | 0 | -174.1 | -154.3 | 158.3 | -145.2 | 0 | 0 | 112.3 | S1928 | S1928-E1974 PolarHBondContact N-OXT 2.95Å; S1928-E1974 VanDerWaalsContact N-OXT 3.09Å; S1928-E1974 PolarHBondContact OG-OXT 3.43Å; S1928-E1974 VanDerWaalsContact OG-OXT 3.08Å |
Retrieved 1,974 of 1,974 residues in 1067.2 ms
(Link to these results)