| 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 | 64.3 | Low | 84.6 | Confident | 186 Ų | 186 | 39.3 Ų | 39.3 | 92% | 0.916 | 19% | 0.193 | S | C | * | . | 0 | 151.3 | 0 | -65.2 | -167.9 | -162.6 | 0 | 0 | 108.2 | |||||
| 2 | S | 81.9 | Confident | 85 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | trans | -76.4 | 142.1 | 173.8 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | I4 Y5 D637 | S2-I4 PolarHBondContact OG-N 3.26Å; S2-Y5 WeakPolarHBondContact CB-O 3.46Å; S2-Y5 PolarHBondContact OG-N 2.81Å; S2-D637 WeakPolarHBondContact CB-OD2 3.46Å; S2-D637 PolarHBondContact OG-OD2 2.95Å | ||
| 3 | N | 84.8 | Confident | 85.4 | Confident | 99 Ų | 99 | 36.2 Ų | 36.2 | 53% | 0.529 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -80.4 | -29.3 | 175.3 | -72.8 | -23.4 | 0 | 0 | 0 | 111.5 | D637 L679 L681 | N3-D637 PolarHBondContact N-OD2 2.88Å; N3-L679 WeakPolarHBondContact O-CD1 3.37Å; N3-L681 HydrophobicContact CB-CD2 3.83Å |
| 4 | I | 91.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -93.2 | -53.1 | -176.8 | -57.8 | 176.4 | 0 | 0 | 0 | 111.4 | S2 W614 T627 I636 D637 N672 R673 L679 L681 | S2-I4 PolarHBondContact OG-N 3.26Å; I4-W614 HydrophobicContact CD1-CH2 4.04Å; I4-W614 HydrophobicContact CD1-CZ2 4.48Å; I4-W614 HydrophobicContact CD1-CZ3 4.14Å; I4-W614 HydrophobicContact CG2-CH2 4.03Å; I4-W614 HydrophobicContact CG2-CZ3 3.66Å; I4-T627 HydrophobicContact CD1-CG2 4.04Å; I4-I636 HydrophobicContact CD1-CG2 3.9Å; I4-D637 HydrophobicContact CD1-CB 3.65Å; I4-D637 HydrophobicContact CG1-CB 4.05Å; I4-D637 PolarHBondContact N-OD2 3.19Å; I4-D637 VanDerWaalsContact N-OD2 3.09Å; I4-N672 WeakPolarHBondContact CG2-OD1 3.3Å; I4-R673 WeakPolarHBondContact O-CB 3.48Å; I4-R673 PolarHBondContact O-N 3.08Å; I4-L679 HydrophobicContact CG1-CD1 4.3Å; I4-L681 HydrophobicContact CD1-CD1 3.87Å; I4-L681 HydrophobicContact CG1-CD1 3.85Å; I4-L681 HydrophobicContact CG1-CD2 3.93Å |
| 5 | Y | 91.3 | Very high | 86.3 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.4 | -168.9 | -61.5 | -68.7 | 0 | 0 | 0 | 111.9 | S2 V616 T627 F639 L657 W670 D671 N672 | S2-Y5 WeakPolarHBondContact CB-O 3.46Å; S2-Y5 PolarHBondContact OG-N 2.81Å; Y5-V616 VanDerWaalsContact OH-CG2 3.22Å; Y5-V616 WeakPolarHBondContact OH-CG2 3.41Å; Y5-T627 WeakPolarHBondContact CE2-OG1 3.49Å; Y5-F639 AromaticContact CD2-CE1 3.78Å; Y5-F639 HydrophobicContact CD2-CE1 3.78Å; Y5-F639 HydrophobicContact CD2-CZ 4.46Å; Y5-F639 HydrophobicContact CG-CE1 4.44Å; Y5-L657 HydrophobicContact CD1-CB 3.68Å; Y5-L657 HydrophobicContact CD1-CD2 3.72Å; Y5-L657 HydrophobicContact CD1-CG 4.34Å; Y5-L657 HydrophobicContact CD2-CD2 3.95Å; Y5-L657 HydrophobicContact CE1-CB 3.57Å; Y5-L657 HydrophobicContact CE1-CD2 3.83Å; Y5-L657 HydrophobicContact CE1-CG 4.25Å; Y5-L657 HydrophobicContact CE2-CD2 4.03Å; Y5-L657 HydrophobicContact CG-CD2 3.78Å; Y5-W670 HydrophobicContact CD1-CB 4.39Å; Y5-D671 CarbonylContact C-O 3.59Å; Y5-D671 WeakPolarHBondContact CA-O 3.14Å; Y5-N672 HydrophobicContact CD1-CB 4.48Å; Y5-N672 HydrophobicContact CE1-CB 4.33Å |
| 6 | H | 87.8 | Confident | 86.5 | Confident | 31 Ų | 31 | 31.7 Ų | 31.7 | 14% | 0.144 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 136 | 173.6 | -163.1 | 63 | 0 | 0 | 0 | 111.1 | Y8 W670 D671 R673 R702 | H6-Y8 PolarHBondContact O-N 2.78Å; H6-W670 CarbonylContact O-C 3.58Å; H6-W670 VanDerWaalsContact O-CA 3.26Å; H6-W670 WeakPolarHBondContact O-CA 3.08Å; H6-D671 PolarHBondContact N-O 3.27Å; H6-D671 PolarHBondContact O-N 3.1Å; H6-R673 HydrophobicContact CB-CG 4.36Å; H6-R673 PolarHBondContact CE1-NH2 3.15Å; H6-R673 PolarHBondContact ND1-NH2 3.36Å; H6-R702 PolarHBondContact CE1-NH1 2.89Å; H6-R702 PolarHBondContact NE2-NH1 3.36Å |
| 7 | P | 85.2 | Confident | 86.8 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 124.9 | 170.9 | 21.5 | -34.6 | 0 | 0 | 0 | 112.2 | W670 P700 | P7-W670 HydrophobicContact CB-CZ3 4.46Å; P7-P700 VanDerWaalsContact CB-CA 3.43Å; P7-P700 HydrophobicContact CB-CB 3.87Å; P7-P700 HydrophobicContact CB-CG 4.03Å |
| 8 | Y | 83 | Confident | 87.2 | Confident | 52 Ų | 52 | 35 Ų | 35 | 20% | 0.204 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -62.2 | -177.6 | 179.1 | -120.4 | 0 | 0 | 0 | 114.7 | H6 F656 L669 D671 R702 I703 | H6-Y8 PolarHBondContact O-N 2.78Å; Y8-F656 HydrophobicContact CD1-CD1 4.09Å; Y8-F656 AromaticContact CD1-CE1 3.5Å; Y8-F656 HydrophobicContact CD1-CE1 3.5Å; Y8-F656 VanDerWaalsContact CD1-CE1 3.5Å; Y8-F656 HydrophobicContact CD1-CZ 4.3Å; Y8-F656 AromaticContact CE1-CE1 3.57Å; Y8-F656 HydrophobicContact CE1-CE1 3.57Å; Y8-F656 AromaticContact CE1-CZ 3.92Å; Y8-F656 HydrophobicContact CE1-CZ 3.92Å; Y8-F656 HydrophobicContact CG-CE1 4.21Å; Y8-L669 WeakPolarHBondContact CB-O 3.49Å; Y8-L669 HydrophobicContact CD1-CB 4.08Å; Y8-L669 HydrophobicContact CD1-CD1 4.11Å; Y8-L669 HydrophobicContact CE1-CD1 4.43Å; Y8-L669 PolarHBondContact N-O 3.09Å; Y8-D671 HydrophobicContact CG-CB 4.37Å; Y8-R702 CarbonylContact C-O 3.6Å; Y8-R702 CarbonylContact O-C 3.6Å; Y8-I703 VanDerWaalsContact O-CA 3.29Å; Y8-I703 WeakPolarHBondContact O-CA 3.07Å; Y8-I703 PolarHBondContact O-N 3.4Å |
| 9 | R | 82.9 | Confident | 87.5 | Confident | 27 Ų | 27 | 36.4 Ų | 36.4 | 10% | 0.102 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 151.6 | -173.8 | 179.7 | 168.9 | -178.5 | -178.4 | 6.1 | 112.1 | L11 E380 L669 P700 I703 | R9-L11 HydrophobicContact CG-CD2 4.28Å; R9-E380 IonicContact CZ-OE1 3.95Å; R9-E380 VanDerWaalsContact NH2-CD 3.28Å; R9-E380 IonicContact NH2-OE1 2.69Å; R9-E380 PolarHBondContact NH2-OE1 3.45Å; R9-L669 HydrophobicContact CB-CD1 4.2Å; R9-L669 PolarHBondContact N-O 3.46Å; R9-L669 VanDerWaalsContact O-CB 3.3Å; R9-L669 WeakPolarHBondContact O-CB 3.47Å; R9-L669 PolarHBondContact O-N 3.25Å; R9-P700 CarbonylContact C-O 3.58Å; R9-I703 HydrophobicContact CB-CD1 4.49Å; R9-I703 HydrophobicContact CB-CG1 3.89Å; R9-I703 HydrophobicContact CG-CD1 3.78Å; R9-I703 HydrophobicContact CG-CG1 3.74Å |
| 10 | V | 88.4 | Confident | 87.8 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.8 | 163.1 | 179 | 0 | 0 | 0 | 0 | 110.7 | L13 I667 Y668 P700 | V10-L13 HydrophobicContact CB-CD1 4.22Å; V10-L13 HydrophobicContact CG1-CD1 3.46Å; V10-L13 VanDerWaalsContact CG1-CD1 3.46Å; V10-L13 HydrophobicContact CG1-CG 3.66Å; V10-I667 CarbonylContact C-O 3.56Å; V10-I667 WeakPolarHBondContact CA-O 3.15Å; V10-Y668 HydrophobicContact CG2-CD1 3.2Å; V10-Y668 HydrophobicContact CG2-CE1 3.3Å; V10-Y668 HydrophobicContact CG2-CG 3.91Å; V10-P700 WeakPolarHBondContact CG2-O 3.2Å |
| 11 | L | 90.1 | Very high | 88 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 149.4 | 171.5 | -55.5 | -179.9 | 0 | 0 | 0 | 110.7 | R9 F375 T377 G666 I667 L669 | R9-L11 HydrophobicContact CG-CD2 4.28Å; L11-F375 HydrophobicContact CB-CB 4.49Å; L11-F375 HydrophobicContact CD1-CB 4.08Å; L11-T377 HydrophobicContact CD1-CG2 4.39Å; L11-G666 WeakPolarHBondContact O-CA 3.38Å; L11-I667 HydrophobicContact CB-CB 4.37Å; L11-I667 PolarHBondContact N-O 3.29Å; L11-I667 PolarHBondContact O-N 2.81Å; L11-L669 HydrophobicContact CD1-CD1 3.77Å; L11-L669 HydrophobicContact CD1-CD2 4.24Å; L11-L669 HydrophobicContact CD1-CG 4.1Å; L11-L669 HydrophobicContact CD2-CD1 3.93Å; L11-L669 HydrophobicContact CG-CD1 3.73Å; L11-L669 HydrophobicContact CG-CG 4.1Å |
| 12 | G | 88.7 | Confident | 89.3 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 83.2 | 9.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116 | N320 G342 F375 | G12-N320 PolarHBondContact O-ND2 2.75Å; G12-G342 WeakPolarHBondContact O-CA 3.11Å; G12-F375 VanDerWaalsContact CA-CE1 3.45Å |
| 13 | L | 90.9 | Very high | 89.6 | Confident | 33 Ų | 33 | 28.4 Ų | 28.4 | 17% | 0.173 | 15% | 0.153 | C | C | . | . | trans | -96.5 | 119.5 | 169.3 | -61.8 | 178.3 | 0 | 0 | 0 | 110.2 | V10 T37 N42 L665 | V10-L13 HydrophobicContact CB-CD1 4.22Å; V10-L13 HydrophobicContact CG1-CD1 3.46Å; V10-L13 VanDerWaalsContact CG1-CD1 3.46Å; V10-L13 HydrophobicContact CG1-CG 3.66Å; L13-T37 HydrophobicContact CB-CG2 4.39Å; L13-N42 PolarHBondContact O-ND2 3.23Å; L13-L665 HydrophobicContact CD2-CB 3.84Å | ||
| 14 | C | 91.4 | Very high | 89.6 | Confident | 11 Ų | 11 | 29 Ų | 29 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | trans | -121.8 | -35.6 | -175 | -65 | 0 | 0 | 0 | 0 | 112.8 | V35 N320 R340 | C14-V35 VanDerWaalsContact O-CG1 3.29Å; C14-V35 WeakPolarHBondContact O-CG1 3.45Å; C14-N320 WeakPolarHBondContact CA-OD1 3.33Å; C14-N320 PolarHBondContact N-OD1 3.06Å; C14-R340 HydrophobicContact CB-CB 4.35Å | ||
| 15 | S | 92.3 | Very high | 89.2 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | trans | -148 | 157.5 | 173.4 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | G317 N320 C321 | S15-G317 PolarHBondContact OG-O 2.94Å; S15-N320 PolarHBondContact N-OD1 2.75Å; S15-N320 VanDerWaalsContact N-OD1 3.13Å; S15-N320 PolarHBondContact O-OD1 3.39Å; S15-N320 VanDerWaalsContact OG-C 3.29Å; S15-N320 VanDerWaalsContact OG-CA 3.24Å; S15-N320 WeakPolarHBondContact OG-CA 3.38Å; S15-C321 PolarHBondContact OG-N 3.11Å; S15-C321 PolarHBondContact OG-O 3.4Å | ||
| 16 | S | 90.2 | Very high | 88.6 | Confident | 19 Ų | 19 | 35 Ų | 35 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | trans | -114.3 | -166.6 | 168.9 | 59.9 | 0 | 0 | 0 | 0 | 109.3 | V18 P36 I299 | S16-V18 VanDerWaalsContact C-N 3.31Å; S16-V18 PolarHBondContact OG-N 3.34Å; S16-P36 VanDerWaalsContact CB-O 3.31Å; S16-P36 WeakPolarHBondContact CB-O 3.3Å; S16-P36 PolarHBondContact N-O 3.3Å; S16-P36 VanDerWaalsContact N-O 3.08Å; S16-P36 VanDerWaalsContact OG-C 3.3Å; S16-P36 PolarHBondContact OG-O 3.15Å; S16-I299 WeakPolarHBondContact O-CD1 3.29Å | ||
| 17 | D | 91.4 | Very high | 88.1 | Confident | 119 Ų | 119 | 39.5 Ų | 39.5 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -78.4 | -6.9 | 169.3 | 57.4 | -28.3 | 0 | 0 | 0 | 114.2 | I299 T318 | D17-I299 WeakPolarHBondContact O-CG2 3.35Å; D17-T318 HydrophobicContact CB-CG2 4.28Å |
| 18 | V | 93.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -90.2 | 136.5 | -179.2 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | S16 F20 P36 I62 K63 F65 | S16-V18 VanDerWaalsContact C-N 3.31Å; S16-V18 PolarHBondContact OG-N 3.34Å; V18-F20 PolarHBondContact O-N 3.24Å; V18-P36 HydrophobicContact CB-CB 4Å; V18-P36 HydrophobicContact CB-CG 4.05Å; V18-P36 HydrophobicContact CG1-CB 4.24Å; V18-P36 HydrophobicContact CG1-CG 3.85Å; V18-I62 HydrophobicContact CG1-CG2 4.4Å; V18-I62 VanDerWaalsContact CG2-O 3.25Å; V18-I62 WeakPolarHBondContact CG2-O 3.18Å; V18-K63 WeakPolarHBondContact CG2-O 3.49Å; V18-F65 HydrophobicContact CG1-CB 3.95Å |
| 19 | P | 93.5 | Very high | 87.7 | Confident | 61 Ų | 61 | 41.4 Ų | 41.4 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -62.1 | 133.7 | 178.3 | 25.1 | -35.8 | 0 | 0 | 0 | 112.9 | I299 T300 | P19-I299 HydrophobicContact CB-CG2 4.2Å; P19-T300 HydrophobicContact CB-CG2 3.16Å |
| 20 | F | 94.1 | Very high | 87.8 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 7% | 0.066 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 155.1 | 172.8 | 71.5 | -110.2 | 0 | 0 | 0 | 112 | V18 V22 A33 I34 V35 T300 V314 I322 | V18-F20 PolarHBondContact O-N 3.24Å; F20-V22 HydrophobicContact CD2-CG2 3.79Å; F20-V22 HydrophobicContact CE2-CG2 3.45Å; F20-V22 VanDerWaalsContact CE2-CG2 3.45Å; F20-A33 HydrophobicContact CD2-CB 4.38Å; F20-I34 WeakPolarHBondContact CA-O 3.27Å; F20-I34 VanDerWaalsContact CB-O 3.22Å; F20-I34 WeakPolarHBondContact CB-O 3.43Å; F20-V35 HydrophobicContact CB-CB 4.14Å; F20-V35 HydrophobicContact CB-CG1 4.31Å; F20-V35 HydrophobicContact CB-CG2 3.75Å; F20-V35 HydrophobicContact CD1-CG2 4.4Å; F20-V35 HydrophobicContact CG-CG2 4.2Å; F20-T300 WeakPolarHBondContact CD1-OG1 3.36Å; F20-T300 WeakPolarHBondContact CE1-OG1 3.32Å; F20-V314 HydrophobicContact CE1-CG1 4.08Å; F20-V314 HydrophobicContact CE2-CG1 4.27Å; F20-V314 HydrophobicContact CZ-CB 3.97Å; F20-V314 HydrophobicContact CZ-CG1 3.59Å; F20-I322 HydrophobicContact CD1-CD1 4.36Å; F20-I322 HydrophobicContact CE1-CD1 4.32Å |
| 21 | V | 92.3 | Very high | 87.8 | Confident | 25 Ų | 25 | 41 Ų | 41 | 15% | 0.152 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.9 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 109.5 | I34 F65 | V21-I34 PolarHBondContact N-O 2.7Å; V21-I34 PolarHBondContact O-N 2.68Å; V21-F65 HydrophobicContact CB-CD1 4.11Å; V21-F65 HydrophobicContact CB-CE1 4.06Å; V21-F65 HydrophobicContact CG2-CD1 3.59Å; V21-F65 HydrophobicContact CG2-CE1 4.02Å |
| 22 | V | 91.1 | Very high | 87.9 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.9 | 175.2 | -175.7 | 0 | 0 | 0 | 0 | 110 | F20 Y31 Y32 L46 Y302 | F20-V22 HydrophobicContact CD2-CG2 3.79Å; F20-V22 HydrophobicContact CE2-CG2 3.45Å; F20-V22 VanDerWaalsContact CE2-CG2 3.45Å; V22-Y31 HydrophobicContact CG1-CD1 3.89Å; V22-Y31 HydrophobicContact CG1-CG 4.49Å; V22-Y32 CarbonylContact C-O 3.52Å; V22-Y32 VanDerWaalsContact CA-O 3.32Å; V22-Y32 WeakPolarHBondContact CA-O 3.28Å; V22-L46 HydrophobicContact CG1-CD1 4.27Å; V22-Y302 HydrophobicContact CB-CD1 4.3Å; V22-Y302 HydrophobicContact CB-CD2 4.41Å; V22-Y302 HydrophobicContact CB-CE1 4.09Å; V22-Y302 HydrophobicContact CB-CE2 4.21Å; V22-Y302 HydrophobicContact CB-CG 4.44Å; V22-Y302 HydrophobicContact CG1-CD1 4.28Å; V22-Y302 HydrophobicContact CG1-CE1 3.76Å; V22-Y302 HydrophobicContact CG2-CD1 3.73Å; V22-Y302 HydrophobicContact CG2-CD2 4.09Å; V22-Y302 HydrophobicContact CG2-CE1 4.03Å; V22-Y302 HydrophobicContact CG2-CE2 4.36Å; V22-Y302 HydrophobicContact CG2-CG 3.75Å |
| 23 | K | 87.7 | Confident | 88.1 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.9 | 170.5 | -74.6 | -168.4 | 168 | -175 | 0 | 110.3 | Y31 Y32 I34 S67 G69 N70 V71 L72 | K23-Y31 CarbonylContact O-C 3.54Å; K23-Y31 WeakPolarHBondContact O-CA 3.31Å; K23-Y32 PolarHBondContact N-O 3.27Å; K23-Y32 PolarHBondContact O-N 3.29Å; K23-I34 HydrophobicContact CB-CD1 4.4Å; K23-I34 HydrophobicContact CD-CD1 4.02Å; K23-I34 HydrophobicContact CG-CD1 4.01Å; K23-S67 VanDerWaalsContact CE-CB 3.5Å; K23-S67 WeakPolarHBondContact CE-OG 3.13Å; K23-G69 PolarHBondContact NZ-O 3.48Å; K23-N70 PolarHBondContact NZ-O 2.92Å; K23-V71 PolarHBondContact NZ-O 3.14Å; K23-L72 HydrophobicContact CD-CD2 4.17Å; K23-L72 VanDerWaalsContact CE-CD2 3.43Å |
| 24 | Y | 85.7 | Confident | 88.2 | Confident | 112 Ų | 112 | 39.9 Ų | 39.9 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.3 | 168.5 | 179.2 | -108.6 | 0 | 0 | 0 | 108.8 | P26 Y31 | Y24-P26 HydrophobicContact CD1-CG 4.33Å; Y24-P26 HydrophobicContact CE1-CB 4.39Å; Y24-P26 HydrophobicContact CE1-CG 4.27Å; Y24-Y31 AromaticContact CD2-CD1 3.97Å; Y24-Y31 HydrophobicContact CD2-CD1 3.97Å; Y24-Y31 AromaticContact CD2-CD2 3.83Å; Y24-Y31 HydrophobicContact CD2-CD2 3.83Å; Y24-Y31 AromaticContact CD2-CE1 3.73Å; Y24-Y31 HydrophobicContact CD2-CE1 3.73Å; Y24-Y31 AromaticContact CD2-CE2 3.55Å; Y24-Y31 HydrophobicContact CD2-CE2 3.55Å; Y24-Y31 HydrophobicContact CD2-CG 4.02Å; Y24-Y31 AromaticContact CD2-CZ 3.5Å; Y24-Y31 VanDerWaalsContact CD2-CZ 3.5Å; Y24-Y31 HydrophobicContact CE2-CD2 4.3Å; Y24-Y31 AromaticContact CE2-CE2 3.84Å; Y24-Y31 HydrophobicContact CE2-CE2 3.84Å; Y24-Y31 HydrophobicContact CG-CD1 4.41Å; Y24-Y31 HydrophobicContact CG-CE1 4.05Å |
| 25 | I | 82.7 | Confident | 88.4 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 19% | 0.19 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 113 | 175 | -58.7 | -175.8 | 0 | 0 | 0 | 107.5 | N27 S28 S29 A30 Y32 L715 | I25-N27 VanDerWaalsContact C-N 3.33Å; I25-N27 HydrophobicContact CG2-CB 4.38Å; I25-N27 PolarHBondContact O-N 3.47Å; I25-S28 PolarHBondContact O-N 3.17Å; I25-S28 PolarHBondContact O-OG 2.69Å; I25-S29 PolarHBondContact O-N 3.49Å; I25-S29 VanDerWaalsContact O-N 3.16Å; I25-A30 PolarHBondContact N-O 3.31Å; I25-A30 PolarHBondContact O-N 3.37Å; I25-Y32 HydrophobicContact CB-CD2 4.23Å; I25-Y32 HydrophobicContact CB-CE2 3.83Å; I25-Y32 HydrophobicContact CD1-CD1 4.44Å; I25-Y32 HydrophobicContact CD1-CD2 3.67Å; I25-Y32 HydrophobicContact CD1-CE1 4.25Å; I25-Y32 HydrophobicContact CD1-CE2 3.53Å; I25-Y32 HydrophobicContact CD1-CG 4.18Å; I25-Y32 HydrophobicContact CG1-CD2 3.7Å; I25-Y32 HydrophobicContact CG1-CE2 3.71Å; I25-L715 HydrophobicContact CD1-CD2 3.5Å; I25-L715 VanDerWaalsContact CD1-CD2 3.5Å |
| 26 | P | 78.2 | Confident | 88.4 | Confident | 92 Ų | 92 | 39.1 Ų | 39.1 | 60% | 0.597 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -41.5 | -177.5 | -26.8 | 35.1 | 0 | 0 | 0 | 113.4 | Y24 S28 S29 | Y24-P26 HydrophobicContact CD1-CG 4.33Å; Y24-P26 HydrophobicContact CE1-CB 4.39Å; Y24-P26 HydrophobicContact CE1-CG 4.27Å; P26-S28 VanDerWaalsContact C-N 3.32Å; P26-S28 PolarHBondContact O-N 2.86Å; P26-S29 PolarHBondContact O-N 2.93Å; P26-S29 VanDerWaalsContact O-N 3.09Å |
| 27 | N | 78 | Confident | 88.4 | Confident | 125 Ų | 125 | 38.6 Ų | 38.6 | 67% | 0.668 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -39.3 | -176.1 | -66.4 | 4.5 | 0 | 0 | 0 | 112.9 | I25 | I25-N27 VanDerWaalsContact C-N 3.33Å; I25-N27 HydrophobicContact CG2-CB 4.38Å; I25-N27 PolarHBondContact O-N 3.47Å |
| 28 | S | 77.1 | Confident | 88.1 | Confident | 29 Ų | 29 | 34 Ų | 34 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 0.7 | -179.6 | 74.2 | 0 | 0 | 0 | 0 | 112.9 | I25 P26 A30 Y32 | I25-S28 PolarHBondContact O-N 3.17Å; I25-S28 PolarHBondContact O-OG 2.69Å; P26-S28 VanDerWaalsContact C-N 3.32Å; P26-S28 PolarHBondContact O-N 2.86Å; S28-A30 WeakPolarHBondContact O-CB 3.39Å; S28-A30 PolarHBondContact O-N 2.93Å; S28-A30 PolarHBondContact OG-N 3.41Å; S28-Y32 WeakPolarHBondContact OG-CE2 3.36Å; S28-Y32 PolarHBondContact OG-OH 2.62Å |
| 29 | S | 81.2 | Confident | 87.8 | Confident | 78 Ų | 78 | 36.6 Ų | 36.6 | 55% | 0.545 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.1 | 30.6 | -171.7 | 62.8 | 0 | 0 | 0 | 0 | 114.7 | I25 P26 | I25-S29 PolarHBondContact O-N 3.49Å; I25-S29 VanDerWaalsContact O-N 3.16Å; P26-S29 PolarHBondContact O-N 2.93Å; P26-S29 VanDerWaalsContact O-N 3.09Å |
| 30 | A | 85.1 | Confident | 87.6 | Confident | 11 Ų | 11 | 34.2 Ų | 34.2 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 152.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I25 S28 Y32 K45 | I25-A30 PolarHBondContact N-O 3.31Å; I25-A30 PolarHBondContact O-N 3.37Å; S28-A30 WeakPolarHBondContact O-CB 3.39Å; S28-A30 PolarHBondContact O-N 2.93Å; S28-A30 PolarHBondContact OG-N 3.41Å; A30-Y32 HydrophobicContact CB-CE2 3.92Å; A30-Y32 WeakPolarHBondContact O-CD2 3.46Å; A30-Y32 WeakPolarHBondContact O-CE2 3.45Å; A30-K45 HydrophobicContact CB-CG 4.43Å |
| 31 | Y | 89.7 | Confident | 87.5 | Confident | 18 Ų | 18 | 33.5 Ų | 33.5 | 7% | 0.071 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 142.2 | 173.6 | -67 | -94.8 | 0 | 0 | 0 | 110.1 | V22 K23 Y24 L46 I304 P305 G306 | V22-Y31 HydrophobicContact CG1-CD1 3.89Å; V22-Y31 HydrophobicContact CG1-CG 4.49Å; K23-Y31 CarbonylContact O-C 3.54Å; K23-Y31 WeakPolarHBondContact O-CA 3.31Å; Y24-Y31 AromaticContact CD2-CD1 3.97Å; Y24-Y31 HydrophobicContact CD2-CD1 3.97Å; Y24-Y31 AromaticContact CD2-CD2 3.83Å; Y24-Y31 HydrophobicContact CD2-CD2 3.83Å; Y24-Y31 AromaticContact CD2-CE1 3.73Å; Y24-Y31 HydrophobicContact CD2-CE1 3.73Å; Y24-Y31 AromaticContact CD2-CE2 3.55Å; Y24-Y31 HydrophobicContact CD2-CE2 3.55Å; Y24-Y31 HydrophobicContact CD2-CG 4.02Å; Y24-Y31 AromaticContact CD2-CZ 3.5Å; Y24-Y31 VanDerWaalsContact CD2-CZ 3.5Å; Y24-Y31 HydrophobicContact CE2-CD2 4.3Å; Y24-Y31 AromaticContact CE2-CE2 3.84Å; Y24-Y31 HydrophobicContact CE2-CE2 3.84Å; Y24-Y31 HydrophobicContact CG-CD1 4.41Å; Y24-Y31 HydrophobicContact CG-CE1 4.05Å; Y31-L46 WeakPolarHBondContact O-CB 3.5Å; Y31-L46 PolarHBondContact O-N 2.92Å; Y31-I304 HydrophobicContact CD2-CG2 3.76Å; Y31-I304 HydrophobicContact CE2-CG2 3.82Å; Y31-I304 HydrophobicContact CG-CG2 4.31Å; Y31-P305 HydrophobicContact CE1-CG 4.34Å; Y31-P305 WeakPolarHBondContact OH-CG 3.39Å; Y31-G306 VanDerWaalsContact CE2-O 3.22Å; Y31-G306 WeakPolarHBondContact CE2-O 3.45Å |
| 32 | Y | 90.9 | Very high | 87.4 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 5% | 0.051 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.8 | -179.6 | -66 | -108 | 0 | 0 | 0 | 108.2 | V22 K23 I25 S28 A30 I43 Y44 K45 I52 | V22-Y32 CarbonylContact C-O 3.52Å; V22-Y32 VanDerWaalsContact CA-O 3.32Å; V22-Y32 WeakPolarHBondContact CA-O 3.28Å; K23-Y32 PolarHBondContact N-O 3.27Å; K23-Y32 PolarHBondContact O-N 3.29Å; I25-Y32 HydrophobicContact CB-CD2 4.23Å; I25-Y32 HydrophobicContact CB-CE2 3.83Å; I25-Y32 HydrophobicContact CD1-CD1 4.44Å; I25-Y32 HydrophobicContact CD1-CD2 3.67Å; I25-Y32 HydrophobicContact CD1-CE1 4.25Å; I25-Y32 HydrophobicContact CD1-CE2 3.53Å; I25-Y32 HydrophobicContact CD1-CG 4.18Å; I25-Y32 HydrophobicContact CG1-CD2 3.7Å; I25-Y32 HydrophobicContact CG1-CE2 3.71Å; S28-Y32 WeakPolarHBondContact OG-CE2 3.36Å; S28-Y32 PolarHBondContact OG-OH 2.62Å; A30-Y32 HydrophobicContact CB-CE2 3.92Å; A30-Y32 WeakPolarHBondContact O-CD2 3.46Å; A30-Y32 WeakPolarHBondContact O-CE2 3.45Å; Y32-I43 HydrophobicContact CD1-CG2 4.02Å; Y32-Y44 CarbonylContact C-O 3.57Å; Y32-Y44 VanDerWaalsContact CA-O 3.31Å; Y32-Y44 WeakPolarHBondContact CA-O 3.48Å; Y32-K45 HydrophobicContact CE1-CG 4.44Å; Y32-I52 HydrophobicContact CD1-CD1 3.22Å; Y32-I52 HydrophobicContact CE1-CD1 3.14Å; Y32-I52 HydrophobicContact CE1-CG1 4.42Å |
| 33 | A | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F20 V35 Y44 L46 I322 | F20-A33 HydrophobicContact CD2-CB 4.38Å; A33-V35 HydrophobicContact CB-CG2 4.4Å; A33-Y44 PolarHBondContact N-O 3.32Å; A33-Y44 PolarHBondContact O-N 2.83Å; A33-L46 HydrophobicContact CB-CD1 4.01Å; A33-L46 HydrophobicContact CB-CD2 4.14Å; A33-L46 HydrophobicContact CB-CG 4.06Å; A33-I322 HydrophobicContact CB-CD1 4.43Å |
| 34 | I | 94.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 106.9 | -178.6 | -55.7 | 153.5 | 0 | 0 | 0 | 108.1 | F20 V21 K23 F41 N42 I43 F65 L72 | F20-I34 WeakPolarHBondContact CA-O 3.27Å; F20-I34 VanDerWaalsContact CB-O 3.22Å; F20-I34 WeakPolarHBondContact CB-O 3.43Å; V21-I34 PolarHBondContact N-O 2.7Å; V21-I34 PolarHBondContact O-N 2.68Å; K23-I34 HydrophobicContact CB-CD1 4.4Å; K23-I34 HydrophobicContact CD-CD1 4.02Å; K23-I34 HydrophobicContact CG-CD1 4.01Å; I34-F41 HydrophobicContact CG2-CB 4.28Å; I34-F41 HydrophobicContact CG2-CD2 3.21Å; I34-F41 HydrophobicContact CG2-CE2 3.64Å; I34-F41 HydrophobicContact CG2-CG 3.96Å; I34-N42 CarbonylContact C-O 3.56Å; I34-N42 WeakPolarHBondContact CA-O 3.44Å; I34-I43 HydrophobicContact CG1-CG1 4.48Å; I34-I43 HydrophobicContact CG1-CG2 4.29Å; I34-I43 HydrophobicContact CG2-CG1 4.48Å; I34-F65 HydrophobicContact CB-CE1 4.05Å; I34-F65 HydrophobicContact CB-CZ 4.49Å; I34-F65 HydrophobicContact CG2-CE1 3.58Å; I34-F65 HydrophobicContact CG2-CZ 3.59Å; I34-L72 HydrophobicContact CD1-CD1 3.64Å; I34-L72 HydrophobicContact CD1-CD2 3.78Å; I34-L72 HydrophobicContact CD1-CG 4.28Å; I34-L72 HydrophobicContact CG1-CD1 4.42Å; I34-L72 HydrophobicContact CG2-CD1 4.02Å |
| 35 | V | 94.4 | Very high | 88 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.8 | -164.9 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | C14 F20 A33 F41 N42 Y44 I322 | C14-V35 VanDerWaalsContact O-CG1 3.29Å; C14-V35 WeakPolarHBondContact O-CG1 3.45Å; F20-V35 HydrophobicContact CB-CB 4.14Å; F20-V35 HydrophobicContact CB-CG1 4.31Å; F20-V35 HydrophobicContact CB-CG2 3.75Å; F20-V35 HydrophobicContact CD1-CG2 4.4Å; F20-V35 HydrophobicContact CG-CG2 4.2Å; A33-V35 HydrophobicContact CB-CG2 4.4Å; V35-F41 CarbonylContact O-C 3.52Å; V35-F41 VanDerWaalsContact O-CA 3.23Å; V35-F41 WeakPolarHBondContact O-CA 3.48Å; V35-F41 WeakPolarHBondContact O-CB 3.45Å; V35-N42 PolarHBondContact N-O 3.31Å; V35-N42 PolarHBondContact O-N 2.91Å; V35-Y44 HydrophobicContact CB-CD2 4.37Å; V35-Y44 HydrophobicContact CB-CE2 4.23Å; V35-Y44 HydrophobicContact CG2-CD2 3.77Å; V35-Y44 HydrophobicContact CG2-CE2 4.05Å; V35-I322 HydrophobicContact CG2-CD1 3.62Å |
| 36 | P | 93.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 137.4 | 171.9 | -20.9 | 33.6 | 0 | 0 | 0 | 111.7 | S16 V18 F41 I62 F65 | S16-P36 VanDerWaalsContact CB-O 3.31Å; S16-P36 WeakPolarHBondContact CB-O 3.3Å; S16-P36 PolarHBondContact N-O 3.3Å; S16-P36 VanDerWaalsContact N-O 3.08Å; S16-P36 VanDerWaalsContact OG-C 3.3Å; S16-P36 PolarHBondContact OG-O 3.15Å; V18-P36 HydrophobicContact CB-CB 4Å; V18-P36 HydrophobicContact CB-CG 4.05Å; V18-P36 HydrophobicContact CG1-CB 4.24Å; V18-P36 HydrophobicContact CG1-CG 3.85Å; P36-F41 HydrophobicContact CB-CB 4.46Å; P36-I62 HydrophobicContact CB-CB 4.47Å; P36-I62 HydrophobicContact CB-CD1 4.27Å; P36-I62 HydrophobicContact CB-CG2 4.39Å; P36-F65 HydrophobicContact CG-CB 3.91Å; P36-F65 HydrophobicContact CG-CD1 3.89Å; P36-F65 HydrophobicContact CG-CD2 4.47Å; P36-F65 HydrophobicContact CG-CG 3.85Å |
| 37 | T | 89.3 | Confident | 88.9 | Confident | 9 Ų | 9 | 23.7 Ų | 23.7 | 6% | 0.055 | 14% | 0.135 | C | C | . | . | trans | -132.1 | 35.2 | -175.9 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | L13 R40 N42 | L13-T37 HydrophobicContact CB-CG2 4.39Å; T37-R40 PolarHBondContact N-O 2.81Å; T37-R40 PolarHBondContact OG1-O 3.37Å; T37-N42 HydrophobicContact CG2-CB 4.48Å | ||
| 38 | G | 86.2 | Confident | 89.4 | Confident | 23 Ų | 23 | 25.8 Ų | 25.8 | 24% | 0.237 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 106.7 | -120.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R40 I62 | G38-R40 PolarHBondContact O-N 2.84Å; G38-I62 WeakPolarHBondContact O-CB 3.17Å; G38-I62 WeakPolarHBondContact O-CG1 3.49Å; G38-I62 PolarHBondContact O-N 3.38Å |
| 39 | E | 86.6 | Confident | 90.1 | Very high | 57 Ų | 57 | 24.4 Ų | 24.4 | 27% | 0.266 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -70.7 | -7.5 | 179.1 | -69.6 | 156.4 | -154 | 0 | 0 | 114.4 | L58 T701 | E39-L58 WeakPolarHBondContact O-CB 3.17Å; E39-L58 WeakPolarHBondContact O-CG 3.33Å; E39-L58 PolarHBondContact O-N 3.25Å; E39-T701 HydrophobicContact CB-CG2 4.21Å; E39-T701 WeakPolarHBondContact OE2-CG2 3.27Å; E39-T701 PolarHBondContact OE2-OG1 2.76Å |
| 40 | R | 87.9 | Confident | 90.6 | Very high | 12 Ų | 12 | 23.4 Ų | 23.4 | 5% | 0.045 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -141 | 176 | -176.8 | 63.3 | -179.6 | 135.9 | -159.1 | -14.8 | 110.2 | T37 G38 S55 P700 T701 | T37-R40 PolarHBondContact N-O 2.81Å; T37-R40 PolarHBondContact OG1-O 3.37Å; G38-R40 PolarHBondContact O-N 2.84Å; R40-S55 WeakPolarHBondContact CA-OG 3.35Å; R40-S55 WeakPolarHBondContact CB-OG 3.39Å; R40-P700 PolarHBondContact NH2-O 3.27Å; R40-T701 PolarHBondContact NH1-O 2.87Å |
| 41 | F | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 149.2 | 170.9 | 57.6 | -97.3 | 0 | 0 | 0 | 111.7 | I34 V35 P36 S54 S55 I62 F65 L72 F83 S86 | I34-F41 HydrophobicContact CG2-CB 4.28Å; I34-F41 HydrophobicContact CG2-CD2 3.21Å; I34-F41 HydrophobicContact CG2-CE2 3.64Å; I34-F41 HydrophobicContact CG2-CG 3.96Å; V35-F41 CarbonylContact O-C 3.52Å; V35-F41 VanDerWaalsContact O-CA 3.23Å; V35-F41 WeakPolarHBondContact O-CA 3.48Å; V35-F41 WeakPolarHBondContact O-CB 3.45Å; P36-F41 HydrophobicContact CB-CB 4.46Å; F41-S54 CarbonylContact O-C 3.57Å; F41-S54 VanDerWaalsContact O-CA 3.31Å; F41-S54 WeakPolarHBondContact O-CA 3.29Å; F41-S55 WeakPolarHBondContact CD1-OG 3.46Å; F41-S55 PolarHBondContact N-OG 2.69Å; F41-S55 PolarHBondContact O-N 3.08Å; F41-I62 HydrophobicContact CB-CD1 4.41Å; F41-I62 HydrophobicContact CD1-CD1 3.93Å; F41-F65 HydrophobicContact CB-CZ 4.47Å; F41-F65 AromaticContact CD1-CE2 3.61Å; F41-F65 HydrophobicContact CD1-CE2 3.61Å; F41-F65 AromaticContact CD1-CZ 3.88Å; F41-F65 HydrophobicContact CD1-CZ 3.88Å; F41-F65 HydrophobicContact CD2-CZ 4.11Å; F41-F65 AromaticContact CE1-CE2 3.74Å; F41-F65 HydrophobicContact CE1-CE2 3.74Å; F41-F65 HydrophobicContact CE1-CZ 4.06Å; F41-F65 HydrophobicContact CE2-CZ 4.22Å; F41-F65 HydrophobicContact CG-CE2 4.09Å; F41-F65 AromaticContact CG-CZ 3.9Å; F41-F65 HydrophobicContact CG-CZ 3.9Å; F41-F65 HydrophobicContact CZ-CE2 4.29Å; F41-F65 HydrophobicContact CZ-CZ 4.21Å; F41-L72 HydrophobicContact CE2-CD1 3.76Å; F41-L72 HydrophobicContact CZ-CD1 3.91Å; F41-F83 HydrophobicContact CE1-CD1 4.01Å; F41-F83 AromaticContact CE1-CD2 3.83Å; F41-F83 HydrophobicContact CE1-CD2 3.83Å; F41-F83 HydrophobicContact CE1-CE1 4.02Å; F41-F83 AromaticContact CE1-CE2 3.85Å; F41-F83 HydrophobicContact CE1-CE2 3.85Å; F41-F83 AromaticContact CE1-CG 3.9Å; F41-F83 HydrophobicContact CE1-CG 3.9Å; F41-F83 AromaticContact CE1-CZ 3.92Å; F41-F83 HydrophobicContact CE1-CZ 3.92Å; F41-F83 HydrophobicContact CZ-CB 4.2Å; F41-F83 HydrophobicContact CZ-CD1 4.03Å; F41-F83 HydrophobicContact CZ-CD2 4.27Å; F41-F83 HydrophobicContact CZ-CE1 4.43Å; F41-F83 AromaticContact CZ-CG 3.92Å; F41-F83 HydrophobicContact CZ-CG 3.92Å; F41-S86 WeakPolarHBondContact CE2-O 3.45Å |
| 42 | N | 91.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 141.8 | 179.2 | -72.9 | -11.3 | 0 | 0 | 0 | 110.6 | L13 I34 V35 T37 Y44 L51 S54 | L13-N42 PolarHBondContact O-ND2 3.23Å; I34-N42 CarbonylContact C-O 3.56Å; I34-N42 WeakPolarHBondContact CA-O 3.44Å; V35-N42 PolarHBondContact N-O 3.31Å; V35-N42 PolarHBondContact O-N 2.91Å; T37-N42 HydrophobicContact CG2-CB 4.48Å; N42-Y44 HydrophobicContact CB-CD2 4.41Å; N42-Y44 HydrophobicContact CB-CE2 3.69Å; N42-Y44 PolarHBondContact ND2-OH 2.96Å; N42-L51 HydrophobicContact CB-CD1 3.71Å; N42-S54 PolarHBondContact OD1-OG 3.36Å |
| 43 | I | 92.5 | Very high | 90.4 | Very high | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.046 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.7 | 178.4 | -48.8 | 170.3 | 0 | 0 | 0 | 109.1 | Y32 I34 I52 G53 S86 R87 | Y32-I43 HydrophobicContact CD1-CG2 4.02Å; I34-I43 HydrophobicContact CG1-CG1 4.48Å; I34-I43 HydrophobicContact CG1-CG2 4.29Å; I34-I43 HydrophobicContact CG2-CG1 4.48Å; I43-I52 HydrophobicContact CG2-CD1 4.18Å; I43-I52 PolarHBondContact O-N 2.82Å; I43-G53 PolarHBondContact N-O 3.43Å; I43-S86 VanDerWaalsContact CD1-O 3.23Å; I43-S86 WeakPolarHBondContact CD1-O 3.36Å; I43-R87 HydrophobicContact CD1-CG 3.9Å |
| 44 | Y | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 131.2 | 179.1 | -64.9 | -71.3 | 0 | 0 | 0 | 111.8 | Y32 A33 V35 N42 L49 T50 L51 R340 | Y32-Y44 CarbonylContact C-O 3.57Å; Y32-Y44 VanDerWaalsContact CA-O 3.31Å; Y32-Y44 WeakPolarHBondContact CA-O 3.48Å; A33-Y44 PolarHBondContact N-O 3.32Å; A33-Y44 PolarHBondContact O-N 2.83Å; V35-Y44 HydrophobicContact CB-CD2 4.37Å; V35-Y44 HydrophobicContact CB-CE2 4.23Å; V35-Y44 HydrophobicContact CG2-CD2 3.77Å; V35-Y44 HydrophobicContact CG2-CE2 4.05Å; N42-Y44 HydrophobicContact CB-CD2 4.41Å; N42-Y44 HydrophobicContact CB-CE2 3.69Å; N42-Y44 PolarHBondContact ND2-OH 2.96Å; Y44-L49 HydrophobicContact CG-CD2 4.47Å; Y44-T50 CarbonylContact C-O 3.54Å; Y44-T50 VanDerWaalsContact CA-O 3.32Å; Y44-T50 WeakPolarHBondContact CA-O 3.5Å; Y44-L51 HydrophobicContact CD1-CB 4.12Å; Y44-L51 HydrophobicContact CD1-CD1 4.15Å; Y44-L51 HydrophobicContact CE1-CB 3.86Å; Y44-L51 HydrophobicContact CE1-CD1 3.7Å; Y44-L51 HydrophobicContact CE1-CG 4.39Å; Y44-R340 HydrophobicContact CE1-CG 4.3Å |
| 45 | K | 91.4 | Very high | 89.8 | Confident | 73 Ų | 73 | 28.5 Ų | 28.5 | 32% | 0.317 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 128.2 | 168.9 | -155.6 | 174.7 | 176.7 | 168 | 0 | 109.3 | A30 Y32 L49 T50 I52 | A30-K45 HydrophobicContact CB-CG 4.43Å; Y32-K45 HydrophobicContact CE1-CG 4.44Å; K45-L49 VanDerWaalsContact O-CA 3.28Å; K45-L49 WeakPolarHBondContact O-CA 3.42Å; K45-L49 PolarHBondContact O-N 2.92Å; K45-T50 WeakPolarHBondContact CB-OG1 3.39Å; K45-T50 PolarHBondContact N-O 2.92Å; K45-T50 PolarHBondContact O-N 3.38Å; K45-I52 HydrophobicContact CB-CD1 3.69Å; K45-I52 HydrophobicContact CB-CG1 4.3Å; K45-I52 HydrophobicContact CG-CD1 4.36Å |
| 46 | L | 90.9 | Very high | 89.2 | Confident | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 149.3 | 172.5 | -64.1 | 173.5 | 0 | 0 | 0 | 110.4 | V22 Y31 A33 L49 I304 V314 V324 | V22-L46 HydrophobicContact CG1-CD1 4.27Å; Y31-L46 WeakPolarHBondContact O-CB 3.5Å; Y31-L46 PolarHBondContact O-N 2.92Å; A33-L46 HydrophobicContact CB-CD1 4.01Å; A33-L46 HydrophobicContact CB-CD2 4.14Å; A33-L46 HydrophobicContact CB-CG 4.06Å; L46-L49 HydrophobicContact CD2-CD2 3.71Å; L46-I304 HydrophobicContact CB-CD1 3.98Å; L46-I304 HydrophobicContact CD1-CD1 4.09Å; L46-I304 HydrophobicContact CD1-CG1 4.48Å; L46-V314 HydrophobicContact CD1-CG2 3.85Å; L46-V314 HydrophobicContact CD2-CG1 4.09Å; L46-V314 HydrophobicContact CD2-CG2 3.76Å; L46-V314 HydrophobicContact CG-CG2 4.43Å; L46-V324 HydrophobicContact CD2-CG2 4.07Å |
| 47 | P | 88.9 | Confident | 88.7 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 13% | 0.13 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -85.4 | -10.5 | 2.1 | 32.8 | -34.9 | 0 | 0 | 0 | 114.6 | L49 V324 Y326 Y338 | P47-L49 VanDerWaalsContact C-N 3.28Å; P47-L49 PolarHBondContact O-N 2.89Å; P47-V324 HydrophobicContact CB-CG1 4.31Å; P47-V324 WeakPolarHBondContact O-CG2 3.34Å; P47-Y326 WeakPolarHBondContact CB-OH 3.1Å; P47-Y338 HydrophobicContact CB-CD2 4.49Å; P47-Y338 HydrophobicContact CB-CE2 4.42Å; P47-Y338 WeakPolarHBondContact O-CD2 3.22Å |
| 48 | R | 89.4 | Confident | 88.5 | Confident | 169 Ų | 169 | 33.7 Ų | 33.7 | 64% | 0.638 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -9.8 | -168.6 | -66.2 | -175.5 | -180 | 178.8 | 1.9 | 115.6 | T50 Y338 | R48-T50 VanDerWaalsContact C-N 3.31Å; R48-T50 HydrophobicContact CB-CG2 4.01Å; R48-T50 PolarHBondContact O-N 3.17Å; R48-Y338 HydrophobicContact CB-CE1 4.43Å; R48-Y338 HydrophobicContact CG-CE1 4.22Å; R48-Y338 HydrophobicContact CG-CE2 4.39Å |
| 49 | L | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 46.3 | -172.6 | -61.7 | 173.2 | 0 | 0 | 0 | 112.5 | Y44 K45 L46 P47 I322 V324 R340 | Y44-L49 HydrophobicContact CG-CD2 4.47Å; K45-L49 VanDerWaalsContact O-CA 3.28Å; K45-L49 WeakPolarHBondContact O-CA 3.42Å; K45-L49 PolarHBondContact O-N 2.92Å; L46-L49 HydrophobicContact CD2-CD2 3.71Å; P47-L49 VanDerWaalsContact C-N 3.28Å; P47-L49 PolarHBondContact O-N 2.89Å; L49-I322 HydrophobicContact CD1-CG1 4.42Å; L49-I322 HydrophobicContact CD1-CG2 4.2Å; L49-I322 HydrophobicContact CD2-CD1 3.88Å; L49-I322 HydrophobicContact CD2-CG1 4Å; L49-I322 HydrophobicContact CD2-CG2 4.38Å; L49-V324 HydrophobicContact CD1-CG2 3.85Å; L49-V324 HydrophobicContact CD2-CG2 3.97Å; L49-V324 HydrophobicContact CG-CG2 3.72Å; L49-R340 HydrophobicContact CB-CG 3.94Å; L49-R340 HydrophobicContact CD1-CG 4.25Å; L49-R340 PolarHBondContact O-NE 3.42Å; L49-R340 PolarHBondContact O-NH2 2.79Å |
| 50 | T | 90.3 | Very high | 88.3 | Confident | 58 Ų | 58 | 38.5 Ų | 38.5 | 36% | 0.356 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.6 | 171.8 | 54.6 | 0 | 0 | 0 | 0 | 108.8 | Y44 K45 R48 I52 | Y44-T50 CarbonylContact C-O 3.54Å; Y44-T50 VanDerWaalsContact CA-O 3.32Å; Y44-T50 WeakPolarHBondContact CA-O 3.5Å; K45-T50 WeakPolarHBondContact CB-OG1 3.39Å; K45-T50 PolarHBondContact N-O 2.92Å; K45-T50 PolarHBondContact O-N 3.38Å; R48-T50 VanDerWaalsContact C-N 3.31Å; R48-T50 HydrophobicContact CB-CG2 4.01Å; R48-T50 PolarHBondContact O-N 3.17Å; T50-I52 PolarHBondContact O-N 3.03Å |
| 51 | L | 89.2 | Confident | 88.3 | Confident | 44 Ų | 44 | 41.7 Ų | 41.7 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 125.4 | 174.1 | -177 | 73.2 | 0 | 0 | 0 | 108.6 | N42 Y44 E380 | N42-L51 HydrophobicContact CB-CD1 3.71Å; Y44-L51 HydrophobicContact CD1-CB 4.12Å; Y44-L51 HydrophobicContact CD1-CD1 4.15Å; Y44-L51 HydrophobicContact CE1-CB 3.86Å; Y44-L51 HydrophobicContact CE1-CD1 3.7Å; Y44-L51 HydrophobicContact CE1-CG 4.39Å; L51-E380 HydrophobicContact CD2-CG 4.28Å; L51-E380 VanDerWaalsContact CD2-OE1 3.31Å; L51-E380 WeakPolarHBondContact CD2-OE1 3.22Å; L51-E380 WeakPolarHBondContact CD2-OE2 3.19Å |
| 52 | I | 88.6 | Confident | 88.4 | Confident | 59 Ų | 59 | 42 Ų | 42 | 30% | 0.303 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -35.7 | 177.6 | -66 | 150.1 | 0 | 0 | 0 | 110.3 | Y32 I43 K45 T50 R87 | Y32-I52 HydrophobicContact CD1-CD1 3.22Å; Y32-I52 HydrophobicContact CE1-CD1 3.14Å; Y32-I52 HydrophobicContact CE1-CG1 4.42Å; I43-I52 HydrophobicContact CG2-CD1 4.18Å; I43-I52 PolarHBondContact O-N 2.82Å; K45-I52 HydrophobicContact CB-CD1 3.69Å; K45-I52 HydrophobicContact CB-CG1 4.3Å; K45-I52 HydrophobicContact CG-CD1 4.36Å; T50-I52 PolarHBondContact O-N 3.03Å; I52-R87 VanDerWaalsContact C-NH2 3.31Å; I52-R87 VanDerWaalsContact CG2-NH2 3.3Å; I52-R87 PolarHBondContact O-NH2 3.15Å |
| 53 | G | 84.6 | Confident | 88.5 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | 177.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I43 | I43-G53 PolarHBondContact N-O 3.43Å |
| 54 | S | 85.7 | Confident | 88.5 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 158.3 | 176.5 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | F41 N42 | F41-S54 CarbonylContact O-C 3.57Å; F41-S54 VanDerWaalsContact O-CA 3.31Å; F41-S54 WeakPolarHBondContact O-CA 3.29Å; N42-S54 PolarHBondContact OD1-OG 3.36Å |
| 55 | S | 88.4 | Confident | 88.6 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 167 | 176.3 | 71.6 | 0 | 0 | 0 | 0 | 112.9 | R40 F41 | R40-S55 WeakPolarHBondContact CA-OG 3.35Å; R40-S55 WeakPolarHBondContact CB-OG 3.39Å; F41-S55 WeakPolarHBondContact CD1-OG 3.46Å; F41-S55 PolarHBondContact N-OG 2.69Å; F41-S55 PolarHBondContact O-N 3.08Å |
| 56 | D | 82.9 | Confident | 88.6 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -57.1 | 145.7 | 161.8 | -62.7 | -26.5 | 0 | 0 | 0 | 110.3 | F83 R87 Y88 L89 | D56-F83 HydrophobicContact CB-CE1 4.4Å; D56-R87 PolarHBondContact N-O 3.18Å; D56-Y88 WeakPolarHBondContact OD2-CA 3.39Å; D56-L89 PolarHBondContact OD2-N 3.01Å |
| 57 | P | 82.5 | Confident | 88.6 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -73.9 | 141.2 | 178.2 | 32.5 | -36.6 | 0 | 0 | 0 | 111.9 | T701 | P57-T701 HydrophobicContact CB-CG2 3.32Å; P57-T701 HydrophobicContact CG-CG2 4.4Å |
| 58 | L | 86 | Confident | 88.5 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -90.3 | 161.5 | 168 | -60.7 | -176.2 | 0 | 0 | 0 | 110.9 | E39 F60 I62 A74 Y81 F83 | E39-L58 WeakPolarHBondContact O-CB 3.17Å; E39-L58 WeakPolarHBondContact O-CG 3.33Å; E39-L58 PolarHBondContact O-N 3.25Å; L58-F60 WeakPolarHBondContact CB-O 3.43Å; L58-F60 PolarHBondContact O-N 3.36Å; L58-I62 HydrophobicContact CD1-CD1 4.25Å; L58-I62 HydrophobicContact CD1-CG1 3.55Å; L58-A74 HydrophobicContact CD1-CB 4.28Å; L58-Y81 HydrophobicContact CD1-CD2 3.91Å; L58-Y81 HydrophobicContact CD1-CE2 4.36Å; L58-Y81 HydrophobicContact CD1-CG 4.22Å; L58-Y81 HydrophobicContact CD2-CD1 3.5Å; L58-Y81 HydrophobicContact CD2-CD2 3.91Å; L58-Y81 HydrophobicContact CD2-CE1 3.89Å; L58-Y81 HydrophobicContact CD2-CE2 4.28Å; L58-Y81 HydrophobicContact CD2-CG 3.5Å; L58-F83 HydrophobicContact CD2-CE2 4.16Å; L58-F83 HydrophobicContact CD2-CZ 3.63Å; L58-F83 HydrophobicContact CG-CZ 4.17Å |
| 59 | E | 81 | Confident | 88.2 | Confident | 112 Ų | 112 | 36.3 Ų | 36.3 | 52% | 0.523 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -67.1 | -25.5 | 177.5 | -66.2 | 170.5 | -164.7 | 0 | 0 | 112.8 | R92 | E59-R92 IonicContact OE1-CZ 2.62Å; E59-R92 IonicContact OE1-NH1 2.6Å; E59-R92 PolarHBondContact OE1-NH1 2.6Å; E59-R92 IonicContact OE1-NH2 3.64Å |
| 60 | F | 86.3 | Confident | 87.8 | Confident | 69 Ų | 69 | 42.8 Ų | 42.8 | 30% | 0.303 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -140.6 | 158.9 | -177.3 | -63.5 | -65.6 | 0 | 0 | 0 | 109.7 | L58 S76 R77 | L58-F60 WeakPolarHBondContact CB-O 3.43Å; L58-F60 PolarHBondContact O-N 3.36Å; F60-S76 VanDerWaalsContact C-OG 3.27Å; F60-S76 WeakPolarHBondContact CB-OG 3.31Å; F60-S76 PolarHBondContact O-OG 3.41Å; F60-S76 VanDerWaalsContact O-OG 3.1Å; F60-R77 HydrophobicContact CB-CG 4.31Å; F60-R77 HydrophobicContact CD2-CG 4.23Å; F60-R77 HydrophobicContact CG-CG 4.26Å; F60-R77 VanDerWaalsContact CZ-CZ 3.42Å |
| 61 | P | 89.2 | Confident | 87.8 | Confident | 78 Ų | 78 | 41.7 Ų | 41.7 | 51% | 0.506 | 23% | 0.233 | S | C | . | . | trans | -59.7 | 141.7 | 179.1 | 23.4 | -34.2 | 0 | 0 | 0 | 112 | K63 S76 | P61-K63 PolarHBondContact O-N 3.22Å; P61-S76 WeakPolarHBondContact O-CB 3.43Å; P61-S76 PolarHBondContact O-OG 2.73Å | ||
| 62 | I | 93.1 | Very high | 87.9 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | trans | -63.9 | 131.5 | 174.5 | -62.1 | 166.9 | 0 | 0 | 0 | 108 | V18 P36 G38 F41 L58 C64 F65 A74 | V18-I62 HydrophobicContact CG1-CG2 4.4Å; V18-I62 VanDerWaalsContact CG2-O 3.25Å; V18-I62 WeakPolarHBondContact CG2-O 3.18Å; P36-I62 HydrophobicContact CB-CB 4.47Å; P36-I62 HydrophobicContact CB-CD1 4.27Å; P36-I62 HydrophobicContact CB-CG2 4.39Å; G38-I62 WeakPolarHBondContact O-CB 3.17Å; G38-I62 WeakPolarHBondContact O-CG1 3.49Å; G38-I62 PolarHBondContact O-N 3.38Å; F41-I62 HydrophobicContact CB-CD1 4.41Å; F41-I62 HydrophobicContact CD1-CD1 3.93Å; L58-I62 HydrophobicContact CD1-CD1 4.25Å; L58-I62 HydrophobicContact CD1-CG1 3.55Å; I62-C64 WeakPolarHBondContact CG2-O 3.32Å; I62-F65 HydrophobicContact CG2-CB 4.26Å; I62-F65 HydrophobicContact CG2-CD2 4.47Å; I62-A74 HydrophobicContact CD1-CB 4.33Å; I62-A74 HydrophobicContact CG1-CB 4.24Å; I62-A74 HydrophobicContact CG2-CB 4.15Å | ||
| 63 | K | 93.5 | Very high | 88.1 | Confident | 82 Ų | 82 | 36.8 Ų | 36.8 | 36% | 0.357 | 21% | 0.208 | S | C | . | . | trans | -102.8 | -37.7 | 176 | -173.5 | 170.1 | 175.7 | 177.8 | 0 | 112.2 | V18 P61 A75 I99 I100 E116 | V18-K63 WeakPolarHBondContact CG2-O 3.49Å; P61-K63 PolarHBondContact O-N 3.22Å; K63-A75 PolarHBondContact N-O 3.3Å; K63-I99 HydrophobicContact CD-CG2 3.46Å; K63-I99 VanDerWaalsContact CD-CG2 3.46Å; K63-I100 WeakPolarHBondContact CD-O 3.44Å; K63-E116 IonicContact NZ-OE1 2.79Å; K63-E116 PolarHBondContact NZ-OE1 3.05Å | ||
| 64 | C | 92.8 | Very high | 88.6 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.054 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 153.2 | 174.6 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | I62 A75 T101 | I62-C64 WeakPolarHBondContact CG2-O 3.32Å; C64-A75 PolarHBondContact O-N 2.76Å; C64-A75 VanDerWaalsContact SG-CB 3.59Å; C64-T101 WeakPolarHBondContact CB-O 3.42Å |
| 65 | F | 94 | Very high | 89 | Confident | 12 Ų | 12 | 34.9 Ų | 34.9 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 134.1 | -166.6 | -168 | -113.6 | 0 | 0 | 0 | 110.5 | V18 V21 I34 P36 F41 I62 L72 A74 | V18-F65 HydrophobicContact CG1-CB 3.95Å; V21-F65 HydrophobicContact CB-CD1 4.11Å; V21-F65 HydrophobicContact CB-CE1 4.06Å; V21-F65 HydrophobicContact CG2-CD1 3.59Å; V21-F65 HydrophobicContact CG2-CE1 4.02Å; I34-F65 HydrophobicContact CB-CE1 4.05Å; I34-F65 HydrophobicContact CB-CZ 4.49Å; I34-F65 HydrophobicContact CG2-CE1 3.58Å; I34-F65 HydrophobicContact CG2-CZ 3.59Å; P36-F65 HydrophobicContact CG-CB 3.91Å; P36-F65 HydrophobicContact CG-CD1 3.89Å; P36-F65 HydrophobicContact CG-CD2 4.47Å; P36-F65 HydrophobicContact CG-CG 3.85Å; F41-F65 HydrophobicContact CB-CZ 4.47Å; F41-F65 AromaticContact CD1-CE2 3.61Å; F41-F65 HydrophobicContact CD1-CE2 3.61Å; F41-F65 AromaticContact CD1-CZ 3.88Å; F41-F65 HydrophobicContact CD1-CZ 3.88Å; F41-F65 HydrophobicContact CD2-CZ 4.11Å; F41-F65 AromaticContact CE1-CE2 3.74Å; F41-F65 HydrophobicContact CE1-CE2 3.74Å; F41-F65 HydrophobicContact CE1-CZ 4.06Å; F41-F65 HydrophobicContact CE2-CZ 4.22Å; F41-F65 HydrophobicContact CG-CE2 4.09Å; F41-F65 AromaticContact CG-CZ 3.9Å; F41-F65 HydrophobicContact CG-CZ 3.9Å; F41-F65 HydrophobicContact CZ-CE2 4.29Å; F41-F65 HydrophobicContact CZ-CZ 4.21Å; I62-F65 HydrophobicContact CG2-CB 4.26Å; I62-F65 HydrophobicContact CG2-CD2 4.47Å; F65-L72 HydrophobicContact CE1-CD2 4.46Å; F65-L72 HydrophobicContact CE2-CB 4.43Å; F65-L72 HydrophobicContact CZ-CB 4.24Å; F65-L72 HydrophobicContact CZ-CD1 4Å; F65-L72 HydrophobicContact CZ-CD2 4.21Å; F65-L72 HydrophobicContact CZ-CG 4.4Å; F65-A74 HydrophobicContact CD2-CB 3.68Å; F65-A74 HydrophobicContact CE2-CB 4.04Å |
| 66 | T | 92.8 | Very high | 89.2 | Confident | 19 Ų | 19 | 34.6 Ų | 34.6 | 12% | 0.117 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 168.4 | 178 | -160.8 | 0 | 0 | 0 | 0 | 112.4 | V73 L103 L111 | T66-V73 HydrophobicContact CG2-CB 4.16Å; T66-V73 PolarHBondContact N-O 3.38Å; T66-V73 PolarHBondContact O-N 3.3Å; T66-L103 HydrophobicContact CG2-CB 3.6Å; T66-L103 HydrophobicContact CG2-CD1 4.32Å; T66-L111 HydrophobicContact CG2-CD1 3.51Å |
| 67 | S | 90.5 | Very high | 89.5 | Confident | 23 Ų | 23 | 38.3 Ų | 38.3 | 16% | 0.161 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.6 | 174.5 | 158 | 0 | 0 | 0 | 0 | 109.8 | K23 S105 | K23-S67 VanDerWaalsContact CE-CB 3.5Å; K23-S67 WeakPolarHBondContact CE-OG 3.13Å; S67-S105 WeakPolarHBondContact O-CB 3.38Å; S67-S105 PolarHBondContact O-OG 3.03Å |
| 68 | C | 87.3 | Confident | 90 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.034 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 100.8 | 171.5 | -163.6 | 0 | 0 | 0 | 0 | 109.1 | N70 V71 V73 | C68-N70 PolarHBondContact O-N 2.85Å; C68-V71 PolarHBondContact N-O 2.77Å; C68-V71 PolarHBondContact O-N 3.47Å; C68-V73 HydrophobicContact CB-CG2 4.38Å |
| 69 | G | 82.3 | Confident | 90.3 | Very high | 19 Ų | 19 | 40 Ų | 40 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -126.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K23 V71 N108 | K23-G69 PolarHBondContact NZ-O 3.48Å; G69-V71 PolarHBondContact O-N 3.46Å; G69-N108 PolarHBondContact N-OD1 2.86Å; G69-N108 VanDerWaalsContact N-OD1 3.1Å |
| 70 | N | 83.2 | Confident | 90.9 | Very high | 135 Ų | 135 | 34.7 Ų | 34.7 | 72% | 0.722 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.5 | -176.6 | -67.3 | -0.8 | 0 | 0 | 0 | 113.3 | K23 C68 | K23-N70 PolarHBondContact NZ-O 2.92Å; C68-N70 PolarHBondContact O-N 2.85Å |
| 71 | V | 88.9 | Confident | 91.3 | Very high | 35 Ų | 35 | 31.7 Ų | 31.7 | 21% | 0.212 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 155 | -171.6 | -177 | 0 | 0 | 0 | 0 | 109.9 | K23 C68 G69 I82 F83 W128 | K23-V71 PolarHBondContact NZ-O 3.14Å; C68-V71 PolarHBondContact N-O 2.77Å; C68-V71 PolarHBondContact O-N 3.47Å; G69-V71 PolarHBondContact O-N 3.46Å; V71-I82 HydrophobicContact CG1-CB 4.5Å; V71-I82 HydrophobicContact CG1-CG2 3.18Å; V71-F83 VanDerWaalsContact CG1-O 3.3Å; V71-F83 WeakPolarHBondContact CG1-O 3.42Å; V71-W128 HydrophobicContact CG1-CZ2 4.31Å |
| 72 | L | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 142.8 | 170.2 | -68.5 | 174.1 | 0 | 0 | 0 | 109.6 | K23 I34 F41 F65 F83 | K23-L72 HydrophobicContact CD-CD2 4.17Å; K23-L72 VanDerWaalsContact CE-CD2 3.43Å; I34-L72 HydrophobicContact CD1-CD1 3.64Å; I34-L72 HydrophobicContact CD1-CD2 3.78Å; I34-L72 HydrophobicContact CD1-CG 4.28Å; I34-L72 HydrophobicContact CG1-CD1 4.42Å; I34-L72 HydrophobicContact CG2-CD1 4.02Å; F41-L72 HydrophobicContact CE2-CD1 3.76Å; F41-L72 HydrophobicContact CZ-CD1 3.91Å; F65-L72 HydrophobicContact CE1-CD2 4.46Å; F65-L72 HydrophobicContact CE2-CB 4.43Å; F65-L72 HydrophobicContact CZ-CB 4.24Å; F65-L72 HydrophobicContact CZ-CD1 4Å; F65-L72 HydrophobicContact CZ-CD2 4.21Å; F65-L72 HydrophobicContact CZ-CG 4.4Å; L72-F83 HydrophobicContact CB-CB 4.1Å; L72-F83 PolarHBondContact N-O 2.97Å; L72-F83 PolarHBondContact O-N 3.13Å |
| 73 | V | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.7 | -178.2 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | T66 C68 I80 Y81 L103 L111 W128 | T66-V73 HydrophobicContact CG2-CB 4.16Å; T66-V73 PolarHBondContact N-O 3.38Å; T66-V73 PolarHBondContact O-N 3.3Å; C68-V73 HydrophobicContact CB-CG2 4.38Å; V73-I80 HydrophobicContact CG1-CG2 3.23Å; V73-Y81 WeakPolarHBondContact CA-O 3.42Å; V73-L103 HydrophobicContact CG1-CD1 4.03Å; V73-L111 HydrophobicContact CB-CD1 4.36Å; V73-L111 HydrophobicContact CG1-CD1 4.32Å; V73-L111 HydrophobicContact CG1-CD2 3.8Å; V73-L111 HydrophobicContact CG2-CD1 4.34Å; V73-L111 HydrophobicContact CG2-CD2 4.4Å; V73-W128 HydrophobicContact CG2-CH2 3.78Å; V73-W128 HydrophobicContact CG2-CZ3 4.32Å |
| 74 | A | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | L58 I62 F65 Y81 F83 | L58-A74 HydrophobicContact CD1-CB 4.28Å; I62-A74 HydrophobicContact CD1-CB 4.33Å; I62-A74 HydrophobicContact CG1-CB 4.24Å; I62-A74 HydrophobicContact CG2-CB 4.15Å; F65-A74 HydrophobicContact CD2-CB 3.68Å; F65-A74 HydrophobicContact CE2-CB 4.04Å; A74-Y81 PolarHBondContact N-O 3.44Å; A74-Y81 WeakPolarHBondContact O-CA 3.45Å; A74-Y81 PolarHBondContact O-N 2.84Å; A74-F83 HydrophobicContact CB-CD2 4.43Å; A74-F83 HydrophobicContact CB-CE2 3.93Å |
| 75 | A | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K63 C64 T79 I80 I100 L103 | K63-A75 PolarHBondContact N-O 3.3Å; C64-A75 PolarHBondContact O-N 2.76Å; C64-A75 VanDerWaalsContact SG-CB 3.59Å; A75-T79 WeakPolarHBondContact CA-O 3.42Å; A75-I80 HydrophobicContact CB-CG1 4.39Å; A75-I100 HydrophobicContact CB-CB 3.87Å; A75-I100 HydrophobicContact CB-CD1 3.97Å; A75-I100 HydrophobicContact CB-CG2 3.82Å; A75-L103 HydrophobicContact CB-CD1 3.96Å |
| 76 | S | 92 | Very high | 89.7 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 126.5 | 171.1 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | F60 P61 E78 T79 | F60-S76 VanDerWaalsContact C-OG 3.27Å; F60-S76 WeakPolarHBondContact CB-OG 3.31Å; F60-S76 PolarHBondContact O-OG 3.41Å; F60-S76 VanDerWaalsContact O-OG 3.1Å; P61-S76 WeakPolarHBondContact O-CB 3.43Å; P61-S76 PolarHBondContact O-OG 2.73Å; S76-E78 PolarHBondContact O-N 3.38Å; S76-T79 PolarHBondContact N-O 2.66Å; S76-T79 PolarHBondContact O-N 3.06Å |
| 77 | R | 90.5 | Very high | 89.1 | Confident | 132 Ų | 132 | 33.3 Ų | 33.3 | 50% | 0.498 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | -120.7 | -168.7 | -60.3 | -173.2 | 174.1 | -172.1 | -1.6 | 111 | F60 I99 I100 | F60-R77 HydrophobicContact CB-CG 4.31Å; F60-R77 HydrophobicContact CD2-CG 4.23Å; F60-R77 HydrophobicContact CG-CG 4.26Å; F60-R77 VanDerWaalsContact CZ-CZ 3.42Å; R77-I99 WeakPolarHBondContact O-CA 3.45Å; R77-I100 PolarHBondContact O-N 2.91Å |
| 78 | E | 92.5 | Very high | 88.8 | Confident | 89 Ų | 89 | 36 Ų | 36 | 42% | 0.416 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -7.5 | -177.7 | -69.8 | 153.9 | -137.3 | 0 | 0 | 113.2 | S76 T97 N98 | S76-E78 PolarHBondContact O-N 3.38Å; E78-T97 VanDerWaalsContact CD-O 3.3Å; E78-N98 WeakPolarHBondContact CG-O 3.18Å |
| 79 | T | 93.5 | Very high | 88.8 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 9% | 0.086 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.5 | -171.3 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | A75 S76 Y81 R92 L93 Q94 | A75-T79 WeakPolarHBondContact CA-O 3.42Å; S76-T79 PolarHBondContact N-O 2.66Å; S76-T79 PolarHBondContact O-N 3.06Å; T79-Y81 HydrophobicContact CG2-CD2 4.18Å; T79-Y81 HydrophobicContact CG2-CE1 4.1Å; T79-Y81 HydrophobicContact CG2-CE2 3.67Å; T79-R92 HydrophobicContact CG2-CB 4.17Å; T79-L93 WeakPolarHBondContact CA-O 3.37Å; T79-Q94 HydrophobicContact CG2-CG 3.83Å; T79-Q94 WeakPolarHBondContact OG1-CG 3.39Å |
| 80 | I | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.5 | 170.4 | -55.3 | 176.2 | 0 | 0 | 0 | 108.9 | V73 A75 R92 L93 I100 L103 L111 W123 | V73-I80 HydrophobicContact CG1-CG2 3.23Å; A75-I80 HydrophobicContact CB-CG1 4.39Å; I80-R92 CarbonylContact O-C 3.56Å; I80-R92 WeakPolarHBondContact O-CA 3.43Å; I80-L93 HydrophobicContact CB-CB 4.19Å; I80-L93 HydrophobicContact CB-CD1 4.43Å; I80-L93 HydrophobicContact CG2-CD1 4.47Å; I80-L93 PolarHBondContact N-O 2.85Å; I80-L93 PolarHBondContact O-N 3.22Å; I80-I100 HydrophobicContact CD1-CD1 3.94Å; I80-I100 HydrophobicContact CG1-CD1 3.32Å; I80-L103 HydrophobicContact CD1-CD2 4.35Å; I80-L111 HydrophobicContact CD1-CD2 4.49Å; I80-L111 HydrophobicContact CG2-CD2 4.4Å; I80-W123 HydrophobicContact CD1-CZ2 3.84Å |
| 81 | Y | 93.4 | Very high | 89.1 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.02 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.2 | 179.1 | -64.1 | -89.4 | 0 | 0 | 0 | 110.1 | L58 V73 A74 T79 L89 R92 | L58-Y81 HydrophobicContact CD1-CD2 3.91Å; L58-Y81 HydrophobicContact CD1-CE2 4.36Å; L58-Y81 HydrophobicContact CD1-CG 4.22Å; L58-Y81 HydrophobicContact CD2-CD1 3.5Å; L58-Y81 HydrophobicContact CD2-CD2 3.91Å; L58-Y81 HydrophobicContact CD2-CE1 3.89Å; L58-Y81 HydrophobicContact CD2-CE2 4.28Å; L58-Y81 HydrophobicContact CD2-CG 3.5Å; V73-Y81 WeakPolarHBondContact CA-O 3.42Å; A74-Y81 PolarHBondContact N-O 3.44Å; A74-Y81 WeakPolarHBondContact O-CA 3.45Å; A74-Y81 PolarHBondContact O-N 2.84Å; T79-Y81 HydrophobicContact CG2-CD2 4.18Å; T79-Y81 HydrophobicContact CG2-CE1 4.1Å; T79-Y81 HydrophobicContact CG2-CE2 3.67Å; Y81-L89 HydrophobicContact CD1-CD1 3.67Å; Y81-L89 HydrophobicContact CD1-CD2 4.22Å; Y81-L89 HydrophobicContact CG-CD1 4.23Å; Y81-R92 HydrophobicContact CD1-CG 3.85Å; Y81-R92 HydrophobicContact CE1-CG 3.82Å |
| 82 | I | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.1 | -176 | -62.2 | 165.1 | 0 | 0 | 0 | 108.3 | V71 L90 Q91 L93 W128 | V71-I82 HydrophobicContact CG1-CB 4.5Å; V71-I82 HydrophobicContact CG1-CG2 3.18Å; I82-L90 HydrophobicContact CG2-CB 4.47Å; I82-L90 HydrophobicContact CG2-CD2 4.09Å; I82-L90 WeakPolarHBondContact O-CB 3.43Å; I82-L90 PolarHBondContact O-N 3.37Å; I82-Q91 HydrophobicContact CB-CB 4.49Å; I82-Q91 HydrophobicContact CD1-CB 4.18Å; I82-Q91 PolarHBondContact N-O 3.38Å; I82-Q91 PolarHBondContact O-N 2.91Å; I82-L93 HydrophobicContact CD1-CD1 3.77Å; I82-L93 HydrophobicContact CD1-CD2 4.29Å; I82-L93 HydrophobicContact CD1-CG 3.9Å; I82-W128 HydrophobicContact CD1-CB 4.43Å; I82-W128 HydrophobicContact CD1-CD2 3.34Å; I82-W128 VanDerWaalsContact CD1-CE2 3.44Å; I82-W128 HydrophobicContact CD1-CE3 3.73Å; I82-W128 HydrophobicContact CD1-CG 3.66Å; I82-W128 HydrophobicContact CD1-CH2 4.23Å; I82-W128 HydrophobicContact CD1-CZ2 3.9Å; I82-W128 HydrophobicContact CD1-CZ3 4.16Å; I82-W128 HydrophobicContact CG1-CD2 4.38Å; I82-W128 HydrophobicContact CG1-CE3 4.48Å; I82-W128 HydrophobicContact CG1-CH2 4.28Å; I82-W128 HydrophobicContact CG1-CZ2 4.17Å; I82-W128 HydrophobicContact CG1-CZ3 4.44Å; I82-W128 HydrophobicContact CG2-CH2 4.46Å; I82-W128 HydrophobicContact CG2-CZ2 3.79Å |
| 83 | F | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.7 | -175.5 | -71.4 | -93.4 | 0 | 0 | 0 | 112.5 | F41 D56 L58 V71 L72 A74 R87 Y88 L89 | F41-F83 HydrophobicContact CE1-CD1 4.01Å; F41-F83 AromaticContact CE1-CD2 3.83Å; F41-F83 HydrophobicContact CE1-CD2 3.83Å; F41-F83 HydrophobicContact CE1-CE1 4.02Å; F41-F83 AromaticContact CE1-CE2 3.85Å; F41-F83 HydrophobicContact CE1-CE2 3.85Å; F41-F83 AromaticContact CE1-CG 3.9Å; F41-F83 HydrophobicContact CE1-CG 3.9Å; F41-F83 AromaticContact CE1-CZ 3.92Å; F41-F83 HydrophobicContact CE1-CZ 3.92Å; F41-F83 HydrophobicContact CZ-CB 4.2Å; F41-F83 HydrophobicContact CZ-CD1 4.03Å; F41-F83 HydrophobicContact CZ-CD2 4.27Å; F41-F83 HydrophobicContact CZ-CE1 4.43Å; F41-F83 AromaticContact CZ-CG 3.92Å; F41-F83 HydrophobicContact CZ-CG 3.92Å; D56-F83 HydrophobicContact CB-CE1 4.4Å; L58-F83 HydrophobicContact CD2-CE2 4.16Å; L58-F83 HydrophobicContact CD2-CZ 3.63Å; L58-F83 HydrophobicContact CG-CZ 4.17Å; V71-F83 VanDerWaalsContact CG1-O 3.3Å; V71-F83 WeakPolarHBondContact CG1-O 3.42Å; L72-F83 HydrophobicContact CB-CB 4.1Å; L72-F83 PolarHBondContact N-O 2.97Å; L72-F83 PolarHBondContact O-N 3.13Å; A74-F83 HydrophobicContact CB-CD2 4.43Å; A74-F83 HydrophobicContact CB-CE2 3.93Å; F83-R87 WeakPolarHBondContact CD1-O 3.09Å; F83-Y88 CarbonylContact C-O 3.57Å; F83-Y88 VanDerWaalsContact CA-O 3.23Å; F83-Y88 WeakPolarHBondContact CA-O 3.28Å; F83-L89 HydrophobicContact CD1-CB 4.5Å; F83-L89 HydrophobicContact CE1-CB 4.27Å; F83-L89 HydrophobicContact CE1-CD1 4.34Å; F83-L89 HydrophobicContact CE2-CD1 4.34Å; F83-L89 HydrophobicContact CZ-CD1 4.2Å |
| 84 | R | 87.1 | Confident | 88.8 | Confident | 125 Ų | 125 | 51.5 Ų | 51.5 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 148.7 | 173 | -178.1 | 173.1 | 176.3 | -178.6 | 0.2 | 110.7 | S86 R87 Y88 L90 | R84-S86 PolarHBondContact O-N 2.98Å; R84-R87 PolarHBondContact O-N 3.06Å; R84-Y88 PolarHBondContact N-O 2.84Å; R84-Y88 PolarHBondContact O-N 3.44Å; R84-L90 HydrophobicContact CB-CB 4.16Å; R84-L90 HydrophobicContact CB-CD1 3.83Å; R84-L90 HydrophobicContact CG-CD1 4.35Å |
| 85 | N | 79.2 | Confident | 88.4 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 25.1 | 179.5 | -61.1 | -2 | 0 | 0 | 0 | 113.5 | R87 Y88 | N85-R87 PolarHBondContact O-N 2.89Å; N85-R87 VanDerWaalsContact O-N 3.14Å; N85-Y88 HydrophobicContact CB-CD2 4.3Å |
| 86 | S | 79.1 | Confident | 88 | Confident | 24 Ų | 24 | 57 Ų | 57 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 19.3 | -174.2 | -49.8 | 0 | 0 | 0 | 0 | 115.2 | F41 I43 R84 | F41-S86 WeakPolarHBondContact CE2-O 3.45Å; I43-S86 VanDerWaalsContact CD1-O 3.23Å; I43-S86 WeakPolarHBondContact CD1-O 3.36Å; R84-S86 PolarHBondContact O-N 2.98Å |
| 87 | R | 81 | Confident | 87.9 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 16% | 0.158 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | -46.4 | -177.5 | -68.2 | -175 | -176.2 | -175.9 | -0.7 | 113.8 | I43 I52 D56 F83 R84 N85 | I43-R87 HydrophobicContact CD1-CG 3.9Å; I52-R87 VanDerWaalsContact C-NH2 3.31Å; I52-R87 VanDerWaalsContact CG2-NH2 3.3Å; I52-R87 PolarHBondContact O-NH2 3.15Å; D56-R87 PolarHBondContact N-O 3.18Å; F83-R87 WeakPolarHBondContact CD1-O 3.09Å; R84-R87 PolarHBondContact O-N 3.06Å; N85-R87 PolarHBondContact O-N 2.89Å; N85-R87 VanDerWaalsContact O-N 3.14Å |
| 88 | Y | 84.9 | Confident | 87.9 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 132.4 | -167.7 | -56.3 | -58.2 | 0 | 0 | 0 | 111.8 | D56 F83 R84 N85 L90 M705 | D56-Y88 WeakPolarHBondContact OD2-CA 3.39Å; F83-Y88 CarbonylContact C-O 3.57Å; F83-Y88 VanDerWaalsContact CA-O 3.23Å; F83-Y88 WeakPolarHBondContact CA-O 3.28Å; R84-Y88 PolarHBondContact N-O 2.84Å; R84-Y88 PolarHBondContact O-N 3.44Å; N85-Y88 HydrophobicContact CB-CD2 4.3Å; Y88-L90 PolarHBondContact O-N 2.92Å; Y88-M705 HydrophobicContact CD1-CE 3.86Å; Y88-M705 HydrophobicContact CE1-CE 3.29Å; Y88-M705 HydrophobicContact CE1-SD 3.65Å |
| 89 | L | 85.5 | Confident | 87.9 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 121.2 | 174 | -176.4 | 68.4 | 0 | 0 | 0 | 110.4 | D56 Y81 F83 R92 | D56-L89 PolarHBondContact OD2-N 3.01Å; Y81-L89 HydrophobicContact CD1-CD1 3.67Å; Y81-L89 HydrophobicContact CD1-CD2 4.22Å; Y81-L89 HydrophobicContact CG-CD1 4.23Å; F83-L89 HydrophobicContact CD1-CB 4.5Å; F83-L89 HydrophobicContact CE1-CB 4.27Å; F83-L89 HydrophobicContact CE1-CD1 4.34Å; F83-L89 HydrophobicContact CE2-CD1 4.34Å; F83-L89 HydrophobicContact CZ-CD1 4.2Å; L89-R92 HydrophobicContact CD2-CG 4.22Å |
| 90 | L | 85.9 | Confident | 87.9 | Confident | 88 Ų | 88 | 56.5 Ų | 56.5 | 46% | 0.461 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -50.4 | -179.9 | -179.3 | 134.1 | 0 | 0 | 0 | 112.1 | I82 R84 Y88 | I82-L90 HydrophobicContact CG2-CB 4.47Å; I82-L90 HydrophobicContact CG2-CD2 4.09Å; I82-L90 WeakPolarHBondContact O-CB 3.43Å; I82-L90 PolarHBondContact O-N 3.37Å; R84-L90 HydrophobicContact CB-CB 4.16Å; R84-L90 HydrophobicContact CB-CD1 3.83Å; R84-L90 HydrophobicContact CG-CD1 4.35Å; Y88-L90 PolarHBondContact O-N 2.92Å |
| 91 | Q | 87.5 | Confident | 87.8 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 153.3 | -175.5 | -174.1 | 172.7 | 6.7 | 0 | 0 | 111.5 | I82 L93 | I82-Q91 HydrophobicContact CB-CB 4.49Å; I82-Q91 HydrophobicContact CD1-CB 4.18Å; I82-Q91 PolarHBondContact N-O 3.38Å; I82-Q91 PolarHBondContact O-N 2.91Å; Q91-L93 HydrophobicContact CG-CD2 4.23Å |
| 92 | R | 90.9 | Very high | 87.8 | Confident | 127 Ų | 127 | 60.1 Ų | 60.1 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.2 | 174.2 | -51.2 | -179.8 | -175.4 | -163.7 | -3.5 | 108.7 | E59 T79 I80 Y81 L89 | E59-R92 IonicContact OE1-CZ 2.62Å; E59-R92 IonicContact OE1-NH1 2.6Å; E59-R92 PolarHBondContact OE1-NH1 2.6Å; E59-R92 IonicContact OE1-NH2 3.64Å; T79-R92 HydrophobicContact CG2-CB 4.17Å; I80-R92 CarbonylContact O-C 3.56Å; I80-R92 WeakPolarHBondContact O-CA 3.43Å; Y81-R92 HydrophobicContact CD1-CG 3.85Å; Y81-R92 HydrophobicContact CE1-CG 3.82Å; L89-R92 HydrophobicContact CD2-CG 4.22Å |
| 93 | L | 89.8 | Confident | 87.9 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120.7 | 175.4 | -50.3 | 173.8 | 0 | 0 | 0 | 109.1 | T79 I80 I82 Q91 W123 W128 | T79-L93 WeakPolarHBondContact CA-O 3.37Å; I80-L93 HydrophobicContact CB-CB 4.19Å; I80-L93 HydrophobicContact CB-CD1 4.43Å; I80-L93 HydrophobicContact CG2-CD1 4.47Å; I80-L93 PolarHBondContact N-O 2.85Å; I80-L93 PolarHBondContact O-N 3.22Å; I82-L93 HydrophobicContact CD1-CD1 3.77Å; I82-L93 HydrophobicContact CD1-CD2 4.29Å; I82-L93 HydrophobicContact CD1-CG 3.9Å; Q91-L93 HydrophobicContact CG-CD2 4.23Å; L93-W123 HydrophobicContact CB-CH2 4.16Å; L93-W123 HydrophobicContact CB-CZ3 4.25Å; L93-W123 HydrophobicContact CD1-CD2 4.35Å; L93-W123 HydrophobicContact CD1-CE3 3.88Å; L93-W123 HydrophobicContact CD1-CH2 4.31Å; L93-W123 HydrophobicContact CD1-CZ3 3.85Å; L93-W123 HydrophobicContact CG-CZ3 4.49Å; L93-W128 HydrophobicContact CD1-CB 4.13Å; L93-W128 HydrophobicContact CD1-CD2 4.46Å; L93-W128 HydrophobicContact CD1-CE3 4.03Å; L93-W128 HydrophobicContact CD2-CB 3.95Å |
| 94 | Q | 86.9 | Confident | 88 | Confident | 154 Ų | 154 | 61.4 Ų | 61.4 | 72% | 0.72 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 92.7 | 178.5 | -70.5 | -177.1 | -26.3 | 0 | 0 | 109 | T79 | T79-Q94 HydrophobicContact CG2-CG 3.83Å; T79-Q94 WeakPolarHBondContact OG1-CG 3.39Å |
| 95 | H | 85.3 | Confident | 88.1 | Confident | 106 Ų | 106 | 57 Ų | 57 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | trans | -133.5 | -26.7 | 178.2 | -162 | -43.1 | 0 | 0 | 0 | 112.8 | Q121 W123 | H95-Q121 PolarHBondContact CE1-NE2 3Å; H95-Q121 PolarHBondContact ND1-NE2 2.82Å; H95-W123 HydrophobicContact CB-CH2 3.48Å; H95-W123 VanDerWaalsContact CB-CH2 3.48Å; H95-W123 HydrophobicContact CB-CZ2 4.12Å; H95-W123 HydrophobicContact CB-CZ3 4.45Å | ||
| 96 | H | 86.9 | Confident | 88.5 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | trans | -74.3 | 145.6 | 171.8 | -73.9 | -78 | 0 | 0 | 0 | 110.2 | I100 S113 D115 Q121 | H96-I100 HydrophobicContact CB-CD1 4.24Å; H96-I100 HydrophobicContact CB-CG1 4.03Å; H96-S113 PolarHBondContact NE2-OG 2.66Å; H96-D115 IonicContact ND1-OD2 2.83Å; H96-Q121 PolarHBondContact CE1-OE1 3.4Å; H96-Q121 PolarHBondContact NE2-OE1 2.89Å; H96-Q121 VanDerWaalsContact NE2-OE1 3.11Å | ||
| 97 | T | 88.2 | Confident | 88.4 | Confident | 103 Ų | 103 | 57.7 Ų | 57.7 | 63% | 0.632 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -101.1 | -18.3 | 172.9 | 51.8 | 0 | 0 | 0 | 0 | 112.2 | E78 | E78-T97 VanDerWaalsContact CD-O 3.3Š|
| 98 | N | 90.8 | Very high | 88.3 | Confident | 66 Ų | 66 | 60.1 Ų | 60.1 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -109.8 | 168.1 | 174.2 | -54.4 | -58 | 0 | 0 | 0 | 111.1 | E78 I100 D115 | E78-N98 WeakPolarHBondContact CG-O 3.18Å; N98-I100 PolarHBondContact O-N 2.59Å; N98-D115 HydrophobicContact CB-CB 4.05Å; N98-D115 WeakPolarHBondContact CB-OD2 3.04Å; N98-D115 PolarHBondContact ND2-OD2 2.89Å |
| 99 | I | 92.5 | Very high | 88.3 | Confident | 58 Ų | 58 | 58.9 Ų | 58.9 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | trans | -65.6 | 130.3 | 179.3 | -58.4 | 170.6 | 0 | 0 | 0 | 110 | K63 R77 T101 D115 E116 | K63-I99 HydrophobicContact CD-CG2 3.46Å; K63-I99 VanDerWaalsContact CD-CG2 3.46Å; R77-I99 WeakPolarHBondContact O-CA 3.45Å; I99-T101 PolarHBondContact O-N 3.44Å; I99-D115 CarbonylContact O-C 3.55Å; I99-D115 WeakPolarHBondContact O-CA 3.35Å; I99-E116 HydrophobicContact CB-CG 4.37Å; I99-E116 PolarHBondContact O-N 3.26Å | ||
| 100 | I | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 124.4 | 178.2 | -56.5 | 174.7 | 0 | 0 | 0 | 109.2 | K63 A75 R77 I80 H96 N98 L103 V114 | K63-I100 WeakPolarHBondContact CD-O 3.44Å; A75-I100 HydrophobicContact CB-CB 3.87Å; A75-I100 HydrophobicContact CB-CD1 3.97Å; A75-I100 HydrophobicContact CB-CG2 3.82Å; R77-I100 PolarHBondContact O-N 2.91Å; I80-I100 HydrophobicContact CD1-CD1 3.94Å; I80-I100 HydrophobicContact CG1-CD1 3.32Å; H96-I100 HydrophobicContact CB-CD1 4.24Å; H96-I100 HydrophobicContact CB-CG1 4.03Å; N98-I100 PolarHBondContact O-N 2.59Å; I100-L103 HydrophobicContact CG2-CD2 4.36Å; I100-V114 CarbonylContact C-O 3.55Å; I100-V114 WeakPolarHBondContact CA-O 2.91Å; I100-V114 WeakPolarHBondContact CG2-O 3.19Å |
| 101 | T | 92.6 | Very high | 88.9 | Confident | 28 Ų | 28 | 54 Ų | 54 | 17% | 0.172 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -40.8 | -177.1 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | C64 I99 V114 E116 | C64-T101 WeakPolarHBondContact CB-O 3.42Å; I99-T101 PolarHBondContact O-N 3.44Å; T101-V114 PolarHBondContact N-O 3.31Å; T101-V114 PolarHBondContact OG1-O 2.81Å; T101-V114 VanDerWaalsContact OG1-O 3.11Å; T101-E116 HydrophobicContact CG2-CB 4.29Å; T101-E116 HydrophobicContact CG2-CG 3.29Å |
| 102 | H | 93.2 | Very high | 89.2 | Confident | 53 Ų | 53 | 50 Ų | 50 | 25% | 0.245 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 149.7 | -173 | -56.5 | -74.3 | 0 | 0 | 0 | 113.1 | S113 V114 T144 L146 | H102-S113 WeakPolarHBondContact O-CA 3.45Å; H102-V114 HydrophobicContact CB-CB 4.35Å; H102-V114 PolarHBondContact N-O 2.81Å; H102-V114 PolarHBondContact O-N 3.08Å; H102-T144 PolarHBondContact CE1-O 2.96Å; H102-T144 PolarHBondContact NE2-O 3.02Å; H102-L146 HydrophobicContact CB-CD2 3.35Å; H102-L146 HydrophobicContact CB-CG 3.96Å |
| 103 | L | 94.2 | Very high | 89.4 | Confident | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 134.1 | 174.7 | -69.5 | 170 | 0 | 0 | 0 | 110.6 | T66 V73 A75 I80 I100 L111 V112 | T66-L103 HydrophobicContact CG2-CB 3.6Å; T66-L103 HydrophobicContact CG2-CD1 4.32Å; V73-L103 HydrophobicContact CG1-CD1 4.03Å; A75-L103 HydrophobicContact CB-CD1 3.96Å; I80-L103 HydrophobicContact CD1-CD2 4.35Å; I100-L103 HydrophobicContact CG2-CD2 4.36Å; L103-L111 HydrophobicContact CD2-CD1 4.3Å; L103-L111 HydrophobicContact CD2-CD2 4.24Å; L103-L111 HydrophobicContact CD2-CG 4.42Å; L103-V112 CarbonylContact C-O 3.57Å; L103-V112 VanDerWaalsContact CA-O 3.31Å; L103-V112 WeakPolarHBondContact CA-O 3.37Å |
| 104 | C | 92.1 | Very high | 89.6 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 8% | 0.081 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.8 | 173.8 | -154.1 | 0 | 0 | 0 | 0 | 110.8 | L111 V112 L146 | C104-L111 CarbonylContact O-C 3.57Å; C104-L111 WeakPolarHBondContact O-CA 3.39Å; C104-V112 HydrophobicContact CB-CB 4.08Å; C104-V112 PolarHBondContact N-O 3.21Å; C104-V112 PolarHBondContact O-N 3.47Å; C104-L146 HydrophobicContact CB-CD1 3.3Å; C104-L146 HydrophobicContact CB-CG 4.49Å |
| 105 | S | 91 | Very high | 89.9 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 22% | 0.217 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 142.4 | 163.8 | 57 | 0 | 0 | 0 | 0 | 111.8 | S67 | S67-S105 WeakPolarHBondContact O-CB 3.38Å; S67-S105 PolarHBondContact O-OG 3.03Å |
| 106 | L | 86.8 | Confident | 90.2 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 112.4 | 176.1 | -54.2 | 177.8 | 0 | 0 | 0 | 109.9 | N108 S109 F110 V112 N148 V156 V170 | L106-N108 PolarHBondContact O-N 2.9Å; L106-S109 PolarHBondContact O-N 2.55Å; L106-F110 HydrophobicContact CB-CB 4.11Å; L106-F110 HydrophobicContact CD1-CB 4.18Å; L106-F110 HydrophobicContact CG-CB 4.49Å; L106-F110 PolarHBondContact N-O 2.89Å; L106-F110 PolarHBondContact O-N 3.46Å; L106-V112 HydrophobicContact CD1-CG2 3.47Å; L106-V112 VanDerWaalsContact CD1-CG2 3.47Å; L106-V112 HydrophobicContact CD2-CG2 4.31Å; L106-V112 HydrophobicContact CG-CG2 3.81Å; L106-N148 HydrophobicContact CD2-CB 3.8Å; L106-V156 HydrophobicContact CD1-CG2 4.15Å; L106-V156 HydrophobicContact CD2-CG2 3.32Å; L106-V156 HydrophobicContact CG-CG2 4.3Å; L106-V170 HydrophobicContact CD1-CG2 4.34Å |
| 107 | E | 76.7 | Confident | 90.2 | Very high | 89 Ų | 89 | 37.5 Ų | 37.5 | 42% | 0.416 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 30.8 | 175.6 | -57.6 | -173.4 | 164.5 | 0 | 0 | 113.8 | S109 K153 | E107-S109 PolarHBondContact O-N 2.88Å; E107-S109 PolarHBondContact O-OG 2.82Å; E107-S109 VanDerWaalsContact O-OG 3.06Å; E107-K153 WeakPolarHBondContact OE1-CA 3.43Å; E107-K153 WeakPolarHBondContact OE1-CB 3.31Å |
| 108 | N | 79.2 | Confident | 90.3 | Very high | 92 Ų | 92 | 33 Ų | 33 | 49% | 0.492 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 10.3 | -171.7 | -62.2 | -31.3 | 0 | 0 | 0 | 115.9 | G69 L106 S125 | G69-N108 PolarHBondContact N-OD1 2.86Å; G69-N108 VanDerWaalsContact N-OD1 3.1Å; L106-N108 PolarHBondContact O-N 2.9Å; N108-S125 PolarHBondContact O-OG 3.11Å |
| 109 | S | 85 | Confident | 90.4 | Very high | 53 Ų | 53 | 31.3 Ų | 31.3 | 37% | 0.371 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -29.1 | -173.5 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | L106 E107 S125 | L106-S109 PolarHBondContact O-N 2.55Å; E107-S109 PolarHBondContact O-N 2.88Å; E107-S109 PolarHBondContact O-OG 2.82Å; E107-S109 VanDerWaalsContact O-OG 3.06Å; S109-S125 WeakPolarHBondContact CA-OG 3.17Å; S109-S125 WeakPolarHBondContact O-CB 3.32Å; S109-S125 PolarHBondContact O-N 2.82Å; S109-S125 PolarHBondContact O-OG 2.79Å |
| 110 | F | 91 | Very high | 90.5 | Very high | 38 Ų | 38 | 28.6 Ų | 28.6 | 17% | 0.167 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.2 | 175 | -53.3 | -84.7 | 0 | 0 | 0 | 111.2 | L106 V122 W123 V131 I171 | L106-F110 HydrophobicContact CB-CB 4.11Å; L106-F110 HydrophobicContact CD1-CB 4.18Å; L106-F110 HydrophobicContact CG-CB 4.49Å; L106-F110 PolarHBondContact N-O 2.89Å; L106-F110 PolarHBondContact O-N 3.46Å; F110-V122 HydrophobicContact CB-CG1 3.83Å; F110-V122 HydrophobicContact CD1-CG1 4.11Å; F110-V122 HydrophobicContact CG-CG1 4.2Å; F110-W123 CarbonylContact C-O 3.56Å; F110-W123 WeakPolarHBondContact CA-O 3.34Å; F110-W123 WeakPolarHBondContact CB-O 3.47Å; F110-V131 HydrophobicContact CD1-CG2 4.27Å; F110-V131 HydrophobicContact CE1-CG2 4.11Å; F110-I171 HydrophobicContact CD2-CD1 4.14Å; F110-I171 HydrophobicContact CE1-CD1 4.31Å; F110-I171 HydrophobicContact CE2-CD1 3.58Å; F110-I171 HydrophobicContact CZ-CD1 3.68Å |
| 111 | L | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.1 | 169.7 | 174.6 | 82.8 | 0 | 0 | 0 | 107.9 | T66 V73 I80 L103 C104 V122 W123 W128 | T66-L111 HydrophobicContact CG2-CD1 3.51Å; V73-L111 HydrophobicContact CB-CD1 4.36Å; V73-L111 HydrophobicContact CG1-CD1 4.32Å; V73-L111 HydrophobicContact CG1-CD2 3.8Å; V73-L111 HydrophobicContact CG2-CD1 4.34Å; V73-L111 HydrophobicContact CG2-CD2 4.4Å; I80-L111 HydrophobicContact CD1-CD2 4.49Å; I80-L111 HydrophobicContact CG2-CD2 4.4Å; L103-L111 HydrophobicContact CD2-CD1 4.3Å; L103-L111 HydrophobicContact CD2-CD2 4.24Å; L103-L111 HydrophobicContact CD2-CG 4.42Å; C104-L111 CarbonylContact O-C 3.57Å; C104-L111 WeakPolarHBondContact O-CA 3.39Å; L111-V122 CarbonylContact O-C 3.45Å; L111-V122 WeakPolarHBondContact O-CA 3.39Å; L111-W123 HydrophobicContact CB-CB 4.18Å; L111-W123 HydrophobicContact CD2-CG 4.43Å; L111-W123 PolarHBondContact N-O 3.21Å; L111-W123 PolarHBondContact O-N 2.77Å; L111-W128 HydrophobicContact CB-CZ3 4.21Å; L111-W128 HydrophobicContact CD2-CZ3 3.88Å |
| 112 | V | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.1 | 172 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | L103 C104 L106 T120 Q121 V122 V156 | L103-V112 CarbonylContact C-O 3.57Å; L103-V112 VanDerWaalsContact CA-O 3.31Å; L103-V112 WeakPolarHBondContact CA-O 3.37Å; C104-V112 HydrophobicContact CB-CB 4.08Å; C104-V112 PolarHBondContact N-O 3.21Å; C104-V112 PolarHBondContact O-N 3.47Å; L106-V112 HydrophobicContact CD1-CG2 3.47Å; L106-V112 VanDerWaalsContact CD1-CG2 3.47Å; L106-V112 HydrophobicContact CD2-CG2 4.31Å; L106-V112 HydrophobicContact CG-CG2 3.81Å; V112-T120 HydrophobicContact CG1-CG2 3.39Å; V112-Q121 CarbonylContact C-O 3.47Å; V112-Q121 WeakPolarHBondContact CA-O 3.38Å; V112-V122 HydrophobicContact CG2-CG2 4.26Å; V112-V156 HydrophobicContact CG2-CG2 4.32Å |
| 113 | S | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.6 | 175 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | H96 H102 T120 Q121 W123 | H96-S113 PolarHBondContact NE2-OG 2.66Å; H102-S113 WeakPolarHBondContact O-CA 3.45Å; S113-T120 CarbonylContact O-C 3.49Å; S113-T120 VanDerWaalsContact O-CA 3.28Å; S113-T120 WeakPolarHBondContact O-CA 3.48Å; S113-Q121 PolarHBondContact N-O 3.38Å; S113-Q121 PolarHBondContact O-N 2.76Å; S113-Q121 PolarHBondContact OG-O 3.24Å; S113-W123 PolarHBondContact OG-NE1 3.31Å |
| 114 | V | 94.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.6 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | I100 T101 H102 T120 V143 L146 F158 | I100-V114 CarbonylContact C-O 3.55Å; I100-V114 WeakPolarHBondContact CA-O 2.91Å; I100-V114 WeakPolarHBondContact CG2-O 3.19Å; T101-V114 PolarHBondContact N-O 3.31Å; T101-V114 PolarHBondContact OG1-O 2.81Å; T101-V114 VanDerWaalsContact OG1-O 3.11Å; H102-V114 HydrophobicContact CB-CB 4.35Å; H102-V114 PolarHBondContact N-O 2.81Å; H102-V114 PolarHBondContact O-N 3.08Å; V114-T120 HydrophobicContact CG2-CG2 3.95Å; V114-V143 HydrophobicContact CG1-CB 4.1Å; V114-V143 HydrophobicContact CG1-CG1 4.23Å; V114-V143 HydrophobicContact CG1-CG2 4.32Å; V114-L146 HydrophobicContact CG2-CD2 3.61Å; V114-F158 HydrophobicContact CG2-CE1 4.16Å |
| 115 | D | 93.5 | Very high | 90 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 171.7 | 174.4 | 79.4 | -6.6 | 0 | 0 | 0 | 112.9 | H96 N98 I99 G117 G118 L119 | H96-D115 IonicContact ND1-OD2 2.83Å; N98-D115 HydrophobicContact CB-CB 4.05Å; N98-D115 WeakPolarHBondContact CB-OD2 3.04Å; N98-D115 PolarHBondContact ND2-OD2 2.89Å; I99-D115 CarbonylContact O-C 3.55Å; I99-D115 WeakPolarHBondContact O-CA 3.35Å; D115-G117 PolarHBondContact O-N 3.16Å; D115-G117 WeakPolarHBondContact OD1-CA 3.2Å; D115-G117 PolarHBondContact OD1-N 3.15Å; D115-G118 PolarHBondContact O-N 3.42Å; D115-G118 PolarHBondContact OD1-N 2.76Å; D115-L119 PolarHBondContact N-O 2.84Å; D115-L119 WeakPolarHBondContact OD1-CA 3.42Å; D115-L119 WeakPolarHBondContact OD1-CB 3.44Å; D115-L119 PolarHBondContact OD1-N 3.5Å |
| 116 | E | 90.5 | Very high | 89.8 | Confident | 104 Ų | 104 | 35.1 Ų | 35.1 | 49% | 0.486 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -23.6 | 173.7 | -73.1 | -177.7 | 174.5 | 0 | 0 | 113.1 | K63 I99 T101 G118 | K63-E116 IonicContact NZ-OE1 2.79Å; K63-E116 PolarHBondContact NZ-OE1 3.05Å; I99-E116 HydrophobicContact CB-CG 4.37Å; I99-E116 PolarHBondContact O-N 3.26Å; T101-E116 HydrophobicContact CG2-CB 4.29Å; T101-E116 HydrophobicContact CG2-CG 3.29Å; E116-G118 VanDerWaalsContact C-N 3.25Å; E116-G118 PolarHBondContact O-N 2.96Å |
| 117 | G | 88.7 | Confident | 89.9 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 39% | 0.392 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D115 | D115-G117 PolarHBondContact O-N 3.16Å; D115-G117 WeakPolarHBondContact OD1-CA 3.2Å; D115-G117 PolarHBondContact OD1-N 3.15Å |
| 118 | G | 89.1 | Confident | 90.5 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 88.2 | 2.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D115 E116 T120 F136 | D115-G118 PolarHBondContact O-N 3.42Å; D115-G118 PolarHBondContact OD1-N 2.76Å; E116-G118 VanDerWaalsContact C-N 3.25Å; E116-G118 PolarHBondContact O-N 2.96Å; G118-T120 PolarHBondContact O-N 3.11Å; G118-F136 WeakPolarHBondContact O-CD2 3.33Å; G118-F136 PolarHBondContact O-N 2.79Å |
| 119 | L | 93.1 | Very high | 91.1 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 115.6 | 171.3 | -176.9 | 68.6 | 0 | 0 | 0 | 110.1 | D115 Q121 H133 E135 | D115-L119 PolarHBondContact N-O 2.84Å; D115-L119 WeakPolarHBondContact OD1-CA 3.42Å; D115-L119 WeakPolarHBondContact OD1-CB 3.44Å; D115-L119 PolarHBondContact OD1-N 3.5Å; L119-Q121 HydrophobicContact CD2-CG 4.27Å; L119-Q121 HydrophobicContact CG-CG 4.13Å; L119-H133 HydrophobicContact CD1-CB 4.15Å; L119-E135 HydrophobicContact CD1-CG 3.71Å |
| 120 | T | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.1 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | V112 S113 V114 G118 H133 I134 F136 F158 | V112-T120 HydrophobicContact CG1-CG2 3.39Å; S113-T120 CarbonylContact O-C 3.49Å; S113-T120 VanDerWaalsContact O-CA 3.28Å; S113-T120 WeakPolarHBondContact O-CA 3.48Å; V114-T120 HydrophobicContact CG2-CG2 3.95Å; G118-T120 PolarHBondContact O-N 3.11Å; T120-H133 CarbonylContact O-C 3.56Å; T120-H133 WeakPolarHBondContact O-CA 3.46Å; T120-I134 PolarHBondContact N-O 3.45Å; T120-I134 PolarHBondContact O-N 2.88Å; T120-F136 WeakPolarHBondContact OG1-CD2 3.42Å; T120-F136 VanDerWaalsContact OG1-CE2 3.27Å; T120-F136 WeakPolarHBondContact OG1-CE2 3.49Å; T120-F158 HydrophobicContact CG2-CE1 4.15Å; T120-F158 HydrophobicContact CG2-CZ 4Å |
| 121 | Q | 93.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.2 | 178.7 | -64.7 | -176.1 | -25.9 | 0 | 0 | 111.1 | H95 H96 V112 S113 L119 W123 V130 H133 | H95-Q121 PolarHBondContact CE1-NE2 3Å; H95-Q121 PolarHBondContact ND1-NE2 2.82Å; H96-Q121 PolarHBondContact CE1-OE1 3.4Å; H96-Q121 PolarHBondContact NE2-OE1 2.89Å; H96-Q121 VanDerWaalsContact NE2-OE1 3.11Å; V112-Q121 CarbonylContact C-O 3.47Å; V112-Q121 WeakPolarHBondContact CA-O 3.38Å; S113-Q121 PolarHBondContact N-O 3.38Å; S113-Q121 PolarHBondContact O-N 2.76Å; S113-Q121 PolarHBondContact OG-O 3.24Å; L119-Q121 HydrophobicContact CD2-CG 4.27Å; L119-Q121 HydrophobicContact CG-CG 4.13Å; Q121-W123 HydrophobicContact CB-CZ2 4.47Å; Q121-V130 HydrophobicContact CB-CG1 4.35Å; Q121-H133 HydrophobicContact CG-CB 4.37Å |
| 122 | V | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127 | 174 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | F110 L111 V112 V130 V131 S132 V170 | F110-V122 HydrophobicContact CB-CG1 3.83Å; F110-V122 HydrophobicContact CD1-CG1 4.11Å; F110-V122 HydrophobicContact CG-CG1 4.2Å; L111-V122 CarbonylContact O-C 3.45Å; L111-V122 WeakPolarHBondContact O-CA 3.39Å; V112-V122 HydrophobicContact CG2-CG2 4.26Å; V122-V130 CarbonylContact O-C 3.48Å; V122-V130 WeakPolarHBondContact O-CA 3.33Å; V122-V131 PolarHBondContact O-N 3.35Å; V122-S132 WeakPolarHBondContact CB-OG 3.48Å; V122-S132 WeakPolarHBondContact CG2-OG 3.33Å; V122-S132 PolarHBondContact N-O 3.04Å; V122-V170 HydrophobicContact CG2-CB 3.8Å; V122-V170 HydrophobicContact CG2-CG1 3.09Å |
| 123 | W | 92.6 | Very high | 91.2 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.9 | -177.5 | -51.1 | 81.6 | 0 | 0 | 0 | 109.8 | I80 L93 H95 F110 L111 S113 Q121 W128 E129 V130 | I80-W123 HydrophobicContact CD1-CZ2 3.84Å; L93-W123 HydrophobicContact CB-CH2 4.16Å; L93-W123 HydrophobicContact CB-CZ3 4.25Å; L93-W123 HydrophobicContact CD1-CD2 4.35Å; L93-W123 HydrophobicContact CD1-CE3 3.88Å; L93-W123 HydrophobicContact CD1-CH2 4.31Å; L93-W123 HydrophobicContact CD1-CZ3 3.85Å; L93-W123 HydrophobicContact CG-CZ3 4.49Å; H95-W123 HydrophobicContact CB-CH2 3.48Å; H95-W123 VanDerWaalsContact CB-CH2 3.48Å; H95-W123 HydrophobicContact CB-CZ2 4.12Å; H95-W123 HydrophobicContact CB-CZ3 4.45Å; F110-W123 CarbonylContact C-O 3.56Å; F110-W123 WeakPolarHBondContact CA-O 3.34Å; F110-W123 WeakPolarHBondContact CB-O 3.47Å; L111-W123 HydrophobicContact CB-CB 4.18Å; L111-W123 HydrophobicContact CD2-CG 4.43Å; L111-W123 PolarHBondContact N-O 3.21Å; L111-W123 PolarHBondContact O-N 2.77Å; S113-W123 PolarHBondContact OG-NE1 3.31Å; Q121-W123 HydrophobicContact CB-CZ2 4.47Å; W123-W128 HydrophobicContact CB-CE3 4.46Å; W123-W128 VanDerWaalsContact CE3-O 3.31Å; W123-E129 WeakPolarHBondContact CA-O 3.44Å; W123-V130 HydrophobicContact CD2-CG2 4Å; W123-V130 HydrophobicContact CE3-CG2 3.58Å; W123-V130 HydrophobicContact CH2-CG2 3.72Å; W123-V130 HydrophobicContact CZ2-CG2 4.07Å; W123-V130 HydrophobicContact CZ3-CG2 3.43Å; W123-V130 VanDerWaalsContact CZ3-CG2 3.43Å |
| 124 | N | 91.6 | Very high | 91.1 | Very high | 50 Ų | 50 | 41.8 Ų | 41.8 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126.7 | 168.7 | -175.2 | -21.5 | 0 | 0 | 0 | 109.6 | K126 W128 E129 V131 | N124-K126 PolarHBondContact O-N 3.36Å; N124-K126 PolarHBondContact OD1-N 2.86Å; N124-W128 WeakPolarHBondContact O-CA 3.42Å; N124-W128 PolarHBondContact O-N 3.48Å; N124-E129 PolarHBondContact N-O 2.85Å; N124-V131 HydrophobicContact CB-CG2 3.85Å |
| 125 | S | 86.3 | Confident | 91 | Very high | 25 Ų | 25 | 49 Ų | 49 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18 | -177.3 | 70.8 | 0 | 0 | 0 | 0 | 114 | N108 S109 | N108-S125 PolarHBondContact O-OG 3.11Å; S109-S125 WeakPolarHBondContact CA-OG 3.17Å; S109-S125 WeakPolarHBondContact O-CB 3.32Å; S109-S125 PolarHBondContact O-N 2.82Å; S109-S125 PolarHBondContact O-OG 2.79Å |
| 126 | K | 86.7 | Confident | 90.8 | Very high | 189 Ų | 189 | 49.5 Ų | 49.5 | 82% | 0.822 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -46.6 | 179.6 | -65.1 | -175.7 | -180 | -179 | 0 | 113.2 | N124 | N124-K126 PolarHBondContact O-N 3.36Å; N124-K126 PolarHBondContact OD1-N 2.86Å |
| 127 | S | 88 | Confident | 90.7 | Very high | 51 Ų | 51 | 48 Ų | 48 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -16.7 | -178.4 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | E129 | S127-E129 PolarHBondContact O-N 2.97Å; S127-E129 PolarHBondContact OG-OE2 3.06Å |
| 128 | W | 89.3 | Confident | 90.5 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 10% | 0.095 | 26% | 0.259 | C | S | . | . | trans | 55.8 | 25.4 | -171.8 | -60.1 | 109.6 | 0 | 0 | 0 | 114.4 | V71 V73 I82 L93 L111 W123 N124 | V71-W128 HydrophobicContact CG1-CZ2 4.31Å; V73-W128 HydrophobicContact CG2-CH2 3.78Å; V73-W128 HydrophobicContact CG2-CZ3 4.32Å; I82-W128 HydrophobicContact CD1-CB 4.43Å; I82-W128 HydrophobicContact CD1-CD2 3.34Å; I82-W128 VanDerWaalsContact CD1-CE2 3.44Å; I82-W128 HydrophobicContact CD1-CE3 3.73Å; I82-W128 HydrophobicContact CD1-CG 3.66Å; I82-W128 HydrophobicContact CD1-CH2 4.23Å; I82-W128 HydrophobicContact CD1-CZ2 3.9Å; I82-W128 HydrophobicContact CD1-CZ3 4.16Å; I82-W128 HydrophobicContact CG1-CD2 4.38Å; I82-W128 HydrophobicContact CG1-CE3 4.48Å; I82-W128 HydrophobicContact CG1-CH2 4.28Å; I82-W128 HydrophobicContact CG1-CZ2 4.17Å; I82-W128 HydrophobicContact CG1-CZ3 4.44Å; I82-W128 HydrophobicContact CG2-CH2 4.46Å; I82-W128 HydrophobicContact CG2-CZ2 3.79Å; L93-W128 HydrophobicContact CD1-CB 4.13Å; L93-W128 HydrophobicContact CD1-CD2 4.46Å; L93-W128 HydrophobicContact CD1-CE3 4.03Å; L93-W128 HydrophobicContact CD2-CB 3.95Å; L111-W128 HydrophobicContact CB-CZ3 4.21Å; L111-W128 HydrophobicContact CD2-CZ3 3.88Å; W123-W128 HydrophobicContact CB-CE3 4.46Å; W123-W128 VanDerWaalsContact CE3-O 3.31Å; N124-W128 WeakPolarHBondContact O-CA 3.42Å; N124-W128 PolarHBondContact O-N 3.48Å | ||
| 129 | E | 91 | Very high | 90.4 | Very high | 132 Ų | 132 | 58 Ų | 58 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | trans | -90.5 | 149.6 | 171.7 | -65.2 | 170.9 | 152.9 | 0 | 0 | 110.7 | W123 N124 S127 V131 | W123-E129 WeakPolarHBondContact CA-O 3.44Å; N124-E129 PolarHBondContact N-O 2.85Å; S127-E129 PolarHBondContact O-N 2.97Å; S127-E129 PolarHBondContact OG-OE2 3.06Å; E129-V131 PolarHBondContact O-N 3.5Å | ||
| 130 | V | 91 | Very high | 90.1 | Very high | 47 Ų | 47 | 59.4 Ų | 59.4 | 29% | 0.285 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 119.9 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | Q121 V122 W123 S132 | Q121-V130 HydrophobicContact CB-CG1 4.35Å; V122-V130 CarbonylContact O-C 3.48Å; V122-V130 WeakPolarHBondContact O-CA 3.33Å; W123-V130 HydrophobicContact CD2-CG2 4Å; W123-V130 HydrophobicContact CE3-CG2 3.58Å; W123-V130 HydrophobicContact CH2-CG2 3.72Å; W123-V130 HydrophobicContact CZ2-CG2 4.07Å; W123-V130 HydrophobicContact CZ3-CG2 3.43Å; W123-V130 VanDerWaalsContact CZ3-CG2 3.43Å; V130-S132 WeakPolarHBondContact CG1-O 3.33Å |
| 131 | V | 91.5 | Very high | 90 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 38% | 0.376 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -42.3 | 179 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | F110 V122 N124 E129 | F110-V131 HydrophobicContact CD1-CG2 4.27Å; F110-V131 HydrophobicContact CE1-CG2 4.11Å; V122-V131 PolarHBondContact O-N 3.35Å; N124-V131 HydrophobicContact CB-CG2 3.85Å; E129-V131 PolarHBondContact O-N 3.5Å |
| 132 | S | 91.1 | Very high | 90 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 159 | -179.2 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | V122 V130 V170 | V122-S132 WeakPolarHBondContact CB-OG 3.48Å; V122-S132 WeakPolarHBondContact CG2-OG 3.33Å; V122-S132 PolarHBondContact N-O 3.04Å; V130-S132 WeakPolarHBondContact CG1-O 3.33Å; S132-V170 WeakPolarHBondContact CB-O 3.47Å; S132-V170 PolarHBondContact OG-O 2.9Å |
| 133 | H | 92 | Very high | 90 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 39% | 0.389 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.7 | 171.4 | 60.3 | -94.8 | 0 | 0 | 0 | 109.9 | L119 T120 Q121 R173 | L119-H133 HydrophobicContact CD1-CB 4.15Å; T120-H133 CarbonylContact O-C 3.56Å; T120-H133 WeakPolarHBondContact O-CA 3.46Å; Q121-H133 HydrophobicContact CG-CB 4.37Å; H133-R173 PolarHBondContact CE1-NH1 2.97Å; H133-R173 PolarHBondContact NE2-NH1 3.18Å |
| 134 | I | 92.9 | Very high | 90 | Very high | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.4 | 176.7 | -58.1 | 171.2 | 0 | 0 | 0 | 106.8 | T120 F136 W168 V170 | T120-I134 PolarHBondContact N-O 3.45Å; T120-I134 PolarHBondContact O-N 2.88Å; I134-F136 HydrophobicContact CG2-CD2 4.48Å; I134-F136 HydrophobicContact CG2-CE1 4.29Å; I134-F136 HydrophobicContact CG2-CE2 4.02Å; I134-F136 HydrophobicContact CG2-CZ 3.91Å; I134-W168 HydrophobicContact CD1-CD2 4.22Å; I134-W168 HydrophobicContact CD1-CE3 3.73Å; I134-W168 HydrophobicContact CD1-CZ3 4.26Å; I134-W168 HydrophobicContact CG1-CE3 4.44Å; I134-W168 HydrophobicContact CG1-CZ3 4.5Å; I134-W168 HydrophobicContact CG2-CE3 4.21Å; I134-W168 HydrophobicContact CG2-CH2 3.94Å; I134-W168 HydrophobicContact CG2-CZ2 4.3Å; I134-W168 HydrophobicContact CG2-CZ3 3.89Å; I134-V170 HydrophobicContact CD1-CB 4.47Å; I134-V170 HydrophobicContact CD1-CG1 3.57Å |
| 135 | E | 91.7 | Very high | 90 | Very high | 154 Ų | 154 | 61.4 Ų | 61.4 | 72% | 0.72 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.6 | 176.7 | -70.8 | 178.5 | -177.7 | 0 | 0 | 109.9 | L119 | L119-E135 HydrophobicContact CD1-CG 3.71Å |
| 136 | F | 90.1 | Very high | 90.3 | Very high | 14 Ų | 14 | 61.6 Ų | 61.6 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | trans | -94.7 | 133.9 | 172.3 | -66.4 | -73.1 | 0 | 0 | 0 | 110.3 | G118 T120 I134 T138 F141 V143 F158 W168 | G118-F136 WeakPolarHBondContact O-CD2 3.33Å; G118-F136 PolarHBondContact O-N 2.79Å; T120-F136 WeakPolarHBondContact OG1-CD2 3.42Å; T120-F136 VanDerWaalsContact OG1-CE2 3.27Å; T120-F136 WeakPolarHBondContact OG1-CE2 3.49Å; I134-F136 HydrophobicContact CG2-CD2 4.48Å; I134-F136 HydrophobicContact CG2-CE1 4.29Å; I134-F136 HydrophobicContact CG2-CE2 4.02Å; I134-F136 HydrophobicContact CG2-CZ 3.91Å; F136-T138 PolarHBondContact O-N 3.49Å; F136-F141 AromaticContact CD1-CD1 3.84Å; F136-F141 HydrophobicContact CD1-CD1 3.84Å; F136-F141 HydrophobicContact CD1-CE1 4.46Å; F136-F141 HydrophobicContact CE1-CD1 4.2Å; F136-F141 HydrophobicContact CE1-CE1 4.4Å; F136-F141 HydrophobicContact CG-CD1 4.38Å; F136-V143 HydrophobicContact CD2-CG2 3.76Å; F136-V143 HydrophobicContact CE2-CG2 4.1Å; F136-V143 HydrophobicContact CG-CG2 4.13Å; F136-F158 HydrophobicContact CE2-CD1 4.24Å; F136-F158 HydrophobicContact CE2-CE1 4.09Å; F136-F158 HydrophobicContact CE2-CE2 4.47Å; F136-F158 HydrophobicContact CE2-CG 4.49Å; F136-F158 HydrophobicContact CE2-CZ 4.21Å; F136-F158 HydrophobicContact CZ-CD1 4.33Å; F136-F158 AromaticContact CZ-CD2 4Å; F136-F158 HydrophobicContact CZ-CD2 4Å; F136-F158 HydrophobicContact CZ-CE1 4.39Å; F136-F158 HydrophobicContact CZ-CE2 4.06Å; F136-F158 HydrophobicContact CZ-CG 4.13Å; F136-F158 HydrophobicContact CZ-CZ 4.26Å; F136-W168 AromaticContact CE1-CE2 3.8Å; F136-W168 AromaticContact CE1-CZ2 3.94Å; F136-W168 HydrophobicContact CE1-CZ2 3.94Å; F136-W168 AromaticContact CE1-NE1 3.53Å; F136-W168 AromaticContact CZ-NE1 3.82Å | ||
| 137 | S | 88.5 | Confident | 90.6 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 52% | 0.517 | 29% | 0.292 | S | S | . | . | trans | -74.5 | 112.1 | 170.2 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | K139 A140 F141 | S137-K139 PolarHBondContact O-N 3.13Å; S137-K139 VanDerWaalsContact O-N 3.08Å; S137-A140 PolarHBondContact O-N 3.17Å; S137-F141 CarbonylContact O-C 3.55Å; S137-F141 PolarHBondContact O-N 3.04Å | ||
| 138 | T | 84.1 | Confident | 90.7 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -30.6 | -179.7 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | F136 Q162 | F136-T138 PolarHBondContact O-N 3.49Å; T138-Q162 PolarHBondContact O-NE2 2.91Å; T138-Q162 VanDerWaalsContact O-NE2 3.15Å |
| 139 | K | 86.2 | Confident | 90.7 | Very high | 188 Ų | 188 | 51.8 Ų | 51.8 | 82% | 0.817 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -39.8 | 176 | -65.9 | -176.2 | 179.8 | 179.2 | 0 | 112.7 | S137 Q162 | S137-K139 PolarHBondContact O-N 3.13Å; S137-K139 VanDerWaalsContact O-N 3.08Å; K139-Q162 PolarHBondContact O-NE2 3.29Å; K139-Q162 VanDerWaalsContact O-NE2 3.1Å |
| 140 | A | 88.3 | Confident | 90.3 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 50% | 0.496 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -39.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S137 | S137-A140 PolarHBondContact O-N 3.17Š|
| 141 | F | 90.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | trans | -150.5 | 90.2 | -174 | -165.1 | -91.1 | 0 | 0 | 0 | 109.8 | F136 S137 V143 F158 S160 P164 Q166 W178 | F136-F141 AromaticContact CD1-CD1 3.84Å; F136-F141 HydrophobicContact CD1-CD1 3.84Å; F136-F141 HydrophobicContact CD1-CE1 4.46Å; F136-F141 HydrophobicContact CE1-CD1 4.2Å; F136-F141 HydrophobicContact CE1-CE1 4.4Å; F136-F141 HydrophobicContact CG-CD1 4.38Å; S137-F141 CarbonylContact O-C 3.55Å; S137-F141 PolarHBondContact O-N 3.04Å; F141-V143 HydrophobicContact CD1-CG2 4.12Å; F141-V143 HydrophobicContact CE1-CG2 4.06Å; F141-F158 HydrophobicContact CE1-CB 3.72Å; F141-F158 HydrophobicContact CZ-CB 3.95Å; F141-S160 VanDerWaalsContact CD2-CB 3.47Å; F141-S160 WeakPolarHBondContact CE2-OG 3.42Å; F141-P164 HydrophobicContact CD2-CG 4.21Å; F141-P164 HydrophobicContact CE2-CG 4.27Å; F141-P164 WeakPolarHBondContact CE2-O 3.31Å; F141-Q166 HydrophobicContact CD2-CG 4.05Å; F141-Q166 HydrophobicContact CE1-CB 4.47Å; F141-Q166 HydrophobicContact CE1-CG 4.41Å; F141-Q166 HydrophobicContact CE2-CB 4.17Å; F141-Q166 HydrophobicContact CE2-CG 3.52Å; F141-Q166 HydrophobicContact CZ-CB 3.87Å; F141-Q166 HydrophobicContact CZ-CG 3.73Å; F141-W178 HydrophobicContact CD2-CH2 4.35Å | ||
| 142 | C | 92.7 | Very high | 89.6 | Confident | 48 Ų | 48 | 50.6 Ų | 50.6 | 32% | 0.324 | 27% | 0.272 | S | S | . | . | trans | -86.4 | 112.3 | 173.8 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | T144 S160 Y161 | C142-T144 PolarHBondContact O-N 2.71Å; C142-S160 CarbonylContact O-C 3.45Å; C142-S160 WeakPolarHBondContact O-CA 3.37Å; C142-S160 WeakPolarHBondContact O-CB 3.03Å; C142-Y161 PolarHBondContact O-N 3.49Å | ||
| 143 | V | 93.7 | Very high | 89.5 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 10% | 0.097 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 126.3 | -179.1 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | V114 F136 F141 F158 G159 | V114-V143 HydrophobicContact CG1-CB 4.1Å; V114-V143 HydrophobicContact CG1-CG1 4.23Å; V114-V143 HydrophobicContact CG1-CG2 4.32Å; F136-V143 HydrophobicContact CD2-CG2 3.76Å; F136-V143 HydrophobicContact CE2-CG2 4.1Å; F136-V143 HydrophobicContact CG-CG2 4.13Å; F141-V143 HydrophobicContact CD1-CG2 4.12Å; F141-V143 HydrophobicContact CE1-CG2 4.06Å; V143-F158 HydrophobicContact CG1-CD1 3.9Å; V143-F158 HydrophobicContact CG2-CD1 4.18Å; V143-G159 WeakPolarHBondContact CA-O 3.08Å |
| 144 | T | 92.2 | Very high | 89.3 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | -24.9 | 178.1 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | H102 C142 G159 Y161 V186 | H102-T144 PolarHBondContact CE1-O 2.96Å; H102-T144 PolarHBondContact NE2-O 3.02Å; C142-T144 PolarHBondContact O-N 2.71Å; T144-G159 PolarHBondContact N-O 2.9Å; T144-G159 PolarHBondContact OG1-O 2.89Å; T144-Y161 HydrophobicContact CG2-CD2 4.25Å; T144-Y161 HydrophobicContact CG2-CG 4.43Å; T144-Y161 VanDerWaalsContact CG2-N 3.33Å; T144-V186 WeakPolarHBondContact CB-O 3.33Å; T144-V186 PolarHBondContact OG1-O 2.84Å |
| 145 | S | 92.4 | Very high | 89.3 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 154.6 | -178.2 | 54.9 | 0 | 0 | 0 | 0 | 109.6 | G159 V186 L189 | S145-G159 PolarHBondContact O-N 2.8Å; S145-V186 WeakPolarHBondContact OG-CG1 3.06Å; S145-L189 WeakPolarHBondContact OG-CD1 3.23Å; S145-L189 WeakPolarHBondContact OG-CG 3.25Å |
| 146 | L | 93.6 | Very high | 89.4 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 146.8 | -179.4 | 56.3 | 74.4 | 0 | 0 | 0 | 110 | H102 C104 V114 V156 L157 F158 | H102-L146 HydrophobicContact CB-CD2 3.35Å; H102-L146 HydrophobicContact CB-CG 3.96Å; C104-L146 HydrophobicContact CB-CD1 3.3Å; C104-L146 HydrophobicContact CB-CG 4.49Å; V114-L146 HydrophobicContact CG2-CD2 3.61Å; L146-V156 HydrophobicContact CB-CG1 4.35Å; L146-L157 WeakPolarHBondContact CA-O 3.45Å; L146-F158 HydrophobicContact CB-CD1 4.21Å; L146-F158 HydrophobicContact CB-CE1 4.45Å |
| 147 | I | 92.2 | Very high | 89.6 | Confident | 20 Ų | 20 | 48.6 Ų | 48.6 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 149.5 | 175.6 | -167.6 | 163.7 | 0 | 0 | 0 | 110.4 | P149 L157 L189 Q191 | I147-P149 WeakPolarHBondContact O-CD 3.43Å; I147-L157 HydrophobicContact CG2-CB 3.86Å; I147-L157 HydrophobicContact CG2-CD2 4.02Å; I147-L157 HydrophobicContact CG2-CG 4.41Å; I147-L157 PolarHBondContact N-O 3.03Å; I147-L157 PolarHBondContact O-N 2.81Å; I147-L189 HydrophobicContact CB-CB 4.22Å; I147-L189 HydrophobicContact CG2-CB 3.92Å; I147-L189 HydrophobicContact CG2-CD1 4.13Å; I147-Q191 HydrophobicContact CD1-CB 3.82Å |
| 148 | N | 90.3 | Very high | 89.9 | Confident | 37 Ų | 37 | 45 Ų | 45 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | trans | -95.6 | 106.9 | 165.5 | 179.2 | 3.6 | 0 | 0 | 0 | 109.1 | L106 K155 | L106-N148 HydrophobicContact CD2-CB 3.8Å; N148-K155 PolarHBondContact OD1-O 3.22Å | ||
| 149 | P | 88.7 | Confident | 90.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | trans | -63.5 | 138.8 | 177.7 | -18.6 | 31.9 | 0 | 0 | 0 | 111.5 | I147 N151 Y152 L157 L212 | I147-P149 WeakPolarHBondContact O-CD 3.43Å; P149-N151 PolarHBondContact O-N 2.8Å; P149-Y152 HydrophobicContact CB-CD1 4.34Å; P149-Y152 HydrophobicContact CB-CD2 3.7Å; P149-Y152 HydrophobicContact CB-CE2 4.23Å; P149-Y152 HydrophobicContact CB-CG 3.79Å; P149-Y152 HydrophobicContact CG-CD1 4.39Å; P149-Y152 HydrophobicContact CG-CG 4.22Å; P149-Y152 WeakPolarHBondContact O-CB 3.15Å; P149-Y152 PolarHBondContact O-N 3.02Å; P149-L157 HydrophobicContact CG-CB 4.11Å; P149-L212 HydrophobicContact CB-CD1 4.06Å; P149-L212 HydrophobicContact CG-CD1 3.93Å | ||
| 150 | I | 82.8 | Confident | 90.8 | Very high | 80 Ų | 80 | 32.9 Ų | 32.9 | 41% | 0.41 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 134.3 | 178.7 | -68.6 | 165.1 | 0 | 0 | 0 | 109.2 | Y152 Q191 F195 | I150-Y152 VanDerWaalsContact C-N 3.32Å; I150-Y152 WeakPolarHBondContact O-CD2 3.29Å; I150-Y152 PolarHBondContact O-N 2.6Å; I150-Q191 HydrophobicContact CB-CG 4.2Å; I150-Q191 HydrophobicContact CD1-CG 3.56Å; I150-Q191 HydrophobicContact CG1-CG 3.78Å; I150-F195 HydrophobicContact CG2-CE1 4.48Å |
| 151 | N | 82.8 | Confident | 91 | Very high | 109 Ų | 109 | 37.5 Ų | 37.5 | 58% | 0.583 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 2.3 | -174.7 | -56.4 | -24 | 0 | 0 | 0 | 116.6 | P149 K153 F195 | P149-N151 PolarHBondContact O-N 2.8Å; N151-K153 PolarHBondContact O-N 3.44Å; N151-F195 WeakPolarHBondContact ND2-CD1 3.3Å; N151-F195 WeakPolarHBondContact ND2-CE1 3.42Å |
| 152 | Y | 85.2 | Confident | 91.1 | Very high | 28 Ų | 28 | 40.9 Ų | 40.9 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | trans | -94.8 | 84 | 179.2 | -76.5 | -125.3 | 0 | 0 | 0 | 110.5 | P149 I150 N154 K155 L167 D196 | P149-Y152 HydrophobicContact CB-CD1 4.34Å; P149-Y152 HydrophobicContact CB-CD2 3.7Å; P149-Y152 HydrophobicContact CB-CE2 4.23Å; P149-Y152 HydrophobicContact CB-CG 3.79Å; P149-Y152 HydrophobicContact CG-CD1 4.39Å; P149-Y152 HydrophobicContact CG-CG 4.22Å; P149-Y152 WeakPolarHBondContact O-CB 3.15Å; P149-Y152 PolarHBondContact O-N 3.02Å; I150-Y152 VanDerWaalsContact C-N 3.32Å; I150-Y152 WeakPolarHBondContact O-CD2 3.29Å; I150-Y152 PolarHBondContact O-N 2.6Å; Y152-N154 PolarHBondContact O-N 2.9Å; Y152-K155 HydrophobicContact CD1-CB 4.29Å; Y152-K155 HydrophobicContact CD1-CD 3.56Å; Y152-K155 HydrophobicContact CD1-CG 4.43Å; Y152-K155 HydrophobicContact CE1-CD 4.45Å; Y152-K155 HydrophobicContact CG-CD 4.19Å; Y152-K155 PolarHBondContact O-N 2.93Å; Y152-K155 VanDerWaalsContact O-N 3.15Å; Y152-L167 HydrophobicContact CD1-CD1 4.19Å; Y152-L167 HydrophobicContact CD1-CD2 4.09Å; Y152-L167 HydrophobicContact CE1-CD2 3.92Å; Y152-D196 WeakPolarHBondContact CE2-OD1 3.24Å; Y152-D196 VanDerWaalsContact CZ-OD1 3.27Å; Y152-D196 PolarHBondContact OH-OD1 2.84Å | ||
| 153 | K | 87.7 | Confident | 90.9 | Very high | 129 Ų | 129 | 38.7 Ų | 38.7 | 56% | 0.561 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 125.5 | 178.9 | -174.8 | 173.7 | -174.4 | -176.6 | 0 | 111.9 | E107 N151 K155 | E107-K153 WeakPolarHBondContact OE1-CA 3.43Å; E107-K153 WeakPolarHBondContact OE1-CB 3.31Å; N151-K153 PolarHBondContact O-N 3.44Å; K153-K155 WeakPolarHBondContact O-CG 3.37Å; K153-K155 PolarHBondContact O-N 3.28Å; K153-K155 PolarHBondContact O-NZ 3.45Å |
| 154 | N | 88.7 | Confident | 90.9 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 16% | 0.16 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 12.6 | -179.5 | -54.3 | -25.5 | 0 | 0 | 0 | 115.4 | Y152 D169 V170 I171 | Y152-N154 PolarHBondContact O-N 2.9Å; N154-D169 WeakPolarHBondContact O-CA 3.09Å; N154-V170 PolarHBondContact O-N 2.77Å; N154-I171 HydrophobicContact CB-CD1 4.01Å; N154-I171 HydrophobicContact CB-CG1 4.04Å; N154-I171 WeakPolarHBondContact ND2-CD1 3.43Å; N154-I171 WeakPolarHBondContact OD1-CD1 3.42Å |
| 155 | K | 92.8 | Very high | 91.1 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 27% | 0.265 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.2 | -179.1 | -37.4 | 174.5 | 170.7 | 70.3 | 0 | 111.6 | N148 Y152 K153 L167 W168 I176 | N148-K155 PolarHBondContact OD1-O 3.22Å; Y152-K155 HydrophobicContact CD1-CB 4.29Å; Y152-K155 HydrophobicContact CD1-CD 3.56Å; Y152-K155 HydrophobicContact CD1-CG 4.43Å; Y152-K155 HydrophobicContact CE1-CD 4.45Å; Y152-K155 HydrophobicContact CG-CD 4.19Å; Y152-K155 PolarHBondContact O-N 2.93Å; Y152-K155 VanDerWaalsContact O-N 3.15Å; K153-K155 WeakPolarHBondContact O-CG 3.37Å; K153-K155 PolarHBondContact O-N 3.28Å; K153-K155 PolarHBondContact O-NZ 3.45Å; K155-L167 HydrophobicContact CB-CD1 3.92Å; K155-L167 HydrophobicContact CB-CG 4.45Å; K155-L167 HydrophobicContact CD-CD2 4.47Å; K155-W168 CarbonylContact C-O 3.58Å; K155-W168 WeakPolarHBondContact CA-O 3.44Å; K155-W168 WeakPolarHBondContact CB-O 3.43Å; K155-I176 HydrophobicContact CB-CD1 4.24Å; K155-I176 HydrophobicContact CD-CD1 3.37Å; K155-I176 VanDerWaalsContact CE-CD1 3.43Å; K155-I176 HydrophobicContact CG-CD1 3.67Å |
| 156 | V | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.5 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 109 | L106 V112 L146 F158 W168 V170 | L106-V156 HydrophobicContact CD1-CG2 4.15Å; L106-V156 HydrophobicContact CD2-CG2 3.32Å; L106-V156 HydrophobicContact CG-CG2 4.3Å; V112-V156 HydrophobicContact CG2-CG2 4.32Å; L146-V156 HydrophobicContact CB-CG1 4.35Å; V156-F158 HydrophobicContact CB-CD2 4.35Å; V156-F158 HydrophobicContact CB-CE2 3.7Å; V156-F158 HydrophobicContact CB-CZ 3.97Å; V156-F158 HydrophobicContact CG1-CD1 4.29Å; V156-F158 HydrophobicContact CG1-CD2 3.95Å; V156-F158 HydrophobicContact CG1-CE1 3.92Å; V156-F158 HydrophobicContact CG1-CE2 3.54Å; V156-F158 HydrophobicContact CG1-CG 4.31Å; V156-F158 HydrophobicContact CG1-CZ 3.52Å; V156-W168 PolarHBondContact N-O 2.9Å; V156-W168 PolarHBondContact O-N 2.95Å; V156-V170 HydrophobicContact CB-CG2 3.74Å; V156-V170 HydrophobicContact CG2-CG2 3.45Å; V156-V170 VanDerWaalsContact CG2-CG2 3.45Å |
| 157 | L | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.2 | 170.8 | -177.8 | 71 | 0 | 0 | 0 | 108.1 | L146 I147 P149 L165 Q166 L167 F179 L189 C198 L212 | L146-L157 WeakPolarHBondContact CA-O 3.45Å; I147-L157 HydrophobicContact CG2-CB 3.86Å; I147-L157 HydrophobicContact CG2-CD2 4.02Å; I147-L157 HydrophobicContact CG2-CG 4.41Å; I147-L157 PolarHBondContact N-O 3.03Å; I147-L157 PolarHBondContact O-N 2.81Å; P149-L157 HydrophobicContact CG-CB 4.11Å; L157-L165 HydrophobicContact CD1-CB 4Å; L157-L165 HydrophobicContact CD1-CD1 4.45Å; L157-L165 HydrophobicContact CD2-CD1 4.4Å; L157-Q166 WeakPolarHBondContact CA-O 3.37Å; L157-L167 HydrophobicContact CB-CD1 4.3Å; L157-L167 HydrophobicContact CD1-CB 4.37Å; L157-F179 HydrophobicContact CD1-CD2 4.04Å; L157-F179 HydrophobicContact CD1-CE2 3.67Å; L157-L189 HydrophobicContact CD2-CD1 4.29Å; L157-L189 HydrophobicContact CG-CD1 4.31Å; L157-C198 HydrophobicContact CD2-CB 4.49Å; L157-L212 HydrophobicContact CD1-CD2 4.26Å; L157-L212 HydrophobicContact CD2-CD1 4.06Å; L157-L212 HydrophobicContact CD2-CD2 3.74Å |
| 158 | F | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.9 | 175 | -63.1 | -89.2 | 0 | 0 | 0 | 109.6 | V114 T120 F136 F141 V143 L146 V156 L165 Q166 W168 | V114-F158 HydrophobicContact CG2-CE1 4.16Å; T120-F158 HydrophobicContact CG2-CE1 4.15Å; T120-F158 HydrophobicContact CG2-CZ 4Å; F136-F158 HydrophobicContact CE2-CD1 4.24Å; F136-F158 HydrophobicContact CE2-CE1 4.09Å; F136-F158 HydrophobicContact CE2-CE2 4.47Å; F136-F158 HydrophobicContact CE2-CG 4.49Å; F136-F158 HydrophobicContact CE2-CZ 4.21Å; F136-F158 HydrophobicContact CZ-CD1 4.33Å; F136-F158 AromaticContact CZ-CD2 4Å; F136-F158 HydrophobicContact CZ-CD2 4Å; F136-F158 HydrophobicContact CZ-CE1 4.39Å; F136-F158 HydrophobicContact CZ-CE2 4.06Å; F136-F158 HydrophobicContact CZ-CG 4.13Å; F136-F158 HydrophobicContact CZ-CZ 4.26Å; F141-F158 HydrophobicContact CE1-CB 3.72Å; F141-F158 HydrophobicContact CZ-CB 3.95Å; V143-F158 HydrophobicContact CG1-CD1 3.9Å; V143-F158 HydrophobicContact CG2-CD1 4.18Å; L146-F158 HydrophobicContact CB-CD1 4.21Å; L146-F158 HydrophobicContact CB-CE1 4.45Å; V156-F158 HydrophobicContact CB-CD2 4.35Å; V156-F158 HydrophobicContact CB-CE2 3.7Å; V156-F158 HydrophobicContact CB-CZ 3.97Å; V156-F158 HydrophobicContact CG1-CD1 4.29Å; V156-F158 HydrophobicContact CG1-CD2 3.95Å; V156-F158 HydrophobicContact CG1-CE1 3.92Å; V156-F158 HydrophobicContact CG1-CE2 3.54Å; V156-F158 HydrophobicContact CG1-CG 4.31Å; V156-F158 HydrophobicContact CG1-CZ 3.52Å; F158-L165 CarbonylContact O-C 3.54Å; F158-L165 VanDerWaalsContact O-CA 3.27Å; F158-L165 WeakPolarHBondContact O-CA 3.44Å; F158-Q166 PolarHBondContact N-O 2.94Å; F158-Q166 PolarHBondContact O-N 2.94Å; F158-W168 HydrophobicContact CD2-CB 4.43Å; F158-W168 AromaticContact CD2-CD1 3.76Å; F158-W168 HydrophobicContact CD2-CG 4.32Å; F158-W168 HydrophobicContact CE2-CB 4.03Å; F158-W168 HydrophobicContact CE2-CG 4.2Å |
| 159 | G | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 146.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V143 T144 S145 L165 | V143-G159 WeakPolarHBondContact CA-O 3.08Å; T144-G159 PolarHBondContact N-O 2.9Å; T144-G159 PolarHBondContact OG1-O 2.89Å; S145-G159 PolarHBondContact O-N 2.8Å; G159-L165 VanDerWaalsContact CA-CD2 3.43Å |
| 160 | S | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 155.3 | -178.2 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | F141 C142 Q162 G163 P164 V186 | F141-S160 VanDerWaalsContact CD2-CB 3.47Å; F141-S160 WeakPolarHBondContact CE2-OG 3.42Å; C142-S160 CarbonylContact O-C 3.45Å; C142-S160 WeakPolarHBondContact O-CA 3.37Å; C142-S160 WeakPolarHBondContact O-CB 3.03Å; S160-Q162 PolarHBondContact O-N 3.03Å; S160-G163 PolarHBondContact O-N 3.06Å; S160-G163 VanDerWaalsContact O-N 3.15Å; S160-G163 PolarHBondContact OG-N 3.06Å; S160-P164 PolarHBondContact N-O 2.8Å; S160-P164 WeakPolarHBondContact OG-CD 3.34Å; S160-P164 WeakPolarHBondContact OG-CG 3.16Å; S160-P164 PolarHBondContact OG-O 2.83Å; S160-V186 PolarHBondContact O-N 3.06Å; S160-V186 VanDerWaalsContact O-N 3.08Å |
| 161 | Y | 92.6 | Very high | 92 | Very high | 157 Ų | 157 | 36 Ų | 36 | 62% | 0.616 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -31.3 | 170.4 | -173.4 | -102.1 | 0 | 0 | 0 | 112 | C142 T144 G163 A185 | C142-Y161 PolarHBondContact O-N 3.49Å; T144-Y161 HydrophobicContact CG2-CD2 4.25Å; T144-Y161 HydrophobicContact CG2-CG 4.43Å; T144-Y161 VanDerWaalsContact CG2-N 3.33Å; Y161-G163 PolarHBondContact O-N 2.99Å; Y161-A185 HydrophobicContact CD2-CB 3.81Å; Y161-A185 HydrophobicContact CE2-CB 4.02Å; Y161-A185 HydrophobicContact CG-CB 4.33Å; Y161-A185 WeakPolarHBondContact O-CA 3.43Å; Y161-A185 WeakPolarHBondContact O-CB 3.45Å |
| 162 | Q | 91.9 | Very high | 92.3 | Very high | 75 Ų | 75 | 33.3 Ų | 33.3 | 35% | 0.35 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.8 | 177.4 | -65.6 | 83.7 | -9.1 | 0 | 0 | 113.1 | T138 K139 S160 P164 | T138-Q162 PolarHBondContact O-NE2 2.91Å; T138-Q162 VanDerWaalsContact O-NE2 3.15Å; K139-Q162 PolarHBondContact O-NE2 3.29Å; K139-Q162 VanDerWaalsContact O-NE2 3.1Å; S160-Q162 PolarHBondContact O-N 3.03Å; Q162-P164 VanDerWaalsContact O-CD 3.3Å; Q162-P164 WeakPolarHBondContact O-CD 3.47Å |
| 163 | G | 89.5 | Confident | 92.6 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 104.8 | -30.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | S160 Y161 G181 S184 | S160-G163 PolarHBondContact O-N 3.06Å; S160-G163 VanDerWaalsContact O-N 3.15Å; S160-G163 PolarHBondContact OG-N 3.06Å; Y161-G163 PolarHBondContact O-N 2.99Å; G163-G181 WeakPolarHBondContact O-CA 3.5Å; G163-S184 WeakPolarHBondContact CA-O 3.17Å |
| 164 | P | 93.5 | Very high | 92.9 | Very high | 19 Ų | 19 | 38 Ų | 38 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | trans | -70.6 | 160.3 | 175.7 | 27 | -33.4 | 0 | 0 | 0 | 112.8 | F141 S160 Q162 W178 F179 | F141-P164 HydrophobicContact CD2-CG 4.21Å; F141-P164 HydrophobicContact CE2-CG 4.27Å; F141-P164 WeakPolarHBondContact CE2-O 3.31Å; S160-P164 PolarHBondContact N-O 2.8Å; S160-P164 WeakPolarHBondContact OG-CD 3.34Å; S160-P164 WeakPolarHBondContact OG-CG 3.16Å; S160-P164 PolarHBondContact OG-O 2.83Å; Q162-P164 VanDerWaalsContact O-CD 3.3Å; Q162-P164 WeakPolarHBondContact O-CD 3.47Å; P164-W178 HydrophobicContact CB-CZ2 4.1Å; P164-W178 HydrophobicContact CG-CZ2 3.94Å; P164-F179 WeakPolarHBondContact CB-O 3.46Å | ||
| 165 | L | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 149.5 | 170.6 | -49.9 | 173.3 | 0 | 0 | 0 | 110.1 | L157 F158 G159 F179 F182 V186 L189 I200 | L157-L165 HydrophobicContact CD1-CB 4Å; L157-L165 HydrophobicContact CD1-CD1 4.45Å; L157-L165 HydrophobicContact CD2-CD1 4.4Å; F158-L165 CarbonylContact O-C 3.54Å; F158-L165 VanDerWaalsContact O-CA 3.27Å; F158-L165 WeakPolarHBondContact O-CA 3.44Å; G159-L165 VanDerWaalsContact CA-CD2 3.43Å; L165-F179 HydrophobicContact CB-CB 3.93Å; L165-F179 HydrophobicContact CB-CD2 3.75Å; L165-F179 HydrophobicContact CB-CG 4.16Å; L165-F179 PolarHBondContact O-N 2.83Å; L165-F182 HydrophobicContact CD1-CE2 4.22Å; L165-V186 HydrophobicContact CD2-CB 4.39Å; L165-V186 HydrophobicContact CD2-CG1 4.1Å; L165-V186 HydrophobicContact CD2-CG2 3.77Å; L165-L189 HydrophobicContact CD2-CD1 4.48Å; L165-L189 HydrophobicContact CD2-CD2 4.12Å; L165-I200 HydrophobicContact CD1-CD1 3.63Å; L165-I200 HydrophobicContact CD1-CG1 4.08Å |
| 166 | Q | 94.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.1 | 174.4 | -70.9 | 178.2 | 22.8 | 0 | 0 | 110.7 | F141 L157 F158 L175 W178 | F141-Q166 HydrophobicContact CD2-CG 4.05Å; F141-Q166 HydrophobicContact CE1-CB 4.47Å; F141-Q166 HydrophobicContact CE1-CG 4.41Å; F141-Q166 HydrophobicContact CE2-CB 4.17Å; F141-Q166 HydrophobicContact CE2-CG 3.52Å; F141-Q166 HydrophobicContact CZ-CB 3.87Å; F141-Q166 HydrophobicContact CZ-CG 3.73Å; L157-Q166 WeakPolarHBondContact CA-O 3.37Å; F158-Q166 PolarHBondContact N-O 2.94Å; F158-Q166 PolarHBondContact O-N 2.94Å; Q166-L175 HydrophobicContact CB-CD1 3.82Å; Q166-L175 HydrophobicContact CG-CD1 3.99Å; Q166-W178 HydrophobicContact CG-CD2 4.1Å; Q166-W178 HydrophobicContact CG-CE3 3.71Å; Q166-W178 HydrophobicContact CG-CZ3 4Å |
| 167 | L | 94.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121.9 | 171.7 | -176.8 | 68.9 | 0 | 0 | 0 | 109.4 | Y152 K155 L157 I176 Y177 F179 | Y152-L167 HydrophobicContact CD1-CD1 4.19Å; Y152-L167 HydrophobicContact CD1-CD2 4.09Å; Y152-L167 HydrophobicContact CE1-CD2 3.92Å; K155-L167 HydrophobicContact CB-CD1 3.92Å; K155-L167 HydrophobicContact CB-CG 4.45Å; K155-L167 HydrophobicContact CD-CD2 4.47Å; L157-L167 HydrophobicContact CB-CD1 4.3Å; L157-L167 HydrophobicContact CD1-CB 4.37Å; L167-I176 HydrophobicContact CB-CB 4.5Å; L167-I176 HydrophobicContact CD2-CB 4.24Å; L167-I176 HydrophobicContact CD2-CD1 4.37Å; L167-I176 HydrophobicContact CD2-CG2 4.06Å; L167-I176 HydrophobicContact CG-CB 4.25Å; L167-I176 HydrophobicContact CG-CD1 4.26Å; L167-I176 WeakPolarHBondContact O-CB 3.38Å; L167-I176 PolarHBondContact O-N 3.07Å; L167-Y177 PolarHBondContact N-O 2.89Å; L167-Y177 PolarHBondContact O-N 3.26Å; L167-F179 HydrophobicContact CB-CE2 4.02Å |
| 168 | W | 94.6 | Very high | 93.2 | Very high | 39 Ų | 39 | 51.5 Ų | 51.5 | 15% | 0.148 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142 | -179.3 | -76 | 75.4 | 0 | 0 | 0 | 111.2 | I134 F136 K155 V156 F158 R173 K174 L175 | I134-W168 HydrophobicContact CD1-CD2 4.22Å; I134-W168 HydrophobicContact CD1-CE3 3.73Å; I134-W168 HydrophobicContact CD1-CZ3 4.26Å; I134-W168 HydrophobicContact CG1-CE3 4.44Å; I134-W168 HydrophobicContact CG1-CZ3 4.5Å; I134-W168 HydrophobicContact CG2-CE3 4.21Å; I134-W168 HydrophobicContact CG2-CH2 3.94Å; I134-W168 HydrophobicContact CG2-CZ2 4.3Å; I134-W168 HydrophobicContact CG2-CZ3 3.89Å; F136-W168 AromaticContact CE1-CE2 3.8Å; F136-W168 AromaticContact CE1-CZ2 3.94Å; F136-W168 HydrophobicContact CE1-CZ2 3.94Å; F136-W168 AromaticContact CE1-NE1 3.53Å; F136-W168 AromaticContact CZ-NE1 3.82Å; K155-W168 CarbonylContact C-O 3.58Å; K155-W168 WeakPolarHBondContact CA-O 3.44Å; K155-W168 WeakPolarHBondContact CB-O 3.43Å; V156-W168 PolarHBondContact N-O 2.9Å; V156-W168 PolarHBondContact O-N 2.95Å; F158-W168 HydrophobicContact CD2-CB 4.43Å; F158-W168 AromaticContact CD2-CD1 3.76Å; F158-W168 HydrophobicContact CD2-CG 4.32Å; F158-W168 HydrophobicContact CE2-CB 4.03Å; F158-W168 HydrophobicContact CE2-CG 4.2Å; W168-R173 WeakPolarHBondContact CZ3-O 3.46Å; W168-K174 WeakPolarHBondContact CA-O 3.45Å; W168-L175 HydrophobicContact CD2-CB 4.19Å; W168-L175 HydrophobicContact CD2-CD1 4.24Å; W168-L175 HydrophobicContact CE3-CB 4.38Å; W168-L175 HydrophobicContact CG-CD1 4.32Å; W168-L175 HydrophobicContact CH2-CB 4.17Å; W168-L175 HydrophobicContact CZ2-CB 3.95Å; W168-L175 HydrophobicContact CZ2-CD1 4.1Å; W168-L175 HydrophobicContact CZ3-CB 4.38Å; W168-L175 VanDerWaalsContact NE1-CD1 3.29Å |
| 169 | D | 93.9 | Very high | 93.1 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 110.5 | 154.6 | 177.7 | -4 | 0 | 0 | 0 | 108.2 | N154 I171 S172 R173 K174 I176 | N154-D169 WeakPolarHBondContact O-CA 3.09Å; D169-I171 VanDerWaalsContact C-N 3.3Å; D169-I171 PolarHBondContact O-N 3.47Å; D169-I171 PolarHBondContact OD1-N 2.9Å; D169-I171 VanDerWaalsContact OD1-N 3.13Å; D169-S172 VanDerWaalsContact CB-OG 3.28Å; D169-S172 WeakPolarHBondContact CB-OG 3.43Å; D169-S172 PolarHBondContact OD1-N 3.49Å; D169-S172 VanDerWaalsContact OD2-CB 3.31Å; D169-S172 WeakPolarHBondContact OD2-CB 3.34Å; D169-S172 PolarHBondContact OD2-OG 3.11Å; D169-R173 WeakPolarHBondContact O-CA 3.23Å; D169-R173 PolarHBondContact O-N 2.81Å; D169-K174 PolarHBondContact N-O 3.19Å; D169-K174 PolarHBondContact O-N 3.38Å; D169-I176 HydrophobicContact CB-CD1 3.97Å; D169-I176 HydrophobicContact CB-CG1 4.34Å |
| 170 | V | 91 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -22.3 | -168.6 | -146.9 | 0 | 0 | 0 | 0 | 111.8 | L106 V122 S132 I134 N154 V156 | L106-V170 HydrophobicContact CD1-CG2 4.34Å; V122-V170 HydrophobicContact CG2-CB 3.8Å; V122-V170 HydrophobicContact CG2-CG1 3.09Å; S132-V170 WeakPolarHBondContact CB-O 3.47Å; S132-V170 PolarHBondContact OG-O 2.9Å; I134-V170 HydrophobicContact CD1-CB 4.47Å; I134-V170 HydrophobicContact CD1-CG1 3.57Å; N154-V170 PolarHBondContact O-N 2.77Å; V156-V170 HydrophobicContact CB-CG2 3.74Å; V156-V170 HydrophobicContact CG2-CG2 3.45Å; V156-V170 VanDerWaalsContact CG2-CG2 3.45Å |
| 171 | I | 90.3 | Very high | 92.2 | Very high | 57 Ų | 57 | 61 Ų | 61 | 29% | 0.292 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -48.3 | 177 | -59.3 | -170.9 | 0 | 0 | 0 | 110 | F110 N154 D169 R173 | F110-I171 HydrophobicContact CD2-CD1 4.14Å; F110-I171 HydrophobicContact CE1-CD1 4.31Å; F110-I171 HydrophobicContact CE2-CD1 3.58Å; F110-I171 HydrophobicContact CZ-CD1 3.68Å; N154-I171 HydrophobicContact CB-CD1 4.01Å; N154-I171 HydrophobicContact CB-CG1 4.04Å; N154-I171 WeakPolarHBondContact ND2-CD1 3.43Å; N154-I171 WeakPolarHBondContact OD1-CD1 3.42Å; D169-I171 VanDerWaalsContact C-N 3.3Å; D169-I171 PolarHBondContact O-N 3.47Å; D169-I171 PolarHBondContact OD1-N 2.9Å; D169-I171 VanDerWaalsContact OD1-N 3.13Å; I171-R173 PolarHBondContact O-N 3.14Å |
| 172 | S | 90.4 | Very high | 92 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.3 | 178.8 | 71.2 | 0 | 0 | 0 | 0 | 113.9 | D169 K174 | D169-S172 VanDerWaalsContact CB-OG 3.28Å; D169-S172 WeakPolarHBondContact CB-OG 3.43Å; D169-S172 PolarHBondContact OD1-N 3.49Å; D169-S172 VanDerWaalsContact OD2-CB 3.31Å; D169-S172 WeakPolarHBondContact OD2-CB 3.34Å; D169-S172 PolarHBondContact OD2-OG 3.11Å; S172-K174 PolarHBondContact O-N 2.57Å |
| 173 | R | 91.8 | Very high | 91.8 | Very high | 115 Ų | 115 | 58.9 Ų | 58.9 | 43% | 0.434 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 32.5 | -177.4 | -48.6 | -179.4 | -166.6 | -166.3 | 1.5 | 112.5 | H133 W168 D169 I171 | H133-R173 PolarHBondContact CE1-NH1 2.97Å; H133-R173 PolarHBondContact NE2-NH1 3.18Å; W168-R173 WeakPolarHBondContact CZ3-O 3.46Å; D169-R173 WeakPolarHBondContact O-CA 3.23Å; D169-R173 PolarHBondContact O-N 2.81Å; I171-R173 PolarHBondContact O-N 3.14Å |
| 174 | K | 93.8 | Very high | 91.9 | Very high | 141 Ų | 141 | 59.7 Ų | 59.7 | 61% | 0.613 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.2 | -179.8 | -69.2 | -176.3 | 179.7 | -178.1 | 0 | 110.2 | W168 D169 S172 I176 | W168-K174 WeakPolarHBondContact CA-O 3.45Å; D169-K174 PolarHBondContact N-O 3.19Å; D169-K174 PolarHBondContact O-N 3.38Å; S172-K174 PolarHBondContact O-N 2.57Å; K174-I176 PolarHBondContact O-N 3.07Å |
| 175 | L | 93.7 | Very high | 92 | Very high | 76 Ų | 76 | 59.5 Ų | 59.5 | 40% | 0.398 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 117.8 | 162.8 | 178.5 | 72.3 | 0 | 0 | 0 | 108 | Q166 W168 W178 | Q166-L175 HydrophobicContact CB-CD1 3.82Å; Q166-L175 HydrophobicContact CG-CD1 3.99Å; W168-L175 HydrophobicContact CD2-CB 4.19Å; W168-L175 HydrophobicContact CD2-CD1 4.24Å; W168-L175 HydrophobicContact CE3-CB 4.38Å; W168-L175 HydrophobicContact CG-CD1 4.32Å; W168-L175 HydrophobicContact CH2-CB 4.17Å; W168-L175 HydrophobicContact CZ2-CB 3.95Å; W168-L175 HydrophobicContact CZ2-CD1 4.1Å; W168-L175 HydrophobicContact CZ3-CB 4.38Å; W168-L175 VanDerWaalsContact NE1-CD1 3.29Å; L175-W178 HydrophobicContact CD2-CE3 4.18Å |
| 176 | I | 93.9 | Very high | 92 | Very high | 76 Ų | 76 | 59.6 Ų | 59.6 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -47 | 179.5 | -61.9 | 171.4 | 0 | 0 | 0 | 109.8 | K155 L167 D169 K174 | K155-I176 HydrophobicContact CB-CD1 4.24Å; K155-I176 HydrophobicContact CD-CD1 3.37Å; K155-I176 VanDerWaalsContact CE-CD1 3.43Å; K155-I176 HydrophobicContact CG-CD1 3.67Å; L167-I176 HydrophobicContact CB-CB 4.5Å; L167-I176 HydrophobicContact CD2-CB 4.24Å; L167-I176 HydrophobicContact CD2-CD1 4.37Å; L167-I176 HydrophobicContact CD2-CG2 4.06Å; L167-I176 HydrophobicContact CG-CB 4.25Å; L167-I176 HydrophobicContact CG-CD1 4.26Å; L167-I176 WeakPolarHBondContact O-CB 3.38Å; L167-I176 PolarHBondContact O-N 3.07Å; D169-I176 HydrophobicContact CB-CD1 3.97Å; D169-I176 HydrophobicContact CB-CG1 4.34Å; K174-I176 PolarHBondContact O-N 3.07Å |
| 177 | Y | 94.1 | Very high | 92 | Very high | 100 Ų | 100 | 61.4 Ų | 61.4 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 146.8 | -173.6 | -159.6 | -102 | 0 | 0 | 0 | 112.3 | L167 F179 D215 | L167-Y177 PolarHBondContact N-O 2.89Å; L167-Y177 PolarHBondContact O-N 3.26Å; Y177-F179 AromaticContact CD1-CD1 3.63Å; Y177-F179 HydrophobicContact CD1-CD1 3.63Å; Y177-F179 AromaticContact CD1-CD2 3.88Å; Y177-F179 HydrophobicContact CD1-CD2 3.88Å; Y177-F179 AromaticContact CD1-CE1 3.49Å; Y177-F179 HydrophobicContact CD1-CE1 3.49Å; Y177-F179 VanDerWaalsContact CD1-CE1 3.49Å; Y177-F179 AromaticContact CD1-CE2 3.77Å; Y177-F179 HydrophobicContact CD1-CE2 3.77Å; Y177-F179 AromaticContact CD1-CG 3.82Å; Y177-F179 HydrophobicContact CD1-CG 3.82Å; Y177-F179 AromaticContact CD1-CZ 3.57Å; Y177-F179 HydrophobicContact CD1-CZ 3.57Å; Y177-F179 AromaticContact CE1-CD1 3.58Å; Y177-F179 HydrophobicContact CE1-CD1 3.58Å; Y177-F179 AromaticContact CE1-CE1 3.67Å; Y177-F179 HydrophobicContact CE1-CE1 3.67Å; Y177-F179 HydrophobicContact CE1-CG 4.06Å; Y177-F179 HydrophobicContact CE1-CZ 4.24Å; Y177-F179 HydrophobicContact CG-CZ 4.39Å; Y177-D215 HydrophobicContact CE1-CB 4.1Å; Y177-D215 PolarHBondContact OH-OD2 2.99Å; Y177-D215 VanDerWaalsContact OH-OD2 3.11Å |
| 178 | W | 94 | Very high | 92 | Very high | 122 Ų | 122 | 61.8 Ų | 61.8 | 46% | 0.462 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 112.1 | 174.6 | -173.8 | -66.6 | 0 | 0 | 0 | 108.9 | F141 P164 Q166 L175 | F141-W178 HydrophobicContact CD2-CH2 4.35Å; P164-W178 HydrophobicContact CB-CZ2 4.1Å; P164-W178 HydrophobicContact CG-CZ2 3.94Å; Q166-W178 HydrophobicContact CG-CD2 4.1Å; Q166-W178 HydrophobicContact CG-CE3 3.71Å; Q166-W178 HydrophobicContact CG-CZ3 4Å; L175-W178 HydrophobicContact CD2-CE3 4.18Å |
| 179 | F | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 132.5 | 177.8 | -60.6 | -86.8 | 0 | 0 | 0 | 109.7 | L157 P164 L165 L167 Y177 G181 H210 L212 D215 | L157-F179 HydrophobicContact CD1-CD2 4.04Å; L157-F179 HydrophobicContact CD1-CE2 3.67Å; P164-F179 WeakPolarHBondContact CB-O 3.46Å; L165-F179 HydrophobicContact CB-CB 3.93Å; L165-F179 HydrophobicContact CB-CD2 3.75Å; L165-F179 HydrophobicContact CB-CG 4.16Å; L165-F179 PolarHBondContact O-N 2.83Å; L167-F179 HydrophobicContact CB-CE2 4.02Å; Y177-F179 AromaticContact CD1-CD1 3.63Å; Y177-F179 HydrophobicContact CD1-CD1 3.63Å; Y177-F179 AromaticContact CD1-CD2 3.88Å; Y177-F179 HydrophobicContact CD1-CD2 3.88Å; Y177-F179 AromaticContact CD1-CE1 3.49Å; Y177-F179 HydrophobicContact CD1-CE1 3.49Å; Y177-F179 VanDerWaalsContact CD1-CE1 3.49Å; Y177-F179 AromaticContact CD1-CE2 3.77Å; Y177-F179 HydrophobicContact CD1-CE2 3.77Å; Y177-F179 AromaticContact CD1-CG 3.82Å; Y177-F179 HydrophobicContact CD1-CG 3.82Å; Y177-F179 AromaticContact CD1-CZ 3.57Å; Y177-F179 HydrophobicContact CD1-CZ 3.57Å; Y177-F179 AromaticContact CE1-CD1 3.58Å; Y177-F179 HydrophobicContact CE1-CD1 3.58Å; Y177-F179 AromaticContact CE1-CE1 3.67Å; Y177-F179 HydrophobicContact CE1-CE1 3.67Å; Y177-F179 HydrophobicContact CE1-CG 4.06Å; Y177-F179 HydrophobicContact CE1-CZ 4.24Å; Y177-F179 HydrophobicContact CG-CZ 4.39Å; F179-G181 PolarHBondContact O-N 2.9Å; F179-H210 AromaticContact CD1-NE2 3.85Å; F179-L212 HydrophobicContact CE1-CD2 4.23Å; F179-L212 WeakPolarHBondContact CE1-O 3.45Å; F179-L212 HydrophobicContact CE2-CD2 4.29Å; F179-L212 HydrophobicContact CZ-CB 4.17Å; F179-L212 HydrophobicContact CZ-CD2 3.86Å; F179-L212 WeakPolarHBondContact CZ-O 3.4Å; F179-D215 HydrophobicContact CD1-CB 4.48Å; F179-D215 VanDerWaalsContact CD1-OD1 3.3Å; F179-D215 WeakPolarHBondContact CD1-OD1 3.25Å; F179-D215 HydrophobicContact CE1-CB 4.47Å |
| 180 | K | 86 | Confident | 92 | Very high | 174 Ų | 174 | 62.7 Ų | 62.7 | 76% | 0.757 | 31% | 0.307 | S | S | * | . | trans | -63.2 | 123.3 | 169 | -67.6 | -177.9 | -179.2 | 178.3 | 0 | 107.4 | ||||
| 181 | G | 83.6 | Confident | 91.9 | Very high | 26 Ų | 26 | 63.5 Ų | 63.5 | 27% | 0.268 | 31% | 0.311 | S | S | . | . | trans | -64.7 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G163 F179 | G163-G181 WeakPolarHBondContact O-CA 3.5Å; F179-G181 PolarHBondContact O-N 2.9Å | ||
| 182 | F | 87.7 | Confident | 91.9 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 11% | 0.114 | 30% | 0.3 | C | S | . | . | trans | -107.1 | 26.9 | -174.2 | -52.5 | -80.5 | 0 | 0 | 0 | 113.5 | L165 S184 I200 L202 R206 V208 T217 | L165-F182 HydrophobicContact CD1-CE2 4.22Å; F182-S184 PolarHBondContact O-N 2.79Å; F182-S184 VanDerWaalsContact O-N 3.17Å; F182-I200 HydrophobicContact CD2-CG2 4.32Å; F182-I200 HydrophobicContact CE2-CD1 3.55Å; F182-I200 HydrophobicContact CE2-CG2 4.25Å; F182-I200 HydrophobicContact CZ-CD1 3.69Å; F182-L202 HydrophobicContact CB-CD1 3.63Å; F182-L202 HydrophobicContact CB-CD2 4.19Å; F182-L202 HydrophobicContact CD2-CD2 4.33Å; F182-L202 HydrophobicContact CG-CD1 4.37Å; F182-R206 PolarHBondContact O-NH2 3.33Å; F182-V208 HydrophobicContact CD1-CB 4.48Å; F182-V208 HydrophobicContact CD1-CG1 4.14Å; F182-V208 HydrophobicContact CD1-CG2 4.1Å; F182-V208 HydrophobicContact CE1-CB 4.43Å; F182-V208 HydrophobicContact CE1-CG1 3.77Å; F182-V208 HydrophobicContact CG-CG2 4.29Å; F182-V208 HydrophobicContact CZ-CG1 4.21Å; F182-T217 HydrophobicContact CD1-CG2 4.44Å; F182-T217 HydrophobicContact CE1-CG2 3.68Å | ||
| 183 | D | 87.7 | Confident | 91.6 | Very high | 161 Ų | 161 | 60.4 Ų | 60.4 | 86% | 0.861 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 57.8 | 21.9 | -177.4 | -54.3 | -39.3 | 0 | 0 | 0 | 115.2 | ||
| 184 | S | 93.1 | Very high | 91.2 | Very high | 19 Ų | 19 | 57.4 Ų | 57.4 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -151.5 | 155.2 | 177.4 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | G163 F182 V186 D204 | G163-S184 WeakPolarHBondContact CA-O 3.17Å; F182-S184 PolarHBondContact O-N 2.79Å; F182-S184 VanDerWaalsContact O-N 3.17Å; S184-V186 PolarHBondContact O-N 2.82Å; S184-D204 WeakPolarHBondContact CB-OD2 3.2Å; S184-D204 PolarHBondContact OG-N 2.92Å |
| 185 | A | 94.3 | Very high | 90.8 | Very high | 15 Ų | 15 | 56 Ų | 56 | 12% | 0.124 | 29% | 0.288 | C | S | . | . | trans | -64.4 | 132 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y161 T187 L202 A203 | Y161-A185 HydrophobicContact CD2-CB 3.81Å; Y161-A185 HydrophobicContact CE2-CB 4.02Å; Y161-A185 HydrophobicContact CG-CB 4.33Å; Y161-A185 WeakPolarHBondContact O-CA 3.43Å; Y161-A185 WeakPolarHBondContact O-CB 3.45Å; A185-T187 PolarHBondContact O-N 2.78Å; A185-L202 CarbonylContact O-C 3.57Å; A185-L202 WeakPolarHBondContact O-CA 3.15Å; A185-A203 HydrophobicContact CB-CB 3.99Å; A185-A203 PolarHBondContact O-N 2.79Å | ||
| 186 | V | 95.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 122.3 | 176.1 | -179 | 0 | 0 | 0 | 0 | 108.5 | T144 S145 S160 L165 S184 L189 I200 L202 | T144-V186 WeakPolarHBondContact CB-O 3.33Å; T144-V186 PolarHBondContact OG1-O 2.84Å; S145-V186 WeakPolarHBondContact OG-CG1 3.06Å; S160-V186 PolarHBondContact O-N 3.06Å; S160-V186 VanDerWaalsContact O-N 3.08Å; L165-V186 HydrophobicContact CD2-CB 4.39Å; L165-V186 HydrophobicContact CD2-CG1 4.1Å; L165-V186 HydrophobicContact CD2-CG2 3.77Å; S184-V186 PolarHBondContact O-N 2.82Å; V186-L189 HydrophobicContact CG1-CD2 3.93Å; V186-L189 HydrophobicContact CG1-CG 4.11Å; V186-I200 HydrophobicContact CG1-CG2 3.88Å; V186-I200 HydrophobicContact CG2-CG2 4.14Å; V186-L202 HydrophobicContact CG2-CD2 4.04Å |
| 187 | T | 94.1 | Very high | 90.5 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -37.3 | -175.8 | 50 | 0 | 0 | 0 | 0 | 112.4 | A185 G201 A203 A227 I228 | A185-T187 PolarHBondContact O-N 2.78Å; T187-G201 PolarHBondContact N-O 3.01Å; T187-G201 VanDerWaalsContact OG1-C 3.29Å; T187-G201 PolarHBondContact OG1-O 3.22Å; T187-A203 HydrophobicContact CG2-CB 3.87Å; T187-A227 HydrophobicContact CG2-CB 4.45Å; T187-I228 WeakPolarHBondContact CB-O 3.14Å; T187-I228 PolarHBondContact OG1-O 3.39Å |
| 188 | C | 93.9 | Very high | 90.5 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 154.4 | 175.3 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | G201 | C188-G201 PolarHBondContact O-N 3.4Å |
| 189 | L | 94.9 | Very high | 90.5 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134 | 176.7 | -67.3 | 171.7 | 0 | 0 | 0 | 108.6 | S145 I147 L157 L165 V186 I200 | S145-L189 WeakPolarHBondContact OG-CD1 3.23Å; S145-L189 WeakPolarHBondContact OG-CG 3.25Å; I147-L189 HydrophobicContact CB-CB 4.22Å; I147-L189 HydrophobicContact CG2-CB 3.92Å; I147-L189 HydrophobicContact CG2-CD1 4.13Å; L157-L189 HydrophobicContact CD2-CD1 4.29Å; L157-L189 HydrophobicContact CG-CD1 4.31Å; L165-L189 HydrophobicContact CD2-CD1 4.48Å; L165-L189 HydrophobicContact CD2-CD2 4.12Å; V186-L189 HydrophobicContact CG1-CD2 3.93Å; V186-L189 HydrophobicContact CG1-CG 4.11Å; L189-I200 HydrophobicContact CD2-CB 4.13Å; L189-I200 HydrophobicContact CD2-CG1 3.65Å; L189-I200 HydrophobicContact CD2-CG2 4Å |
| 190 | Q | 93.3 | Very high | 90.6 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 35% | 0.35 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 129.4 | 177.5 | -177.4 | 62.4 | 35.2 | 0 | 0 | 110.5 | A192 C198 A199 I231 F233 | Q190-A192 PolarHBondContact O-N 2.93Å; Q190-C198 PolarHBondContact O-SG 2.79Å; Q190-A199 PolarHBondContact N-O 2.78Å; Q190-A199 PolarHBondContact O-N 3.25Å; Q190-I231 HydrophobicContact CB-CB 3.86Å; Q190-I231 HydrophobicContact CB-CG2 4.03Å; Q190-I231 HydrophobicContact CG-CB 4.39Å; Q190-I231 HydrophobicContact CG-CG2 4.29Å; Q190-I231 WeakPolarHBondContact CG-O 3.4Å; Q190-F233 HydrophobicContact CG-CD2 3.99Å; Q190-F233 HydrophobicContact CG-CE2 4.07Å |
| 191 | Q | 90.8 | Very high | 91.1 | Very high | 16 Ų | 16 | 32.2 Ų | 32.2 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 129.8 | 176.2 | 179.3 | 60.1 | 41.5 | 0 | 0 | 109.6 | I147 I150 A194 V197 | I147-Q191 HydrophobicContact CD1-CB 3.82Å; I150-Q191 HydrophobicContact CB-CG 4.2Å; I150-Q191 HydrophobicContact CD1-CG 3.56Å; I150-Q191 HydrophobicContact CG1-CG 3.78Å; Q191-A194 PolarHBondContact NE2-O 3.4Å; Q191-A194 VanDerWaalsContact NE2-O 3.13Å; Q191-V197 PolarHBondContact NE2-O 2.79Å |
| 192 | A | 89.2 | Confident | 91.6 | Very high | 7 Ų | 7 | 31 Ų | 31 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | trans | -74.6 | 156.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q190 A194 V197 F233 | Q190-A192 PolarHBondContact O-N 2.93Å; A192-A194 PolarHBondContact O-N 2.85Å; A192-A194 VanDerWaalsContact O-O 3.11Å; A192-V197 HydrophobicContact CB-CB 3.92Å; A192-V197 HydrophobicContact CB-CG1 3.76Å; A192-V197 VanDerWaalsContact CB-O 3.25Å; A192-V197 WeakPolarHBondContact CB-O 3.28Å; A192-V197 PolarHBondContact N-O 2.62Å; A192-F233 VanDerWaalsContact CA-CE2 3.49Å; A192-F233 HydrophobicContact CB-CE1 4.11Å; A192-F233 HydrophobicContact CB-CE2 3.89Å; A192-F233 HydrophobicContact CB-CZ 3.62Å | ||
| 193 | P | 83.4 | Confident | 92 | Very high | 37 Ų | 37 | 31.7 Ų | 31.7 | 24% | 0.24 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -60.5 | -23.9 | 174.4 | 24.2 | -34.1 | 0 | 0 | 0 | 112.6 | F233 V262 | P193-F233 HydrophobicContact CG-CB 4.48Å; P193-F233 HydrophobicContact CG-CD1 4.45Å; P193-V262 HydrophobicContact CG-CG1 4.17Å |
| 194 | A | 84.2 | Confident | 92.2 | Very high | 53 Ų | 53 | 27.4 Ų | 27.4 | 44% | 0.438 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -74.5 | 143.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q191 A192 V197 | Q191-A194 PolarHBondContact NE2-O 3.4Å; Q191-A194 VanDerWaalsContact NE2-O 3.13Å; A192-A194 PolarHBondContact O-N 2.85Å; A192-A194 VanDerWaalsContact O-O 3.11Å; A194-V197 HydrophobicContact CB-CB 4.21Å; A194-V197 HydrophobicContact CB-CG2 4.11Å |
| 195 | F | 85.9 | Confident | 92.1 | Very high | 111 Ų | 111 | 26.6 Ų | 26.6 | 49% | 0.487 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 145.4 | 174.6 | -61.2 | -59.4 | 0 | 0 | 0 | 111.6 | I150 N151 V197 L255 | I150-F195 HydrophobicContact CG2-CE1 4.48Å; N151-F195 WeakPolarHBondContact ND2-CD1 3.3Å; N151-F195 WeakPolarHBondContact ND2-CE1 3.42Å; F195-V197 PolarHBondContact O-N 2.79Å; F195-L255 HydrophobicContact CE2-CD2 4.28Å |
| 196 | D | 89.5 | Confident | 92.2 | Very high | 35 Ų | 35 | 29.9 Ų | 29.9 | 19% | 0.187 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 0.9 | 179 | -56.7 | -41.1 | 0 | 0 | 0 | 115.9 | Y152 N211 L212 K213 | Y152-D196 WeakPolarHBondContact CE2-OD1 3.24Å; Y152-D196 VanDerWaalsContact CZ-OD1 3.27Å; Y152-D196 PolarHBondContact OH-OD1 2.84Å; D196-N211 CarbonylContact O-C 3.54Å; D196-N211 WeakPolarHBondContact O-CA 3.47Å; D196-L212 WeakPolarHBondContact O-CB 3.43Å; D196-L212 PolarHBondContact O-N 3.27Å; D196-K213 HydrophobicContact CB-CB 4.01Å; D196-K213 WeakPolarHBondContact OD2-CD 3.36Å |
| 197 | V | 91.7 | Very high | 92.1 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 9% | 0.085 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127.4 | -177.9 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | Q191 A192 A194 F195 H210 L218 | Q191-V197 PolarHBondContact NE2-O 2.79Å; A192-V197 HydrophobicContact CB-CB 3.92Å; A192-V197 HydrophobicContact CB-CG1 3.76Å; A192-V197 VanDerWaalsContact CB-O 3.25Å; A192-V197 WeakPolarHBondContact CB-O 3.28Å; A192-V197 PolarHBondContact N-O 2.62Å; A194-V197 HydrophobicContact CB-CB 4.21Å; A194-V197 HydrophobicContact CB-CG2 4.11Å; F195-V197 PolarHBondContact O-N 2.79Å; V197-H210 WeakPolarHBondContact CA-O 3.49Å; V197-L218 HydrophobicContact CB-CD1 4.47Å; V197-L218 HydrophobicContact CG1-CD1 3.89Å; V197-L218 HydrophobicContact CG2-CD1 3.66Å |
| 198 | C | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.8 | 175.8 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | L157 Q190 T209 H210 L212 | L157-C198 HydrophobicContact CD2-CB 4.49Å; Q190-C198 PolarHBondContact O-SG 2.79Å; C198-T209 WeakPolarHBondContact O-CA 3.43Å; C198-H210 PolarHBondContact N-O 3.3Å; C198-H210 PolarHBondContact O-N 2.9Å; C198-L212 HydrophobicContact CB-CD1 4.02Å; C198-L212 HydrophobicContact CB-CD2 4.17Å; C198-L212 HydrophobicContact CB-CG 4.11Å |
| 199 | A | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q190 V207 V208 T209 I231 F233 | Q190-A199 PolarHBondContact N-O 2.78Å; Q190-A199 PolarHBondContact O-N 3.25Å; A199-V207 HydrophobicContact CB-CG1 4.34Å; A199-V208 CarbonylContact C-O 3.58Å; A199-V208 WeakPolarHBondContact CA-O 3.26Å; A199-T209 HydrophobicContact CB-CG2 4.24Å; A199-I231 HydrophobicContact CB-CD1 4.07Å; A199-I231 HydrophobicContact CB-CG2 3.99Å; A199-F233 HydrophobicContact CB-CE2 3.85Å; A199-F233 HydrophobicContact CB-CZ 3.73Å |
| 200 | I | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.6 | -173.1 | -57.7 | 152.4 | 0 | 0 | 0 | 107 | L165 F182 V186 L189 L202 V207 V208 H210 | L165-I200 HydrophobicContact CD1-CD1 3.63Å; L165-I200 HydrophobicContact CD1-CG1 4.08Å; F182-I200 HydrophobicContact CD2-CG2 4.32Å; F182-I200 HydrophobicContact CE2-CD1 3.55Å; F182-I200 HydrophobicContact CE2-CG2 4.25Å; F182-I200 HydrophobicContact CZ-CD1 3.69Å; V186-I200 HydrophobicContact CG1-CG2 3.88Å; V186-I200 HydrophobicContact CG2-CG2 4.14Å; L189-I200 HydrophobicContact CD2-CB 4.13Å; L189-I200 HydrophobicContact CD2-CG1 3.65Å; L189-I200 HydrophobicContact CD2-CG2 4Å; I200-L202 HydrophobicContact CG2-CD2 4.09Å; I200-V207 CarbonylContact O-C 3.59Å; I200-V207 WeakPolarHBondContact O-CA 3.45Å; I200-V208 HydrophobicContact CB-CB 4.45Å; I200-V208 PolarHBondContact N-O 3.31Å; I200-V208 PolarHBondContact O-N 2.77Å; I200-H210 HydrophobicContact CD1-CB 3.62Å |
| 201 | G | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 133.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T187 C188 | T187-G201 PolarHBondContact N-O 3.01Å; T187-G201 VanDerWaalsContact OG1-C 3.29Å; T187-G201 PolarHBondContact OG1-O 3.22Å; C188-G201 PolarHBondContact O-N 3.4Å |
| 202 | L | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 156.7 | 179.8 | -59.2 | 173.9 | 0 | 0 | 0 | 111.4 | F182 A185 V186 I200 D204 G205 R206 V208 I228 | F182-L202 HydrophobicContact CB-CD1 3.63Å; F182-L202 HydrophobicContact CB-CD2 4.19Å; F182-L202 HydrophobicContact CD2-CD2 4.33Å; F182-L202 HydrophobicContact CG-CD1 4.37Å; A185-L202 CarbonylContact O-C 3.57Å; A185-L202 WeakPolarHBondContact O-CA 3.15Å; V186-L202 HydrophobicContact CG2-CD2 4.04Å; I200-L202 HydrophobicContact CG2-CD2 4.09Å; L202-D204 WeakPolarHBondContact CB-OD1 3.4Å; L202-D204 PolarHBondContact O-N 3.02Å; L202-G205 PolarHBondContact O-N 2.9Å; L202-R206 VanDerWaalsContact CB-O 3.31Å; L202-R206 WeakPolarHBondContact CB-O 2.96Å; L202-R206 HydrophobicContact CD1-CB 4.04Å; L202-R206 PolarHBondContact N-O 2.74Å; L202-V208 HydrophobicContact CD1-CG2 4.02Å; L202-I228 PolarHBondContact O-N 2.72Å |
| 203 | A | 94.1 | Very high | 92.3 | Very high | 40 Ų | 40 | 29.6 Ų | 29.6 | 33% | 0.331 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -18.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A185 T187 G205 A227 | A185-A203 HydrophobicContact CB-CB 3.99Å; A185-A203 PolarHBondContact O-N 2.79Å; T187-A203 HydrophobicContact CG2-CB 3.87Å; A203-G205 VanDerWaalsContact C-N 3.32Å; A203-A227 HydrophobicContact CB-CB 4.47Å; A203-A227 WeakPolarHBondContact O-CA 2.8Å |
| 204 | D | 92.7 | Very high | 92.7 | Very high | 72 Ų | 72 | 35.1 Ų | 35.1 | 39% | 0.385 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 1.5 | 178.7 | 62.6 | 6.4 | 0 | 0 | 0 | 113.9 | S184 L202 R206 | S184-D204 WeakPolarHBondContact CB-OD2 3.2Å; S184-D204 PolarHBondContact OG-N 2.92Å; L202-D204 WeakPolarHBondContact CB-OD1 3.4Å; L202-D204 PolarHBondContact O-N 3.02Å; D204-R206 WeakPolarHBondContact OD1-CB 2.89Å; D204-R206 PolarHBondContact OD1-N 2.99Å; D204-R206 IonicContact OD1-NE 3.27Å; D204-R206 IonicContact OD2-CZ 3.19Å; D204-R206 IonicContact OD2-NE 3.93Å; D204-R206 PolarHBondContact OD2-NE 3.18Å; D204-R206 IonicContact OD2-NH2 2.7Å; D204-R206 PolarHBondContact OD2-NH2 3.2Å |
| 205 | G | 92.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 87.1 | 7.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | L202 A203 Q223 G226 I228 | L202-G205 PolarHBondContact O-N 2.9Å; A203-G205 VanDerWaalsContact C-N 3.32Å; G205-Q223 WeakPolarHBondContact O-CG 3.15Å; G205-Q223 PolarHBondContact O-N 2.72Å; G205-Q223 VanDerWaalsContact O-N 3.16Å; G205-G226 WeakPolarHBondContact CA-O 3.31Å; G205-I228 WeakPolarHBondContact O-CD1 3.45Å |
| 206 | R | 94.6 | Very high | 93.4 | Very high | 85 Ų | 85 | 33.2 Ų | 33.2 | 32% | 0.321 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 135.2 | 172.1 | -66.3 | -176 | -67.3 | 164.2 | 2.4 | 112.8 | F182 L202 D204 F221 A222 I228 | F182-R206 PolarHBondContact O-NH2 3.33Å; L202-R206 VanDerWaalsContact CB-O 3.31Å; L202-R206 WeakPolarHBondContact CB-O 2.96Å; L202-R206 HydrophobicContact CD1-CB 4.04Å; L202-R206 PolarHBondContact N-O 2.74Å; D204-R206 WeakPolarHBondContact OD1-CB 2.89Å; D204-R206 PolarHBondContact OD1-N 2.99Å; D204-R206 IonicContact OD1-NE 3.27Å; D204-R206 IonicContact OD2-CZ 3.19Å; D204-R206 IonicContact OD2-NE 3.93Å; D204-R206 PolarHBondContact OD2-NE 3.18Å; D204-R206 IonicContact OD2-NH2 2.7Å; D204-R206 PolarHBondContact OD2-NH2 3.2Å; R206-F221 CarbonylContact C-O 3.57Å; R206-F221 WeakPolarHBondContact CA-O 3.08Å; R206-A222 HydrophobicContact CG-CB 4.41Å; R206-I228 WeakPolarHBondContact O-CD1 3.46Å |
| 207 | V | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.5 | 168.8 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | A199 I200 V220 F221 I228 I231 L264 T266 | A199-V207 HydrophobicContact CB-CG1 4.34Å; I200-V207 CarbonylContact O-C 3.59Å; I200-V207 WeakPolarHBondContact O-CA 3.45Å; V207-V220 CarbonylContact O-C 3.51Å; V207-V220 WeakPolarHBondContact O-CA 3.47Å; V207-F221 HydrophobicContact CB-CB 4.2Å; V207-F221 HydrophobicContact CB-CD2 4.28Å; V207-F221 HydrophobicContact CG1-CD2 4.44Å; V207-F221 PolarHBondContact N-O 3.1Å; V207-F221 PolarHBondContact O-N 3.37Å; V207-I228 HydrophobicContact CB-CD1 4.34Å; V207-I228 HydrophobicContact CG2-CD1 3.32Å; V207-I228 HydrophobicContact CG2-CG1 3.9Å; V207-I228 HydrophobicContact CG2-CG2 4.21Å; V207-I231 HydrophobicContact CG1-CD1 3.8Å; V207-I231 HydrophobicContact CG2-CD1 4.37Å; V207-L264 HydrophobicContact CG1-CD2 4.31Å; V207-T266 HydrophobicContact CG2-CG2 3.69Å |
| 208 | V | 94.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.4 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | F182 A199 I200 L202 H210 T217 V220 | F182-V208 HydrophobicContact CD1-CB 4.48Å; F182-V208 HydrophobicContact CD1-CG1 4.14Å; F182-V208 HydrophobicContact CD1-CG2 4.1Å; F182-V208 HydrophobicContact CE1-CB 4.43Å; F182-V208 HydrophobicContact CE1-CG1 3.77Å; F182-V208 HydrophobicContact CG-CG2 4.29Å; F182-V208 HydrophobicContact CZ-CG1 4.21Å; A199-V208 CarbonylContact C-O 3.58Å; A199-V208 WeakPolarHBondContact CA-O 3.26Å; I200-V208 HydrophobicContact CB-CB 4.45Å; I200-V208 PolarHBondContact N-O 3.31Å; I200-V208 PolarHBondContact O-N 2.77Å; L202-V208 HydrophobicContact CD1-CG2 4.02Å; V208-H210 HydrophobicContact CG1-CB 4.47Å; V208-T217 HydrophobicContact CG1-CG2 3.73Å; V208-V220 HydrophobicContact CG1-CG2 4.44Å; V208-V220 HydrophobicContact CG2-CG1 4.44Å; V208-V220 HydrophobicContact CG2-CG2 4.31Å |
| 209 | T | 93.5 | Very high | 93.3 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118 | 166.5 | 55.6 | 0 | 0 | 0 | 0 | 108.5 | C198 A199 L218 M219 F221 | C198-T209 WeakPolarHBondContact O-CA 3.43Å; A199-T209 HydrophobicContact CB-CG2 4.24Å; T209-L218 PolarHBondContact O-N 2.75Å; T209-M219 PolarHBondContact N-O 3.1Å; T209-M219 PolarHBondContact O-N 2.7Å; T209-M219 WeakPolarHBondContact OG1-CB 3.41Å; T209-M219 PolarHBondContact OG1-N 2.87Å; T209-M219 PolarHBondContact OG1-O 3.18Å; T209-F221 HydrophobicContact CG2-CE2 3.96Å |
| 210 | H | 93.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.019 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.2 | -170.5 | -162.5 | 63.6 | 0 | 0 | 0 | 111.1 | F179 V197 C198 I200 V208 D215 V216 T217 | F179-H210 AromaticContact CD1-NE2 3.85Å; V197-H210 WeakPolarHBondContact CA-O 3.49Å; C198-H210 PolarHBondContact N-O 3.3Å; C198-H210 PolarHBondContact O-N 2.9Å; I200-H210 HydrophobicContact CD1-CB 3.62Å; V208-H210 HydrophobicContact CG1-CB 4.47Å; H210-D215 IonicContact CD2-OD1 2.86Å; H210-D215 IonicContact CE1-OD1 3.78Å; H210-D215 PolarHBondContact CE1-OD1 3.45Å; H210-D215 VanDerWaalsContact CE1-OD1 3.27Å; H210-D215 IonicContact NE2-OD1 2.86Å; H210-D215 PolarHBondContact NE2-OD1 2.99Å; H210-V216 PolarHBondContact CE1-N 3.31Å; H210-V216 PolarHBondContact ND1-O 3.25Å; H210-T217 PolarHBondContact CE1-N 3.25Å; H210-T217 VanDerWaalsContact ND1-CA 3.35Å; H210-T217 WeakPolarHBondContact ND1-CA 3.14Å; H210-T217 VanDerWaalsContact ND1-CG2 3.29Å; H210-T217 WeakPolarHBondContact ND1-CG2 3.39Å; H210-T217 PolarHBondContact ND1-N 2.85Å; H210-T217 VanDerWaalsContact ND1-N 3.14Å |
| 211 | N | 93.8 | Very high | 93 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 110.5 | 171.1 | -170.4 | -50.8 | 0 | 0 | 0 | 109.4 | D196 K213 Y214 D215 V216 L218 | D196-N211 CarbonylContact O-C 3.54Å; D196-N211 WeakPolarHBondContact O-CA 3.47Å; N211-K213 VanDerWaalsContact C-N 3.28Å; N211-K213 PolarHBondContact O-N 3.07Å; N211-K213 WeakPolarHBondContact OD1-CB 2.96Å; N211-K213 PolarHBondContact OD1-N 3.14Å; N211-Y214 PolarHBondContact OD1-N 3.29Å; N211-D215 WeakPolarHBondContact O-CA 3.33Å; N211-D215 PolarHBondContact O-N 3.08Å; N211-V216 PolarHBondContact N-O 3.02Å; N211-V216 PolarHBondContact O-N 3.1Å; N211-L218 HydrophobicContact CB-CD1 4.47Å; N211-L218 HydrophobicContact CB-CD2 4.48Å; N211-L218 HydrophobicContact CB-CG 4.41Å |
| 212 | L | 92.3 | Very high | 92.8 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27.6 | -176.1 | -61.5 | 177.4 | 0 | 0 | 0 | 113.3 | P149 L157 F179 D196 C198 | P149-L212 HydrophobicContact CB-CD1 4.06Å; P149-L212 HydrophobicContact CG-CD1 3.93Å; L157-L212 HydrophobicContact CD1-CD2 4.26Å; L157-L212 HydrophobicContact CD2-CD1 4.06Å; L157-L212 HydrophobicContact CD2-CD2 3.74Å; F179-L212 HydrophobicContact CE1-CD2 4.23Å; F179-L212 WeakPolarHBondContact CE1-O 3.45Å; F179-L212 HydrophobicContact CE2-CD2 4.29Å; F179-L212 HydrophobicContact CZ-CB 4.17Å; F179-L212 HydrophobicContact CZ-CD2 3.86Å; F179-L212 WeakPolarHBondContact CZ-O 3.4Å; D196-L212 WeakPolarHBondContact O-CB 3.43Å; D196-L212 PolarHBondContact O-N 3.27Å; C198-L212 HydrophobicContact CB-CD1 4.02Å; C198-L212 HydrophobicContact CB-CD2 4.17Å; C198-L212 HydrophobicContact CB-CG 4.11Å |
| 213 | K | 91.9 | Very high | 92.4 | Very high | 128 Ų | 128 | 49 Ų | 49 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -39.8 | -177.2 | -178 | 176.6 | 179.2 | -178.4 | 0 | 112.3 | D196 N211 | D196-K213 HydrophobicContact CB-CB 4.01Å; D196-K213 WeakPolarHBondContact OD2-CD 3.36Å; N211-K213 VanDerWaalsContact C-N 3.28Å; N211-K213 PolarHBondContact O-N 3.07Å; N211-K213 WeakPolarHBondContact OD1-CB 2.96Å; N211-K213 PolarHBondContact OD1-N 3.14Å |
| 214 | Y | 92 | Very high | 91.9 | Very high | 153 Ų | 153 | 53.7 Ų | 53.7 | 60% | 0.6 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -6.3 | -177.2 | -59.9 | -63.2 | 0 | 0 | 0 | 113.7 | N211 V216 | N211-Y214 PolarHBondContact OD1-N 3.29Å; Y214-V216 VanDerWaalsContact C-N 3.31Å; Y214-V216 PolarHBondContact O-N 2.69Å |
| 215 | D | 92.2 | Very high | 91.3 | Very high | 51 Ų | 51 | 51.1 Ų | 51.1 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 45.8 | -172.7 | -166.9 | 26.1 | 0 | 0 | 0 | 112.4 | Y177 F179 H210 N211 | Y177-D215 HydrophobicContact CE1-CB 4.1Å; Y177-D215 PolarHBondContact OH-OD2 2.99Å; Y177-D215 VanDerWaalsContact OH-OD2 3.11Å; F179-D215 HydrophobicContact CD1-CB 4.48Å; F179-D215 VanDerWaalsContact CD1-OD1 3.3Å; F179-D215 WeakPolarHBondContact CD1-OD1 3.25Å; F179-D215 HydrophobicContact CE1-CB 4.47Å; H210-D215 IonicContact CD2-OD1 2.86Å; H210-D215 IonicContact CE1-OD1 3.78Å; H210-D215 PolarHBondContact CE1-OD1 3.45Å; H210-D215 VanDerWaalsContact CE1-OD1 3.27Å; H210-D215 IonicContact NE2-OD1 2.86Å; H210-D215 PolarHBondContact NE2-OD1 2.99Å; N211-D215 WeakPolarHBondContact O-CA 3.33Å; N211-D215 PolarHBondContact O-N 3.08Å |
| 216 | V | 92.9 | Very high | 91.2 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.8 | -178.4 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | H210 N211 Y214 L218 | H210-V216 PolarHBondContact CE1-N 3.31Å; H210-V216 PolarHBondContact ND1-O 3.25Å; N211-V216 PolarHBondContact N-O 3.02Å; N211-V216 PolarHBondContact O-N 3.1Å; Y214-V216 VanDerWaalsContact C-N 3.31Å; Y214-V216 PolarHBondContact O-N 2.69Å; V216-L218 PolarHBondContact O-N 3.48Å |
| 217 | T | 92.1 | Very high | 91.1 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 118.8 | 170.9 | 54.3 | 0 | 0 | 0 | 0 | 109.4 | F182 V208 H210 | F182-T217 HydrophobicContact CD1-CG2 4.44Å; F182-T217 HydrophobicContact CE1-CG2 3.68Å; V208-T217 HydrophobicContact CG1-CG2 3.73Å; H210-T217 PolarHBondContact CE1-N 3.25Å; H210-T217 VanDerWaalsContact ND1-CA 3.35Å; H210-T217 WeakPolarHBondContact ND1-CA 3.14Å; H210-T217 VanDerWaalsContact ND1-CG2 3.29Å; H210-T217 WeakPolarHBondContact ND1-CG2 3.39Å; H210-T217 PolarHBondContact ND1-N 2.85Å; H210-T217 VanDerWaalsContact ND1-N 3.14Å |
| 218 | L | 90.4 | Very high | 91.2 | Very high | 88 Ų | 88 | 48.9 Ų | 48.9 | 46% | 0.461 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -51.2 | -179.2 | -60.8 | 178.3 | 0 | 0 | 0 | 111.4 | V197 T209 N211 V216 | V197-L218 HydrophobicContact CB-CD1 4.47Å; V197-L218 HydrophobicContact CG1-CD1 3.89Å; V197-L218 HydrophobicContact CG2-CD1 3.66Å; T209-L218 PolarHBondContact O-N 2.75Å; N211-L218 HydrophobicContact CB-CD1 4.47Å; N211-L218 HydrophobicContact CB-CD2 4.48Å; N211-L218 HydrophobicContact CB-CG 4.41Å; V216-L218 PolarHBondContact O-N 3.48Å |
| 219 | M | 90.7 | Very high | 91.1 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 20% | 0.202 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.1 | 178.8 | -54.9 | -178.2 | -132.5 | 0 | 0 | 110.7 | T209 F221 L278 | T209-M219 PolarHBondContact N-O 3.1Å; T209-M219 PolarHBondContact O-N 2.7Å; T209-M219 WeakPolarHBondContact OG1-CB 3.41Å; T209-M219 PolarHBondContact OG1-N 2.87Å; T209-M219 PolarHBondContact OG1-O 3.18Å; M219-F221 HydrophobicContact CB-CE2 3.71Å; M219-F221 HydrophobicContact CB-CZ 3.84Å; M219-F221 HydrophobicContact CG-CZ 4.47Å; M219-F221 HydrophobicContact SD-CE2 4.49Å; M219-F221 HydrophobicContact SD-CZ 3.8Å; M219-L278 HydrophobicContact CE-CD2 4.36Å; M219-L278 HydrophobicContact SD-CD2 4.12Å |
| 220 | V | 92.6 | Very high | 91.1 | Very high | 85 Ų | 85 | 50.7 Ų | 50.7 | 52% | 0.515 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.3 | 172.4 | -177.7 | 0 | 0 | 0 | 0 | 108 | V207 V208 | V207-V220 CarbonylContact O-C 3.51Å; V207-V220 WeakPolarHBondContact O-CA 3.47Å; V208-V220 HydrophobicContact CG1-CG2 4.44Å; V208-V220 HydrophobicContact CG2-CG1 4.44Å; V208-V220 HydrophobicContact CG2-CG2 4.31Å |
| 221 | F | 92.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 143 | 174.2 | -52.9 | -91.6 | 0 | 0 | 0 | 108.2 | R206 V207 T209 M219 L264 W276 L278 S284 | R206-F221 CarbonylContact C-O 3.57Å; R206-F221 WeakPolarHBondContact CA-O 3.08Å; V207-F221 HydrophobicContact CB-CB 4.2Å; V207-F221 HydrophobicContact CB-CD2 4.28Å; V207-F221 HydrophobicContact CG1-CD2 4.44Å; V207-F221 PolarHBondContact N-O 3.1Å; V207-F221 PolarHBondContact O-N 3.37Å; T209-F221 HydrophobicContact CG2-CE2 3.96Å; M219-F221 HydrophobicContact CB-CE2 3.71Å; M219-F221 HydrophobicContact CB-CZ 3.84Å; M219-F221 HydrophobicContact CG-CZ 4.47Å; M219-F221 HydrophobicContact SD-CE2 4.49Å; M219-F221 HydrophobicContact SD-CZ 3.8Å; F221-L264 HydrophobicContact CD1-CD2 4.3Å; F221-L264 HydrophobicContact CD2-CD2 3.53Å; F221-L264 HydrophobicContact CE1-CD2 4.23Å; F221-L264 HydrophobicContact CE2-CD2 3.49Å; F221-L264 VanDerWaalsContact CE2-CD2 3.49Å; F221-L264 HydrophobicContact CG-CD2 3.98Å; F221-L264 HydrophobicContact CZ-CD2 3.87Å; F221-W276 HydrophobicContact CD1-CB 4.36Å; F221-W276 AromaticContact CD1-CD2 3.76Å; F221-W276 HydrophobicContact CD1-CD2 3.76Å; F221-W276 AromaticContact CD1-CE3 3.8Å; F221-W276 HydrophobicContact CD1-CE3 3.8Å; F221-W276 HydrophobicContact CD1-CG 4.02Å; F221-W276 HydrophobicContact CD1-CZ3 4.35Å; F221-W276 HydrophobicContact CE1-CB 4.2Å; F221-W276 HydrophobicContact CE1-CD2 4.4Å; F221-W276 HydrophobicContact CE1-CE3 4.37Å; F221-W276 HydrophobicContact CE1-CG 4.35Å; F221-L278 HydrophobicContact CE1-CD2 3.99Å; F221-L278 HydrophobicContact CE2-CD2 4.42Å; F221-L278 HydrophobicContact CZ-CD2 3.45Å; F221-L278 VanDerWaalsContact CZ-CD2 3.45Å; F221-S284 WeakPolarHBondContact CE1-OG 3.49Å |
| 222 | A | 90.7 | Very high | 91.1 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | R206 W276 | R206-A222 HydrophobicContact CG-CB 4.41Å; A222-W276 WeakPolarHBondContact O-CH2 3.46Å |
| 223 | Q | 87.6 | Confident | 91 | Very high | 17 Ų | 17 | 50.9 Ų | 50.9 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | trans | -134 | 146.6 | 176.5 | 59.3 | 177.4 | 11.9 | 0 | 0 | 110.9 | G205 I228 T266 C268 N274 W276 | G205-Q223 WeakPolarHBondContact O-CG 3.15Å; G205-Q223 PolarHBondContact O-N 2.72Å; G205-Q223 VanDerWaalsContact O-N 3.16Å; Q223-I228 VanDerWaalsContact NE2-CG1 3.32Å; Q223-T266 PolarHBondContact OE1-OG1 3.16Å; Q223-C268 PolarHBondContact NE2-SG 3.43Å; Q223-N274 WeakPolarHBondContact CB-ND2 3.3Å; Q223-N274 PolarHBondContact OE1-ND2 3.42Å; Q223-W276 HydrophobicContact CB-CZ2 4.3Å | ||
| 224 | D | 83.7 | Confident | 90.7 | Very high | 139 Ų | 139 | 46.6 Ų | 46.6 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -77.1 | 150.7 | 168.8 | -61.7 | -31.7 | 0 | 0 | 0 | 109.9 | ||
| 225 | G | 80.2 | Confident | 89.8 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 121.4 | 7.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | C268 T270 | G225-C268 VanDerWaalsContact O-CB 3.31Å; G225-C268 WeakPolarHBondContact O-CB 3.42Å; G225-T270 VanDerWaalsContact CA-OG1 3.29Å; G225-T270 WeakPolarHBondContact CA-OG1 3.44Å; G225-T270 WeakPolarHBondContact O-CB 3.39Å; G225-T270 WeakPolarHBondContact O-CG2 3.34Å; G225-T270 PolarHBondContact O-N 2.77Å; G225-T270 PolarHBondContact O-OG1 3.01Å |
| 226 | G | 89 | Confident | 88.1 | Confident | 26 Ų | 26 | 39.2 Ų | 39.2 | 27% | 0.268 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 91.2 | -156.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G205 I228 E269 | G205-G226 WeakPolarHBondContact CA-O 3.31Å; G226-I228 PolarHBondContact O-N 3.13Å; G226-E269 WeakPolarHBondContact CA-OE1 3.44Å |
| 227 | A | 93.2 | Very high | 86.1 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -56.1 | 136.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T187 A203 T229 C268 E269 | T187-A227 HydrophobicContact CG2-CB 4.45Å; A203-A227 HydrophobicContact CB-CB 4.47Å; A203-A227 WeakPolarHBondContact O-CA 2.8Å; A227-T229 PolarHBondContact O-N 3.41Å; A227-C268 WeakPolarHBondContact O-CA 3.44Å; A227-E269 HydrophobicContact CB-CG 4.48Å; A227-E269 PolarHBondContact N-OE1 3.3Å; A227-E269 VanDerWaalsContact N-OE1 3.08Å; A227-E269 PolarHBondContact O-N 2.81Å |
| 228 | I | 95.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.6 | 175.1 | -66.5 | 138.6 | 0 | 0 | 0 | 109 | T187 L202 G205 R206 V207 Q223 G226 I231 | T187-I228 WeakPolarHBondContact CB-O 3.14Å; T187-I228 PolarHBondContact OG1-O 3.39Å; L202-I228 PolarHBondContact O-N 2.72Å; G205-I228 WeakPolarHBondContact O-CD1 3.45Å; R206-I228 WeakPolarHBondContact O-CD1 3.46Å; V207-I228 HydrophobicContact CB-CD1 4.34Å; V207-I228 HydrophobicContact CG2-CD1 3.32Å; V207-I228 HydrophobicContact CG2-CG1 3.9Å; V207-I228 HydrophobicContact CG2-CG2 4.21Å; Q223-I228 VanDerWaalsContact NE2-CG1 3.32Å; G226-I228 PolarHBondContact O-N 3.13Å; I228-I231 HydrophobicContact CG2-CD1 4.25Å; I228-I231 HydrophobicContact CG2-CG1 3.88Å |
| 229 | T | 93.7 | Very high | 81.3 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -26.3 | -173.9 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | A227 G267 E269 S297 V298 | A227-T229 PolarHBondContact O-N 3.41Å; T229-G267 PolarHBondContact N-O 3.32Å; T229-G267 PolarHBondContact OG1-O 2.76Å; T229-E269 HydrophobicContact CG2-CB 4.15Å; T229-S297 WeakPolarHBondContact CG2-OG 3.33Å; T229-V298 VanDerWaalsContact CB-O 3.23Å; T229-V298 WeakPolarHBondContact CB-O 2.8Å; T229-V298 PolarHBondContact OG1-O 2.72Å |
| 230 | S | 94 | Very high | 78.7 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 150.1 | 177.1 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | G267 V298 I299 I301 | S230-G267 PolarHBondContact O-N 3.44Å; S230-V298 PolarHBondContact OG-O 3.39Å; S230-V298 VanDerWaalsContact OG-O 3.11Å; S230-I299 WeakPolarHBondContact CB-O 3.23Å; S230-I301 WeakPolarHBondContact OG-CD1 3.47Å; S230-I301 WeakPolarHBondContact OG-CG1 3.29Å |
| 231 | I | 94.7 | Very high | 76 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.6 | 177.2 | -60.6 | 168.7 | 0 | 0 | 0 | 108.1 | Q190 A199 V207 I228 F233 L264 I265 T266 | Q190-I231 HydrophobicContact CB-CB 3.86Å; Q190-I231 HydrophobicContact CB-CG2 4.03Å; Q190-I231 HydrophobicContact CG-CB 4.39Å; Q190-I231 HydrophobicContact CG-CG2 4.29Å; Q190-I231 WeakPolarHBondContact CG-O 3.4Å; A199-I231 HydrophobicContact CB-CD1 4.07Å; A199-I231 HydrophobicContact CB-CG2 3.99Å; V207-I231 HydrophobicContact CG1-CD1 3.8Å; V207-I231 HydrophobicContact CG2-CD1 4.37Å; I228-I231 HydrophobicContact CG2-CD1 4.25Å; I228-I231 HydrophobicContact CG2-CG1 3.88Å; I231-F233 HydrophobicContact CG2-CE2 4.3Å; I231-L264 HydrophobicContact CG2-CD1 3.48Å; I231-L264 VanDerWaalsContact CG2-CD1 3.48Å; I231-I265 CarbonylContact C-O 3.39Å; I231-I265 WeakPolarHBondContact CA-O 3.44Å; I231-T266 HydrophobicContact CG1-CG2 4.5Å |
| 232 | G | 92.2 | Very high | 73.4 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I265 | G232-I265 PolarHBondContact N-O 2.87Å; G232-I265 PolarHBondContact O-N 3.35Å |
| 233 | F | 89.7 | Confident | 71.1 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 13% | 0.132 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141.8 | 173 | -72.9 | -84.7 | 0 | 0 | 0 | 110.2 | Q190 A192 P193 A199 I231 V262 Y263 L264 L278 C303 | Q190-F233 HydrophobicContact CG-CD2 3.99Å; Q190-F233 HydrophobicContact CG-CE2 4.07Å; A192-F233 VanDerWaalsContact CA-CE2 3.49Å; A192-F233 HydrophobicContact CB-CE1 4.11Å; A192-F233 HydrophobicContact CB-CE2 3.89Å; A192-F233 HydrophobicContact CB-CZ 3.62Å; P193-F233 HydrophobicContact CG-CB 4.48Å; P193-F233 HydrophobicContact CG-CD1 4.45Å; A199-F233 HydrophobicContact CB-CE2 3.85Å; A199-F233 HydrophobicContact CB-CZ 3.73Å; I231-F233 HydrophobicContact CG2-CE2 4.3Å; F233-V262 HydrophobicContact CD1-CG1 4.32Å; F233-Y263 WeakPolarHBondContact CA-O 3.48Å; F233-L264 HydrophobicContact CD1-CD1 4.23Å; F233-L264 HydrophobicContact CE1-CB 4.4Å; F233-L264 HydrophobicContact CE1-CD1 3.68Å; F233-L264 HydrophobicContact CE2-CD1 4.3Å; F233-L264 HydrophobicContact CZ-CD1 3.74Å; F233-L278 HydrophobicContact CE1-CD1 4.3Å; F233-C303 VanDerWaalsContact O-CB 3.29Å; F233-C303 WeakPolarHBondContact O-CB 3.2Å |
| 234 | R | 85.3 | Confident | 69 | Low | 37 Ų | 37 | 56.4 Ų | 56.4 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.5 | 172.3 | 175.1 | -178.2 | 171.2 | -147 | -0.8 | 108.9 | Y263 I265 C303 S311 F327 | R234-Y263 PolarHBondContact N-O 2.88Å; R234-Y263 PolarHBondContact O-N 3.33Å; R234-I265 HydrophobicContact CB-CD1 4.38Å; R234-C303 HydrophobicContact CB-CB 4.09Å; R234-S311 PolarHBondContact NE-OG 3.05Å; R234-S311 VanDerWaalsContact NH2-CB 3.34Å; R234-S311 PolarHBondContact NH2-OG 2.77Å; R234-F327 VanDerWaalsContact NH1-CG 3.28Å |
| 235 | S | 73.8 | Confident | 67.1 | Low | 26 Ų | 26 | 53.1 Ų | 53.1 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 135.2 | 166.5 | 49.2 | 0 | 0 | 0 | 0 | 109.5 | S237 | S235-S237 PolarHBondContact O-N 3.21Å |
| 236 | G | 56.7 | Low | 65.4 | Low | 23 Ų | 23 | 55.3 Ų | 55.3 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | trans | -69.8 | 9.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | H238 D261 | G236-H238 PolarHBondContact O-N 2.78Å; G236-D261 PolarHBondContact N-O 3.1Å | ||
| 237 | S | 51.5 | Low | 63.3 | Low | 34 Ų | 34 | 58.3 Ų | 58.3 | 24% | 0.238 | 33% | 0.329 | C | S | . | . | trans | -55.4 | 116.2 | -179.9 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | S235 G239 | S235-S237 PolarHBondContact O-N 3.21Å; S237-G239 PolarHBondContact O-N 2.86Å | ||
| 238 | H | 43.5 | Very low | 60.9 | Low | 181 Ų | 181 | 67.7 Ų | 67.7 | 84% | 0.838 | 37% | 0.37 | S | S | * | . | trans | -45.7 | 128.3 | 162.1 | -82.3 | -92.2 | 0 | 0 | 0 | 107.6 | G236 | G236-H238 PolarHBondContact O-N 2.78Š| ||
| 239 | G | 36.9 | Very low | 58.5 | Low | 26 Ų | 26 | 75.9 Ų | 75.9 | 27% | 0.268 | 41% | 0.406 | S | S | . | . | trans | -45.9 | 142.4 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S237 Q241 | S237-G239 PolarHBondContact O-N 2.86Å; G239-Q241 VanDerWaalsContact C-N 3.3Å; G239-Q241 PolarHBondContact O-N 3.18Å | ||
| 240 | L | 36.4 | Very low | 56.2 | Low | 57 Ų | 57 | 76.7 Ų | 76.7 | 30% | 0.298 | 42% | 0.422 | S | S | . | . | trans | -47.1 | 90.3 | 172.8 | -73.4 | 108.1 | 0 | 0 | 0 | 111.3 | N245 | L240-N245 HydrophobicContact CD2-CB 4.22Š| ||
| 241 | Q | 36.5 | Very low | 53.7 | Low | 184 Ų | 184 | 83.7 Ų | 83.7 | 86% | 0.86 | 45% | 0.447 | S | S | * | . | trans | -109.9 | 0.8 | 161.7 | -76.6 | -168.5 | -4.8 | 0 | 0 | 111.5 | G239 | G239-Q241 VanDerWaalsContact C-N 3.3Å; G239-Q241 PolarHBondContact O-N 3.18Å | ||
| 242 | N | 37 | Very low | 51.7 | Low | 111 Ų | 111 | 87.1 Ų | 87.1 | 59% | 0.594 | 47% | 0.465 | S | S | * | . | trans | -102 | 118.3 | 171.3 | -81.1 | -8.4 | 0 | 0 | 0 | 110.9 | T244 | N242-T244 PolarHBondContact O-N 3.01Š| ||
| 243 | P | 42.5 | Very low | 49.4 | Very low | 119 Ų | 119 | 89.5 Ų | 89.5 | 77% | 0.773 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | 10 | 177 | 27.6 | -33.7 | 0 | 0 | 0 | 114.2 | ||
| 244 | T | 42.8 | Very low | 47.5 | Very low | 103 Ų | 103 | 91.7 Ų | 91.7 | 63% | 0.632 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -7.8 | -176.3 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | N242 V246 | N242-T244 PolarHBondContact O-N 3.01Å; T244-V246 VanDerWaalsContact C-N 3.32Å |
| 245 | N | 43.4 | Very low | 45.6 | Very low | 69 Ų | 69 | 96 Ų | 96 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -96.6 | 18 | -179.5 | -68.5 | -5.9 | 0 | 0 | 0 | 113.1 | L240 I252 T253 | L240-N245 HydrophobicContact CD2-CB 4.22Å; N245-I252 WeakPolarHBondContact O-CA 3.48Å; N245-T253 PolarHBondContact O-N 2.83Å; N245-T253 PolarHBondContact O-OG1 3.01Å |
| 246 | V | 44.9 | Very low | 44.4 | Very low | 65 Ų | 65 | 97.5 Ų | 97.5 | 39% | 0.394 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -127.9 | 108.1 | 177.1 | -173.5 | 0 | 0 | 0 | 0 | 106.7 | T244 G250 R251 | T244-V246 VanDerWaalsContact C-N 3.32Å; V246-G250 VanDerWaalsContact CG1-CA 3.45Å; V246-R251 WeakPolarHBondContact CA-O 3.5Å |
| 247 | D | 45.4 | Very low | 44 | Very low | 89 Ų | 89 | 102.3 Ų | 102.3 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | trans | -59.2 | 162 | 172.3 | -71.1 | -18.6 | 0 | 0 | 0 | 109.9 | K249 G250 R251 | D247-K249 PolarHBondContact O-N 2.91Å; D247-G250 PolarHBondContact O-N 3.48Å; D247-R251 PolarHBondContact N-O 3.24Å | ||
| 248 | E | 42.6 | Very low | 44.1 | Very low | 210 Ų | 210 | 108.2 Ų | 108.2 | 98% | 0.981 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.1 | -11.2 | 175.3 | -64.5 | -178.9 | 160.6 | 0 | 0 | 114.6 | ||
| 249 | K | 45.7 | Very low | 44.5 | Very low | 173 Ų | 173 | 106.9 Ų | 106.9 | 75% | 0.752 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 9.7 | 177.2 | -62.2 | -177.7 | -179.3 | 175 | 0 | 114.9 | D247 R251 | D247-K249 PolarHBondContact O-N 2.91Å; K249-R251 VanDerWaalsContact C-N 3.31Å; K249-R251 PolarHBondContact O-N 3.29Å |
| 250 | G | 44 | Very low | 45.8 | Very low | 56 Ų | 56 | 107.6 Ų | 107.6 | 58% | 0.577 | 57% | 0.572 | S | S | * | * | trans | 74 | 18 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V246 D247 | V246-G250 VanDerWaalsContact CG1-CA 3.45Å; D247-G250 PolarHBondContact O-N 3.48Å | ||
| 251 | R | 43.3 | Very low | 47.5 | Very low | 156 Ų | 156 | 107.8 Ų | 107.8 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | trans | -89.7 | 122.7 | -177.9 | -69.9 | -178.1 | 177.2 | -174.6 | -4.6 | 110.3 | V246 D247 K249 T253 | V246-R251 WeakPolarHBondContact CA-O 3.5Å; D247-R251 PolarHBondContact N-O 3.24Å; K249-R251 VanDerWaalsContact C-N 3.31Å; K249-R251 PolarHBondContact O-N 3.29Å; R251-T253 PolarHBondContact O-N 3.07Å | ||
| 252 | I | 51.5 | Low | 49.7 | Very low | 78 Ų | 78 | 100.3 Ų | 100.3 | 40% | 0.4 | 54% | 0.539 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 111.6 | 172 | -57 | 172.8 | 0 | 0 | 0 | 107.9 | N245 L254 | N245-I252 WeakPolarHBondContact O-CA 3.48Å; I252-L254 HydrophobicContact CG2-CD2 3.79Å; I252-L254 HydrophobicContact CG2-CG 3.94Å; I252-L254 PolarHBondContact O-N 2.92Å; I252-L254 VanDerWaalsContact O-N 3.14Å |
| 253 | T | 44.6 | Very low | 52.1 | Low | 52 Ų | 52 | 96.9 Ų | 96.9 | 32% | 0.319 | 52% | 0.519 | S | S | . | . | trans | -78.9 | 93.1 | 170.3 | 51.7 | 0 | 0 | 0 | 0 | 108.4 | N245 R251 L255 | N245-T253 PolarHBondContact O-N 2.83Å; N245-T253 PolarHBondContact O-OG1 3.01Å; R251-T253 PolarHBondContact O-N 3.07Å; T253-L255 PolarHBondContact O-N 2.89Å | ||
| 254 | L | 48.7 | Very low | 54.5 | Low | 76 Ų | 76 | 91.2 Ų | 91.2 | 40% | 0.398 | 48% | 0.482 | S | S | . | . | trans | -77.7 | 62.9 | 171.6 | -65.3 | 171.9 | 0 | 0 | 0 | 109.8 | I252 P256 | I252-L254 HydrophobicContact CG2-CD2 3.79Å; I252-L254 HydrophobicContact CG2-CG 3.94Å; I252-L254 PolarHBondContact O-N 2.92Å; I252-L254 VanDerWaalsContact O-N 3.14Å; L254-P256 VanDerWaalsContact O-CD 3.23Å; L254-P256 WeakPolarHBondContact O-CD 3.46Å | ||
| 255 | L | 45.7 | Very low | 56.8 | Low | 129 Ų | 129 | 86.3 Ų | 86.3 | 68% | 0.675 | 45% | 0.452 | S | S | * | . | trans | -92 | 104.9 | 160.6 | -72.9 | 172.5 | 0 | 0 | 0 | 106.5 | F195 T253 D257 | F195-L255 HydrophobicContact CE2-CD2 4.28Å; T253-L255 PolarHBondContact O-N 2.89Å; L255-D257 PolarHBondContact O-N 3.29Å | ||
| 256 | P | 49.2 | Very low | 59.3 | Low | 56 Ų | 56 | 83 Ų | 83 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | trans | -62.1 | 126.8 | 169.6 | 23.8 | -28.1 | 0 | 0 | 0 | 107.8 | L254 N260 | L254-P256 VanDerWaalsContact O-CD 3.23Å; L254-P256 WeakPolarHBondContact O-CD 3.46Å; P256-N260 HydrophobicContact CB-CB 3.82Å | ||
| 257 | D | 48.8 | Very low | 61.6 | Low | 125 Ų | 125 | 80 Ų | 80 | 67% | 0.668 | 42% | 0.415 | S | S | * | . | trans | -48.3 | 144.9 | 161 | -65.3 | -39.8 | 0 | 0 | 0 | 109.2 | L255 N259 N260 | L255-D257 PolarHBondContact O-N 3.29Å; D257-N259 PolarHBondContact O-N 3.07Å; D257-N260 PolarHBondContact N-ND2 3Å; D257-N260 WeakPolarHBondContact O-CB 3.41Å; D257-N260 PolarHBondContact O-N 3.41Å | ||
| 258 | D | 51.7 | Low | 63.8 | Low | 157 Ų | 157 | 75.7 Ų | 75.7 | 84% | 0.84 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -13.3 | -173.6 | -76 | -28 | 0 | 0 | 0 | 115.1 | ||
| 259 | N | 53.7 | Low | 66.1 | Low | 154 Ų | 154 | 70.5 Ų | 70.5 | 82% | 0.824 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 1.6 | 178.3 | -73.6 | -27.9 | 0 | 0 | 0 | 115 | D257 | D257-N259 PolarHBondContact O-N 3.07Š|
| 260 | N | 63.1 | Low | 68.2 | Low | 41 Ų | 41 | 65.2 Ų | 65.2 | 22% | 0.219 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 117.3 | -176.5 | -76.2 | -40 | 0 | 0 | 0 | 112 | P256 D257 V262 | P256-N260 HydrophobicContact CB-CB 3.82Å; D257-N260 PolarHBondContact N-ND2 3Å; D257-N260 WeakPolarHBondContact O-CB 3.41Å; D257-N260 PolarHBondContact O-N 3.41Å; N260-V262 PolarHBondContact O-N 3.44Å |
| 261 | D | 73 | Confident | 70.3 | Confident | 61 Ų | 61 | 62.6 Ų | 62.6 | 33% | 0.326 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -62 | 129.2 | 171.6 | -70 | -35.5 | 0 | 0 | 0 | 110.9 | G236 Y263 K277 | G236-D261 PolarHBondContact N-O 3.1Å; D261-Y263 HydrophobicContact CB-CD2 4.42Å; D261-Y263 HydrophobicContact CB-CE2 3.61Å; D261-K277 WeakPolarHBondContact OD1-CE 3.47Å; D261-K277 IonicContact OD1-NZ 2.69Å; D261-K277 PolarHBondContact OD1-NZ 2.8Å; D261-K277 WeakPolarHBondContact OD2-CE 3.36Å; D261-K277 IonicContact OD2-NZ 2.73Å; D261-K277 PolarHBondContact OD2-NZ 2.99Å |
| 262 | V | 82.6 | Confident | 72.5 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.7 | 172.2 | -176 | 0 | 0 | 0 | 0 | 108.9 | P193 F233 N260 L278 | P193-V262 HydrophobicContact CG-CG1 4.17Å; F233-V262 HydrophobicContact CD1-CG1 4.32Å; N260-V262 PolarHBondContact O-N 3.44Å; V262-L278 HydrophobicContact CB-CB 4.44Å; V262-L278 HydrophobicContact CB-CD1 4.42Å; V262-L278 HydrophobicContact CG1-CD1 3.98Å; V262-L278 WeakPolarHBondContact O-CB 3.38Å; V262-L278 PolarHBondContact O-N 2.97Å |
| 263 | Y | 87.7 | Confident | 74.4 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133.7 | 176.7 | -57.5 | -97.9 | 0 | 0 | 0 | 110.3 | F233 R234 D261 W276 K277 V287 | F233-Y263 WeakPolarHBondContact CA-O 3.48Å; R234-Y263 PolarHBondContact N-O 2.88Å; R234-Y263 PolarHBondContact O-N 3.33Å; D261-Y263 HydrophobicContact CB-CD2 4.42Å; D261-Y263 HydrophobicContact CB-CE2 3.61Å; Y263-W276 CarbonylContact C-O 3.46Å; Y263-W276 VanDerWaalsContact CA-O 3.24Å; Y263-W276 WeakPolarHBondContact CA-O 3.24Å; Y263-K277 HydrophobicContact CD1-CB 3.85Å; Y263-K277 HydrophobicContact CD1-CG 4.4Å; Y263-K277 HydrophobicContact CE1-CB 3.76Å; Y263-K277 HydrophobicContact CE1-CD 4.06Å; Y263-K277 HydrophobicContact CE1-CG 4.05Å; Y263-V287 HydrophobicContact CD1-CG2 4.49Å; Y263-V287 HydrophobicContact CE1-CG2 4.19Å |
| 264 | L | 91.2 | Very high | 76.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.5 | 168.8 | 172.8 | 72.4 | 0 | 0 | 0 | 108.3 | V207 F221 I231 F233 T266 W276 L278 | V207-L264 HydrophobicContact CG1-CD2 4.31Å; F221-L264 HydrophobicContact CD1-CD2 4.3Å; F221-L264 HydrophobicContact CD2-CD2 3.53Å; F221-L264 HydrophobicContact CE1-CD2 4.23Å; F221-L264 HydrophobicContact CE2-CD2 3.49Å; F221-L264 VanDerWaalsContact CE2-CD2 3.49Å; F221-L264 HydrophobicContact CG-CD2 3.98Å; F221-L264 HydrophobicContact CZ-CD2 3.87Å; I231-L264 HydrophobicContact CG2-CD1 3.48Å; I231-L264 VanDerWaalsContact CG2-CD1 3.48Å; F233-L264 HydrophobicContact CD1-CD1 4.23Å; F233-L264 HydrophobicContact CE1-CB 4.4Å; F233-L264 HydrophobicContact CE1-CD1 3.68Å; F233-L264 HydrophobicContact CE2-CD1 4.3Å; F233-L264 HydrophobicContact CZ-CD1 3.74Å; L264-T266 HydrophobicContact CD1-CG2 4.42Å; L264-T266 HydrophobicContact CD2-CG2 4.3Å; L264-T266 HydrophobicContact CG-CG2 4.04Å; L264-W276 HydrophobicContact CB-CB 4.25Å; L264-W276 PolarHBondContact N-O 3.24Å; L264-W276 PolarHBondContact O-N 2.93Å; L264-L278 HydrophobicContact CB-CD1 4.4Å; L264-L278 HydrophobicContact CB-CD2 4.25Å; L264-L278 HydrophobicContact CB-CG 4.36Å |
| 265 | I | 92.5 | Very high | 78.6 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.4 | -179.8 | -54.7 | 171.2 | 0 | 0 | 0 | 108.7 | I231 G232 R234 I273 N274 I301 M313 F327 | I231-I265 CarbonylContact C-O 3.39Å; I231-I265 WeakPolarHBondContact CA-O 3.44Å; G232-I265 PolarHBondContact N-O 2.87Å; G232-I265 PolarHBondContact O-N 3.35Å; R234-I265 HydrophobicContact CB-CD1 4.38Å; I265-I273 HydrophobicContact CG2-CG2 3.39Å; I265-N274 CarbonylContact C-O 2.94Å; I265-N274 VanDerWaalsContact CA-O 3.3Å; I265-N274 WeakPolarHBondContact CA-O 3.49Å; I265-I301 HydrophobicContact CB-CG2 4.36Å; I265-I301 HydrophobicContact CG2-CD1 4.14Å; I265-I301 HydrophobicContact CG2-CG2 4.06Å; I265-M313 HydrophobicContact CD1-CG 4.48Å; I265-M313 HydrophobicContact CD1-SD 3.93Å; I265-M313 HydrophobicContact CG2-SD 3.73Å; I265-F327 HydrophobicContact CD1-CE2 3.76Å; I265-F327 HydrophobicContact CD1-CZ 3.63Å; I265-F327 HydrophobicContact CG1-CZ 4.41Å |
| 266 | T | 94.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128.6 | -170.4 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | V207 Q223 I231 L264 I273 N274 W276 | V207-T266 HydrophobicContact CG2-CG2 3.69Å; Q223-T266 PolarHBondContact OE1-OG1 3.16Å; I231-T266 HydrophobicContact CG1-CG2 4.5Å; L264-T266 HydrophobicContact CD1-CG2 4.42Å; L264-T266 HydrophobicContact CD2-CG2 4.3Å; L264-T266 HydrophobicContact CG-CG2 4.04Å; T266-I273 CarbonylContact O-C 3.59Å; T266-I273 VanDerWaalsContact O-CA 3.28Å; T266-I273 WeakPolarHBondContact O-CA 3.47Å; T266-N274 PolarHBondContact N-O 3.43Å; T266-N274 PolarHBondContact O-N 3.42Å; T266-N274 PolarHBondContact OG1-O 3.03Å; T266-W276 PolarHBondContact OG1-NE1 2.82Å |
| 267 | G | 93.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 143.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T229 S230 Y272 | T229-G267 PolarHBondContact N-O 3.32Å; T229-G267 PolarHBondContact OG1-O 2.76Å; S230-G267 PolarHBondContact O-N 3.44Å; G267-Y272 WeakPolarHBondContact CA-O 3.39Å |
| 268 | C | 92.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 165 | -179.9 | -42.3 | 0 | 0 | 0 | 0 | 112.6 | Q223 G225 A227 T270 G271 Y272 V298 | Q223-C268 PolarHBondContact NE2-SG 3.43Å; G225-C268 VanDerWaalsContact O-CB 3.31Å; G225-C268 WeakPolarHBondContact O-CB 3.42Å; A227-C268 WeakPolarHBondContact O-CA 3.44Å; C268-T270 PolarHBondContact O-N 2.96Å; C268-G271 PolarHBondContact O-N 3.28Å; C268-Y272 PolarHBondContact N-O 3.39Å; C268-V298 PolarHBondContact O-N 2.83Å |
| 269 | E | 91.2 | Very high | 85.7 | Confident | 101 Ų | 101 | 34.8 Ų | 34.8 | 47% | 0.472 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -28 | 172 | 66.7 | -179.1 | 165.1 | 0 | 0 | 114 | G226 A227 T229 G271 S297 | G226-E269 WeakPolarHBondContact CA-OE1 3.44Å; A227-E269 HydrophobicContact CB-CG 4.48Å; A227-E269 PolarHBondContact N-OE1 3.3Å; A227-E269 VanDerWaalsContact N-OE1 3.08Å; A227-E269 PolarHBondContact O-N 2.81Å; T229-E269 HydrophobicContact CG2-CB 4.15Å; E269-G271 PolarHBondContact O-N 3.04Å; E269-S297 WeakPolarHBondContact O-CA 3.49Å; E269-S297 PolarHBondContact O-N 3.46Å |
| 270 | T | 89 | Confident | 86.6 | Confident | 62 Ų | 62 | 33.7 Ų | 33.7 | 38% | 0.38 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.5 | 176.6 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | G225 C268 | G225-T270 VanDerWaalsContact CA-OG1 3.29Å; G225-T270 WeakPolarHBondContact CA-OG1 3.44Å; G225-T270 WeakPolarHBondContact O-CB 3.39Å; G225-T270 WeakPolarHBondContact O-CG2 3.34Å; G225-T270 PolarHBondContact O-N 2.77Å; G225-T270 PolarHBondContact O-OG1 3.01Å; C268-T270 PolarHBondContact O-N 2.96Å |
| 271 | G | 88.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 88.1 | 7.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | C268 E269 H294 G296 | C268-G271 PolarHBondContact O-N 3.28Å; E269-G271 PolarHBondContact O-N 3.04Å; G271-H294 PolarHBondContact O-N 3.38Å; G271-G296 WeakPolarHBondContact CA-O 3.39Å |
| 272 | Y | 90.2 | Very high | 87.1 | Confident | 42 Ų | 42 | 39 Ų | 39 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | trans | -81.3 | 145.5 | 179.9 | -68.3 | 9.6 | 0 | 0 | 0 | 110 | G267 C268 R291 | G267-Y272 WeakPolarHBondContact CA-O 3.39Å; C268-Y272 PolarHBondContact N-O 3.39Å; Y272-R291 VanDerWaalsContact CD1-C 3.5Å; Y272-R291 HydrophobicContact CD1-CB 4.2Å; Y272-R291 WeakPolarHBondContact CD1-O 3.43Å; Y272-R291 HydrophobicContact CD2-CG 4.24Å; Y272-R291 HydrophobicContact CE1-CB 3.97Å; Y272-R291 WeakPolarHBondContact CE1-O 3.23Å; Y272-R291 HydrophobicContact CE2-CB 4.29Å; Y272-R291 HydrophobicContact CE2-CG 4.06Å | ||
| 273 | I | 91 | Very high | 87 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.9 | 172.1 | -59 | -168.4 | 0 | 0 | 0 | 109.1 | I265 T266 E289 A290 L293 V298 I301 M313 T315 | I265-I273 HydrophobicContact CG2-CG2 3.39Å; T266-I273 CarbonylContact O-C 3.59Å; T266-I273 VanDerWaalsContact O-CA 3.28Å; T266-I273 WeakPolarHBondContact O-CA 3.47Å; I273-E289 CarbonylContact O-C 3.59Å; I273-A290 HydrophobicContact CB-CB 4.38Å; I273-A290 PolarHBondContact N-O 3.39Å; I273-A290 PolarHBondContact O-N 3.22Å; I273-L293 HydrophobicContact CD1-CB 4.36Å; I273-L293 HydrophobicContact CD1-CD2 3.4Å; I273-L293 VanDerWaalsContact CD1-CD2 3.4Å; I273-L293 HydrophobicContact CD1-CG 4.47Å; I273-L293 HydrophobicContact CG1-CD2 4.35Å; I273-V298 HydrophobicContact CD1-CG1 4.05Å; I273-V298 HydrophobicContact CD1-CG2 4.27Å; I273-V298 HydrophobicContact CG1-CG1 4.42Å; I273-V298 HydrophobicContact CG1-CG2 3.93Å; I273-I301 HydrophobicContact CD1-CD1 4.29Å; I273-I301 HydrophobicContact CG2-CD1 4.46Å; I273-M313 HydrophobicContact CD1-CE 4.32Å; I273-M313 HydrophobicContact CG2-SD 4.38Å; I273-T315 HydrophobicContact CD1-CG2 3.65Å |
| 274 | N | 90.9 | Very high | 86.8 | Confident | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 145.9 | 174.1 | -66.5 | -53.6 | 0 | 0 | 0 | 110.3 | Q223 I265 T266 E289 | Q223-N274 WeakPolarHBondContact CB-ND2 3.3Å; Q223-N274 PolarHBondContact OE1-ND2 3.42Å; I265-N274 CarbonylContact C-O 2.94Å; I265-N274 VanDerWaalsContact CA-O 3.3Å; I265-N274 WeakPolarHBondContact CA-O 3.49Å; T266-N274 PolarHBondContact N-O 3.43Å; T266-N274 PolarHBondContact O-N 3.42Å; T266-N274 PolarHBondContact OG1-O 3.03Å; N274-E289 VanDerWaalsContact OD1-CB 3.26Å; N274-E289 WeakPolarHBondContact OD1-CB 3.28Å; N274-E289 WeakPolarHBondContact OD1-CG 3.41Å |
| 275 | C | 89.9 | Confident | 86.5 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.2 | 179.8 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | V287 G288 F327 | C275-V287 PolarHBondContact O-N 2.95Å; C275-G288 PolarHBondContact N-O 2.71Å; C275-G288 PolarHBondContact O-N 3.47Å; C275-F327 HydrophobicContact CB-CE1 4.22Å |
| 276 | W | 89.5 | Confident | 86.2 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.2 | -177.8 | -51.1 | 84.9 | 0 | 0 | 0 | 108.8 | F221 A222 Q223 Y263 L264 T266 R285 | F221-W276 HydrophobicContact CD1-CB 4.36Å; F221-W276 AromaticContact CD1-CD2 3.76Å; F221-W276 HydrophobicContact CD1-CD2 3.76Å; F221-W276 AromaticContact CD1-CE3 3.8Å; F221-W276 HydrophobicContact CD1-CE3 3.8Å; F221-W276 HydrophobicContact CD1-CG 4.02Å; F221-W276 HydrophobicContact CD1-CZ3 4.35Å; F221-W276 HydrophobicContact CE1-CB 4.2Å; F221-W276 HydrophobicContact CE1-CD2 4.4Å; F221-W276 HydrophobicContact CE1-CE3 4.37Å; F221-W276 HydrophobicContact CE1-CG 4.35Å; A222-W276 WeakPolarHBondContact O-CH2 3.46Å; Q223-W276 HydrophobicContact CB-CZ2 4.3Å; Y263-W276 CarbonylContact C-O 3.46Å; Y263-W276 VanDerWaalsContact CA-O 3.24Å; Y263-W276 WeakPolarHBondContact CA-O 3.24Å; L264-W276 HydrophobicContact CB-CB 4.25Å; L264-W276 PolarHBondContact N-O 3.24Å; L264-W276 PolarHBondContact O-N 2.93Å; T266-W276 PolarHBondContact OG1-NE1 2.82Å; W276-R285 CarbonylContact C-O 3.56Å; W276-R285 WeakPolarHBondContact CA-O 3.23Å |
| 277 | K | 87.6 | Confident | 85.7 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 19% | 0.191 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121 | 168.7 | 175.8 | 169.9 | 171.5 | 163.8 | 0 | 108.8 | D261 Y263 Q279 S284 R285 V287 | D261-K277 WeakPolarHBondContact OD1-CE 3.47Å; D261-K277 IonicContact OD1-NZ 2.69Å; D261-K277 PolarHBondContact OD1-NZ 2.8Å; D261-K277 WeakPolarHBondContact OD2-CE 3.36Å; D261-K277 IonicContact OD2-NZ 2.73Å; D261-K277 PolarHBondContact OD2-NZ 2.99Å; Y263-K277 HydrophobicContact CD1-CB 3.85Å; Y263-K277 HydrophobicContact CD1-CG 4.4Å; Y263-K277 HydrophobicContact CE1-CB 3.76Å; Y263-K277 HydrophobicContact CE1-CD 4.06Å; Y263-K277 HydrophobicContact CE1-CG 4.05Å; K277-Q279 HydrophobicContact CG-CG 4.29Å; K277-S284 WeakPolarHBondContact O-CA 3.31Å; K277-R285 PolarHBondContact N-O 2.82Å; K277-R285 PolarHBondContact O-N 2.85Å; K277-V287 HydrophobicContact CB-CG2 3.4Å |
| 278 | L | 86.9 | Confident | 85 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 118.9 | 172.3 | -53.5 | -178.6 | 0 | 0 | 0 | 107.3 | M219 F221 F233 V262 L264 | M219-L278 HydrophobicContact CE-CD2 4.36Å; M219-L278 HydrophobicContact SD-CD2 4.12Å; F221-L278 HydrophobicContact CE1-CD2 3.99Å; F221-L278 HydrophobicContact CE2-CD2 4.42Å; F221-L278 HydrophobicContact CZ-CD2 3.45Å; F221-L278 VanDerWaalsContact CZ-CD2 3.45Å; F233-L278 HydrophobicContact CE1-CD1 4.3Å; V262-L278 HydrophobicContact CB-CB 4.44Å; V262-L278 HydrophobicContact CB-CD1 4.42Å; V262-L278 HydrophobicContact CG1-CD1 3.98Å; V262-L278 WeakPolarHBondContact O-CB 3.38Å; V262-L278 PolarHBondContact O-N 2.97Å; L264-L278 HydrophobicContact CB-CD1 4.4Å; L264-L278 HydrophobicContact CB-CD2 4.25Å; L264-L278 HydrophobicContact CB-CG 4.36Å |
| 279 | Q | 80.4 | Confident | 84.6 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -103.6 | 164 | 178.1 | -63.1 | -176 | -24.5 | 0 | 0 | 109.9 | K277 K283 | K277-Q279 HydrophobicContact CG-CG 4.29Å; Q279-K283 WeakPolarHBondContact CA-O 3.16Å; Q279-K283 HydrophobicContact CB-CB 4.29Å; Q279-K283 WeakPolarHBondContact CB-O 3.49Å; Q279-K283 PolarHBondContact N-O 2.8Å |
| 280 | N | 74 | Confident | 84.3 | Confident | 130 Ų | 130 | 57.4 Ų | 57.4 | 70% | 0.695 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -62 | 157.7 | 172.4 | -62.5 | -3.6 | 0 | 0 | 0 | 110.4 | ||
| 281 | N | 72.4 | Confident | 83.8 | Confident | 156 Ų | 156 | 61.1 Ų | 61.1 | 83% | 0.834 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 30.1 | -179.6 | -52.4 | -14.3 | 0 | 0 | 0 | 115.4 | K283 | N281-K283 PolarHBondContact O-N 3.32Å; N281-K283 VanDerWaalsContact O-N 3.15Å |
| 282 | G | 73.1 | Confident | 83.2 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 12.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 283 | K | 80.7 | Confident | 82.8 | Confident | 139 Ų | 139 | 63.2 Ų | 63.2 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | trans | -87.2 | 149.1 | 173.8 | -68.4 | -176.1 | -179.8 | -179.9 | 0 | 109.8 | Q279 N281 | Q279-K283 WeakPolarHBondContact CA-O 3.16Å; Q279-K283 HydrophobicContact CB-CB 4.29Å; Q279-K283 WeakPolarHBondContact CB-O 3.49Å; Q279-K283 PolarHBondContact N-O 2.8Å; N281-K283 PolarHBondContact O-N 3.32Å; N281-K283 VanDerWaalsContact O-N 3.15Å | ||
| 284 | S | 84.4 | Confident | 82.7 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.3 | 171.9 | 73.3 | 0 | 0 | 0 | 0 | 109.7 | F221 K277 | F221-S284 WeakPolarHBondContact CE1-OG 3.49Å; K277-S284 WeakPolarHBondContact O-CA 3.31Å |
| 285 | R | 85.2 | Confident | 82.3 | Confident | 165 Ų | 165 | 68 Ų | 68 | 62% | 0.623 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 127.9 | 176.1 | 178.1 | 175.5 | 174.8 | 179.7 | -0.2 | 108.9 | W276 K277 V287 | W276-R285 CarbonylContact C-O 3.56Å; W276-R285 WeakPolarHBondContact CA-O 3.23Å; K277-R285 PolarHBondContact N-O 2.82Å; K277-R285 PolarHBondContact O-N 2.85Å; R285-V287 PolarHBondContact O-N 2.8Å |
| 286 | S | 85.9 | Confident | 82.2 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 122.2 | 165.3 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | ||
| 287 | V | 82.5 | Confident | 82.3 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 26% | 0.255 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -39.8 | -176.2 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | Y263 C275 K277 R285 | Y263-V287 HydrophobicContact CD1-CG2 4.49Å; Y263-V287 HydrophobicContact CE1-CG2 4.19Å; C275-V287 PolarHBondContact O-N 2.95Å; K277-V287 HydrophobicContact CB-CG2 3.4Å; R285-V287 PolarHBondContact O-N 2.8Å |
| 288 | G | 79.3 | Confident | 82.6 | Confident | 10 Ų | 10 | 66 Ų | 66 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 150.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | C275 | C275-G288 PolarHBondContact N-O 2.71Å; C275-G288 PolarHBondContact O-N 3.47Å |
| 289 | E | 84.4 | Confident | 82.9 | Confident | 68 Ų | 68 | 65.7 Ų | 65.7 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.6 | 177 | 171.9 | 177.5 | -169.5 | 0 | 0 | 109.2 | I273 N274 R291 | I273-E289 CarbonylContact O-C 3.59Å; N274-E289 VanDerWaalsContact OD1-CB 3.26Å; N274-E289 WeakPolarHBondContact OD1-CB 3.28Å; N274-E289 WeakPolarHBondContact OD1-CG 3.41Å; E289-R291 HydrophobicContact CG-CG 3.72Å; E289-R291 WeakPolarHBondContact OE1-CG 3.22Å; E289-R291 IonicContact OE1-CZ 3.7Å; E289-R291 IonicContact OE1-NE 3.89Å; E289-R291 PolarHBondContact OE1-NE 2.91Å; E289-R291 IonicContact OE1-NH2 3.74Å; E289-R291 IonicContact OE2-CZ 3.63Å; E289-R291 VanDerWaalsContact OE2-CZ 3.32Å; E289-R291 IonicContact OE2-NE 3.99Å; E289-R291 PolarHBondContact OE2-NE 2.85Å; E289-R291 IonicContact OE2-NH2 3.12Å; E289-R291 PolarHBondContact OE2-NH2 3.48Å |
| 290 | A | 85.6 | Confident | 83.5 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 13% | 0.132 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 83.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I273 N292 L293 P334 | I273-A290 HydrophobicContact CB-CB 4.38Å; I273-A290 PolarHBondContact N-O 3.39Å; I273-A290 PolarHBondContact O-N 3.22Å; A290-N292 PolarHBondContact O-N 3.3Å; A290-L293 HydrophobicContact CB-CB 4.28Å; A290-P334 HydrophobicContact CB-CG 3.72Å |
| 291 | R | 77.8 | Confident | 84.5 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 53% | 0.532 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -0.4 | -176.8 | -63.7 | -169.4 | 179.3 | 169.3 | 5.5 | 116.8 | Y272 E289 | Y272-R291 VanDerWaalsContact CD1-C 3.5Å; Y272-R291 HydrophobicContact CD1-CB 4.2Å; Y272-R291 WeakPolarHBondContact CD1-O 3.43Å; Y272-R291 HydrophobicContact CD2-CG 4.24Å; Y272-R291 HydrophobicContact CE1-CB 3.97Å; Y272-R291 WeakPolarHBondContact CE1-O 3.23Å; Y272-R291 HydrophobicContact CE2-CB 4.29Å; Y272-R291 HydrophobicContact CE2-CG 4.06Å; E289-R291 HydrophobicContact CG-CG 3.72Å; E289-R291 WeakPolarHBondContact OE1-CG 3.22Å; E289-R291 IonicContact OE1-CZ 3.7Å; E289-R291 IonicContact OE1-NE 3.89Å; E289-R291 PolarHBondContact OE1-NE 2.91Å; E289-R291 IonicContact OE1-NH2 3.74Å; E289-R291 IonicContact OE2-CZ 3.63Å; E289-R291 VanDerWaalsContact OE2-CZ 3.32Å; E289-R291 IonicContact OE2-NE 3.99Å; E289-R291 PolarHBondContact OE2-NE 2.85Å; E289-R291 IonicContact OE2-NH2 3.12Å; E289-R291 PolarHBondContact OE2-NH2 3.48Å |
| 292 | N | 74.8 | Confident | 85.4 | Confident | 69 Ų | 69 | 53.3 Ų | 53.3 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -153.2 | 29.1 | -174.6 | -76.8 | -74.9 | 0 | 0 | 0 | 111.2 | A290 | A290-N292 PolarHBondContact O-N 3.3Š|
| 293 | L | 83.4 | Confident | 86.2 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -64.5 | -50.4 | 175.8 | -165.1 | 72.1 | 0 | 0 | 0 | 108.7 | I273 A290 M313 T315 K323 T336 | I273-L293 HydrophobicContact CD1-CB 4.36Å; I273-L293 HydrophobicContact CD1-CD2 3.4Å; I273-L293 VanDerWaalsContact CD1-CD2 3.4Å; I273-L293 HydrophobicContact CD1-CG 4.47Å; I273-L293 HydrophobicContact CG1-CD2 4.35Å; A290-L293 HydrophobicContact CB-CB 4.28Å; L293-M313 HydrophobicContact CD2-CE 4.07Å; L293-T315 HydrophobicContact CD2-CG2 4.03Å; L293-K323 HydrophobicContact CD1-CD 4.3Å; L293-K323 HydrophobicContact CG-CD 4.19Å; L293-K323 PolarHBondContact O-NZ 2.8Å; L293-T336 VanDerWaalsContact CD1-OG1 3.26Å; L293-T336 WeakPolarHBondContact CD1-OG1 3.15Å |
| 294 | H | 88.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | trans | -111.5 | 157.5 | 171.5 | -71.8 | -92 | 0 | 0 | 0 | 111.5 | G271 G296 V298 T315 S316 G317 D319 C321 | G271-H294 PolarHBondContact O-N 3.38Å; H294-G296 WeakPolarHBondContact CB-O 3.32Å; H294-V298 HydrophobicContact CB-CG2 4.34Å; H294-T315 WeakPolarHBondContact NE2-CB 3.32Å; H294-T315 PolarHBondContact NE2-OG1 3.39Å; H294-S316 VanDerWaalsContact CE1-C 3.47Å; H294-G317 PolarHBondContact CE1-N 3.43Å; H294-G317 VanDerWaalsContact CE1-N 3.3Å; H294-G317 WeakPolarHBondContact ND1-CA 3.47Å; H294-G317 PolarHBondContact ND1-N 3.01Å; H294-D319 WeakPolarHBondContact CA-OD2 3.31Å; H294-D319 IonicContact CE1-OD1 3.67Å; H294-D319 IonicContact CG-OD1 3.62Å; H294-D319 IonicContact ND1-OD1 2.69Å; H294-D319 PolarHBondContact ND1-OD1 3.06Å; H294-D319 IonicContact ND1-OD2 2.79Å; H294-C321 PolarHBondContact CE1-O 3.15Å; H294-C321 PolarHBondContact CE1-SG 2.86Å; H294-C321 PolarHBondContact ND1-SG 3.07Å | ||
| 295 | W | 82.9 | Confident | 86.2 | Confident | 111 Ų | 111 | 43.7 Ų | 43.7 | 42% | 0.42 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -93.3 | -15.3 | 175.7 | -58.8 | 11.6 | 0 | 0 | 0 | 112.3 | D319 V371 R402 | W295-D319 HydrophobicContact CB-CB 3.93Å; W295-D319 PolarHBondContact N-OD2 3.13Å; W295-V371 HydrophobicContact CH2-CG2 4.46Å; W295-R402 VanDerWaalsContact CE3-NH2 3.26Å; W295-R402 VanDerWaalsContact CZ3-NH2 3.3Å; W295-R402 VanDerWaalsContact NE1-CZ 3.31Å |
| 296 | G | 86.7 | Confident | 85.4 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 16% | 0.155 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -127.5 | -174.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G271 H294 T318 | G271-G296 WeakPolarHBondContact CA-O 3.39Å; H294-G296 WeakPolarHBondContact CB-O 3.32Å; G296-T318 WeakPolarHBondContact CA-OG1 3.24Å |
| 297 | S | 92 | Very high | 84.6 | Confident | 28 Ų | 28 | 34.8 Ų | 34.8 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | trans | -50 | 135.9 | -179.4 | 177.1 | 0 | 0 | 0 | 0 | 113.1 | T229 E269 I299 G317 T318 | T229-S297 WeakPolarHBondContact CG2-OG 3.33Å; E269-S297 WeakPolarHBondContact O-CA 3.49Å; E269-S297 PolarHBondContact O-N 3.46Å; S297-I299 PolarHBondContact O-N 3.13Å; S297-G317 WeakPolarHBondContact O-CA 3.48Å; S297-T318 PolarHBondContact N-OG1 3.23Å; S297-T318 VanDerWaalsContact N-OG1 3.14Å; S297-T318 PolarHBondContact O-N 2.78Å; S297-T318 VanDerWaalsContact O-N 3.07Å | ||
| 298 | V | 93.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 110.9 | 175 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | T229 S230 C268 I273 H294 I301 | T229-V298 VanDerWaalsContact CB-O 3.23Å; T229-V298 WeakPolarHBondContact CB-O 2.8Å; T229-V298 PolarHBondContact OG1-O 2.72Å; S230-V298 PolarHBondContact OG-O 3.39Å; S230-V298 VanDerWaalsContact OG-O 3.11Å; C268-V298 PolarHBondContact O-N 2.83Å; I273-V298 HydrophobicContact CD1-CG1 4.05Å; I273-V298 HydrophobicContact CD1-CG2 4.27Å; I273-V298 HydrophobicContact CG1-CG1 4.42Å; I273-V298 HydrophobicContact CG1-CG2 3.93Å; H294-V298 HydrophobicContact CB-CG2 4.34Å; V298-I301 HydrophobicContact CG1-CD1 4.08Å; V298-I301 HydrophobicContact CG1-CG1 3.79Å |
| 299 | I | 93.1 | Very high | 83.2 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -42.8 | -170.4 | -57.6 | 154.7 | 0 | 0 | 0 | 110.8 | S16 D17 P19 S230 S297 S316 G317 T318 | S16-I299 WeakPolarHBondContact O-CD1 3.29Å; D17-I299 WeakPolarHBondContact O-CG2 3.35Å; P19-I299 HydrophobicContact CB-CG2 4.2Å; S230-I299 WeakPolarHBondContact CB-O 3.23Å; S297-I299 PolarHBondContact O-N 3.13Å; I299-S316 PolarHBondContact N-O 2.82Å; I299-G317 VanDerWaalsContact CD1-C 3.43Å; I299-T318 HydrophobicContact CD1-CG2 3.78Å; I299-T318 HydrophobicContact CG1-CG2 3.9Å |
| 300 | T | 93.1 | Very high | 82.6 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 10% | 0.104 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 144.7 | -179.5 | 49.3 | 0 | 0 | 0 | 0 | 112 | P19 F20 T315 S316 | P19-T300 HydrophobicContact CB-CG2 3.16Å; F20-T300 WeakPolarHBondContact CD1-OG1 3.36Å; F20-T300 WeakPolarHBondContact CE1-OG1 3.32Å; T300-T315 WeakPolarHBondContact O-CA 2.9Å; T300-S316 PolarHBondContact O-N 3.02Å; T300-S316 VanDerWaalsContact O-N 3.13Å; T300-S316 PolarHBondContact OG1-OG 3.28Å |
| 301 | I | 94.2 | Very high | 82.2 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.4 | 172.2 | -60.9 | 171.1 | 0 | 0 | 0 | 106.5 | S230 I265 I273 V298 M313 V314 T315 | S230-I301 WeakPolarHBondContact OG-CD1 3.47Å; S230-I301 WeakPolarHBondContact OG-CG1 3.29Å; I265-I301 HydrophobicContact CB-CG2 4.36Å; I265-I301 HydrophobicContact CG2-CD1 4.14Å; I265-I301 HydrophobicContact CG2-CG2 4.06Å; I273-I301 HydrophobicContact CD1-CD1 4.29Å; I273-I301 HydrophobicContact CG2-CD1 4.46Å; V298-I301 HydrophobicContact CG1-CD1 4.08Å; V298-I301 HydrophobicContact CG1-CG1 3.79Å; I301-M313 HydrophobicContact CG2-CG 3.83Å; I301-M313 HydrophobicContact CG2-SD 3.92Å; I301-V314 WeakPolarHBondContact CA-O 3.49Å; I301-T315 HydrophobicContact CG1-CG2 4.2Å |
| 302 | Y | 92.3 | Very high | 82.6 | Confident | 73 Ų | 73 | 32 Ų | 32 | 29% | 0.286 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.2 | 175.7 | -179.3 | -93.1 | 0 | 0 | 0 | 110.1 | V22 I304 V314 | V22-Y302 HydrophobicContact CB-CD1 4.3Å; V22-Y302 HydrophobicContact CB-CD2 4.41Å; V22-Y302 HydrophobicContact CB-CE1 4.09Å; V22-Y302 HydrophobicContact CB-CE2 4.21Å; V22-Y302 HydrophobicContact CB-CG 4.44Å; V22-Y302 HydrophobicContact CG1-CD1 4.28Å; V22-Y302 HydrophobicContact CG1-CE1 3.76Å; V22-Y302 HydrophobicContact CG2-CD1 3.73Å; V22-Y302 HydrophobicContact CG2-CD2 4.09Å; V22-Y302 HydrophobicContact CG2-CE1 4.03Å; V22-Y302 HydrophobicContact CG2-CE2 4.36Å; V22-Y302 HydrophobicContact CG2-CG 3.75Å; Y302-I304 HydrophobicContact CD1-CG1 4.32Å; Y302-I304 HydrophobicContact CE1-CG1 4.21Å; Y302-V314 PolarHBondContact N-O 3.03Å; Y302-V314 PolarHBondContact O-N 3.37Å |
| 303 | C | 90 | Very high | 83.4 | Confident | 15 Ų | 15 | 28.7 Ų | 28.7 | 10% | 0.101 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.9 | 176.4 | -63 | 0 | 0 | 0 | 0 | 109.5 | F233 R234 P305 A312 | F233-C303 VanDerWaalsContact O-CB 3.29Å; F233-C303 WeakPolarHBondContact O-CB 3.2Å; R234-C303 HydrophobicContact CB-CB 4.09Å; C303-P305 WeakPolarHBondContact O-CD 3.47Å; C303-A312 WeakPolarHBondContact CA-O 3.46Å |
| 304 | I | 86.7 | Confident | 84 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | -71.7 | 118.3 | -180 | -57.4 | -179.4 | 0 | 0 | 0 | 108.9 | Y31 L46 Y302 G306 G309 S311 A312 V314 | Y31-I304 HydrophobicContact CD2-CG2 3.76Å; Y31-I304 HydrophobicContact CE2-CG2 3.82Å; Y31-I304 HydrophobicContact CG-CG2 4.31Å; L46-I304 HydrophobicContact CB-CD1 3.98Å; L46-I304 HydrophobicContact CD1-CD1 4.09Å; L46-I304 HydrophobicContact CD1-CG1 4.48Å; Y302-I304 HydrophobicContact CD1-CG1 4.32Å; Y302-I304 HydrophobicContact CE1-CG1 4.21Å; I304-G306 WeakPolarHBondContact CG2-O 3.47Å; I304-G309 WeakPolarHBondContact CB-O 3.34Å; I304-S311 PolarHBondContact O-N 2.86Å; I304-A312 HydrophobicContact CD1-CB 4.15Å; I304-A312 PolarHBondContact N-O 2.99Å; I304-V314 HydrophobicContact CD1-CG2 4.05Å; I304-V314 HydrophobicContact CG1-CG2 4.09Å | ||
| 305 | P | 77.6 | Confident | 84.3 | Confident | 27 Ų | 27 | 27.9 Ų | 27.9 | 18% | 0.175 | 16% | 0.16 | C | C | . | . | trans | -78.1 | -22.9 | -173.6 | 29.7 | -33.4 | 0 | 0 | 0 | 113.4 | Y31 C303 | Y31-P305 HydrophobicContact CE1-CG 4.34Å; Y31-P305 WeakPolarHBondContact OH-CG 3.39Å; C303-P305 WeakPolarHBondContact O-CD 3.47Å | ||
| 306 | G | 68.7 | Low | 84.8 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -161.7 | -178.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y31 I304 | Y31-G306 VanDerWaalsContact CE2-O 3.22Å; Y31-G306 WeakPolarHBondContact CE2-O 3.45Å; I304-G306 WeakPolarHBondContact CG2-O 3.47Å |
| 307 | G | 68.2 | Low | 85.1 | Confident | 38 Ų | 38 | 21.9 Ų | 21.9 | 39% | 0.392 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 80.5 | -167 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | G309 A310 | G307-G309 PolarHBondContact O-N 3.03Å; G307-A310 WeakPolarHBondContact O-CB 3.33Å; G307-A310 PolarHBondContact O-N 3.27Å |
| 308 | D | 65.6 | Low | 85.1 | Confident | 160 Ų | 160 | 23.6 Ų | 23.6 | 86% | 0.856 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.9 | -176.3 | -67.4 | -6.4 | 0 | 0 | 0 | 114.6 | ||
| 309 | G | 68 | Low | 85 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 19.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I304 G307 S311 A312 | I304-G309 WeakPolarHBondContact CB-O 3.34Å; G307-G309 PolarHBondContact O-N 3.03Å; G309-S311 PolarHBondContact O-N 2.82Å; G309-A312 WeakPolarHBondContact O-CB 3.28Å; G309-A312 PolarHBondContact O-N 2.83Å |
| 310 | A | 72.1 | Confident | 85 | Confident | 29 Ų | 29 | 23 Ų | 23 | 24% | 0.24 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 135.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G307 A312 | G307-A310 WeakPolarHBondContact O-CB 3.33Å; G307-A310 PolarHBondContact O-N 3.27Å; A310-A312 PolarHBondContact O-N 2.87Å |
| 311 | S | 75.9 | Confident | 85 | Confident | 26 Ų | 26 | 22.2 Ų | 22.2 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 3.3 | -175.5 | -83.4 | 0 | 0 | 0 | 0 | 116.8 | R234 I304 G309 | R234-S311 PolarHBondContact NE-OG 3.05Å; R234-S311 VanDerWaalsContact NH2-CB 3.34Å; R234-S311 PolarHBondContact NH2-OG 2.77Å; I304-S311 PolarHBondContact O-N 2.86Å; G309-S311 PolarHBondContact O-N 2.82Å |
| 312 | A | 87.7 | Confident | 85 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 139.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | C303 I304 G309 A310 V324 Y326 | C303-A312 WeakPolarHBondContact CA-O 3.46Å; I304-A312 HydrophobicContact CD1-CB 4.15Å; I304-A312 PolarHBondContact N-O 2.99Å; G309-A312 WeakPolarHBondContact O-CB 3.28Å; G309-A312 PolarHBondContact O-N 2.83Å; A310-A312 PolarHBondContact O-N 2.87Å; A312-V324 HydrophobicContact CB-CG1 3.8Å; A312-Y326 HydrophobicContact CB-CD1 4.06Å; A312-Y326 HydrophobicContact CB-CD2 4.35Å; A312-Y326 HydrophobicContact CB-CE1 3.63Å; A312-Y326 HydrophobicContact CB-CE2 3.94Å; A312-Y326 HydrophobicContact CB-CG 4.43Å |
| 313 | M | 91.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121 | 175.5 | -178.5 | -171.7 | 61.6 | 0 | 0 | 109.7 | I265 I273 L293 I301 T315 V324 S325 F327 P334 | I265-M313 HydrophobicContact CD1-CG 4.48Å; I265-M313 HydrophobicContact CD1-SD 3.93Å; I265-M313 HydrophobicContact CG2-SD 3.73Å; I273-M313 HydrophobicContact CD1-CE 4.32Å; I273-M313 HydrophobicContact CG2-SD 4.38Å; L293-M313 HydrophobicContact CD2-CE 4.07Å; I301-M313 HydrophobicContact CG2-CG 3.83Å; I301-M313 HydrophobicContact CG2-SD 3.92Å; M313-T315 HydrophobicContact CE-CG2 3.68Å; M313-T315 HydrophobicContact CG-CG2 3.77Å; M313-T315 HydrophobicContact SD-CG2 3.8Å; M313-V324 CarbonylContact O-C 3.58Å; M313-V324 WeakPolarHBondContact O-CA 3.25Å; M313-S325 PolarHBondContact N-O 3.16Å; M313-S325 PolarHBondContact O-N 3.29Å; M313-F327 HydrophobicContact CB-CE2 3.89Å; M313-F327 HydrophobicContact CE-CE2 4.5Å; M313-F327 HydrophobicContact CE-CZ 4.09Å; M313-F327 HydrophobicContact SD-CE2 4.2Å; M313-F327 HydrophobicContact SD-CZ 3.89Å; M313-P334 HydrophobicContact CE-CB 3.92Å; M313-P334 HydrophobicContact CE-CG 4.3Å |
| 314 | V | 94.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.9 | 173.2 | -169.1 | 0 | 0 | 0 | 0 | 108.4 | F20 L46 I301 Y302 I304 I322 K323 V324 | F20-V314 HydrophobicContact CE1-CG1 4.08Å; F20-V314 HydrophobicContact CE2-CG1 4.27Å; F20-V314 HydrophobicContact CZ-CB 3.97Å; F20-V314 HydrophobicContact CZ-CG1 3.59Å; L46-V314 HydrophobicContact CD1-CG2 3.85Å; L46-V314 HydrophobicContact CD2-CG1 4.09Å; L46-V314 HydrophobicContact CD2-CG2 3.76Å; L46-V314 HydrophobicContact CG-CG2 4.43Å; I301-V314 WeakPolarHBondContact CA-O 3.49Å; Y302-V314 PolarHBondContact N-O 3.03Å; Y302-V314 PolarHBondContact O-N 3.37Å; I304-V314 HydrophobicContact CD1-CG2 4.05Å; I304-V314 HydrophobicContact CG1-CG2 4.09Å; V314-I322 HydrophobicContact CG1-CD1 4.01Å; V314-I322 HydrophobicContact CG1-CG1 4.11Å; V314-K323 CarbonylContact C-O 3.58Å; V314-K323 WeakPolarHBondContact CA-O 3.21Å; V314-V324 HydrophobicContact CG1-CG2 4.37Å; V314-V324 HydrophobicContact CG2-CG2 4.15Å |
| 315 | T | 95 | Very high | 85.6 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138.9 | -175.4 | 51 | 0 | 0 | 0 | 0 | 110.1 | I273 L293 H294 T300 I301 M313 I322 K323 | I273-T315 HydrophobicContact CD1-CG2 3.65Å; L293-T315 HydrophobicContact CD2-CG2 4.03Å; H294-T315 WeakPolarHBondContact NE2-CB 3.32Å; H294-T315 PolarHBondContact NE2-OG1 3.39Å; T300-T315 WeakPolarHBondContact O-CA 2.9Å; I301-T315 HydrophobicContact CG1-CG2 4.2Å; M313-T315 HydrophobicContact CE-CG2 3.68Å; M313-T315 HydrophobicContact CG-CG2 3.77Å; M313-T315 HydrophobicContact SD-CG2 3.8Å; T315-I322 CarbonylContact O-C 3.52Å; T315-I322 VanDerWaalsContact O-CA 3.31Å; T315-I322 WeakPolarHBondContact O-CA 3.46Å; T315-K323 PolarHBondContact N-O 3.24Å; T315-K323 PolarHBondContact O-N 3.14Å; T315-K323 PolarHBondContact OG1-O 2.99Å |
| 316 | S | 94.9 | Very high | 86.1 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 151.5 | 170.9 | 75.8 | 0 | 0 | 0 | 0 | 110.9 | H294 I299 T300 C321 | H294-S316 VanDerWaalsContact CE1-C 3.47Å; I299-S316 PolarHBondContact N-O 2.82Å; T300-S316 PolarHBondContact O-N 3.02Å; T300-S316 VanDerWaalsContact O-N 3.13Å; T300-S316 PolarHBondContact OG1-OG 3.28Å; S316-C321 WeakPolarHBondContact CA-O 3.49Å |
| 317 | G | 92.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 167.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S15 H294 S297 I299 D319 N320 C321 | S15-G317 PolarHBondContact OG-O 2.94Å; H294-G317 PolarHBondContact CE1-N 3.43Å; H294-G317 VanDerWaalsContact CE1-N 3.3Å; H294-G317 WeakPolarHBondContact ND1-CA 3.47Å; H294-G317 PolarHBondContact ND1-N 3.01Å; S297-G317 WeakPolarHBondContact O-CA 3.48Å; I299-G317 VanDerWaalsContact CD1-C 3.43Å; G317-D319 PolarHBondContact O-N 3.19Å; G317-N320 PolarHBondContact O-N 2.79Å; G317-C321 PolarHBondContact N-O 2.92Å; G317-C321 VanDerWaalsContact N-O 3.16Å |
| 318 | T | 92.2 | Very high | 87.3 | Confident | 63 Ų | 63 | 21.9 Ų | 21.9 | 39% | 0.387 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.1 | 179.9 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | D17 G296 S297 I299 N320 | D17-T318 HydrophobicContact CB-CG2 4.28Å; G296-T318 WeakPolarHBondContact CA-OG1 3.24Å; S297-T318 PolarHBondContact N-OG1 3.23Å; S297-T318 VanDerWaalsContact N-OG1 3.14Å; S297-T318 PolarHBondContact O-N 2.78Å; S297-T318 VanDerWaalsContact O-N 3.07Å; I299-T318 HydrophobicContact CD1-CG2 3.78Å; I299-T318 HydrophobicContact CG1-CG2 3.9Å; T318-N320 PolarHBondContact O-N 2.82Å |
| 319 | D | 90.6 | Very high | 88 | Confident | 12 Ų | 12 | 19.8 Ų | 19.8 | 6% | 0.064 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 20.2 | 175.3 | 63.4 | -24.7 | 0 | 0 | 0 | 113.8 | H294 W295 G317 C321 K323 | H294-D319 WeakPolarHBondContact CA-OD2 3.31Å; H294-D319 IonicContact CE1-OD1 3.67Å; H294-D319 IonicContact CG-OD1 3.62Å; H294-D319 IonicContact ND1-OD1 2.69Å; H294-D319 PolarHBondContact ND1-OD1 3.06Å; H294-D319 IonicContact ND1-OD2 2.79Å; W295-D319 HydrophobicContact CB-CB 3.93Å; W295-D319 PolarHBondContact N-OD2 3.13Å; G317-D319 PolarHBondContact O-N 3.19Å; D319-C321 VanDerWaalsContact C-N 3.34Å; D319-C321 PolarHBondContact O-N 2.86Å; D319-C321 PolarHBondContact OD1-SG 3.18Å; D319-C321 PolarHBondContact OD2-SG 2.86Å; D319-K323 IonicContact OD2-NZ 2.79Å |
| 320 | N | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 47.8 | 179.5 | -172.9 | 16.4 | 0 | 0 | 0 | 112 | G12 C14 S15 G317 T318 G342 H343 L665 | G12-N320 PolarHBondContact O-ND2 2.75Å; C14-N320 WeakPolarHBondContact CA-OD1 3.33Å; C14-N320 PolarHBondContact N-OD1 3.06Å; S15-N320 PolarHBondContact N-OD1 2.75Å; S15-N320 VanDerWaalsContact N-OD1 3.13Å; S15-N320 PolarHBondContact O-OD1 3.39Å; S15-N320 VanDerWaalsContact OG-C 3.29Å; S15-N320 VanDerWaalsContact OG-CA 3.24Å; S15-N320 WeakPolarHBondContact OG-CA 3.38Å; G317-N320 PolarHBondContact O-N 2.79Å; T318-N320 PolarHBondContact O-N 2.82Å; N320-G342 WeakPolarHBondContact ND2-CA 3.4Å; N320-G342 PolarHBondContact O-N 3.11Å; N320-H343 WeakPolarHBondContact CB-O 3.46Å; N320-H343 PolarHBondContact ND2-O 2.62Å; N320-L665 HydrophobicContact CB-CD1 3.93Å |
| 321 | C | 93.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 149.6 | 176.1 | 83.3 | 0 | 0 | 0 | 0 | 115.1 | S15 H294 S316 G317 D319 K323 R340 I341 | S15-C321 PolarHBondContact OG-N 3.11Å; S15-C321 PolarHBondContact OG-O 3.4Å; H294-C321 PolarHBondContact CE1-O 3.15Å; H294-C321 PolarHBondContact CE1-SG 2.86Å; H294-C321 PolarHBondContact ND1-SG 3.07Å; S316-C321 WeakPolarHBondContact CA-O 3.49Å; G317-C321 PolarHBondContact N-O 2.92Å; G317-C321 VanDerWaalsContact N-O 3.16Å; D319-C321 VanDerWaalsContact C-N 3.34Å; D319-C321 PolarHBondContact O-N 2.86Å; D319-C321 PolarHBondContact OD1-SG 3.18Å; D319-C321 PolarHBondContact OD2-SG 2.86Å; C321-K323 VanDerWaalsContact SG-CE 3.53Å; C321-K323 PolarHBondContact SG-NZ 3.02Å; C321-R340 VanDerWaalsContact CA-O 3.27Å; C321-R340 WeakPolarHBondContact CA-O 3.43Å; C321-R340 WeakPolarHBondContact CB-O 3.27Å; C321-I341 HydrophobicContact CB-CB 4.13Å; C321-I341 HydrophobicContact CB-CG1 3.97Å; C321-I341 HydrophobicContact CB-CG2 3.86Å |
| 322 | I | 94.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133.6 | 172.3 | -178.2 | 166.2 | 0 | 0 | 0 | 109.2 | F20 A33 V35 L49 V314 T315 R339 R340 | F20-I322 HydrophobicContact CD1-CD1 4.36Å; F20-I322 HydrophobicContact CE1-CD1 4.32Å; A33-I322 HydrophobicContact CB-CD1 4.43Å; V35-I322 HydrophobicContact CG2-CD1 3.62Å; L49-I322 HydrophobicContact CD1-CG1 4.42Å; L49-I322 HydrophobicContact CD1-CG2 4.2Å; L49-I322 HydrophobicContact CD2-CD1 3.88Å; L49-I322 HydrophobicContact CD2-CG1 4Å; L49-I322 HydrophobicContact CD2-CG2 4.38Å; V314-I322 HydrophobicContact CG1-CD1 4.01Å; V314-I322 HydrophobicContact CG1-CG1 4.11Å; T315-I322 CarbonylContact O-C 3.52Å; T315-I322 VanDerWaalsContact O-CA 3.31Å; T315-I322 WeakPolarHBondContact O-CA 3.46Å; I322-R339 CarbonylContact O-C 3.51Å; I322-R339 VanDerWaalsContact O-CA 3.31Å; I322-R339 WeakPolarHBondContact O-CA 2.92Å; I322-R340 HydrophobicContact CG2-CB 3.71Å; I322-R340 HydrophobicContact CG2-CG 4.34Å; I322-R340 PolarHBondContact N-O 3.21Å; I322-R340 PolarHBondContact O-N 3.14Å |
| 323 | K | 94.7 | Very high | 87.9 | Confident | 14 Ų | 14 | 29.2 Ų | 29.2 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.4 | -172.4 | -71.2 | 168.2 | -173.4 | 140.2 | 0 | 110.4 | L293 V314 T315 D319 C321 T336 Y338 R339 | L293-K323 HydrophobicContact CD1-CD 4.3Å; L293-K323 HydrophobicContact CG-CD 4.19Å; L293-K323 PolarHBondContact O-NZ 2.8Å; V314-K323 CarbonylContact C-O 3.58Å; V314-K323 WeakPolarHBondContact CA-O 3.21Å; T315-K323 PolarHBondContact N-O 3.24Å; T315-K323 PolarHBondContact O-N 3.14Å; T315-K323 PolarHBondContact OG1-O 2.99Å; D319-K323 IonicContact OD2-NZ 2.79Å; C321-K323 VanDerWaalsContact SG-CE 3.53Å; C321-K323 PolarHBondContact SG-NZ 3.02Å; K323-T336 HydrophobicContact CB-CG2 3.9Å; K323-T336 HydrophobicContact CD-CG2 4.34Å; K323-T336 HydrophobicContact CG-CG2 3.98Å; K323-Y338 WeakPolarHBondContact CA-O 3.22Å; K323-R339 HydrophobicContact CG-CB 3.88Å |
| 324 | V | 94.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.5 | 169.2 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | L46 P47 L49 A312 M313 V314 Y326 I337 Y338 | L46-V324 HydrophobicContact CD2-CG2 4.07Å; P47-V324 HydrophobicContact CB-CG1 4.31Å; P47-V324 WeakPolarHBondContact O-CG2 3.34Å; L49-V324 HydrophobicContact CD1-CG2 3.85Å; L49-V324 HydrophobicContact CD2-CG2 3.97Å; L49-V324 HydrophobicContact CG-CG2 3.72Å; A312-V324 HydrophobicContact CB-CG1 3.8Å; M313-V324 CarbonylContact O-C 3.58Å; M313-V324 WeakPolarHBondContact O-CA 3.25Å; V314-V324 HydrophobicContact CG1-CG2 4.37Å; V314-V324 HydrophobicContact CG2-CG2 4.15Å; V324-Y326 HydrophobicContact CG1-CE2 4Å; V324-I337 PolarHBondContact O-N 2.85Å; V324-Y338 HydrophobicContact CB-CD2 4.41Å; V324-Y338 PolarHBondContact N-O 3.4Å; V324-Y338 PolarHBondContact O-N 3.07Å |
| 325 | S | 92 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145 | -176.2 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | M313 R335 T336 | M313-S325 PolarHBondContact N-O 3.16Å; M313-S325 PolarHBondContact O-N 3.29Å; S325-R335 CarbonylContact C-O 3.58Å; S325-R335 WeakPolarHBondContact CA-O 3.32Å; S325-T336 WeakPolarHBondContact OG-CA 3.36Å; S325-T336 PolarHBondContact OG-OG1 2.87Å; S325-T336 VanDerWaalsContact OG-OG1 3.06Å |
| 326 | Y | 89.4 | Confident | 87.1 | Confident | 44 Ų | 44 | 37.5 Ų | 37.5 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 150.5 | 177.6 | -69.5 | -103.3 | 0 | 0 | 0 | 109.5 | P47 A312 V324 R335 I337 | P47-Y326 WeakPolarHBondContact CB-OH 3.1Å; A312-Y326 HydrophobicContact CB-CD1 4.06Å; A312-Y326 HydrophobicContact CB-CD2 4.35Å; A312-Y326 HydrophobicContact CB-CE1 3.63Å; A312-Y326 HydrophobicContact CB-CE2 3.94Å; A312-Y326 HydrophobicContact CB-CG 4.43Å; V324-Y326 HydrophobicContact CG1-CE2 4Å; Y326-R335 PolarHBondContact N-O 3.19Å; Y326-R335 PolarHBondContact O-N 3.38Å; Y326-I337 HydrophobicContact CD2-CB 4.14Å; Y326-I337 HydrophobicContact CD2-CD1 3.21Å; Y326-I337 HydrophobicContact CD2-CG1 3.62Å; Y326-I337 HydrophobicContact CE2-CB 4.2Å; Y326-I337 HydrophobicContact CE2-CD1 3.59Å; Y326-I337 HydrophobicContact CE2-CG1 4.11Å; Y326-I337 HydrophobicContact CG-CD1 3.87Å |
| 327 | F | 82.3 | Confident | 86.9 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | trans | -103.3 | 70.3 | 178.3 | -65.5 | -87.9 | 0 | 0 | 0 | 109.6 | R234 I265 C275 M313 P334 | R234-F327 VanDerWaalsContact NH1-CG 3.28Å; I265-F327 HydrophobicContact CD1-CE2 3.76Å; I265-F327 HydrophobicContact CD1-CZ 3.63Å; I265-F327 HydrophobicContact CG1-CZ 4.41Å; C275-F327 HydrophobicContact CB-CE1 4.22Å; M313-F327 HydrophobicContact CB-CE2 3.89Å; M313-F327 HydrophobicContact CE-CE2 4.5Å; M313-F327 HydrophobicContact CE-CZ 4.09Å; M313-F327 HydrophobicContact SD-CE2 4.2Å; M313-F327 HydrophobicContact SD-CZ 3.89Å; F327-P334 HydrophobicContact CD1-CB 4.22Å; F327-P334 HydrophobicContact CE1-CB 3.83Å; F327-P334 HydrophobicContact CE1-CG 4.23Å; F327-P334 HydrophobicContact CZ-CB 4.16Å | ||
| 328 | D | 79.7 | Confident | 86.8 | Confident | 76 Ų | 76 | 44.8 Ų | 44.8 | 41% | 0.406 | 23% | 0.23 | S | C | . | . | trans | -106.6 | -8.5 | -177.3 | 50.7 | 25.3 | 0 | 0 | 0 | 113.5 | R335 | D328-R335 VanDerWaalsContact CG-NE 3.27Å; D328-R335 WeakPolarHBondContact OD1-CB 3.49Å; D328-R335 IonicContact OD1-CZ 3.09Å; D328-R335 IonicContact OD1-NE 3.32Å; D328-R335 PolarHBondContact OD1-NE 3.38Å; D328-R335 IonicContact OD2-CZ 3.12Å; D328-R335 IonicContact OD2-NE 2.96Å; D328-R335 PolarHBondContact OD2-NE 3.38Å; D328-R335 IonicContact OD2-NH2 2.95Å; D328-R335 PolarHBondContact OD2-NH2 2.84Å | ||
| 329 | R | 78.9 | Confident | 86.9 | Confident | 116 Ų | 116 | 49.1 Ų | 49.1 | 44% | 0.438 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -78.8 | 145.1 | 177.4 | -65 | 178.6 | 174.4 | 144.4 | 4.9 | 111 | D331 G332 S333 P334 R335 | R329-D331 WeakPolarHBondContact CB-OD1 3.19Å; R329-D331 PolarHBondContact O-N 3.32Å; R329-G332 PolarHBondContact O-N 2.98Å; R329-G332 VanDerWaalsContact O-N 3.07Å; R329-S333 WeakPolarHBondContact CD-OG 2.88Å; R329-S333 PolarHBondContact NH1-OG 2.88Å; R329-P334 PolarHBondContact NH1-O 3.03Å; R329-R335 HydrophobicContact CG-CB 4.45Å |
| 330 | S | 77.2 | Confident | 86.9 | Confident | 136 Ų | 136 | 50.9 Ų | 50.9 | 95% | 0.951 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | G332 | S330-G332 PolarHBondContact O-N 3.23Š|
| 331 | D | 74 | Confident | 86.9 | Confident | 94 Ų | 94 | 53.2 Ų | 53.2 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -4.6 | 175.7 | 70.3 | -9.8 | 0 | 0 | 0 | 113.2 | R329 S333 | R329-D331 WeakPolarHBondContact CB-OD1 3.19Å; R329-D331 PolarHBondContact O-N 3.32Å; D331-S333 PolarHBondContact O-N 3.23Å; D331-S333 WeakPolarHBondContact OD1-CB 3.26Å; D331-S333 PolarHBondContact OD1-N 2.79Å; D331-S333 PolarHBondContact OD1-OG 3.04Å; D331-S333 WeakPolarHBondContact OD2-CB 3.44Å; D331-S333 PolarHBondContact OD2-OG 3.29Å |
| 332 | G | 73.1 | Confident | 86.8 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | trans | 74.2 | 4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R329 S330 | R329-G332 PolarHBondContact O-N 2.98Å; R329-G332 VanDerWaalsContact O-N 3.07Å; S330-G332 PolarHBondContact O-N 3.23Å | ||
| 333 | S | 79 | Confident | 86.7 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | trans | -79.3 | 142 | 179.5 | 74.6 | 0 | 0 | 0 | 0 | 111.6 | R329 D331 R335 | R329-S333 WeakPolarHBondContact CD-OG 2.88Å; R329-S333 PolarHBondContact NH1-OG 2.88Å; D331-S333 PolarHBondContact O-N 3.23Å; D331-S333 WeakPolarHBondContact OD1-CB 3.26Å; D331-S333 PolarHBondContact OD1-N 2.79Å; D331-S333 PolarHBondContact OD1-OG 3.04Å; D331-S333 WeakPolarHBondContact OD2-CB 3.44Å; D331-S333 PolarHBondContact OD2-OG 3.29Å; S333-R335 PolarHBondContact O-N 2.97Å | ||
| 334 | P | 86.2 | Confident | 86.5 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | trans | -67.9 | 129.6 | 177.8 | 26 | -32.2 | 0 | 0 | 0 | 111.3 | A290 M313 F327 R329 | A290-P334 HydrophobicContact CB-CG 3.72Å; M313-P334 HydrophobicContact CE-CB 3.92Å; M313-P334 HydrophobicContact CE-CG 4.3Å; F327-P334 HydrophobicContact CD1-CB 4.22Å; F327-P334 HydrophobicContact CE1-CB 3.83Å; F327-P334 HydrophobicContact CE1-CG 4.23Å; F327-P334 HydrophobicContact CZ-CB 4.16Å; R329-P334 PolarHBondContact NH1-O 3.03Å | ||
| 335 | R | 87.2 | Confident | 86.4 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 109.9 | 170.5 | -177.9 | 170.3 | 73.8 | 147.5 | 2.4 | 109.8 | S325 Y326 D328 R329 S333 I337 | S325-R335 CarbonylContact C-O 3.58Å; S325-R335 WeakPolarHBondContact CA-O 3.32Å; Y326-R335 PolarHBondContact N-O 3.19Å; Y326-R335 PolarHBondContact O-N 3.38Å; D328-R335 VanDerWaalsContact CG-NE 3.27Å; D328-R335 WeakPolarHBondContact OD1-CB 3.49Å; D328-R335 IonicContact OD1-CZ 3.09Å; D328-R335 IonicContact OD1-NE 3.32Å; D328-R335 PolarHBondContact OD1-NE 3.38Å; D328-R335 IonicContact OD2-CZ 3.12Å; D328-R335 IonicContact OD2-NE 2.96Å; D328-R335 PolarHBondContact OD2-NE 3.38Å; D328-R335 IonicContact OD2-NH2 2.95Å; D328-R335 PolarHBondContact OD2-NH2 2.84Å; R329-R335 HydrophobicContact CG-CB 4.45Å; S333-R335 PolarHBondContact O-N 2.97Å; R335-I337 PolarHBondContact O-N 3.45Å |
| 336 | T | 90 | Very high | 86.4 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 30% | 0.301 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 122.7 | 174.4 | -49.5 | 0 | 0 | 0 | 0 | 111.1 | L293 K323 S325 R339 | L293-T336 VanDerWaalsContact CD1-OG1 3.26Å; L293-T336 WeakPolarHBondContact CD1-OG1 3.15Å; K323-T336 HydrophobicContact CB-CG2 3.9Å; K323-T336 HydrophobicContact CD-CG2 4.34Å; K323-T336 HydrophobicContact CG-CG2 3.98Å; S325-T336 WeakPolarHBondContact OG-CA 3.36Å; S325-T336 PolarHBondContact OG-OG1 2.87Å; S325-T336 VanDerWaalsContact OG-OG1 3.06Å; T336-R339 HydrophobicContact CG2-CB 4.26Å |
| 337 | I | 89.9 | Confident | 86.6 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -56.9 | 177.7 | -60.5 | -170.4 | 0 | 0 | 0 | 110 | V324 Y326 R335 | V324-I337 PolarHBondContact O-N 2.85Å; Y326-I337 HydrophobicContact CD2-CB 4.14Å; Y326-I337 HydrophobicContact CD2-CD1 3.21Å; Y326-I337 HydrophobicContact CD2-CG1 3.62Å; Y326-I337 HydrophobicContact CE2-CB 4.2Å; Y326-I337 HydrophobicContact CE2-CD1 3.59Å; Y326-I337 HydrophobicContact CE2-CG1 4.11Å; Y326-I337 HydrophobicContact CG-CD1 3.87Å; R335-I337 PolarHBondContact O-N 3.45Å |
| 338 | Y | 92.4 | Very high | 87 | Confident | 81 Ų | 81 | 59.2 Ų | 59.2 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 142.5 | 179.2 | -55.7 | -74.1 | 0 | 0 | 0 | 110.3 | P47 R48 K323 V324 | P47-Y338 HydrophobicContact CB-CD2 4.49Å; P47-Y338 HydrophobicContact CB-CE2 4.42Å; P47-Y338 WeakPolarHBondContact O-CD2 3.22Å; R48-Y338 HydrophobicContact CB-CE1 4.43Å; R48-Y338 HydrophobicContact CG-CE1 4.22Å; R48-Y338 HydrophobicContact CG-CE2 4.39Å; K323-Y338 WeakPolarHBondContact CA-O 3.22Å; V324-Y338 HydrophobicContact CB-CD2 4.41Å; V324-Y338 PolarHBondContact N-O 3.4Å; V324-Y338 PolarHBondContact O-N 3.07Å |
| 339 | R | 92.3 | Very high | 87.7 | Confident | 155 Ų | 155 | 58.9 Ų | 58.9 | 59% | 0.585 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 139 | 177.8 | 64.6 | -163 | -175.7 | 161.2 | -0.5 | 110.7 | I322 K323 T336 I341 | I322-R339 CarbonylContact O-C 3.51Å; I322-R339 VanDerWaalsContact O-CA 3.31Å; I322-R339 WeakPolarHBondContact O-CA 2.92Å; K323-R339 HydrophobicContact CG-CB 3.88Å; T336-R339 HydrophobicContact CG2-CB 4.26Å; R339-I341 HydrophobicContact CB-CD1 4.31Å; R339-I341 HydrophobicContact CB-CG1 4.19Å; R339-I341 HydrophobicContact CG-CD1 4.07Å; R339-I341 HydrophobicContact CG-CG1 4.22Å |
| 340 | R | 92.3 | Very high | 88.5 | Confident | 48 Ų | 48 | 54 Ų | 54 | 18% | 0.181 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.1 | 164.3 | -61.5 | -67.5 | -179.6 | -168.6 | -2.9 | 107.3 | C14 Y44 L49 C321 I322 E380 | C14-R340 HydrophobicContact CB-CB 4.35Å; Y44-R340 HydrophobicContact CE1-CG 4.3Å; L49-R340 HydrophobicContact CB-CG 3.94Å; L49-R340 HydrophobicContact CD1-CG 4.25Å; L49-R340 PolarHBondContact O-NE 3.42Å; L49-R340 PolarHBondContact O-NH2 2.79Å; C321-R340 VanDerWaalsContact CA-O 3.27Å; C321-R340 WeakPolarHBondContact CA-O 3.43Å; C321-R340 WeakPolarHBondContact CB-O 3.27Å; I322-R340 HydrophobicContact CG2-CB 3.71Å; I322-R340 HydrophobicContact CG2-CG 4.34Å; I322-R340 PolarHBondContact N-O 3.21Å; I322-R340 PolarHBondContact O-N 3.14Å; R340-E380 PolarHBondContact NH1-O 3.48Å |
| 341 | I | 92.2 | Very high | 89.3 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 25% | 0.251 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 125.2 | -172 | -46.1 | -175.7 | 0 | 0 | 0 | 107.3 | C321 R339 R373 | C321-I341 HydrophobicContact CB-CB 4.13Å; C321-I341 HydrophobicContact CB-CG1 3.97Å; C321-I341 HydrophobicContact CB-CG2 3.86Å; R339-I341 HydrophobicContact CB-CD1 4.31Å; R339-I341 HydrophobicContact CB-CG1 4.19Å; R339-I341 HydrophobicContact CG-CD1 4.07Å; R339-I341 HydrophobicContact CG-CG1 4.22Å; I341-R373 PolarHBondContact O-NH1 3.36Å |
| 342 | G | 91.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -95.5 | -168.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G12 N320 R373 | G12-G342 WeakPolarHBondContact O-CA 3.11Å; N320-G342 WeakPolarHBondContact ND2-CA 3.4Å; N320-G342 PolarHBondContact O-N 3.11Å; G342-R373 PolarHBondContact O-NE 3.03Å; G342-R373 PolarHBondContact O-NH1 2.87Å; G342-R373 PolarHBondContact O-NH2 3.04Å | ||
| 343 | H | 92.5 | Very high | 91 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | trans | -70.1 | 138.5 | 168 | -76.7 | -62.8 | 0 | 0 | 0 | 110.2 | N320 R345 S365 G367 D369 V371 F375 | N320-H343 WeakPolarHBondContact CB-O 3.46Å; N320-H343 PolarHBondContact ND2-O 2.62Å; H343-R345 WeakPolarHBondContact CB-O 3.4Å; H343-S365 WeakPolarHBondContact NE2-CB 2.98Å; H343-S365 PolarHBondContact NE2-OG 3.03Å; H343-G367 PolarHBondContact CE1-N 3.03Å; H343-G367 VanDerWaalsContact CE1-N 3.26Å; H343-D369 IonicContact ND1-OD1 3.62Å; H343-D369 IonicContact ND1-OD2 2.79Å; H343-V371 PolarHBondContact CE1-O 2.99Å; H343-F375 AromaticContact CD2-CE2 3.83Å; H343-F375 AromaticContact NE2-CE2 3.82Å | ||
| 344 | S | 90.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -85.9 | -19.6 | 178 | 62.7 | 0 | 0 | 0 | 0 | 112.4 | D369 | S344-D369 PolarHBondContact N-OD2 3.14Å; S344-D369 WeakPolarHBondContact OG-CB 3.4Å; S344-D369 PolarHBondContact OG-OD2 2.72Å |
| 345 | R | 91.2 | Very high | 90.7 | Very high | 152 Ų | 152 | 47.6 Ų | 47.6 | 57% | 0.574 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -131.4 | 156.6 | 172.8 | -66.6 | -178.1 | 173.2 | 177.3 | -3.8 | 109.5 | H343 K368 D369 | H343-R345 WeakPolarHBondContact CB-O 3.4Å; R345-K368 HydrophobicContact CB-CB 3.93Å; R345-D369 HydrophobicContact CB-CB 4.13Å; R345-D369 HydrophobicContact CG-CB 4.19Å |
| 346 | P | 92.5 | Very high | 89.7 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | trans | -52.5 | 134.9 | -175.9 | -30 | 35.9 | 0 | 0 | 0 | 113.4 | K368 C664 L665 | P346-K368 WeakPolarHBondContact O-CG 3.39Å; P346-K368 PolarHBondContact O-N 2.99Å; P346-K368 VanDerWaalsContact O-N 3.14Å; P346-C664 VanDerWaalsContact CA-O 3.25Å; P346-C664 WeakPolarHBondContact CA-O 3.24Å; P346-C664 WeakPolarHBondContact CB-O 3.17Å; P346-L665 HydrophobicContact CG-CD2 4.37Å | ||
| 347 | P | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 140.6 | 172.1 | 27.9 | -31.4 | 0 | 0 | 0 | 111.2 | A366 T646 T660 C664 I667 | P347-A366 CarbonylContact C-O 3.57Å; P347-A366 WeakPolarHBondContact CA-O 3.27Å; P347-T646 PolarHBondContact O-OG1 3.44Å; P347-T660 HydrophobicContact CB-CG2 4.02Å; P347-T660 HydrophobicContact CG-CG2 3.67Å; P347-C664 WeakPolarHBondContact CD-O 3.18Å; P347-I667 HydrophobicContact CG-CG1 4Å |
| 348 | N | 91.8 | Very high | 86.7 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -22.9 | -176.9 | 66.2 | -16.1 | 0 | 0 | 0 | 113.3 | A366 K368 V413 | N348-A366 PolarHBondContact N-O 2.64Å; N348-A366 PolarHBondContact OD1-O 3.35Å; N348-K368 HydrophobicContact CB-CG 4.24Å; N348-V413 VanDerWaalsContact CG-O 3.32Å; N348-V413 PolarHBondContact ND2-O 3.33Å; N348-V413 PolarHBondContact OD1-O 2.89Å |
| 349 | R | 94.3 | Very high | 85 | Confident | 69 Ų | 69 | 44 Ų | 44 | 26% | 0.26 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138.4 | 178.8 | -66.8 | -64.7 | 178.8 | -111.7 | 8.9 | 110.8 | S365 A366 V414 M416 T646 | R349-S365 WeakPolarHBondContact O-CA 3.5Å; R349-A366 HydrophobicContact CB-CB 4.41Å; R349-A366 PolarHBondContact O-N 3.42Å; R349-V414 WeakPolarHBondContact CD-O 3.47Å; R349-V414 WeakPolarHBondContact CG-O 3.35Å; R349-V414 PolarHBondContact NE-O 2.75Å; R349-M416 HydrophobicContact CB-CE 3.7Å; R349-M416 VanDerWaalsContact O-CE 3.3Å; R349-M416 WeakPolarHBondContact O-CE 3.21Å; R349-T646 PolarHBondContact NH1-O 3.31Å |
| 350 | I | 95 | Very high | 83.8 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.062 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 153.7 | 176 | 51.5 | 164.6 | 0 | 0 | 0 | 110.5 | L363 L364 S647 A649 C658 T660 I667 | I350-L363 HydrophobicContact CB-CD1 4.4Å; I350-L363 HydrophobicContact CB-CD2 4.32Å; I350-L363 HydrophobicContact CG2-CD2 4.04Å; I350-L364 CarbonylContact C-O 3.47Å; I350-L364 VanDerWaalsContact CA-O 3.32Å; I350-L364 WeakPolarHBondContact CA-O 3.41Å; I350-S647 WeakPolarHBondContact CG1-OG 3.2Å; I350-S647 PolarHBondContact N-OG 2.89Å; I350-A649 HydrophobicContact CD1-CB 3.94Å; I350-A649 HydrophobicContact CG1-CB 4.12Å; I350-C658 HydrophobicContact CD1-CB 3.41Å; I350-C658 VanDerWaalsContact CD1-CB 3.41Å; I350-T660 HydrophobicContact CD1-CG2 4.28Å; I350-T660 HydrophobicContact CG1-CG2 4.4Å; I350-T660 HydrophobicContact CG2-CG2 3.51Å; I350-I667 HydrophobicContact CG2-CD1 4.26Å; I350-I667 HydrophobicContact CG2-CG2 4.29Å |
| 351 | L | 93.8 | Very high | 83.3 | Confident | 47 Ų | 47 | 34.6 Ų | 34.6 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 129.3 | 178.9 | 177.4 | 68 | 0 | 0 | 0 | 109.8 | L364 A418 | L351-L364 HydrophobicContact CB-CB 4.49Å; L351-L364 PolarHBondContact N-O 2.9Å; L351-L364 WeakPolarHBondContact O-CB 3.36Å; L351-L364 PolarHBondContact O-N 2.81Å; L351-A418 HydrophobicContact CD2-CB 3.48Å; L351-A418 VanDerWaalsContact CD2-CB 3.48Å |
| 352 | F | 92.8 | Very high | 83.3 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 136.1 | 171.2 | -84.1 | -79.5 | 0 | 0 | 0 | 111.8 | P354 L363 T377 A649 L650 R652 F656 C658 | F352-P354 WeakPolarHBondContact O-CD 3.47Å; F352-L363 HydrophobicContact CD1-CB 4.43Å; F352-L363 HydrophobicContact CE1-CB 4.5Å; F352-L363 HydrophobicContact CE1-CD1 4.3Å; F352-L363 HydrophobicContact CE2-CD1 4.32Å; F352-L363 HydrophobicContact CZ-CD1 4.22Å; F352-T377 HydrophobicContact CE1-CG2 4.16Å; F352-A649 HydrophobicContact CD2-CB 3.85Å; F352-A649 HydrophobicContact CE2-CB 4.23Å; F352-A649 WeakPolarHBondContact CE2-O 3.43Å; F352-L650 WeakPolarHBondContact CD2-O 3.33Å; F352-L650 VanDerWaalsContact CE2-C 3.45Å; F352-R652 PolarHBondContact O-NH1 3.28Å; F352-F656 HydrophobicContact CZ-CB 4.1Å; F352-C658 HydrophobicContact CE2-CB 4.12Å; F352-C658 WeakPolarHBondContact CE2-SG 3.28Å; F352-C658 HydrophobicContact CZ-CB 4.46Å; F352-C658 WeakPolarHBondContact CZ-SG 3.42Å |
| 353 | W | 91.2 | Very high | 83.3 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | trans | -68.8 | 124.1 | 177.6 | 177.9 | -110.8 | 0 | 0 | 0 | 111 | G355 L362 A418 C419 A423 V429 F444 | W353-G355 VanDerWaalsContact C-N 3.29Å; W353-G355 VanDerWaalsContact CD1-N 3.28Å; W353-G355 PolarHBondContact O-N 2.96Å; W353-L362 HydrophobicContact CB-CB 3.99Å; W353-L362 WeakPolarHBondContact CB-O 3.23Å; W353-L362 PolarHBondContact N-O 3.38Å; W353-A418 HydrophobicContact CE3-CB 4.12Å; W353-A418 HydrophobicContact CZ3-CB 3.98Å; W353-C419 VanDerWaalsContact CH2-O 3.32Å; W353-C419 WeakPolarHBondContact CH2-O 3.49Å; W353-A423 HydrophobicContact CH2-CB 3.62Å; W353-A423 HydrophobicContact CZ2-CB 3.56Å; W353-V429 HydrophobicContact CZ3-CG2 3.98Å; W353-F444 HydrophobicContact CB-CE2 4.18Å; W353-F444 HydrophobicContact CB-CZ 3.91Å; W353-F444 AromaticContact CD1-CE1 3.86Å; W353-F444 AromaticContact CD1-CZ 3.92Å; W353-F444 AromaticContact CD2-CD1 3.78Å; W353-F444 HydrophobicContact CD2-CD1 3.78Å; W353-F444 AromaticContact CD2-CD2 3.9Å; W353-F444 HydrophobicContact CD2-CD2 3.9Å; W353-F444 AromaticContact CD2-CE1 3.55Å; W353-F444 HydrophobicContact CD2-CE1 3.55Å; W353-F444 AromaticContact CD2-CE2 3.67Å; W353-F444 HydrophobicContact CD2-CE2 3.67Å; W353-F444 AromaticContact CD2-CG 3.95Å; W353-F444 HydrophobicContact CD2-CG 3.95Å; W353-F444 AromaticContact CD2-CZ 3.48Å; W353-F444 HydrophobicContact CD2-CZ 3.48Å; W353-F444 VanDerWaalsContact CD2-CZ 3.48Å; W353-F444 AromaticContact CE2-CD1 3.53Å; W353-F444 AromaticContact CE2-CE1 3.49Å; W353-F444 VanDerWaalsContact CE2-CE1 3.49Å; W353-F444 AromaticContact CE2-CZ 3.96Å; W353-F444 HydrophobicContact CE3-CB 4.3Å; W353-F444 AromaticContact CE3-CD1 3.96Å; W353-F444 HydrophobicContact CE3-CD1 3.96Å; W353-F444 AromaticContact CE3-CD2 3.39Å; W353-F444 HydrophobicContact CE3-CD2 3.39Å; W353-F444 HydrophobicContact CE3-CE1 4.08Å; W353-F444 AromaticContact CE3-CE2 3.52Å; W353-F444 HydrophobicContact CE3-CE2 3.52Å; W353-F444 AromaticContact CE3-CG 3.62Å; W353-F444 HydrophobicContact CE3-CG 3.62Å; W353-F444 AromaticContact CE3-CZ 3.87Å; W353-F444 HydrophobicContact CE3-CZ 3.87Å; W353-F444 HydrophobicContact CG-CD1 4.5Å; W353-F444 AromaticContact CG-CE1 3.8Å; W353-F444 HydrophobicContact CG-CE1 3.8Å; W353-F444 AromaticContact CG-CE2 3.96Å; W353-F444 HydrophobicContact CG-CE2 3.96Å; W353-F444 AromaticContact CG-CZ 3.49Å; W353-F444 HydrophobicContact CG-CZ 3.49Å; W353-F444 VanDerWaalsContact CG-CZ 3.49Å; W353-F444 HydrophobicContact CH2-CB 3.51Å; W353-F444 AromaticContact CH2-CD1 3.72Å; W353-F444 HydrophobicContact CH2-CD1 3.72Å; W353-F444 HydrophobicContact CH2-CD2 4.18Å; W353-F444 HydrophobicContact CH2-CE1 4.47Å; W353-F444 AromaticContact CH2-CG 3.54Å; W353-F444 HydrophobicContact CH2-CG 3.54Å; W353-F444 HydrophobicContact CZ2-CB 4.18Å; W353-F444 AromaticContact CZ2-CD1 3.51Å; W353-F444 HydrophobicContact CZ2-CD1 3.51Å; W353-F444 AromaticContact CZ2-CE1 3.99Å; W353-F444 HydrophobicContact CZ2-CE1 3.99Å; W353-F444 AromaticContact CZ2-CG 3.86Å; W353-F444 HydrophobicContact CZ2-CG 3.86Å; W353-F444 HydrophobicContact CZ3-CB 3.58Å; W353-F444 AromaticContact CZ3-CD1 3.94Å; W353-F444 HydrophobicContact CZ3-CD1 3.94Å; W353-F444 AromaticContact CZ3-CD2 3.56Å; W353-F444 HydrophobicContact CZ3-CD2 3.56Å; W353-F444 HydrophobicContact CZ3-CE2 4.17Å; W353-F444 AromaticContact CZ3-CG 3.41Å; W353-F444 HydrophobicContact CZ3-CG 3.41Å; W353-F444 VanDerWaalsContact CZ3-CG 3.41Å; W353-F444 AromaticContact NE1-CE1 3.67Å | ||
| 354 | P | 84.1 | Confident | 83.4 | Confident | 25 Ų | 25 | 33.6 Ų | 33.6 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -23.4 | -178.2 | 17.4 | -28.3 | 0 | 0 | 0 | 116.3 | F352 R652 | F352-P354 WeakPolarHBondContact O-CD 3.47Å; P354-R652 VanDerWaalsContact CA-CZ 3.47Å |
| 355 | G | 73 | Confident | 83.6 | Confident | 40 Ų | 40 | 32 Ų | 32 | 41% | 0.412 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 13.6 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | W353 S420 | W353-G355 VanDerWaalsContact C-N 3.29Å; W353-G355 VanDerWaalsContact CD1-N 3.28Å; W353-G355 PolarHBondContact O-N 2.96Å; G355-S420 WeakPolarHBondContact CA-OG 3.45Å; G355-S420 VanDerWaalsContact N-CB 3.33Å |
| 356 | S | 67.1 | Low | 83.7 | Confident | 35 Ų | 35 | 24.8 Ų | 24.8 | 25% | 0.245 | 16% | 0.163 | C | C | . | . | trans | -81.6 | 138 | 177.9 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | A358 G359 | S356-A358 PolarHBondContact O-N 3.02Å; S356-G359 PolarHBondContact O-N 2.94Å | ||
| 357 | S | 56.3 | Low | 83.5 | Confident | 142 Ų | 142 | 23.8 Ų | 23.8 | 99% | 0.993 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -20.1 | -178.8 | -48.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 358 | A | 59.6 | Low | 83.3 | Confident | 52 Ų | 52 | 27.9 Ų | 27.9 | 43% | 0.43 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 15.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S356 G360 A653 | S356-A358 PolarHBondContact O-N 3.02Å; A358-G360 PolarHBondContact O-N 3.14Å; A358-A653 WeakPolarHBondContact O-CB 3.49Å |
| 359 | G | 58.5 | Low | 83 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 63.9 | -11.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | S356 R652 | S356-G359 PolarHBondContact O-N 2.94Å; G359-R652 WeakPolarHBondContact O-CB 3.44Å; G359-R652 PolarHBondContact O-N 3.29Å |
| 360 | G | 65.8 | Low | 82.6 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -139 | 7.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | A358 T377 | A358-G360 PolarHBondContact O-N 3.14Å; G360-T377 VanDerWaalsContact O-CG2 3.28Å; G360-T377 WeakPolarHBondContact O-CG2 3.39Å; G360-T377 PolarHBondContact O-OG1 3.18Å |
| 361 | G | 83.3 | Confident | 82.3 | Confident | 5 Ų | 5 | 24 Ų | 24 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -77.8 | -24.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | S376 T377 | G361-S376 VanDerWaalsContact O-CA 3.26Å; G361-S376 WeakPolarHBondContact O-CA 3.32Å; G361-S376 PolarHBondContact O-OG 2.83Å; G361-T377 WeakPolarHBondContact CA-OG1 3.33Å; G361-T377 PolarHBondContact O-N 3.21Å; G361-T377 VanDerWaalsContact O-N 3.14Å; G361-T377 PolarHBondContact O-OG1 2.79Å |
| 362 | L | 91.1 | Very high | 82.3 | Confident | 28 Ų | 28 | 21.8 Ų | 21.8 | 15% | 0.147 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 137.4 | -176 | -63.7 | 174.5 | 0 | 0 | 0 | 110.9 | W353 I374 F375 M382 F444 | W353-L362 HydrophobicContact CB-CB 3.99Å; W353-L362 WeakPolarHBondContact CB-O 3.23Å; W353-L362 PolarHBondContact N-O 3.38Å; L362-I374 HydrophobicContact CB-CG2 4.39Å; L362-I374 HydrophobicContact CD2-CG2 4.11Å; L362-F375 CarbonylContact C-O 3.57Å; L362-F375 WeakPolarHBondContact CA-O 3.2Å; L362-M382 HydrophobicContact CD2-CB 4.37Å; L362-F444 HydrophobicContact CB-CZ 4.31Å; L362-F444 HydrophobicContact CD1-CE1 4.06Å; L362-F444 HydrophobicContact CD1-CZ 3.87Å |
| 363 | L | 92.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.9 | -179.5 | 179.2 | 141.2 | 0 | 0 | 0 | 109.9 | I350 F352 I374 F375 C658 I667 | I350-L363 HydrophobicContact CB-CD1 4.4Å; I350-L363 HydrophobicContact CB-CD2 4.32Å; I350-L363 HydrophobicContact CG2-CD2 4.04Å; F352-L363 HydrophobicContact CD1-CB 4.43Å; F352-L363 HydrophobicContact CE1-CB 4.5Å; F352-L363 HydrophobicContact CE1-CD1 4.3Å; F352-L363 HydrophobicContact CE2-CD1 4.32Å; F352-L363 HydrophobicContact CZ-CD1 4.22Å; L363-I374 CarbonylContact O-C 3.56Å; L363-I374 WeakPolarHBondContact O-CA 3.47Å; L363-F375 PolarHBondContact N-O 2.83Å; L363-F375 PolarHBondContact O-N 2.86Å; L363-C658 HydrophobicContact CD1-CB 3.87Å; L363-C658 WeakPolarHBondContact CD1-SG 3.32Å; L363-I667 HydrophobicContact CD1-CG2 4.46Å; L363-I667 HydrophobicContact CD2-CD1 3.67Å; L363-I667 HydrophobicContact CD2-CG2 4.32Å |
| 364 | L | 94 | Very high | 82.5 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 136.6 | 169.4 | -175.1 | 70.4 | 0 | 0 | 0 | 109 | I350 L351 R373 I374 L386 M416 V429 | I350-L364 CarbonylContact C-O 3.47Å; I350-L364 VanDerWaalsContact CA-O 3.32Å; I350-L364 WeakPolarHBondContact CA-O 3.41Å; L351-L364 HydrophobicContact CB-CB 4.49Å; L351-L364 PolarHBondContact N-O 2.9Å; L351-L364 WeakPolarHBondContact O-CB 3.36Å; L351-L364 PolarHBondContact O-N 2.81Å; L364-R373 CarbonylContact C-O 3.52Å; L364-R373 WeakPolarHBondContact CA-O 3.45Å; L364-I374 HydrophobicContact CD1-CG1 4.2Å; L364-L386 HydrophobicContact CD1-CD1 3.27Å; L364-M416 HydrophobicContact CD2-CE 4.4Å; L364-M416 HydrophobicContact CD2-SD 3.62Å; L364-M416 HydrophobicContact CG-CE 4.38Å; L364-M416 HydrophobicContact CG-SD 3.93Å; L364-V429 HydrophobicContact CD2-CG1 3.67Å; L364-V429 HydrophobicContact CD2-CG2 4.21Å |
| 365 | S | 94.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 141.5 | 178.4 | 60.9 | 0 | 0 | 0 | 0 | 110.8 | H343 R349 L372 R373 F375 I667 | H343-S365 WeakPolarHBondContact NE2-CB 2.98Å; H343-S365 PolarHBondContact NE2-OG 3.03Å; R349-S365 WeakPolarHBondContact O-CA 3.5Å; S365-L372 WeakPolarHBondContact O-CA 3.42Å; S365-R373 PolarHBondContact N-O 3.05Å; S365-R373 PolarHBondContact O-N 2.78Å; S365-R373 PolarHBondContact OG-O 2.96Å; S365-F375 VanDerWaalsContact OG-CD2 3.25Å; S365-F375 WeakPolarHBondContact OG-CD2 3.38Å; S365-F375 WeakPolarHBondContact OG-CE2 3.42Å; S365-I667 VanDerWaalsContact CB-CD1 3.45Å |
| 366 | A | 94.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P347 N348 R349 L372 V413 M416 | P347-A366 CarbonylContact C-O 3.57Å; P347-A366 WeakPolarHBondContact CA-O 3.27Å; N348-A366 PolarHBondContact N-O 2.64Å; N348-A366 PolarHBondContact OD1-O 3.35Å; R349-A366 HydrophobicContact CB-CB 4.41Å; R349-A366 PolarHBondContact O-N 3.42Å; A366-L372 HydrophobicContact CB-CD2 3.5Å; A366-V413 HydrophobicContact CB-CB 3.55Å; A366-V413 HydrophobicContact CB-CG1 3.94Å; A366-V413 HydrophobicContact CB-CG2 3.9Å; A366-M416 HydrophobicContact CB-CE 3.94Å; A366-M416 HydrophobicContact CB-SD 3.85Å |
| 367 | G | 88.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 154.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H343 D369 G370 V371 | H343-G367 PolarHBondContact CE1-N 3.03Å; H343-G367 VanDerWaalsContact CE1-N 3.26Å; G367-D369 WeakPolarHBondContact CA-OD1 3.34Å; G367-D369 PolarHBondContact O-N 2.69Å; G367-D369 VanDerWaalsContact O-N 3.11Å; G367-G370 PolarHBondContact O-N 2.97Å; G367-G370 VanDerWaalsContact O-N 3.08Å; G367-V371 PolarHBondContact N-O 2.86Å |
| 368 | K | 88.7 | Confident | 86 | Confident | 85 Ų | 85 | 15.6 Ų | 15.6 | 37% | 0.37 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -4.5 | 162.3 | -71.3 | -178.8 | 179.6 | -174.6 | 0 | 113.3 | R345 P346 N348 G370 D412 | R345-K368 HydrophobicContact CB-CB 3.93Å; P346-K368 WeakPolarHBondContact O-CG 3.39Å; P346-K368 PolarHBondContact O-N 2.99Å; P346-K368 VanDerWaalsContact O-N 3.14Å; N348-K368 HydrophobicContact CB-CG 4.24Å; K368-G370 VanDerWaalsContact C-N 3.28Å; K368-D412 HydrophobicContact CG-CB 4.47Å |
| 369 | D | 86.1 | Confident | 87.1 | Confident | 8 Ų | 8 | 16.7 Ų | 16.7 | 4% | 0.043 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 2.6 | 171.7 | 60.9 | 3 | 0 | 0 | 0 | 113.1 | H343 S344 R345 G367 V371 | H343-D369 IonicContact ND1-OD1 3.62Å; H343-D369 IonicContact ND1-OD2 2.79Å; S344-D369 PolarHBondContact N-OD2 3.14Å; S344-D369 WeakPolarHBondContact OG-CB 3.4Å; S344-D369 PolarHBondContact OG-OD2 2.72Å; R345-D369 HydrophobicContact CB-CB 4.13Å; R345-D369 HydrophobicContact CG-CB 4.19Å; G367-D369 WeakPolarHBondContact CA-OD1 3.34Å; G367-D369 PolarHBondContact O-N 2.69Å; G367-D369 VanDerWaalsContact O-N 3.11Å; D369-V371 HydrophobicContact CB-CG2 4.4Å; D369-V371 PolarHBondContact O-N 2.79Å; D369-V371 WeakPolarHBondContact OD1-CB 3.31Å; D369-V371 PolarHBondContact OD1-N 3.26Å; D369-V371 VanDerWaalsContact OD1-N 3.13Å |
| 370 | G | 84.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | 72.7 | 16.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G367 K368 C388 A389 | G367-G370 PolarHBondContact O-N 2.97Å; G367-G370 VanDerWaalsContact O-N 3.08Å; K368-G370 VanDerWaalsContact C-N 3.28Å; G370-C388 WeakPolarHBondContact O-CA 3.31Å; G370-A389 PolarHBondContact O-N 3.06Å |
| 371 | V | 89.7 | Confident | 89.1 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.9 | 179.2 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | W295 H343 G367 D369 R373 C388 | W295-V371 HydrophobicContact CH2-CG2 4.46Å; H343-V371 PolarHBondContact CE1-O 2.99Å; G367-V371 PolarHBondContact N-O 2.86Å; D369-V371 HydrophobicContact CB-CG2 4.4Å; D369-V371 PolarHBondContact O-N 2.79Å; D369-V371 WeakPolarHBondContact OD1-CB 3.31Å; D369-V371 PolarHBondContact OD1-N 3.26Å; D369-V371 VanDerWaalsContact OD1-N 3.13Å; V371-R373 HydrophobicContact CG1-CG 3.91Å; V371-C388 HydrophobicContact CG2-CB 4.47Å |
| 372 | L | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.5 | 167.9 | -71.7 | 170.1 | 0 | 0 | 0 | 110.1 | S365 A366 L386 G387 V413 M416 A431 W442 | S365-L372 WeakPolarHBondContact O-CA 3.42Å; A366-L372 HydrophobicContact CB-CD2 3.5Å; L372-L386 HydrophobicContact CB-CB 3.88Å; L372-L386 HydrophobicContact CB-CD1 3.77Å; L372-L386 HydrophobicContact CB-CG 4.47Å; L372-L386 WeakPolarHBondContact O-CB 3.46Å; L372-L386 PolarHBondContact O-N 3.25Å; L372-G387 PolarHBondContact N-O 2.8Å; L372-V413 HydrophobicContact CD2-CG2 4.33Å; L372-M416 HydrophobicContact CD2-CG 4.43Å; L372-M416 HydrophobicContact CD2-SD 3.3Å; L372-M416 WeakPolarHBondContact CD2-SD 3.36Å; L372-A431 HydrophobicContact CD1-CB 4.07Å; L372-W442 HydrophobicContact CD1-CD2 3.49Å; L372-W442 VanDerWaalsContact CD1-CD2 3.49Å; L372-W442 HydrophobicContact CD1-CE3 4Å; L372-W442 HydrophobicContact CD1-CG 3.82Å; L372-W442 HydrophobicContact CD1-CH2 4.17Å; L372-W442 HydrophobicContact CD1-CZ2 3.72Å; L372-W442 HydrophobicContact CD1-CZ3 4.3Å |
| 373 | R | 93.9 | Very high | 89.2 | Confident | 23 Ų | 23 | 28 Ų | 28 | 9% | 0.087 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 144.6 | -178 | -64.1 | -178.7 | 178.2 | -98.1 | -1.5 | 111.3 | I341 G342 L364 S365 V371 F375 K384 | I341-R373 PolarHBondContact O-NH1 3.36Å; G342-R373 PolarHBondContact O-NE 3.03Å; G342-R373 PolarHBondContact O-NH1 2.87Å; G342-R373 PolarHBondContact O-NH2 3.04Å; L364-R373 CarbonylContact C-O 3.52Å; L364-R373 WeakPolarHBondContact CA-O 3.45Å; S365-R373 PolarHBondContact N-O 3.05Å; S365-R373 PolarHBondContact O-N 2.78Å; S365-R373 PolarHBondContact OG-O 2.96Å; V371-R373 HydrophobicContact CG1-CG 3.91Å; R373-F375 HydrophobicContact CB-CD2 4.33Å; R373-F375 HydrophobicContact CB-CE2 3.82Å; R373-F375 HydrophobicContact CB-CZ 4.13Å; R373-K384 WeakPolarHBondContact CA-O 3.14Å |
| 374 | I | 93.8 | Very high | 89.1 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122.1 | 170.8 | -56.5 | 169.3 | 0 | 0 | 0 | 106.5 | L362 L363 L364 N383 K384 L386 F444 | L362-I374 HydrophobicContact CB-CG2 4.39Å; L362-I374 HydrophobicContact CD2-CG2 4.11Å; L363-I374 CarbonylContact O-C 3.56Å; L363-I374 WeakPolarHBondContact O-CA 3.47Å; L364-I374 HydrophobicContact CD1-CG1 4.2Å; I374-N383 CarbonylContact O-C 3.48Å; I374-N383 VanDerWaalsContact O-CA 3.27Å; I374-N383 WeakPolarHBondContact O-CA 3.41Å; I374-K384 PolarHBondContact N-O 3.01Å; I374-K384 PolarHBondContact O-N 2.86Å; I374-L386 HydrophobicContact CD1-CD1 4.23Å; I374-L386 HydrophobicContact CD1-CD2 4.31Å; I374-L386 HydrophobicContact CD1-CG 4.15Å; I374-L386 HydrophobicContact CG1-CD1 3.93Å; I374-L386 HydrophobicContact CG1-CG 4.23Å; I374-F444 HydrophobicContact CD1-CD2 3.65Å; I374-F444 HydrophobicContact CD1-CE1 4.44Å; I374-F444 HydrophobicContact CD1-CE2 3.49Å; I374-F444 VanDerWaalsContact CD1-CE2 3.49Å; I374-F444 HydrophobicContact CD1-CG 4.21Å; I374-F444 HydrophobicContact CD1-CZ 3.92Å; I374-F444 HydrophobicContact CG1-CD2 4.12Å; I374-F444 HydrophobicContact CG1-CE2 3.69Å; I374-F444 HydrophobicContact CG1-CZ 4.33Å; I374-F444 HydrophobicContact CG2-CE2 4.05Å; I374-F444 HydrophobicContact CG2-CZ 3.98Å |
| 375 | F | 93 | Very high | 89 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.9 | 171.3 | -68.3 | -71.5 | 0 | 0 | 0 | 109.4 | L11 G12 H343 L362 L363 S365 R373 N383 I667 | L11-F375 HydrophobicContact CB-CB 4.49Å; L11-F375 HydrophobicContact CD1-CB 4.08Å; G12-F375 VanDerWaalsContact CA-CE1 3.45Å; H343-F375 AromaticContact CD2-CE2 3.83Å; H343-F375 AromaticContact NE2-CE2 3.82Å; L362-F375 CarbonylContact C-O 3.57Å; L362-F375 WeakPolarHBondContact CA-O 3.2Å; L363-F375 PolarHBondContact N-O 2.83Å; L363-F375 PolarHBondContact O-N 2.86Å; S365-F375 VanDerWaalsContact OG-CD2 3.25Å; S365-F375 WeakPolarHBondContact OG-CD2 3.38Å; S365-F375 WeakPolarHBondContact OG-CE2 3.42Å; R373-F375 HydrophobicContact CB-CD2 4.33Å; R373-F375 HydrophobicContact CB-CE2 3.82Å; R373-F375 HydrophobicContact CB-CZ 4.13Å; F375-N383 WeakPolarHBondContact CA-OD1 3.28Å; F375-N383 HydrophobicContact CD1-CB 4.32Å; F375-I667 HydrophobicContact CD2-CD1 3.42Å; F375-I667 VanDerWaalsContact CD2-CD1 3.42Å; F375-I667 HydrophobicContact CE2-CD1 3.61Å; F375-I667 HydrophobicContact CG-CD1 4.4Å |
| 376 | S | 90.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 140.7 | 167.4 | -175 | 0 | 0 | 0 | 0 | 109.9 | G361 F378 N379 N383 | G361-S376 VanDerWaalsContact O-CA 3.26Å; G361-S376 WeakPolarHBondContact O-CA 3.32Å; G361-S376 PolarHBondContact O-OG 2.83Å; S376-F378 PolarHBondContact OG-N 2.81Å; S376-N379 WeakPolarHBondContact CB-O 3.42Å; S376-N379 PolarHBondContact OG-N 2.8Å; S376-N383 PolarHBondContact N-OD1 3.19Å |
| 377 | T | 87.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -72.5 | -34.2 | 174.8 | 48.7 | 0 | 0 | 0 | 0 | 111.8 | L11 F352 G360 G361 F656 L669 | L11-T377 HydrophobicContact CD1-CG2 4.39Å; F352-T377 HydrophobicContact CE1-CG2 4.16Å; G360-T377 VanDerWaalsContact O-CG2 3.28Å; G360-T377 WeakPolarHBondContact O-CG2 3.39Å; G360-T377 PolarHBondContact O-OG1 3.18Å; G361-T377 WeakPolarHBondContact CA-OG1 3.33Å; G361-T377 PolarHBondContact O-N 3.21Å; G361-T377 VanDerWaalsContact O-N 3.14Å; G361-T377 PolarHBondContact O-OG1 2.79Å; T377-F656 HydrophobicContact CG2-CD2 4.33Å; T377-L669 HydrophobicContact CG2-CD1 4.13Å; T377-L669 HydrophobicContact CG2-CD2 4.09Å |
| 378 | F | 83.9 | Confident | 88.2 | Confident | 93 Ų | 93 | 38 Ų | 38 | 41% | 0.408 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -92.1 | -57.6 | -180 | -54.7 | -74.1 | 0 | 0 | 0 | 112.2 | S376 F656 | S376-F378 PolarHBondContact OG-N 2.81Å; F378-F656 HydrophobicContact CE1-CE2 4.35Å; F378-F656 HydrophobicContact CZ-CE2 4.12Å |
| 379 | N | 82.4 | Confident | 88 | Confident | 74 Ų | 74 | 34 Ų | 34 | 40% | 0.396 | 17% | 0.17 | S | C | . | . | trans | -118.3 | 103.3 | -160.9 | -80.8 | -14.6 | 0 | 0 | 0 | 112.7 | S376 Y381 M382 | S376-N379 WeakPolarHBondContact CB-O 3.42Å; S376-N379 PolarHBondContact OG-N 2.8Å; N379-Y381 HydrophobicContact CB-CD1 3.73Å; N379-Y381 HydrophobicContact CB-CE1 3.37Å; N379-Y381 VanDerWaalsContact ND2-CE1 3.31Å; N379-Y381 WeakPolarHBondContact ND2-CE1 3.37Å; N379-Y381 PolarHBondContact ND2-OH 3.1Å; N379-Y381 PolarHBondContact O-N 3.16Å; N379-M382 HydrophobicContact CB-CG 4.24Å; N379-M382 WeakPolarHBondContact O-CB 3.32Å; N379-M382 PolarHBondContact O-N 3.49Å | ||
| 380 | E | 82.7 | Confident | 88 | Confident | 24 Ų | 24 | 34.9 Ų | 34.9 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -62.1 | -19.9 | -178 | -68.1 | -165.2 | 171.2 | 0 | 0 | 114.8 | R9 L51 R340 M382 N383 | R9-E380 IonicContact CZ-OE1 3.95Å; R9-E380 VanDerWaalsContact NH2-CD 3.28Å; R9-E380 IonicContact NH2-OE1 2.69Å; R9-E380 PolarHBondContact NH2-OE1 3.45Å; L51-E380 HydrophobicContact CD2-CG 4.28Å; L51-E380 VanDerWaalsContact CD2-OE1 3.31Å; L51-E380 WeakPolarHBondContact CD2-OE1 3.22Å; L51-E380 WeakPolarHBondContact CD2-OE2 3.19Å; R340-E380 PolarHBondContact NH1-O 3.48Å; E380-M382 PolarHBondContact O-N 2.79Å; E380-N383 WeakPolarHBondContact O-CB 3.37Å; E380-N383 PolarHBondContact O-N 2.71Å; E380-N383 VanDerWaalsContact O-N 3.11Å; E380-N383 PolarHBondContact O-ND2 3.41Å |
| 381 | Y | 82.3 | Confident | 88 | Confident | 150 Ų | 150 | 36 Ų | 36 | 59% | 0.588 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -66.6 | -22.4 | 174.9 | 74.4 | -97.3 | 0 | 0 | 0 | 112.7 | N379 N383 | N379-Y381 HydrophobicContact CB-CD1 3.73Å; N379-Y381 HydrophobicContact CB-CE1 3.37Å; N379-Y381 VanDerWaalsContact ND2-CE1 3.31Å; N379-Y381 WeakPolarHBondContact ND2-CE1 3.37Å; N379-Y381 PolarHBondContact ND2-OH 3.1Å; N379-Y381 PolarHBondContact O-N 3.16Å; Y381-N383 VanDerWaalsContact C-N 3.25Å |
| 382 | M | 86.1 | Confident | 87.4 | Confident | 71 Ų | 71 | 39 Ų | 39 | 35% | 0.35 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -80.5 | -6 | 175 | -65.5 | -65.6 | -81.2 | 0 | 0 | 112.7 | L362 N379 E380 K384 | L362-M382 HydrophobicContact CD2-CB 4.37Å; N379-M382 HydrophobicContact CB-CG 4.24Å; N379-M382 WeakPolarHBondContact O-CB 3.32Å; N379-M382 PolarHBondContact O-N 3.49Å; E380-M382 PolarHBondContact O-N 2.79Å; M382-K384 PolarHBondContact O-N 2.77Å |
| 383 | N | 90.7 | Very high | 86.7 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 21% | 0.214 | 23% | 0.232 | C | C | . | . | trans | -64.6 | 123.9 | 176.8 | -63.5 | -12.5 | 0 | 0 | 0 | 110 | I374 F375 S376 E380 Y381 | I374-N383 CarbonylContact O-C 3.48Å; I374-N383 VanDerWaalsContact O-CA 3.27Å; I374-N383 WeakPolarHBondContact O-CA 3.41Å; F375-N383 WeakPolarHBondContact CA-OD1 3.28Å; F375-N383 HydrophobicContact CD1-CB 4.32Å; S376-N383 PolarHBondContact N-OD1 3.19Å; E380-N383 WeakPolarHBondContact O-CB 3.37Å; E380-N383 PolarHBondContact O-N 2.71Å; E380-N383 VanDerWaalsContact O-N 3.11Å; E380-N383 PolarHBondContact O-ND2 3.41Å; Y381-N383 VanDerWaalsContact C-N 3.25Å | ||
| 384 | K | 91.1 | Very high | 86.2 | Confident | 103 Ų | 103 | 42.2 Ų | 42.2 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.4 | -177.9 | -68.8 | 176 | -175.1 | 176.9 | 0 | 110.1 | R373 I374 M382 A447 | R373-K384 WeakPolarHBondContact CA-O 3.14Å; I374-K384 PolarHBondContact N-O 3.01Å; I374-K384 PolarHBondContact O-N 2.86Å; M382-K384 PolarHBondContact O-N 2.77Å; K384-A447 HydrophobicContact CB-CB 4.21Å; K384-A447 HydrophobicContact CD-CB 4.07Å |
| 385 | S | 90.9 | Very high | 85.6 | Confident | 51 Ų | 51 | 44 Ų | 44 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.5 | 168.5 | 178 | 0 | 0 | 0 | 0 | 108.5 | G387 | S385-G387 PolarHBondContact OG-N 3.22Å |
| 386 | L | 89.8 | Confident | 84.9 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -18.2 | 173.4 | -75.3 | 152.4 | 0 | 0 | 0 | 111.9 | L364 L372 I374 W442 N443 A447 T448 R449 | L364-L386 HydrophobicContact CD1-CD1 3.27Å; L372-L386 HydrophobicContact CB-CB 3.88Å; L372-L386 HydrophobicContact CB-CD1 3.77Å; L372-L386 HydrophobicContact CB-CG 4.47Å; L372-L386 WeakPolarHBondContact O-CB 3.46Å; L372-L386 PolarHBondContact O-N 3.25Å; I374-L386 HydrophobicContact CD1-CD1 4.23Å; I374-L386 HydrophobicContact CD1-CD2 4.31Å; I374-L386 HydrophobicContact CD1-CG 4.15Å; I374-L386 HydrophobicContact CG1-CD1 3.93Å; I374-L386 HydrophobicContact CG1-CG 4.23Å; L386-W442 HydrophobicContact CB-CE3 3.81Å; L386-W442 HydrophobicContact CB-CZ3 3.99Å; L386-W442 WeakPolarHBondContact O-CZ3 3.1Å; L386-N443 VanDerWaalsContact CD2-O 3.29Å; L386-N443 WeakPolarHBondContact CD2-O 3.46Å; L386-A447 WeakPolarHBondContact CA-O 3.33Å; L386-A447 HydrophobicContact CD2-CB 4.46Å; L386-T448 CarbonylContact O-C 3.55Å; L386-R449 PolarHBondContact O-N 2.69Å |
| 387 | G | 86 | Confident | 84.2 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.8 | -178.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L372 S385 | L372-G387 PolarHBondContact N-O 2.8Å; S385-G387 PolarHBondContact OG-N 3.22Å |
| 388 | C | 85.4 | Confident | 83.7 | Confident | 25 Ų | 25 | 70.3 Ų | 70.3 | 17% | 0.169 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 142.9 | 174.3 | -49.9 | 0 | 0 | 0 | 0 | 110.3 | G370 V371 Y390 L409 | G370-C388 WeakPolarHBondContact O-CA 3.31Å; V371-C388 HydrophobicContact CG2-CB 4.47Å; C388-Y390 HydrophobicContact CB-CD2 3.95Å; C388-Y390 HydrophobicContact CB-CE2 3.56Å; C388-Y390 WeakPolarHBondContact O-CD2 3.47Å; C388-L409 HydrophobicContact CB-CD1 3.65Å |
| 389 | A | 83.8 | Confident | 83.2 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | trans | -75.7 | 124.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | G370 L409 L410 H433 W442 | G370-A389 PolarHBondContact O-N 3.06Å; A389-L409 WeakPolarHBondContact O-CD1 3.22Å; A389-L410 HydrophobicContact CB-CB 3.84Å; A389-L410 HydrophobicContact CB-CD1 3.86Å; A389-L410 HydrophobicContact CB-CG 4.32Å; A389-L410 PolarHBondContact O-N 3.18Å; A389-H433 WeakPolarHBondContact CB-CE1 3.07Å; A389-W442 HydrophobicContact CB-CH2 4.12Å; A389-W442 HydrophobicContact CB-CZ2 3.7Å | ||
| 390 | Y | 86.1 | Confident | 82.8 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 11% | 0.106 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -134.1 | 130.8 | -170.2 | -91.5 | -58.2 | 0 | 0 | 0 | 107.9 | C388 V394 R405 W408 L409 W453 | C388-Y390 HydrophobicContact CB-CD2 3.95Å; C388-Y390 HydrophobicContact CB-CE2 3.56Å; C388-Y390 WeakPolarHBondContact O-CD2 3.47Å; Y390-V394 VanDerWaalsContact CB-CG2 3.49Å; Y390-V394 HydrophobicContact CD1-CG1 4.1Å; Y390-V394 HydrophobicContact CD1-CG2 3.99Å; Y390-V394 HydrophobicContact CG-CG1 4.3Å; Y390-V394 HydrophobicContact CG-CG2 4.01Å; Y390-R405 HydrophobicContact CE1-CB 4.07Å; Y390-R405 WeakPolarHBondContact CE1-O 3.37Å; Y390-W408 CarbonylContact C-O 3.54Å; Y390-W408 VanDerWaalsContact CA-O 3.31Å; Y390-W408 WeakPolarHBondContact CA-O 3.44Å; Y390-W408 HydrophobicContact CD1-CB 4.15Å; Y390-L409 HydrophobicContact CD1-CB 4.47Å; Y390-L409 HydrophobicContact CD1-CD1 4.48Å; Y390-L409 HydrophobicContact CE1-CB 4.22Å; Y390-L409 HydrophobicContact CE1-CD1 4.14Å; Y390-W453 WeakPolarHBondContact O-CH2 3.41Å; Y390-W453 WeakPolarHBondContact O-CZ2 3.12Å |
| 391 | A | 84.8 | Confident | 82.3 | Confident | 25 Ų | 25 | 74 Ų | 74 | 21% | 0.207 | 37% | 0.373 | C | S | . | . | trans | -56.3 | 154.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G393 V394 W408 L410 | A391-G393 PolarHBondContact O-N 2.97Å; A391-V394 WeakPolarHBondContact O-CG2 3.47Å; A391-V394 PolarHBondContact O-N 3.23Å; A391-W408 HydrophobicContact CB-CE3 4.16Å; A391-W408 PolarHBondContact N-O 2.85Å; A391-L410 HydrophobicContact CB-CD2 4.09Å | ||
| 392 | P | 78.1 | Confident | 81.7 | Confident | 64 Ų | 64 | 69.5 Ų | 69.5 | 42% | 0.416 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 138.5 | 175.4 | 25.6 | -34.4 | 0 | 0 | 0 | 110.5 | W408 W453 | P392-W408 WeakPolarHBondContact O-CZ3 3.31Å; P392-W453 HydrophobicContact CG-CE3 4.41Å |
| 393 | G | 77.4 | Confident | 81.1 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 63% | 0.629 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.8 | 3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A391 | A391-G393 PolarHBondContact O-N 2.97Š|
| 394 | V | 83.1 | Confident | 80.7 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 130.5 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 111 | Y390 A391 R405 W408 | Y390-V394 VanDerWaalsContact CB-CG2 3.49Å; Y390-V394 HydrophobicContact CD1-CG1 4.1Å; Y390-V394 HydrophobicContact CD1-CG2 3.99Å; Y390-V394 HydrophobicContact CG-CG1 4.3Å; Y390-V394 HydrophobicContact CG-CG2 4.01Å; A391-V394 WeakPolarHBondContact O-CG2 3.47Å; A391-V394 PolarHBondContact O-N 3.23Å; V394-R405 HydrophobicContact CG1-CB 4.19Å; V394-R405 HydrophobicContact CG1-CG 3.97Å; V394-R405 VanDerWaalsContact CG1-NE 3.25Å; V394-W408 HydrophobicContact CB-CB 4.27Å; V394-W408 HydrophobicContact CB-CG 4.33Å; V394-W408 HydrophobicContact CG1-CB 4.26Å; V394-W408 HydrophobicContact CG1-CG 4.36Å; V394-W408 HydrophobicContact CG2-CB 3.32Å; V394-W408 HydrophobicContact CG2-CD2 4.03Å; V394-W408 HydrophobicContact CG2-CE3 4.05Å; V394-W408 HydrophobicContact CG2-CG 3.76Å |
| 395 | P | 81.4 | Confident | 80.3 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 27% | 0.273 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 143.1 | 176.5 | -26.3 | 33.7 | 0 | 0 | 0 | 112.8 | R397 T400 | P395-R397 PolarHBondContact O-N 2.97Å; P395-T400 HydrophobicContact CB-CG2 3.22Å; P395-T400 WeakPolarHBondContact CB-OG1 3.08Å; P395-T400 HydrophobicContact CG-CG2 4.11Å |
| 396 | E | 79 | Confident | 79.9 | Confident | 116 Ų | 116 | 73.1 Ų | 73.1 | 54% | 0.542 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 135.4 | -179.7 | -69.3 | -178.2 | 155.1 | 0 | 0 | 111.2 | R398 K399 T400 | E396-R398 PolarHBondContact O-N 2.92Å; E396-K399 PolarHBondContact O-N 2.98Å; E396-K399 WeakPolarHBondContact OE2-CD 3.21Å; E396-K399 VanDerWaalsContact OE2-CE 3.26Å; E396-K399 WeakPolarHBondContact OE2-CE 3.45Å; E396-K399 IonicContact OE2-NZ 2.74Å; E396-K399 PolarHBondContact OE2-NZ 3.25Å; E396-T400 PolarHBondContact O-N 3.3Å; E396-T400 PolarHBondContact O-OG1 3.32Å |
| 397 | R | 76.1 | Confident | 79.7 | Confident | 201 Ų | 201 | 77.9 Ų | 77.9 | 76% | 0.758 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -31.7 | -179.9 | -167.2 | 173.3 | 171 | -167.8 | -5.6 | 113.6 | P395 R405 | P395-R397 PolarHBondContact O-N 2.97Å; R397-R405 VanDerWaalsContact CA-NH1 3.28Å |
| 398 | R | 75.9 | Confident | 79.7 | Confident | 246 Ų | 246 | 81.1 Ų | 81.1 | 93% | 0.928 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -26.6 | -176.1 | -67 | -177.7 | 178.8 | 176.6 | -0.4 | 112.7 | E396 | E396-R398 PolarHBondContact O-N 2.92Š|
| 399 | K | 74.3 | Confident | 79.8 | Confident | 163 Ų | 163 | 82.7 Ų | 82.7 | 71% | 0.709 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -13 | -171.8 | -66.6 | 176.9 | 178.7 | 148.6 | 0 | 113.6 | E396 | E396-K399 PolarHBondContact O-N 2.98Å; E396-K399 WeakPolarHBondContact OE2-CD 3.21Å; E396-K399 VanDerWaalsContact OE2-CE 3.26Å; E396-K399 WeakPolarHBondContact OE2-CE 3.45Å; E396-K399 IonicContact OE2-NZ 2.74Å; E396-K399 PolarHBondContact OE2-NZ 3.25Å |
| 400 | T | 74.8 | Confident | 80 | Confident | 32 Ų | 32 | 83.2 Ų | 83.2 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -129.9 | 142.8 | -170.7 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | P395 E396 Q404 | P395-T400 HydrophobicContact CB-CG2 3.22Å; P395-T400 WeakPolarHBondContact CB-OG1 3.08Å; P395-T400 HydrophobicContact CG-CG2 4.11Å; E396-T400 PolarHBondContact O-N 3.3Å; E396-T400 PolarHBondContact O-OG1 3.32Å; T400-Q404 VanDerWaalsContact CA-OE1 3.24Å; T400-Q404 VanDerWaalsContact CG2-OE1 3.29Å |
| 401 | T | 72.2 | Confident | 80.1 | Confident | 74 Ų | 74 | 84.1 Ų | 84.1 | 45% | 0.454 | 42% | 0.42 | S | S | . | . | trans | -69.5 | 152.9 | 169.4 | 38.7 | 0 | 0 | 0 | 0 | 109.5 | Q403 Q404 R405 | T401-Q403 PolarHBondContact O-N 3.39Å; T401-Q404 VanDerWaalsContact N-OE1 3.13Å; T401-Q404 WeakPolarHBondContact O-CB 3.16Å; T401-Q404 PolarHBondContact O-N 3.02Å; T401-Q404 VanDerWaalsContact OG1-CD 3.3Å; T401-Q404 WeakPolarHBondContact OG1-CG 3.17Å; T401-Q404 PolarHBondContact OG1-OE1 2.97Å; T401-R405 PolarHBondContact O-N 2.93Å | ||
| 402 | R | 68 | Low | 80.3 | Confident | 56 Ų | 56 | 85.2 Ų | 85.2 | 21% | 0.211 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.6 | -33.1 | -179.7 | -172.5 | 170.3 | 166.6 | -125.9 | -10.2 | 112.6 | W295 Q404 R405 L406 | W295-R402 VanDerWaalsContact CE3-NH2 3.26Å; W295-R402 VanDerWaalsContact CZ3-NH2 3.3Å; W295-R402 VanDerWaalsContact NE1-CZ 3.31Å; R402-Q404 VanDerWaalsContact C-N 3.26Å; R402-Q404 PolarHBondContact O-N 2.68Å; R402-R405 CarbonylContact O-C 3.54Å; R402-R405 WeakPolarHBondContact O-CA 3.48Å; R402-R405 WeakPolarHBondContact O-CB 3.1Å; R402-R405 PolarHBondContact O-N 3.32Å; R402-L406 WeakPolarHBondContact O-CG 3.49Å; R402-L406 PolarHBondContact O-N 3.44Å |
| 403 | Q | 74.9 | Confident | 81 | Confident | 113 Ų | 113 | 82.2 Ų | 82.2 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -56.7 | -38.9 | 173.7 | -72.8 | 173.4 | -17.2 | 0 | 0 | 112.4 | T401 R405 L406 P407 | T401-Q403 PolarHBondContact O-N 3.39Å; Q403-R405 PolarHBondContact O-N 2.86Å; Q403-L406 PolarHBondContact O-N 3.26Å; Q403-P407 WeakPolarHBondContact O-CD 3.42Å |
| 404 | Q | 81.8 | Confident | 81.7 | Confident | 105 Ų | 105 | 81.7 Ų | 81.7 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.5 | -21.1 | 175.5 | -64.5 | 170.4 | -23.3 | 0 | 0 | 112.7 | T400 T401 R402 | T400-Q404 VanDerWaalsContact CA-OE1 3.24Å; T400-Q404 VanDerWaalsContact CG2-OE1 3.29Å; T401-Q404 VanDerWaalsContact N-OE1 3.13Å; T401-Q404 WeakPolarHBondContact O-CB 3.16Å; T401-Q404 PolarHBondContact O-N 3.02Å; T401-Q404 VanDerWaalsContact OG1-CD 3.3Å; T401-Q404 WeakPolarHBondContact OG1-CG 3.17Å; T401-Q404 PolarHBondContact OG1-OE1 2.97Å; R402-Q404 VanDerWaalsContact C-N 3.26Å; R402-Q404 PolarHBondContact O-N 2.68Å |
| 405 | R | 83.2 | Confident | 82.2 | Confident | 39 Ų | 39 | 82.2 Ų | 82.2 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -93.1 | -22.4 | 179.5 | -63.4 | -176 | 58.7 | 173.9 | 3 | 113.5 | Y390 V394 R397 T401 R402 Q403 P407 W408 | Y390-R405 HydrophobicContact CE1-CB 4.07Å; Y390-R405 WeakPolarHBondContact CE1-O 3.37Å; V394-R405 HydrophobicContact CG1-CB 4.19Å; V394-R405 HydrophobicContact CG1-CG 3.97Å; V394-R405 VanDerWaalsContact CG1-NE 3.25Å; R397-R405 VanDerWaalsContact CA-NH1 3.28Å; T401-R405 PolarHBondContact O-N 2.93Å; R402-R405 CarbonylContact O-C 3.54Å; R402-R405 WeakPolarHBondContact O-CA 3.48Å; R402-R405 WeakPolarHBondContact O-CB 3.1Å; R402-R405 PolarHBondContact O-N 3.32Å; Q403-R405 PolarHBondContact O-N 2.86Å; R405-P407 VanDerWaalsContact C-N 3.32Å; R405-W408 WeakPolarHBondContact O-CB 3.37Å; R405-W408 PolarHBondContact O-N 2.86Å |
| 406 | L | 81.3 | Confident | 82.8 | Confident | 83 Ų | 83 | 81 Ų | 81 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -51.5 | -40.9 | 178.4 | -73.2 | 172.2 | 0 | 0 | 0 | 113.8 | R402 Q403 W408 L409 | R402-L406 WeakPolarHBondContact O-CG 3.49Å; R402-L406 PolarHBondContact O-N 3.44Å; Q403-L406 PolarHBondContact O-N 3.26Å; L406-W408 PolarHBondContact O-N 3.45Å; L406-W408 VanDerWaalsContact O-N 3.1Å; L406-L409 VanDerWaalsContact O-CB 3.24Å; L406-L409 WeakPolarHBondContact O-CB 3.22Å; L406-L409 PolarHBondContact O-N 2.76Å |
| 407 | P | 86.3 | Confident | 83.6 | Confident | 107 Ų | 107 | 76 Ų | 76 | 70% | 0.695 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -60.9 | -22.2 | 177.9 | -24.8 | 35.2 | 0 | 0 | 0 | 114 | Q403 R405 | Q403-P407 WeakPolarHBondContact O-CD 3.42Å; R405-P407 VanDerWaalsContact C-N 3.32Å |
| 408 | W | 86.6 | Confident | 84.4 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -92.5 | -5.3 | -179.9 | -54.7 | 79.1 | 0 | 0 | 0 | 112.8 | Y390 A391 P392 V394 R405 L406 L410 | Y390-W408 CarbonylContact C-O 3.54Å; Y390-W408 VanDerWaalsContact CA-O 3.31Å; Y390-W408 WeakPolarHBondContact CA-O 3.44Å; Y390-W408 HydrophobicContact CD1-CB 4.15Å; A391-W408 HydrophobicContact CB-CE3 4.16Å; A391-W408 PolarHBondContact N-O 2.85Å; P392-W408 WeakPolarHBondContact O-CZ3 3.31Å; V394-W408 HydrophobicContact CB-CB 4.27Å; V394-W408 HydrophobicContact CB-CG 4.33Å; V394-W408 HydrophobicContact CG1-CB 4.26Å; V394-W408 HydrophobicContact CG1-CG 4.36Å; V394-W408 HydrophobicContact CG2-CB 3.32Å; V394-W408 HydrophobicContact CG2-CD2 4.03Å; V394-W408 HydrophobicContact CG2-CE3 4.05Å; V394-W408 HydrophobicContact CG2-CG 3.76Å; R405-W408 WeakPolarHBondContact O-CB 3.37Å; R405-W408 PolarHBondContact O-N 2.86Å; L406-W408 PolarHBondContact O-N 3.45Å; L406-W408 VanDerWaalsContact O-N 3.1Å; W408-L410 PolarHBondContact O-N 2.87Å |
| 409 | L | 86.7 | Confident | 85.2 | Confident | 59 Ų | 59 | 55.9 Ų | 55.9 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -64 | 125.6 | 178.3 | -175.3 | 70 | 0 | 0 | 0 | 108.9 | C388 A389 Y390 L406 | C388-L409 HydrophobicContact CB-CD1 3.65Å; A389-L409 WeakPolarHBondContact O-CD1 3.22Å; Y390-L409 HydrophobicContact CD1-CB 4.47Å; Y390-L409 HydrophobicContact CD1-CD1 4.48Å; Y390-L409 HydrophobicContact CE1-CB 4.22Å; Y390-L409 HydrophobicContact CE1-CD1 4.14Å; L406-L409 VanDerWaalsContact O-CB 3.24Å; L406-L409 WeakPolarHBondContact O-CB 3.22Å; L406-L409 PolarHBondContact O-N 2.76Å |
| 410 | L | 87.6 | Confident | 86 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | trans | -73.4 | 151.7 | 176.8 | -70 | 176.6 | 0 | 0 | 0 | 110.7 | A389 A391 W408 H433 K436 T440 W453 | A389-L410 HydrophobicContact CB-CB 3.84Å; A389-L410 HydrophobicContact CB-CD1 3.86Å; A389-L410 HydrophobicContact CB-CG 4.32Å; A389-L410 PolarHBondContact O-N 3.18Å; A391-L410 HydrophobicContact CB-CD2 4.09Å; W408-L410 PolarHBondContact O-N 2.87Å; L410-H433 HydrophobicContact CB-CB 4.46Å; L410-K436 HydrophobicContact CD2-CG 4.32Å; L410-T440 HydrophobicContact CD1-CG2 3.81Å; L410-W453 HydrophobicContact CD1-CH2 3.52Å; L410-W453 HydrophobicContact CD1-CZ3 3.93Å; L410-W453 HydrophobicContact CG-CH2 4.45Å | ||
| 411 | P | 88.3 | Confident | 86.7 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | trans | -67.2 | -178.2 | 176 | 28.9 | -33.8 | 0 | 0 | 0 | 111.9 | H433 S434 K436 | P411-H433 HydrophobicContact CG-CB 4.23Å; P411-H433 PolarHBondContact O-ND1 2.82Å; P411-S434 WeakPolarHBondContact CG-O 3.28Å; P411-K436 HydrophobicContact CG-CG 4.12Å | ||
| 412 | D | 90.4 | Very high | 87.6 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | trans | -54.6 | 148.2 | -178 | 62.6 | -39.6 | 0 | 0 | 0 | 113.1 | K368 H433 S434 | K368-D412 HydrophobicContact CG-CB 4.47Å; D412-H433 CarbonylContact O-C 3.49Å; D412-H433 WeakPolarHBondContact O-CA 2.95Å; D412-S434 PolarHBondContact O-N 3.45Å; D412-S434 WeakPolarHBondContact OD1-CB 2.88Å | ||
| 413 | V | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 117.4 | -179.1 | 178.2 | 0 | 0 | 0 | 0 | 109 | N348 A366 L372 H415 M416 A431 I432 | N348-V413 VanDerWaalsContact CG-O 3.32Å; N348-V413 PolarHBondContact ND2-O 3.33Å; N348-V413 PolarHBondContact OD1-O 2.89Å; A366-V413 HydrophobicContact CB-CB 3.55Å; A366-V413 HydrophobicContact CB-CG1 3.94Å; A366-V413 HydrophobicContact CB-CG2 3.9Å; L372-V413 HydrophobicContact CD2-CG2 4.33Å; V413-H415 WeakPolarHBondContact CG1-O 3.46Å; V413-M416 HydrophobicContact CG1-CG 3.55Å; V413-M416 HydrophobicContact CG1-SD 4.33Å; V413-A431 HydrophobicContact CG1-CB 3.98Å; V413-I432 CarbonylContact C-O 3.59Å; V413-I432 VanDerWaalsContact CA-O 3.28Å; V413-I432 WeakPolarHBondContact CA-O 3.44Å |
| 414 | V | 91.8 | Very high | 89.2 | Confident | 50 Ų | 50 | 55 Ų | 55 | 30% | 0.303 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -31.8 | -176.9 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | R349 I432 | R349-V414 WeakPolarHBondContact CD-O 3.47Å; R349-V414 WeakPolarHBondContact CG-O 3.35Å; R349-V414 PolarHBondContact NE-O 2.75Å; V414-I432 PolarHBondContact N-O 2.88Å |
| 415 | H | 93.6 | Very high | 89.6 | Confident | 43 Ų | 43 | 53 Ų | 53 | 20% | 0.199 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 144.7 | -178.5 | -168.8 | -83.9 | 0 | 0 | 0 | 110.8 | V413 I432 A478 | V413-H415 WeakPolarHBondContact CG1-O 3.46Å; H415-I432 HydrophobicContact CB-CB 4.18Å; H415-I432 HydrophobicContact CB-CD1 4.24Å; H415-I432 PolarHBondContact O-N 2.77Å; H415-A478 PolarHBondContact CE1-O 2.74Å; H415-A478 PolarHBondContact ND1-O 3.28Å |
| 416 | M | 94.6 | Very high | 90 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.4 | 174.7 | -64.7 | -172.7 | -72.3 | 0 | 0 | 110.2 | R349 L364 A366 L372 V413 V430 | R349-M416 HydrophobicContact CB-CE 3.7Å; R349-M416 VanDerWaalsContact O-CE 3.3Å; R349-M416 WeakPolarHBondContact O-CE 3.21Å; L364-M416 HydrophobicContact CD2-CE 4.4Å; L364-M416 HydrophobicContact CD2-SD 3.62Å; L364-M416 HydrophobicContact CG-CE 4.38Å; L364-M416 HydrophobicContact CG-SD 3.93Å; A366-M416 HydrophobicContact CB-CE 3.94Å; A366-M416 HydrophobicContact CB-SD 3.85Å; L372-M416 HydrophobicContact CD2-CG 4.43Å; L372-M416 HydrophobicContact CD2-SD 3.3Å; L372-M416 WeakPolarHBondContact CD2-SD 3.36Å; V413-M416 HydrophobicContact CG1-CG 3.55Å; V413-M416 HydrophobicContact CG1-SD 4.33Å; M416-V430 WeakPolarHBondContact CA-O 3.18Å |
| 417 | A | 94.5 | Very high | 90.6 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V429 V430 L480 | A417-V429 CarbonylContact O-C 3.59Å; A417-V429 WeakPolarHBondContact O-CA 3.38Å; A417-V430 PolarHBondContact N-O 3.08Å; A417-V430 PolarHBondContact O-N 3.15Å; A417-L480 HydrophobicContact CB-CB 4.32Å; A417-L480 HydrophobicContact CB-CD1 4.29Å; A417-L480 HydrophobicContact CB-CG 4.09Å; A417-L480 WeakPolarHBondContact O-CD1 3.12Å |
| 418 | A | 93.8 | Very high | 91 | Very high | 18 Ų | 18 | 44.9 Ų | 44.9 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L351 W353 S428 V429 | L351-A418 HydrophobicContact CD2-CB 3.48Å; L351-A418 VanDerWaalsContact CD2-CB 3.48Å; W353-A418 HydrophobicContact CE3-CB 4.12Å; W353-A418 HydrophobicContact CZ3-CB 3.98Å; A418-S428 WeakPolarHBondContact CA-O 3.28Å; A418-V429 HydrophobicContact CB-CG2 3.84Å |
| 419 | C | 92.5 | Very high | 91.4 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | trans | -139.2 | 138.3 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | W353 T421 S428 L480 T481 N482 | W353-C419 VanDerWaalsContact CH2-O 3.32Å; W353-C419 WeakPolarHBondContact CH2-O 3.49Å; C419-T421 PolarHBondContact SG-OG1 3.4Å; C419-S428 PolarHBondContact N-O 3.05Å; C419-S428 WeakPolarHBondContact O-CB 3.38Å; C419-L480 HydrophobicContact CB-CB 4.12Å; C419-L480 HydrophobicContact CB-CD1 4.38Å; C419-T481 PolarHBondContact SG-O 3.18Å; C419-N482 PolarHBondContact SG-O 3.42Å | ||
| 420 | S | 91.2 | Very high | 91.8 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | trans | -92.8 | -25.4 | -174.5 | 49.7 | 0 | 0 | 0 | 0 | 115.2 | G355 R422 A423 | G355-S420 WeakPolarHBondContact CA-OG 3.45Å; G355-S420 VanDerWaalsContact N-CB 3.33Å; S420-R422 PolarHBondContact O-N 3.21Å; S420-R422 VanDerWaalsContact O-N 3.07Å; S420-A423 WeakPolarHBondContact O-CB 3.09Å; S420-A423 PolarHBondContact O-N 3.03Å; S420-A423 VanDerWaalsContact O-N 3.16Å | ||
| 421 | T | 90.4 | Very high | 92.1 | Very high | 71 Ų | 71 | 37.2 Ų | 37.2 | 44% | 0.436 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.5 | -165 | 51 | 0 | 0 | 0 | 0 | 115.1 | C419 N482 C483 G484 | C419-T421 PolarHBondContact SG-OG1 3.4Å; T421-N482 WeakPolarHBondContact CB-O 3.28Å; T421-N482 WeakPolarHBondContact CG2-O 3.46Å; T421-N482 PolarHBondContact OG1-O 2.83Å; T421-C483 PolarHBondContact OG1-O 3.4Å; T421-G484 PolarHBondContact OG1-N 2.68Å |
| 422 | R | 89.9 | Confident | 92.4 | Very high | 133 Ų | 133 | 35 Ų | 35 | 50% | 0.502 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | 25 | 179.4 | -63.7 | -68.8 | -175.9 | -121.2 | 6.9 | 112.8 | S420 E424 A425 W426 C483 | S420-R422 PolarHBondContact O-N 3.21Å; S420-R422 VanDerWaalsContact O-N 3.07Å; R422-E424 PolarHBondContact O-N 2.82Å; R422-A425 PolarHBondContact O-N 2.61Å; R422-W426 HydrophobicContact CB-CD2 4.39Å; R422-W426 HydrophobicContact CB-CH2 4.16Å; R422-W426 HydrophobicContact CB-CZ2 3.51Å; R422-W426 HydrophobicContact CG-CH2 3.92Å; R422-W426 HydrophobicContact CG-CZ2 3.5Å; R422-W426 PolarHBondContact O-N 2.76Å; R422-C483 WeakPolarHBondContact CG-O 3.48Å |
| 423 | A | 87.7 | Confident | 92.6 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | W353 S420 A445 | W353-A423 HydrophobicContact CH2-CB 3.62Å; W353-A423 HydrophobicContact CZ2-CB 3.56Å; S420-A423 WeakPolarHBondContact O-CB 3.09Å; S420-A423 PolarHBondContact O-N 3.03Å; S420-A423 VanDerWaalsContact O-N 3.16Å; A423-A445 WeakPolarHBondContact O-CB 3.47Å |
| 424 | E | 88.8 | Confident | 92.6 | Very high | 171 Ų | 171 | 35.1 Ų | 35.1 | 80% | 0.799 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -28.5 | 175.7 | -61.9 | -171.4 | 161 | 0 | 0 | 112.9 | R422 A445 | R422-E424 PolarHBondContact O-N 2.82Å; E424-A445 HydrophobicContact CG-CB 4.34Å |
| 425 | A | 90.9 | Very high | 92.5 | Very high | 61 Ų | 61 | 35.4 Ų | 35.4 | 50% | 0.504 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -45.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112 | R422 | R422-A425 PolarHBondContact O-N 2.61Š|
| 426 | W | 91.9 | Very high | 92.3 | Very high | 44 Ų | 44 | 37.9 Ų | 37.9 | 17% | 0.167 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -150.7 | -167.1 | 179 | 53 | 79.2 | 0 | 0 | 0 | 111.2 | R422 N443 G484 N485 Q502 | R422-W426 HydrophobicContact CB-CD2 4.39Å; R422-W426 HydrophobicContact CB-CH2 4.16Å; R422-W426 HydrophobicContact CB-CZ2 3.51Å; R422-W426 HydrophobicContact CG-CH2 3.92Å; R422-W426 HydrophobicContact CG-CZ2 3.5Å; R422-W426 PolarHBondContact O-N 2.76Å; W426-N443 PolarHBondContact O-ND2 2.93Å; W426-G484 PolarHBondContact NE1-O 3.44Å; W426-N485 WeakPolarHBondContact CZ2-OD1 3.36Å; W426-Q502 HydrophobicContact CD2-CB 3.99Å; W426-Q502 HydrophobicContact CD2-CG 4.23Å; W426-Q502 HydrophobicContact CE3-CB 4.07Å; W426-Q502 HydrophobicContact CE3-CG 3.84Å; W426-Q502 HydrophobicContact CG-CB 4.34Å; W426-Q502 HydrophobicContact CZ3-CB 4.46Å; W426-Q502 HydrophobicContact CZ3-CG 4.22Å |
| 427 | D | 94 | Very high | 92.2 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | trans | -64.8 | 134.6 | -177.8 | -62.2 | -23.3 | 0 | 0 | 0 | 111.3 | S441 W442 G450 Q451 H452 M501 | D427-S441 WeakPolarHBondContact OD2-CB 3.45Å; D427-S441 PolarHBondContact OD2-OG 3.02Å; D427-W442 CarbonylContact C-O 3.57Å; D427-G450 VanDerWaalsContact CG-CA 3.4Å; D427-G450 VanDerWaalsContact OD1-CA 3.29Å; D427-G450 WeakPolarHBondContact OD1-CA 3.32Å; D427-G450 WeakPolarHBondContact OD2-CA 3.49Å; D427-Q451 PolarHBondContact OD2-N 3.06Å; D427-H452 IonicContact OD2-CD2 3.6Å; D427-M501 HydrophobicContact CB-CE 3.84Å; D427-M501 WeakPolarHBondContact O-CE 3.5Å | ||
| 428 | S | 93.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | trans | -119.5 | -5.8 | -169.5 | 27.3 | 0 | 0 | 0 | 0 | 114.2 | A418 C419 W442 F444 L480 | A418-S428 WeakPolarHBondContact CA-O 3.28Å; C419-S428 PolarHBondContact N-O 3.05Å; C419-S428 WeakPolarHBondContact O-CB 3.38Å; S428-W442 PolarHBondContact N-O 3.47Å; S428-F444 WeakPolarHBondContact OG-CB 3.39Å; S428-F444 PolarHBondContact OG-N 2.86Å; S428-L480 WeakPolarHBondContact O-CD1 3.13Å | ||
| 429 | V | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.1 | -176.9 | 172.1 | 0 | 0 | 0 | 0 | 108.8 | W353 L364 A417 A418 S441 W442 F444 | W353-V429 HydrophobicContact CZ3-CG2 3.98Å; L364-V429 HydrophobicContact CD2-CG1 3.67Å; L364-V429 HydrophobicContact CD2-CG2 4.21Å; A417-V429 CarbonylContact O-C 3.59Å; A417-V429 WeakPolarHBondContact O-CA 3.38Å; A418-V429 HydrophobicContact CB-CG2 3.84Å; V429-S441 CarbonylContact O-C 3.58Å; V429-S441 WeakPolarHBondContact O-CA 3.31Å; V429-W442 HydrophobicContact CB-CB 3.87Å; V429-W442 HydrophobicContact CG1-CB 4.08Å; V429-W442 PolarHBondContact N-O 3.26Å; V429-W442 PolarHBondContact O-N 2.9Å; V429-F444 HydrophobicContact CG2-CB 4.22Å; V429-F444 HydrophobicContact CG2-CD2 4.45Å |
| 430 | V | 95.3 | Very high | 92 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.5 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 108.3 | M416 A417 V439 T440 F454 A478 L480 A487 M501 | M416-V430 WeakPolarHBondContact CA-O 3.18Å; A417-V430 PolarHBondContact N-O 3.08Å; A417-V430 PolarHBondContact O-N 3.15Å; V430-V439 HydrophobicContact CG1-CG1 3.22Å; V430-T440 WeakPolarHBondContact CA-O 3.37Å; V430-F454 HydrophobicContact CG2-CE2 4.14Å; V430-A478 HydrophobicContact CG1-CB 3.92Å; V430-L480 HydrophobicContact CB-CD1 4.41Å; V430-L480 HydrophobicContact CB-CG 4.44Å; V430-L480 HydrophobicContact CG2-CD1 4.03Å; V430-L480 HydrophobicContact CG2-CD2 3.75Å; V430-L480 HydrophobicContact CG2-CG 4.01Å; V430-A487 HydrophobicContact CG2-CB 4.28Å; V430-M501 HydrophobicContact CG2-CE 3.76Å; V430-M501 HydrophobicContact CG2-SD 3.73Å |
| 431 | A | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L372 V413 V439 T440 | L372-A431 HydrophobicContact CD1-CB 4.07Å; V413-A431 HydrophobicContact CG1-CB 3.98Å; A431-V439 VanDerWaalsContact O-CG1 3.29Å; A431-V439 WeakPolarHBondContact O-CG1 3.26Å; A431-T440 PolarHBondContact N-O 2.98Å; A431-T440 PolarHBondContact O-N 3.43Å; A431-T440 PolarHBondContact O-OG1 3.1Å |
| 432 | I | 94.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.1 | 175.1 | -68.6 | 176.9 | 0 | 0 | 0 | 108.9 | V413 V414 H415 V439 A475 A478 | V413-I432 CarbonylContact C-O 3.59Å; V413-I432 VanDerWaalsContact CA-O 3.28Å; V413-I432 WeakPolarHBondContact CA-O 3.44Å; V414-I432 PolarHBondContact N-O 2.88Å; H415-I432 HydrophobicContact CB-CB 4.18Å; H415-I432 HydrophobicContact CB-CD1 4.24Å; H415-I432 PolarHBondContact O-N 2.77Å; I432-V439 HydrophobicContact CG1-CG1 3.84Å; I432-V439 HydrophobicContact CG1-CG2 3.92Å; I432-A475 HydrophobicContact CD1-CB 4.11Å; I432-A475 HydrophobicContact CG1-CB 4.2Å; I432-A475 HydrophobicContact CG2-CB 4.03Å; I432-A475 WeakPolarHBondContact CG2-O 3.33Å; I432-A478 HydrophobicContact CD1-CB 3.75Å; I432-A478 HydrophobicContact CG1-CB 4.21Å |
| 433 | H | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.2 | 179.5 | -62.3 | -84.3 | 0 | 0 | 0 | 111.3 | A389 L410 P411 D412 G435 K436 T440 | A389-H433 WeakPolarHBondContact CB-CE1 3.07Å; L410-H433 HydrophobicContact CB-CB 4.46Å; P411-H433 HydrophobicContact CG-CB 4.23Å; P411-H433 PolarHBondContact O-ND1 2.82Å; D412-H433 CarbonylContact O-C 3.49Å; D412-H433 WeakPolarHBondContact O-CA 2.95Å; H433-G435 PolarHBondContact O-N 3.09Å; H433-K436 HydrophobicContact CB-CB 4.23Å; H433-K436 HydrophobicContact CB-CG 4.23Å; H433-K436 PolarHBondContact O-N 2.91Å; H433-T440 PolarHBondContact NE2-OG1 3.41Å |
| 434 | S | 92.3 | Very high | 92.7 | Very high | 51 Ų | 51 | 29 Ų | 29 | 36% | 0.357 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 130.5 | -177.5 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | P411 D412 K436 | P411-S434 WeakPolarHBondContact CG-O 3.28Å; D412-S434 PolarHBondContact O-N 3.45Å; D412-S434 WeakPolarHBondContact OD1-CB 2.88Å; S434-K436 PolarHBondContact O-N 2.97Å; S434-K436 VanDerWaalsContact O-N 3.16Å |
| 435 | G | 89.3 | Confident | 92.7 | Very high | 56 Ų | 56 | 23.2 Ų | 23.2 | 58% | 0.577 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 15.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H433 | H433-G435 PolarHBondContact O-N 3.09Š|
| 436 | K | 90.3 | Very high | 92.7 | Very high | 95 Ų | 95 | 26.8 Ų | 26.8 | 41% | 0.413 | 15% | 0.148 | S | C | . | . | trans | -115.4 | 137.2 | 176.9 | -63.1 | -64 | -175.9 | -178.9 | 0 | 111.1 | L410 P411 H433 S434 A475 | L410-K436 HydrophobicContact CD2-CG 4.32Å; P411-K436 HydrophobicContact CG-CG 4.12Å; H433-K436 HydrophobicContact CB-CB 4.23Å; H433-K436 HydrophobicContact CB-CG 4.23Å; H433-K436 PolarHBondContact O-N 2.91Å; S434-K436 PolarHBondContact O-N 2.97Å; S434-K436 VanDerWaalsContact O-N 3.16Å; K436-A475 PolarHBondContact O-N 3.29Å; K436-A475 VanDerWaalsContact O-N 3.15Å | ||
| 437 | R | 91 | Very high | 92.6 | Very high | 43 Ų | 43 | 25.6 Ų | 25.6 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -75.8 | -30.9 | 170.4 | 75.5 | -175.2 | -169.5 | -169.8 | 6.3 | 112.8 | D455 H460 T473 Y491 | R437-D455 IonicContact CZ-OD1 2.77Å; R437-D455 IonicContact CZ-OD2 2.61Å; R437-D455 IonicContact NE-OD1 2.74Å; R437-D455 PolarHBondContact NE-OD1 3.38Å; R437-D455 VanDerWaalsContact NE-OD1 3.1Å; R437-D455 IonicContact NE-OD2 3.23Å; R437-D455 PolarHBondContact NE-OD2 2.9Å; R437-D455 IonicContact NH2-OD1 3.01Å; R437-D455 IonicContact NH2-OD2 3.78Å; R437-D455 PolarHBondContact NH2-OD2 3.05Å; R437-D455 VanDerWaalsContact NH2-OD2 3.09Å; R437-H460 PolarHBondContact NH2-CE1 3.05Å; R437-H460 PolarHBondContact NH2-ND1 3.17Å; R437-T473 WeakPolarHBondContact CB-O 3.36Å; R437-Y491 HydrophobicContact CB-CE1 4.34Å; R437-Y491 WeakPolarHBondContact O-CE1 3.33Å |
| 438 | Q | 90.1 | Very high | 92.4 | Very high | 49 Ų | 49 | 28.3 Ų | 28.3 | 23% | 0.229 | 16% | 0.164 | C | C | . | . | trans | -76.9 | 134 | -175.8 | -67.6 | 172.8 | -9.7 | 0 | 0 | 110.9 | W453 D455 | Q438-W453 HydrophobicContact CB-CE3 3.95Å; Q438-W453 HydrophobicContact CB-CZ3 4.21Å; Q438-D455 HydrophobicContact CG-CB 4.11Å; Q438-D455 WeakPolarHBondContact CG-OD2 3.27Å; Q438-D455 PolarHBondContact NE2-OD2 2.77Å; Q438-D455 VanDerWaalsContact NE2-OD2 3.17Å | ||
| 439 | V | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.8 | 179.9 | -172.2 | 0 | 0 | 0 | 0 | 109.9 | V430 A431 I432 F454 A475 I489 | V430-V439 HydrophobicContact CG1-CG1 3.22Å; A431-V439 VanDerWaalsContact O-CG1 3.29Å; A431-V439 WeakPolarHBondContact O-CG1 3.26Å; I432-V439 HydrophobicContact CG1-CG1 3.84Å; I432-V439 HydrophobicContact CG1-CG2 3.92Å; V439-F454 HydrophobicContact CB-CB 4.29Å; V439-F454 HydrophobicContact CB-CD2 4.38Å; V439-F454 PolarHBondContact N-O 2.84Å; V439-F454 VanDerWaalsContact N-O 3.08Å; V439-F454 PolarHBondContact O-N 3.09Å; V439-A475 HydrophobicContact CG2-CB 3.51Å; V439-I489 HydrophobicContact CB-CD1 3.79Å; V439-I489 HydrophobicContact CG1-CD1 4.16Å; V439-I489 HydrophobicContact CG2-CD1 3.8Å; V439-I489 HydrophobicContact CG2-CG1 4.36Å; V439-I489 HydrophobicContact CG2-CG2 3.74Å |
| 440 | T | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138.1 | -175.3 | 58 | 0 | 0 | 0 | 0 | 111.5 | L410 V430 A431 H433 W442 W453 | L410-T440 HydrophobicContact CD1-CG2 3.81Å; V430-T440 WeakPolarHBondContact CA-O 3.37Å; A431-T440 PolarHBondContact N-O 2.98Å; A431-T440 PolarHBondContact O-N 3.43Å; A431-T440 PolarHBondContact O-OG1 3.1Å; H433-T440 PolarHBondContact NE2-OG1 3.41Å; T440-W442 PolarHBondContact OG1-NE1 3.34Å; T440-W453 HydrophobicContact CG2-CD2 4.29Å; T440-W453 HydrophobicContact CG2-CE3 3.95Å; T440-W453 HydrophobicContact CG2-CH2 3.44Å; T440-W453 VanDerWaalsContact CG2-CH2 3.44Å; T440-W453 HydrophobicContact CG2-CZ2 3.8Å; T440-W453 HydrophobicContact CG2-CZ3 3.52Å |
| 441 | S | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 153.1 | 167.9 | 74.2 | 0 | 0 | 0 | 0 | 111.4 | D427 V429 G450 H452 | D427-S441 WeakPolarHBondContact OD2-CB 3.45Å; D427-S441 PolarHBondContact OD2-OG 3.02Å; V429-S441 CarbonylContact O-C 3.58Å; V429-S441 WeakPolarHBondContact O-CA 3.31Å; S441-G450 VanDerWaalsContact O-CA 3.24Å; S441-G450 WeakPolarHBondContact O-CA 3.49Å; S441-G450 PolarHBondContact O-N 3.37Å; S441-G450 WeakPolarHBondContact OG-CA 3.42Å; S441-H452 PolarHBondContact N-O 2.77Å; S441-H452 PolarHBondContact OG-N 3.08Å; S441-H452 PolarHBondContact OG-O 3.46Å; S441-H452 VanDerWaalsContact OG-O 3.12Å |
| 442 | W | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 142 | -177.6 | -61.8 | 82.5 | 0 | 0 | 0 | 110.6 | L372 L386 A389 D427 S428 V429 T440 R449 | L372-W442 HydrophobicContact CD1-CD2 3.49Å; L372-W442 VanDerWaalsContact CD1-CD2 3.49Å; L372-W442 HydrophobicContact CD1-CE3 4Å; L372-W442 HydrophobicContact CD1-CG 3.82Å; L372-W442 HydrophobicContact CD1-CH2 4.17Å; L372-W442 HydrophobicContact CD1-CZ2 3.72Å; L372-W442 HydrophobicContact CD1-CZ3 4.3Å; L386-W442 HydrophobicContact CB-CE3 3.81Å; L386-W442 HydrophobicContact CB-CZ3 3.99Å; L386-W442 WeakPolarHBondContact O-CZ3 3.1Å; A389-W442 HydrophobicContact CB-CH2 4.12Å; A389-W442 HydrophobicContact CB-CZ2 3.7Å; D427-W442 CarbonylContact C-O 3.57Å; S428-W442 PolarHBondContact N-O 3.47Å; V429-W442 HydrophobicContact CB-CB 3.87Å; V429-W442 HydrophobicContact CG1-CB 4.08Å; V429-W442 PolarHBondContact N-O 3.26Å; V429-W442 PolarHBondContact O-N 2.9Å; T440-W442 PolarHBondContact OG1-NE1 3.34Å; W442-R449 HydrophobicContact CD2-CG 4.39Å; W442-R449 VanDerWaalsContact CE3-CA 3.46Å; W442-R449 HydrophobicContact CE3-CB 4.01Å; W442-R449 HydrophobicContact CE3-CG 4.29Å; W442-R449 HydrophobicContact CH2-CB 4.33Å; W442-R449 HydrophobicContact CH2-CG 4.26Å; W442-R449 HydrophobicContact CZ2-CG 4.32Å; W442-R449 HydrophobicContact CZ3-CB 3.89Å; W442-R449 HydrophobicContact CZ3-CG 4.24Å |
| 443 | N | 93.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 111 | 177.2 | -166 | -60.8 | 0 | 0 | 0 | 109.7 | L386 W426 A445 K446 A447 T448 | L386-N443 VanDerWaalsContact CD2-O 3.29Å; L386-N443 WeakPolarHBondContact CD2-O 3.46Å; W426-N443 PolarHBondContact O-ND2 2.93Å; N443-A445 PolarHBondContact OD1-N 3.28Å; N443-K446 HydrophobicContact CB-CB 4.19Å; N443-K446 WeakPolarHBondContact OD1-CB 3.29Å; N443-K446 PolarHBondContact OD1-N 3.42Å; N443-A447 WeakPolarHBondContact O-CA 3.47Å; N443-A447 PolarHBondContact O-N 3.18Å; N443-A447 VanDerWaalsContact O-N 3.1Å; N443-T448 PolarHBondContact N-O 3.25Å; N443-T448 PolarHBondContact O-N 3.32Å |
| 444 | F | 91.7 | Very high | 90.9 | Very high | 19 Ų | 19 | 44.7 Ų | 44.7 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -46.8 | -179.3 | -174.1 | -91 | 0 | 0 | 0 | 112.2 | W353 L362 I374 S428 V429 K446 A447 | W353-F444 HydrophobicContact CB-CE2 4.18Å; W353-F444 HydrophobicContact CB-CZ 3.91Å; W353-F444 AromaticContact CD1-CE1 3.86Å; W353-F444 AromaticContact CD1-CZ 3.92Å; W353-F444 AromaticContact CD2-CD1 3.78Å; W353-F444 HydrophobicContact CD2-CD1 3.78Å; W353-F444 AromaticContact CD2-CD2 3.9Å; W353-F444 HydrophobicContact CD2-CD2 3.9Å; W353-F444 AromaticContact CD2-CE1 3.55Å; W353-F444 HydrophobicContact CD2-CE1 3.55Å; W353-F444 AromaticContact CD2-CE2 3.67Å; W353-F444 HydrophobicContact CD2-CE2 3.67Å; W353-F444 AromaticContact CD2-CG 3.95Å; W353-F444 HydrophobicContact CD2-CG 3.95Å; W353-F444 AromaticContact CD2-CZ 3.48Å; W353-F444 HydrophobicContact CD2-CZ 3.48Å; W353-F444 VanDerWaalsContact CD2-CZ 3.48Å; W353-F444 AromaticContact CE2-CD1 3.53Å; W353-F444 AromaticContact CE2-CE1 3.49Å; W353-F444 VanDerWaalsContact CE2-CE1 3.49Å; W353-F444 AromaticContact CE2-CZ 3.96Å; W353-F444 HydrophobicContact CE3-CB 4.3Å; W353-F444 AromaticContact CE3-CD1 3.96Å; W353-F444 HydrophobicContact CE3-CD1 3.96Å; W353-F444 AromaticContact CE3-CD2 3.39Å; W353-F444 HydrophobicContact CE3-CD2 3.39Å; W353-F444 HydrophobicContact CE3-CE1 4.08Å; W353-F444 AromaticContact CE3-CE2 3.52Å; W353-F444 HydrophobicContact CE3-CE2 3.52Å; W353-F444 AromaticContact CE3-CG 3.62Å; W353-F444 HydrophobicContact CE3-CG 3.62Å; W353-F444 AromaticContact CE3-CZ 3.87Å; W353-F444 HydrophobicContact CE3-CZ 3.87Å; W353-F444 HydrophobicContact CG-CD1 4.5Å; W353-F444 AromaticContact CG-CE1 3.8Å; W353-F444 HydrophobicContact CG-CE1 3.8Å; W353-F444 AromaticContact CG-CE2 3.96Å; W353-F444 HydrophobicContact CG-CE2 3.96Å; W353-F444 AromaticContact CG-CZ 3.49Å; W353-F444 HydrophobicContact CG-CZ 3.49Å; W353-F444 VanDerWaalsContact CG-CZ 3.49Å; W353-F444 HydrophobicContact CH2-CB 3.51Å; W353-F444 AromaticContact CH2-CD1 3.72Å; W353-F444 HydrophobicContact CH2-CD1 3.72Å; W353-F444 HydrophobicContact CH2-CD2 4.18Å; W353-F444 HydrophobicContact CH2-CE1 4.47Å; W353-F444 AromaticContact CH2-CG 3.54Å; W353-F444 HydrophobicContact CH2-CG 3.54Å; W353-F444 HydrophobicContact CZ2-CB 4.18Å; W353-F444 AromaticContact CZ2-CD1 3.51Å; W353-F444 HydrophobicContact CZ2-CD1 3.51Å; W353-F444 AromaticContact CZ2-CE1 3.99Å; W353-F444 HydrophobicContact CZ2-CE1 3.99Å; W353-F444 AromaticContact CZ2-CG 3.86Å; W353-F444 HydrophobicContact CZ2-CG 3.86Å; W353-F444 HydrophobicContact CZ3-CB 3.58Å; W353-F444 AromaticContact CZ3-CD1 3.94Å; W353-F444 HydrophobicContact CZ3-CD1 3.94Å; W353-F444 AromaticContact CZ3-CD2 3.56Å; W353-F444 HydrophobicContact CZ3-CD2 3.56Å; W353-F444 HydrophobicContact CZ3-CE2 4.17Å; W353-F444 AromaticContact CZ3-CG 3.41Å; W353-F444 HydrophobicContact CZ3-CG 3.41Å; W353-F444 VanDerWaalsContact CZ3-CG 3.41Å; W353-F444 AromaticContact NE1-CE1 3.67Å; L362-F444 HydrophobicContact CB-CZ 4.31Å; L362-F444 HydrophobicContact CD1-CE1 4.06Å; L362-F444 HydrophobicContact CD1-CZ 3.87Å; I374-F444 HydrophobicContact CD1-CD2 3.65Å; I374-F444 HydrophobicContact CD1-CE1 4.44Å; I374-F444 HydrophobicContact CD1-CE2 3.49Å; I374-F444 VanDerWaalsContact CD1-CE2 3.49Å; I374-F444 HydrophobicContact CD1-CG 4.21Å; I374-F444 HydrophobicContact CD1-CZ 3.92Å; I374-F444 HydrophobicContact CG1-CD2 4.12Å; I374-F444 HydrophobicContact CG1-CE2 3.69Å; I374-F444 HydrophobicContact CG1-CZ 4.33Å; I374-F444 HydrophobicContact CG2-CE2 4.05Å; I374-F444 HydrophobicContact CG2-CZ 3.98Å; S428-F444 WeakPolarHBondContact OG-CB 3.39Å; S428-F444 PolarHBondContact OG-N 2.86Å; V429-F444 HydrophobicContact CG2-CB 4.22Å; V429-F444 HydrophobicContact CG2-CD2 4.45Å; F444-K446 PolarHBondContact O-N 2.53Å; F444-A447 PolarHBondContact O-N 3.31Å; F444-A447 VanDerWaalsContact O-N 3.15Å |
| 445 | A | 89.4 | Confident | 90.8 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 40% | 0.397 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -43.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A423 E424 N443 A447 | A423-A445 WeakPolarHBondContact O-CB 3.47Å; E424-A445 HydrophobicContact CG-CB 4.34Å; N443-A445 PolarHBondContact OD1-N 3.28Å; A445-A447 VanDerWaalsContact C-N 3.28Å; A445-A447 PolarHBondContact O-N 2.78Å |
| 446 | K | 90.1 | Very high | 90.8 | Very high | 137 Ų | 137 | 40.7 Ų | 40.7 | 60% | 0.596 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12 | 177.2 | -64.4 | 177.7 | -177.4 | 171.1 | 0 | 113.1 | N443 F444 T448 | N443-K446 HydrophobicContact CB-CB 4.19Å; N443-K446 WeakPolarHBondContact OD1-CB 3.29Å; N443-K446 PolarHBondContact OD1-N 3.42Å; F444-K446 PolarHBondContact O-N 2.53Å; K446-T448 VanDerWaalsContact C-N 3.29Å; K446-T448 HydrophobicContact CB-CG2 4.47Å; K446-T448 PolarHBondContact O-N 3.41Å |
| 447 | A | 90.6 | Very high | 90.6 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 15% | 0.149 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 45.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K384 L386 N443 F444 A445 | K384-A447 HydrophobicContact CB-CB 4.21Å; K384-A447 HydrophobicContact CD-CB 4.07Å; L386-A447 WeakPolarHBondContact CA-O 3.33Å; L386-A447 HydrophobicContact CD2-CB 4.46Å; N443-A447 WeakPolarHBondContact O-CA 3.47Å; N443-A447 PolarHBondContact O-N 3.18Å; N443-A447 VanDerWaalsContact O-N 3.1Å; F444-A447 PolarHBondContact O-N 3.31Å; F444-A447 VanDerWaalsContact O-N 3.15Å; A445-A447 VanDerWaalsContact C-N 3.28Å; A445-A447 PolarHBondContact O-N 2.78Å |
| 448 | T | 90.7 | Very high | 90.2 | Very high | 67 Ų | 67 | 43.6 Ų | 43.6 | 41% | 0.411 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 162.5 | 179.9 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | L386 N443 K446 | L386-T448 CarbonylContact O-C 3.55Å; N443-T448 PolarHBondContact N-O 3.25Å; N443-T448 PolarHBondContact O-N 3.32Å; K446-T448 VanDerWaalsContact C-N 3.29Å; K446-T448 HydrophobicContact CB-CG2 4.47Å; K446-T448 PolarHBondContact O-N 3.41Å |
| 449 | R | 88.7 | Confident | 89.9 | Confident | 102 Ų | 102 | 41.2 Ų | 41.2 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 139.3 | 161 | -165.4 | -177.7 | 69.6 | 73.7 | 0 | 109.8 | L386 W442 | L386-R449 PolarHBondContact O-N 2.69Å; W442-R449 HydrophobicContact CD2-CG 4.39Å; W442-R449 VanDerWaalsContact CE3-CA 3.46Å; W442-R449 HydrophobicContact CE3-CB 4.01Å; W442-R449 HydrophobicContact CE3-CG 4.29Å; W442-R449 HydrophobicContact CH2-CB 4.33Å; W442-R449 HydrophobicContact CH2-CG 4.26Å; W442-R449 HydrophobicContact CZ2-CG 4.32Å; W442-R449 HydrophobicContact CZ3-CB 3.89Å; W442-R449 HydrophobicContact CZ3-CG 4.24Å |
| 450 | G | 87.3 | Confident | 89 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 175.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D427 S441 | D427-G450 VanDerWaalsContact CG-CA 3.4Å; D427-G450 VanDerWaalsContact OD1-CA 3.29Å; D427-G450 WeakPolarHBondContact OD1-CA 3.32Å; D427-G450 WeakPolarHBondContact OD2-CA 3.49Å; S441-G450 VanDerWaalsContact O-CA 3.24Å; S441-G450 WeakPolarHBondContact O-CA 3.49Å; S441-G450 PolarHBondContact O-N 3.37Å; S441-G450 WeakPolarHBondContact OG-CA 3.42Å |
| 451 | Q | 86.1 | Confident | 87.5 | Confident | 159 Ų | 159 | 47.2 Ų | 47.2 | 74% | 0.743 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84 | -25.5 | -176.9 | -64.1 | -175.9 | 0 | 0 | 0 | 112.3 | D427 | D427-Q451 PolarHBondContact OD2-N 3.06Å |
| 452 | H | 90 | Very high | 85.7 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 149 | -167.2 | -55.5 | -59.7 | 0 | 0 | 0 | 113.5 | D427 S441 F454 M501 Q502 | D427-H452 IonicContact OD2-CD2 3.6Å; S441-H452 PolarHBondContact N-O 2.77Å; S441-H452 PolarHBondContact OG-N 3.08Å; S441-H452 PolarHBondContact OG-O 3.46Å; S441-H452 VanDerWaalsContact OG-O 3.12Å; H452-F454 HydrophobicContact CB-CE1 4.16Å; H452-F454 HydrophobicContact CB-CZ 4.03Å; H452-M501 PolarHBondContact CD2-O 3.14Å; H452-M501 VanDerWaalsContact CD2-O 3.31Å; H452-Q502 PolarHBondContact NE2-O 2.99Å |
| 453 | W | 89.5 | Confident | 83.8 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 21% | 0.205 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.1 | 169.1 | -74.3 | 74 | 0 | 0 | 0 | 106.4 | Y390 P392 L410 Q438 T440 | Y390-W453 WeakPolarHBondContact O-CH2 3.41Å; Y390-W453 WeakPolarHBondContact O-CZ2 3.12Å; P392-W453 HydrophobicContact CG-CE3 4.41Å; L410-W453 HydrophobicContact CD1-CH2 3.52Å; L410-W453 HydrophobicContact CD1-CZ3 3.93Å; L410-W453 HydrophobicContact CG-CH2 4.45Å; Q438-W453 HydrophobicContact CB-CE3 3.95Å; Q438-W453 HydrophobicContact CB-CZ3 4.21Å; T440-W453 HydrophobicContact CG2-CD2 4.29Å; T440-W453 HydrophobicContact CG2-CE3 3.95Å; T440-W453 HydrophobicContact CG2-CH2 3.44Å; T440-W453 VanDerWaalsContact CG2-CH2 3.44Å; T440-W453 HydrophobicContact CG2-CZ2 3.8Å; T440-W453 HydrophobicContact CG2-CZ3 3.52Å |
| 454 | F | 92.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 113.3 | 179 | -53.1 | -68.5 | 0 | 0 | 0 | 108.4 | V430 V439 H452 I489 F499 M501 | V430-F454 HydrophobicContact CG2-CE2 4.14Å; V439-F454 HydrophobicContact CB-CB 4.29Å; V439-F454 HydrophobicContact CB-CD2 4.38Å; V439-F454 PolarHBondContact N-O 2.84Å; V439-F454 VanDerWaalsContact N-O 3.08Å; V439-F454 PolarHBondContact O-N 3.09Å; H452-F454 HydrophobicContact CB-CE1 4.16Å; H452-F454 HydrophobicContact CB-CZ 4.03Å; F454-I489 HydrophobicContact CB-CD1 3.36Å; F454-I489 HydrophobicContact CD2-CD1 3.98Å; F454-I489 HydrophobicContact CG-CD1 3.83Å; F454-F499 HydrophobicContact CB-CD1 4.37Å; F454-F499 HydrophobicContact CB-CD2 4.14Å; F454-F499 HydrophobicContact CB-CE1 4.34Å; F454-F499 HydrophobicContact CB-CE2 4.1Å; F454-F499 HydrophobicContact CB-CG 4.26Å; F454-F499 HydrophobicContact CB-CZ 4.21Å; F454-F499 HydrophobicContact CD1-CB 3.57Å; F454-F499 AromaticContact CD1-CD1 3.6Å; F454-F499 HydrophobicContact CD1-CD1 3.6Å; F454-F499 HydrophobicContact CD1-CD2 4.14Å; F454-F499 HydrophobicContact CD1-CE1 4.32Å; F454-F499 AromaticContact CD1-CG 3.49Å; F454-F499 HydrophobicContact CD1-CG 3.49Å; F454-F499 VanDerWaalsContact CD1-CG 3.49Å; F454-F499 HydrophobicContact CE1-CB 3.67Å; F454-F499 HydrophobicContact CE1-CD1 4.38Å; F454-F499 HydrophobicContact CE1-CG 4.13Å; F454-F499 HydrophobicContact CG-CB 4.41Å; F454-F499 HydrophobicContact CG-CD1 4.4Å; F454-F499 HydrophobicContact CG-CD2 4.32Å; F454-F499 HydrophobicContact CG-CG 4.12Å; F454-M501 HydrophobicContact CE1-SD 4.48Å; F454-M501 HydrophobicContact CE2-SD 3.87Å; F454-M501 HydrophobicContact CZ-CE 4.35Å; F454-M501 HydrophobicContact CZ-SD 3.46Å; F454-M501 WeakPolarHBondContact CZ-SD 3.41Å |
| 455 | D | 89.9 | Confident | 81.3 | Confident | 24 Ų | 24 | 69.5 Ų | 69.5 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | trans | -138.3 | 116.3 | 170.4 | -155.7 | -5.3 | 0 | 0 | 0 | 106.9 | R437 Q438 H460 | R437-D455 IonicContact CZ-OD1 2.77Å; R437-D455 IonicContact CZ-OD2 2.61Å; R437-D455 IonicContact NE-OD1 2.74Å; R437-D455 PolarHBondContact NE-OD1 3.38Å; R437-D455 VanDerWaalsContact NE-OD1 3.1Å; R437-D455 IonicContact NE-OD2 3.23Å; R437-D455 PolarHBondContact NE-OD2 2.9Å; R437-D455 IonicContact NH2-OD1 3.01Å; R437-D455 IonicContact NH2-OD2 3.78Å; R437-D455 PolarHBondContact NH2-OD2 3.05Å; R437-D455 VanDerWaalsContact NH2-OD2 3.09Å; Q438-D455 HydrophobicContact CG-CB 4.11Å; Q438-D455 WeakPolarHBondContact CG-OD2 3.27Å; Q438-D455 PolarHBondContact NE2-OD2 2.77Å; Q438-D455 VanDerWaalsContact NE2-OD2 3.17Å; D455-H460 WeakPolarHBondContact CB-NE2 3.26Å; D455-H460 IonicContact OD1-NE2 3.7Å; D455-H460 IonicContact OD2-CE1 3.16Å; D455-H460 PolarHBondContact OD2-CE1 3.25Å; D455-H460 IonicContact OD2-NE2 2.67Å; D455-H460 PolarHBondContact OD2-NE2 2.94Å | ||
| 456 | P | 89.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -61.3 | 141.8 | -176.9 | -25.4 | 32.5 | 0 | 0 | 0 | 112.9 | K458 F459 H460 Y491 F497 F499 | P456-K458 PolarHBondContact O-N 2.77Å; P456-F459 HydrophobicContact CB-CD2 4Å; P456-F459 HydrophobicContact CB-CE2 4.04Å; P456-F459 HydrophobicContact CB-CG 4.5Å; P456-F459 HydrophobicContact CG-CD2 3.86Å; P456-F459 HydrophobicContact CG-CE2 3.59Å; P456-F459 HydrophobicContact CG-CZ 4.34Å; P456-F459 PolarHBondContact O-N 3.26Å; P456-F459 VanDerWaalsContact O-N 3.1Å; P456-H460 PolarHBondContact O-CD2 2.85Å; P456-Y491 WeakPolarHBondContact CD-OH 3.15Å; P456-Y491 HydrophobicContact CG-CE1 4.43Å; P456-Y491 HydrophobicContact CG-CE2 3.66Å; P456-Y491 WeakPolarHBondContact CG-OH 3.38Å; P456-F497 HydrophobicContact CB-CD1 4.03Å; P456-F497 HydrophobicContact CB-CD2 3.72Å; P456-F497 HydrophobicContact CB-CE1 3.88Å; P456-F497 HydrophobicContact CB-CE2 3.54Å; P456-F497 HydrophobicContact CB-CG 3.94Å; P456-F497 HydrophobicContact CB-CZ 3.63Å; P456-F497 HydrophobicContact CG-CB 4.33Å; P456-F497 HydrophobicContact CG-CD1 4.37Å; P456-F497 HydrophobicContact CG-CD2 3.35Å; P456-F497 HydrophobicContact CG-CE2 3.57Å; P456-F497 HydrophobicContact CG-CG 3.77Å; P456-F497 HydrophobicContact CG-CZ 4.19Å; P456-F499 HydrophobicContact CB-CZ 4.43Å; P456-F499 HydrophobicContact CG-CE2 4.41Å; P456-F499 HydrophobicContact CG-CZ 3.97Å | ||
| 457 | L | 85.4 | Confident | 79.3 | Confident | 129 Ų | 129 | 65 Ų | 65 | 68% | 0.675 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -62.4 | -30 | -179.1 | -67.2 | 172.6 | 0 | 0 | 0 | 112.3 | F459 H460 E506 | L457-F459 PolarHBondContact O-N 3.39Å; L457-F459 VanDerWaalsContact O-N 3.11Å; L457-H460 PolarHBondContact O-N 2.94Å; L457-E506 PolarHBondContact N-OE2 3.36Å |
| 458 | K | 83.3 | Confident | 78.4 | Confident | 69 Ų | 69 | 73.1 Ų | 73.1 | 30% | 0.3 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -54 | -29 | 175.7 | -170.5 | -178.5 | 179.8 | -172.3 | 0 | 113.1 | P456 Y470 D495 F497 P513 | P456-K458 PolarHBondContact O-N 2.77Å; K458-Y470 VanDerWaalsContact CE-OH 3.28Å; K458-Y470 WeakPolarHBondContact CE-OH 3.27Å; K458-Y470 HydrophobicContact CG-CE2 4.4Å; K458-D495 IonicContact NZ-OD1 3.33Å; K458-D495 PolarHBondContact NZ-OD1 2.93Å; K458-D495 IonicContact NZ-OD2 3.76Å; K458-D495 PolarHBondContact NZ-OD2 3.15Å; K458-F497 HydrophobicContact CB-CZ 3.97Å; K458-F497 HydrophobicContact CD-CZ 3.86Å; K458-P513 PolarHBondContact NZ-O 3.45Å |
| 459 | F | 83.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -90.8 | -3 | -178.2 | -54.6 | -27.6 | 0 | 0 | 0 | 114 | P456 L457 Y470 Y491 F497 | P456-F459 HydrophobicContact CB-CD2 4Å; P456-F459 HydrophobicContact CB-CE2 4.04Å; P456-F459 HydrophobicContact CB-CG 4.5Å; P456-F459 HydrophobicContact CG-CD2 3.86Å; P456-F459 HydrophobicContact CG-CE2 3.59Å; P456-F459 HydrophobicContact CG-CZ 4.34Å; P456-F459 PolarHBondContact O-N 3.26Å; P456-F459 VanDerWaalsContact O-N 3.1Å; L457-F459 PolarHBondContact O-N 3.39Å; L457-F459 VanDerWaalsContact O-N 3.11Å; F459-Y470 AromaticContact CD1-CD1 3.63Å; F459-Y470 HydrophobicContact CD1-CD1 3.63Å; F459-Y470 AromaticContact CD1-CD2 3.69Å; F459-Y470 HydrophobicContact CD1-CD2 3.69Å; F459-Y470 HydrophobicContact CD1-CE1 4.16Å; F459-Y470 HydrophobicContact CD1-CE2 4.22Å; F459-Y470 AromaticContact CD1-CG 3.37Å; F459-Y470 HydrophobicContact CD1-CG 3.37Å; F459-Y470 AromaticContact CE1-CD1 3.57Å; F459-Y470 HydrophobicContact CE1-CD1 3.57Å; F459-Y470 HydrophobicContact CE1-CD2 4.42Å; F459-Y470 AromaticContact CE1-CE1 3.93Å; F459-Y470 HydrophobicContact CE1-CE1 3.93Å; F459-Y470 AromaticContact CE1-CG 3.84Å; F459-Y470 HydrophobicContact CE1-CG 3.84Å; F459-Y470 HydrophobicContact CG-CG 4.27Å; F459-Y491 AromaticContact CE2-CD1 3.73Å; F459-Y491 HydrophobicContact CE2-CD1 3.73Å; F459-Y491 HydrophobicContact CE2-CD2 4.31Å; F459-Y491 AromaticContact CE2-CE1 3.68Å; F459-Y491 HydrophobicContact CE2-CE1 3.68Å; F459-Y491 HydrophobicContact CE2-CE2 4.3Å; F459-Y491 HydrophobicContact CE2-CG 4.06Å; F459-Y491 AromaticContact CE2-CZ 3.99Å; F459-Y491 HydrophobicContact CZ-CD1 4.19Å; F459-Y491 HydrophobicContact CZ-CD2 4.37Å; F459-Y491 HydrophobicContact CZ-CG 4.12Å; F459-F497 HydrophobicContact CE1-CE2 4.48Å; F459-F497 HydrophobicContact CE2-CE2 4.41Å; F459-F497 AromaticContact CZ-CE2 3.95Å; F459-F497 HydrophobicContact CZ-CE2 3.95Å |
| 460 | H | 74.4 | Confident | 77.4 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -113.6 | 15.7 | -176.5 | -72.8 | -71.7 | 0 | 0 | 0 | 113.5 | R437 D455 P456 L457 | R437-H460 PolarHBondContact NH2-CE1 3.05Å; R437-H460 PolarHBondContact NH2-ND1 3.17Å; D455-H460 WeakPolarHBondContact CB-NE2 3.26Å; D455-H460 IonicContact OD1-NE2 3.7Å; D455-H460 IonicContact OD2-CE1 3.16Å; D455-H460 PolarHBondContact OD2-CE1 3.25Å; D455-H460 IonicContact OD2-NE2 2.67Å; D455-H460 PolarHBondContact OD2-NE2 2.94Å; P456-H460 PolarHBondContact O-CD2 2.85Å; L457-H460 PolarHBondContact O-N 2.94Å |
| 461 | G | 62.6 | Low | 77 | Confident | 32 Ų | 32 | 81.4 Ų | 81.4 | 33% | 0.33 | 41% | 0.406 | S | S | . | . | trans | -48.1 | 144.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D463 | G461-D463 PolarHBondContact O-N 3.47Å; G461-D463 VanDerWaalsContact O-N 3.08Å | ||
| 462 | C | 55.6 | Low | 77 | Confident | 136 Ų | 136 | 83 Ų | 83 | 92% | 0.919 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -60 | -18.7 | -175.1 | -68 | 0 | 0 | 0 | 0 | 114.2 | ||
| 463 | D | 55.7 | Low | 77 | Confident | 114 Ų | 114 | 82 Ų | 82 | 61% | 0.61 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -98.5 | 137.8 | 179.8 | -54.9 | -42.3 | 0 | 0 | 0 | 110.2 | G461 E465 A466 | G461-D463 PolarHBondContact O-N 3.47Å; G461-D463 VanDerWaalsContact O-N 3.08Å; D463-E465 HydrophobicContact CB-CG 4.49Å; D463-E465 PolarHBondContact O-N 3.16Å; D463-A466 PolarHBondContact O-N 2.99Å |
| 464 | D | 63.3 | Low | 77.2 | Confident | 114 Ų | 114 | 81.2 Ų | 81.2 | 61% | 0.61 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -49.1 | -18.5 | 177.5 | -77.1 | -33.1 | 0 | 0 | 0 | 113.9 | N467 R468 | D464-N467 PolarHBondContact O-N 3.1Å; D464-R468 WeakPolarHBondContact O-CG 3.39Å; D464-R468 PolarHBondContact O-N 2.88Å; D464-R468 VanDerWaalsContact O-N 3.14Å |
| 465 | E | 68.9 | Low | 77.3 | Confident | 127 Ų | 127 | 81.4 Ų | 81.4 | 59% | 0.593 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.3 | -43.5 | 174.3 | -60 | -168.4 | 167.1 | 0 | 0 | 113.7 | D463 N467 R468 L469 | D463-E465 HydrophobicContact CB-CG 4.49Å; D463-E465 PolarHBondContact O-N 3.16Å; E465-N467 VanDerWaalsContact C-N 3.33Å; E465-N467 PolarHBondContact O-N 2.91Å; E465-R468 WeakPolarHBondContact O-CB 3.44Å; E465-R468 PolarHBondContact O-N 2.8Å; E465-L469 WeakPolarHBondContact O-CG 3.38Å; E465-L469 PolarHBondContact O-N 2.77Å |
| 466 | A | 69.5 | Low | 77.5 | Confident | 13 Ų | 13 | 82 Ų | 82 | 11% | 0.107 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D463 R468 L469 Y470 | D463-A466 PolarHBondContact O-N 2.99Å; A466-R468 VanDerWaalsContact C-N 3.27Å; A466-R468 PolarHBondContact O-N 2.91Å; A466-L469 PolarHBondContact O-N 2.85Å; A466-Y470 HydrophobicContact CB-CD2 4.41Å; A466-Y470 VanDerWaalsContact O-CD2 3.27Å; A466-Y470 WeakPolarHBondContact O-CD2 3.44Å; A466-Y470 PolarHBondContact O-N 2.81Å |
| 467 | N | 68.1 | Low | 77.7 | Confident | 78 Ų | 78 | 82.2 Ų | 82.2 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.2 | -28.8 | 174.6 | -80.6 | -34.9 | 0 | 0 | 0 | 112.6 | D464 E465 K471 | D464-N467 PolarHBondContact O-N 3.1Å; E465-N467 VanDerWaalsContact C-N 3.33Å; E465-N467 PolarHBondContact O-N 2.91Å; N467-K471 WeakPolarHBondContact O-CB 3.37Å; N467-K471 PolarHBondContact O-N 2.69Å |
| 468 | R | 71.6 | Confident | 78.2 | Confident | 187 Ų | 187 | 76.3 Ų | 76.3 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -75.1 | -47.5 | 174.6 | -71.7 | 172.8 | -172.9 | 172.6 | 5 | 111.7 | D464 E465 A466 | D464-R468 WeakPolarHBondContact O-CG 3.39Å; D464-R468 PolarHBondContact O-N 2.88Å; D464-R468 VanDerWaalsContact O-N 3.14Å; E465-R468 WeakPolarHBondContact O-CB 3.44Å; E465-R468 PolarHBondContact O-N 2.8Å; A466-R468 VanDerWaalsContact C-N 3.27Å; A466-R468 PolarHBondContact O-N 2.91Å |
| 469 | L | 76.7 | Confident | 78.8 | Confident | 125 Ų | 125 | 74.5 Ų | 74.5 | 65% | 0.654 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.4 | -44.2 | -176.7 | -70.2 | 170.5 | 0 | 0 | 0 | 112.1 | E465 A466 | E465-L469 WeakPolarHBondContact O-CG 3.38Å; E465-L469 PolarHBondContact O-N 2.77Å; A466-L469 PolarHBondContact O-N 2.85Å |
| 470 | Y | 81.7 | Confident | 79.4 | Confident | 50 Ų | 50 | 74.8 Ų | 74.8 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 14.5 | -173.8 | -53.3 | -68.6 | 0 | 0 | 0 | 113.5 | K458 F459 A466 K472 T473 | K458-Y470 VanDerWaalsContact CE-OH 3.28Å; K458-Y470 WeakPolarHBondContact CE-OH 3.27Å; K458-Y470 HydrophobicContact CG-CE2 4.4Å; F459-Y470 AromaticContact CD1-CD1 3.63Å; F459-Y470 HydrophobicContact CD1-CD1 3.63Å; F459-Y470 AromaticContact CD1-CD2 3.69Å; F459-Y470 HydrophobicContact CD1-CD2 3.69Å; F459-Y470 HydrophobicContact CD1-CE1 4.16Å; F459-Y470 HydrophobicContact CD1-CE2 4.22Å; F459-Y470 AromaticContact CD1-CG 3.37Å; F459-Y470 HydrophobicContact CD1-CG 3.37Å; F459-Y470 AromaticContact CE1-CD1 3.57Å; F459-Y470 HydrophobicContact CE1-CD1 3.57Å; F459-Y470 HydrophobicContact CE1-CD2 4.42Å; F459-Y470 AromaticContact CE1-CE1 3.93Å; F459-Y470 HydrophobicContact CE1-CE1 3.93Å; F459-Y470 AromaticContact CE1-CG 3.84Å; F459-Y470 HydrophobicContact CE1-CG 3.84Å; F459-Y470 HydrophobicContact CG-CG 4.27Å; A466-Y470 HydrophobicContact CB-CD2 4.41Å; A466-Y470 VanDerWaalsContact O-CD2 3.27Å; A466-Y470 WeakPolarHBondContact O-CD2 3.44Å; A466-Y470 PolarHBondContact O-N 2.81Å; Y470-K472 PolarHBondContact O-N 2.87Å; Y470-T473 HydrophobicContact CD1-CG2 3.87Å; Y470-T473 HydrophobicContact CG-CG2 4.46Å; Y470-T473 PolarHBondContact O-N 3.4Å; Y470-T473 PolarHBondContact O-OG1 2.83Å |
| 471 | K | 78.7 | Confident | 80.4 | Confident | 172 Ų | 172 | 70.3 Ų | 70.3 | 75% | 0.748 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -36.7 | -179.3 | -159.9 | 171.4 | 175.8 | 175.9 | 0 | 113.2 | N467 | N467-K471 WeakPolarHBondContact O-CB 3.37Å; N467-K471 PolarHBondContact O-N 2.69Å |
| 472 | K | 85 | Confident | 81.7 | Confident | 191 Ų | 191 | 71.6 Ų | 71.6 | 83% | 0.83 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 4.8 | -175.2 | -64.6 | -174.6 | 179.2 | -179.6 | 0 | 112.9 | Y470 | Y470-K472 PolarHBondContact O-N 2.87Š|
| 473 | T | 90.9 | Very high | 83.4 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | trans | -72.9 | 140 | 177.4 | 59 | 0 | 0 | 0 | 0 | 110.5 | R437 Y470 N493 | R437-T473 WeakPolarHBondContact CB-O 3.36Å; Y470-T473 HydrophobicContact CD1-CG2 3.87Å; Y470-T473 HydrophobicContact CG-CG2 4.46Å; Y470-T473 PolarHBondContact O-N 3.4Å; Y470-T473 PolarHBondContact O-OG1 2.83Å; T473-N493 HydrophobicContact CG2-CB 3.86Å | ||
| 474 | V | 93.3 | Very high | 85.2 | Confident | 39 Ų | 39 | 61.7 Ų | 61.7 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | trans | -134.2 | 143.7 | -178.8 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | Y491 S492 | V474-Y491 WeakPolarHBondContact O-CA 3.46Å; V474-S492 PolarHBondContact N-OG 3.35Å; V474-S492 PolarHBondContact O-N 3.5Å | ||
| 475 | A | 94.6 | Very high | 86.7 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | I432 K436 V439 I489 Y491 | I432-A475 HydrophobicContact CD1-CB 4.11Å; I432-A475 HydrophobicContact CG1-CB 4.2Å; I432-A475 HydrophobicContact CG2-CB 4.03Å; I432-A475 WeakPolarHBondContact CG2-O 3.33Å; K436-A475 PolarHBondContact O-N 3.29Å; K436-A475 VanDerWaalsContact O-N 3.15Å; V439-A475 HydrophobicContact CG2-CB 3.51Å; A475-I489 HydrophobicContact CB-CG2 4.06Å; A475-Y491 HydrophobicContact CB-CD1 4.25Å; A475-Y491 HydrophobicContact CB-CE1 3.98Å |
| 476 | T | 94.5 | Very high | 88 | Confident | 38 Ų | 38 | 56 Ų | 56 | 23% | 0.233 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -45.1 | -172.3 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | G490 I520 | T476-G490 PolarHBondContact N-O 2.69Å; T476-G490 PolarHBondContact OG1-O 2.91Å; T476-G490 VanDerWaalsContact OG1-O 3.13Å; T476-I520 WeakPolarHBondContact CB-O 3.3Å; T476-I520 PolarHBondContact OG1-O 2.95Å |
| 477 | C | 94.9 | Very high | 89.2 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 152.8 | -179.5 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | G490 I520 L523 | C477-G490 PolarHBondContact O-N 3.44Å; C477-I520 VanDerWaalsContact SG-CG2 3.54Å; C477-L523 VanDerWaalsContact SG-CG 3.56Å |
| 478 | A | 95.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | H415 V430 I432 L488 I489 | H415-A478 PolarHBondContact CE1-O 2.74Å; H415-A478 PolarHBondContact ND1-O 3.28Å; V430-A478 HydrophobicContact CG1-CB 3.92Å; I432-A478 HydrophobicContact CD1-CB 3.75Å; I432-A478 HydrophobicContact CG1-CB 4.21Å; A478-L488 CarbonylContact C-O 3.51Å; A478-L488 WeakPolarHBondContact CA-O 3.34Å; A478-I489 HydrophobicContact CB-CG1 4.43Å |
| 479 | F | 95.9 | Very high | 91.8 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 132.3 | 175.2 | -171.2 | -92.2 | 0 | 0 | 0 | 110.1 | A487 L488 L523 A524 V525 F565 | F479-A487 CarbonylContact O-C 3.5Å; F479-A487 WeakPolarHBondContact O-CA 3.31Å; F479-L488 PolarHBondContact N-O 3.04Å; F479-L488 PolarHBondContact O-N 2.89Å; F479-L523 HydrophobicContact CB-CB 3.99Å; F479-L523 VanDerWaalsContact CD2-O 3.27Å; F479-L523 WeakPolarHBondContact CD2-O 3.29Å; F479-A524 HydrophobicContact CD2-CB 4.44Å; F479-A524 HydrophobicContact CE2-CB 4.27Å; F479-V525 HydrophobicContact CD1-CB 4.02Å; F479-V525 HydrophobicContact CD1-CG2 3.95Å; F479-V525 HydrophobicContact CE1-CB 3.7Å; F479-V525 HydrophobicContact CE1-CG2 4.18Å; F479-V525 VanDerWaalsContact CE1-N 3.28Å; F479-F565 HydrophobicContact CE2-CD1 4.09Å; F479-F565 HydrophobicContact CZ-CD1 4.1Å; F479-F565 HydrophobicContact CZ-CE1 4.4Å |
| 480 | L | 95.1 | Very high | 92.7 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.6 | 171 | -77.5 | 173.8 | 0 | 0 | 0 | 109.1 | A417 C419 S428 V430 A487 M501 | A417-L480 HydrophobicContact CB-CB 4.32Å; A417-L480 HydrophobicContact CB-CD1 4.29Å; A417-L480 HydrophobicContact CB-CG 4.09Å; A417-L480 WeakPolarHBondContact O-CD1 3.12Å; C419-L480 HydrophobicContact CB-CB 4.12Å; C419-L480 HydrophobicContact CB-CD1 4.38Å; S428-L480 WeakPolarHBondContact O-CD1 3.13Å; V430-L480 HydrophobicContact CB-CD1 4.41Å; V430-L480 HydrophobicContact CB-CG 4.44Å; V430-L480 HydrophobicContact CG2-CD1 4.03Å; V430-L480 HydrophobicContact CG2-CD2 3.75Å; V430-L480 HydrophobicContact CG2-CG 4.01Å; L480-A487 HydrophobicContact CD2-CB 3.74Å; L480-M501 HydrophobicContact CD2-CE 4.1Å; L480-M501 HydrophobicContact CD2-CG 3.66Å; L480-M501 HydrophobicContact CD2-SD 3.63Å |
| 481 | T | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -59.7 | 144.9 | 173.1 | 54.6 | 0 | 0 | 0 | 0 | 110.9 | C419 C483 G484 Y486 L488 V525 F545 | C419-T481 PolarHBondContact SG-O 3.18Å; T481-C483 PolarHBondContact O-N 3.29Å; T481-C483 VanDerWaalsContact O-N 3.1Å; T481-C483 PolarHBondContact OG1-SG 2.91Å; T481-G484 PolarHBondContact O-N 3.48Å; T481-Y486 HydrophobicContact CG2-CD2 4.48Å; T481-Y486 PolarHBondContact N-O 3.35Å; T481-Y486 PolarHBondContact OG1-N 3.18Å; T481-Y486 VanDerWaalsContact OG1-N 3.12Å; T481-Y486 PolarHBondContact OG1-O 2.8Å; T481-Y486 VanDerWaalsContact OG1-O 3.05Å; T481-L488 HydrophobicContact CG2-CD1 4.02Å; T481-V525 HydrophobicContact CG2-CB 4.3Å; T481-V525 HydrophobicContact CG2-CG1 4.27Å; T481-V525 HydrophobicContact CG2-CG2 4.29Å; T481-F545 HydrophobicContact CG2-CE2 3.89Å; T481-F545 HydrophobicContact CG2-CZ 4.07Å | ||
| 482 | N | 91.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 28.2 Ų | 28.2 | 31% | 0.31 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.9 | -178.2 | -75.7 | -1.9 | 0 | 0 | 0 | 113.9 | C419 T421 G484 N527 | C419-N482 PolarHBondContact SG-O 3.42Å; T421-N482 WeakPolarHBondContact CB-O 3.28Å; T421-N482 WeakPolarHBondContact CG2-O 3.46Å; T421-N482 PolarHBondContact OG1-O 2.83Å; N482-G484 VanDerWaalsContact C-N 3.26Å; N482-G484 PolarHBondContact O-N 2.73Å; N482-N527 PolarHBondContact ND2-OD1 2.86Å |
| 483 | C | 91.8 | Very high | 94.4 | Very high | 36 Ų | 36 | 20.9 Ų | 20.9 | 24% | 0.243 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -10 | 170.2 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | T421 R422 T481 N485 N529 | T421-C483 PolarHBondContact OG1-O 3.4Å; R422-C483 WeakPolarHBondContact CG-O 3.48Å; T481-C483 PolarHBondContact O-N 3.29Å; T481-C483 VanDerWaalsContact O-N 3.1Å; T481-C483 PolarHBondContact OG1-SG 2.91Å; C483-N485 PolarHBondContact O-N 2.87Å; C483-N529 PolarHBondContact SG-ND2 3.23Å; C483-N529 VanDerWaalsContact SG-ND2 3.42Å |
| 484 | G | 92.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 20.3 Ų | 20.3 | 7% | 0.072 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 76.4 | 0.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T421 W426 T481 N482 | T421-G484 PolarHBondContact OG1-N 2.68Å; W426-G484 PolarHBondContact NE1-O 3.44Å; T481-G484 PolarHBondContact O-N 3.48Å; N482-G484 VanDerWaalsContact C-N 3.26Å; N482-G484 PolarHBondContact O-N 2.73Å |
| 485 | N | 94.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 18.6 Ų | 18.6 | 29% | 0.294 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -86.9 | -33 | -174.2 | -68.6 | -24.7 | 0 | 0 | 0 | 113.5 | W426 C483 N500 M501 | W426-N485 WeakPolarHBondContact CZ2-OD1 3.36Å; C483-N485 PolarHBondContact O-N 2.87Å; N485-N500 CarbonylContact O-C 3.51Å; N485-N500 WeakPolarHBondContact O-CA 3.13Å; N485-N500 PolarHBondContact O-OD1 2.88Å; N485-M501 PolarHBondContact O-N 3.46Å |
| 486 | Y | 95.6 | Very high | 94.5 | Very high | 65 Ų | 65 | 18.5 Ų | 18.5 | 26% | 0.255 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.2 | -171.3 | -55.3 | -78.5 | 0 | 0 | 0 | 112.3 | T481 K498 F499 R507 F545 | T481-Y486 HydrophobicContact CG2-CD2 4.48Å; T481-Y486 PolarHBondContact N-O 3.35Å; T481-Y486 PolarHBondContact OG1-N 3.18Å; T481-Y486 VanDerWaalsContact OG1-N 3.12Å; T481-Y486 PolarHBondContact OG1-O 2.8Å; T481-Y486 VanDerWaalsContact OG1-O 3.05Å; Y486-K498 HydrophobicContact CD1-CD 4.47Å; Y486-K498 HydrophobicContact CD1-CG 4.2Å; Y486-F499 CarbonylContact C-O 3.57Å; Y486-F499 VanDerWaalsContact CA-O 3.25Å; Y486-F499 WeakPolarHBondContact CA-O 3.43Å; Y486-R507 HydrophobicContact CE1-CG 4.41Å; Y486-F545 HydrophobicContact CD2-CE1 4.19Å; Y486-F545 AromaticContact CD2-CZ 3.61Å; Y486-F545 HydrophobicContact CD2-CZ 3.61Å; Y486-F545 HydrophobicContact CE2-CE1 4.16Å; Y486-F545 HydrophobicContact CE2-CZ 4.04Å; Y486-F545 HydrophobicContact CG-CZ 4.05Å |
| 487 | A | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V430 F479 L480 F499 M501 | V430-A487 HydrophobicContact CG2-CB 4.28Å; F479-A487 CarbonylContact O-C 3.5Å; F479-A487 WeakPolarHBondContact O-CA 3.31Å; L480-A487 HydrophobicContact CD2-CB 3.74Å; A487-F499 PolarHBondContact N-O 2.8Å; A487-F499 PolarHBondContact O-N 3.35Å; A487-M501 HydrophobicContact CB-CG 4.04Å; A487-M501 HydrophobicContact CB-SD 3.52Å; A487-M501 VanDerWaalsContact CB-SD 3.52Å |
| 488 | L | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.4 | 170.2 | -71.2 | 80.9 | 0 | 0 | 0 | 108.5 | A478 F479 T481 F497 K498 Y510 L523 V525 T532 F545 | A478-L488 CarbonylContact C-O 3.51Å; A478-L488 WeakPolarHBondContact CA-O 3.34Å; F479-L488 PolarHBondContact N-O 3.04Å; F479-L488 PolarHBondContact O-N 2.89Å; T481-L488 HydrophobicContact CG2-CD1 4.02Å; L488-F497 CarbonylContact C-O 3.49Å; L488-F497 VanDerWaalsContact CA-O 3.31Å; L488-F497 WeakPolarHBondContact CA-O 3.42Å; L488-K498 HydrophobicContact CG-CB 4.46Å; L488-Y510 HydrophobicContact CD2-CE2 3.69Å; L488-L523 HydrophobicContact CB-CD1 4.19Å; L488-V525 HydrophobicContact CD1-CG2 3.83Å; L488-V525 HydrophobicContact CD2-CG2 3.86Å; L488-V525 HydrophobicContact CG-CG2 4.5Å; L488-T532 HydrophobicContact CD2-CG2 3.44Å; L488-T532 VanDerWaalsContact CD2-CG2 3.44Å; L488-F545 HydrophobicContact CD1-CE2 4.27Å |
| 489 | I | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.6 | -179.1 | -57.6 | 169.3 | 0 | 0 | 0 | 108.4 | V439 F454 A475 A478 Y491 V496 F497 F499 | V439-I489 HydrophobicContact CB-CD1 3.79Å; V439-I489 HydrophobicContact CG1-CD1 4.16Å; V439-I489 HydrophobicContact CG2-CD1 3.8Å; V439-I489 HydrophobicContact CG2-CG1 4.36Å; V439-I489 HydrophobicContact CG2-CG2 3.74Å; F454-I489 HydrophobicContact CB-CD1 3.36Å; F454-I489 HydrophobicContact CD2-CD1 3.98Å; F454-I489 HydrophobicContact CG-CD1 3.83Å; A475-I489 HydrophobicContact CB-CG2 4.06Å; A478-I489 HydrophobicContact CB-CG1 4.43Å; I489-Y491 HydrophobicContact CB-CE2 4.04Å; I489-Y491 HydrophobicContact CG2-CD2 4.29Å; I489-Y491 HydrophobicContact CG2-CE1 4.31Å; I489-Y491 HydrophobicContact CG2-CE2 3.56Å; I489-V496 WeakPolarHBondContact O-CA 3.29Å; I489-F497 PolarHBondContact N-O 3.45Å; I489-F497 PolarHBondContact O-N 2.83Å; I489-F499 HydrophobicContact CD1-CD2 3.76Å; I489-F499 HydrophobicContact CD1-CE2 3.85Å; I489-F499 HydrophobicContact CG1-CD2 4.33Å |
| 490 | G | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | T476 C477 | T476-G490 PolarHBondContact N-O 2.69Å; T476-G490 PolarHBondContact OG1-O 2.91Å; T476-G490 VanDerWaalsContact OG1-O 3.13Å; C477-G490 PolarHBondContact O-N 3.44Å |
| 491 | Y | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 159.2 | -176.3 | -68.1 | -89.2 | 0 | 0 | 0 | 112 | R437 P456 F459 V474 A475 I489 N493 G494 D495 F497 I520 | R437-Y491 HydrophobicContact CB-CE1 4.34Å; R437-Y491 WeakPolarHBondContact O-CE1 3.33Å; P456-Y491 WeakPolarHBondContact CD-OH 3.15Å; P456-Y491 HydrophobicContact CG-CE1 4.43Å; P456-Y491 HydrophobicContact CG-CE2 3.66Å; P456-Y491 WeakPolarHBondContact CG-OH 3.38Å; F459-Y491 AromaticContact CE2-CD1 3.73Å; F459-Y491 HydrophobicContact CE2-CD1 3.73Å; F459-Y491 HydrophobicContact CE2-CD2 4.31Å; F459-Y491 AromaticContact CE2-CE1 3.68Å; F459-Y491 HydrophobicContact CE2-CE1 3.68Å; F459-Y491 HydrophobicContact CE2-CE2 4.3Å; F459-Y491 HydrophobicContact CE2-CG 4.06Å; F459-Y491 AromaticContact CE2-CZ 3.99Å; F459-Y491 HydrophobicContact CZ-CD1 4.19Å; F459-Y491 HydrophobicContact CZ-CD2 4.37Å; F459-Y491 HydrophobicContact CZ-CG 4.12Å; V474-Y491 WeakPolarHBondContact O-CA 3.46Å; A475-Y491 HydrophobicContact CB-CD1 4.25Å; A475-Y491 HydrophobicContact CB-CE1 3.98Å; I489-Y491 HydrophobicContact CB-CE2 4.04Å; I489-Y491 HydrophobicContact CG2-CD2 4.29Å; I489-Y491 HydrophobicContact CG2-CE1 4.31Å; I489-Y491 HydrophobicContact CG2-CE2 3.56Å; Y491-N493 WeakPolarHBondContact CB-OD1 3.34Å; Y491-N493 PolarHBondContact O-N 2.87Å; Y491-N493 VanDerWaalsContact O-N 3.14Å; Y491-G494 PolarHBondContact O-N 3.31Å; Y491-G494 VanDerWaalsContact O-N 3.08Å; Y491-D495 WeakPolarHBondContact CD2-O 3.32Å; Y491-D495 PolarHBondContact N-O 2.88Å; Y491-F497 AromaticContact CD2-CD2 3.84Å; Y491-F497 HydrophobicContact CD2-CD2 3.84Å; Y491-F497 HydrophobicContact CD2-CE2 4.32Å; Y491-F497 AromaticContact CE2-CD2 3.6Å; Y491-F497 HydrophobicContact CE2-CD2 3.6Å; Y491-F497 HydrophobicContact CE2-CE2 4.33Å; Y491-I520 PolarHBondContact O-N 3.08Å |
| 492 | S | 93.9 | Very high | 94.5 | Very high | 42 Ų | 42 | 21.9 Ų | 21.9 | 29% | 0.294 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.2 | 179.9 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | V474 S519 | V474-S492 PolarHBondContact N-OG 3.35Å; V474-S492 PolarHBondContact O-N 3.5Å; S492-S519 WeakPolarHBondContact O-CA 3.49Å |
| 493 | N | 91.2 | Very high | 94.6 | Very high | 37 Ų | 37 | 21.2 Ų | 21.2 | 20% | 0.198 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 2.3 | 175.6 | 67.7 | -19.5 | 0 | 0 | 0 | 113.9 | T473 Y491 D495 | T473-N493 HydrophobicContact CG2-CB 3.86Å; Y491-N493 WeakPolarHBondContact CB-OD1 3.34Å; Y491-N493 PolarHBondContact O-N 2.87Å; Y491-N493 VanDerWaalsContact O-N 3.14Å; N493-D495 PolarHBondContact ND2-OD2 2.9Å; N493-D495 WeakPolarHBondContact OD1-CB 3.39Å; N493-D495 PolarHBondContact OD1-N 2.61Å; N493-D495 VanDerWaalsContact OD1-N 3.14Å |
| 494 | G | 92.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 86.1 | 6.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y491 A515 H516 C518 I520 | Y491-G494 PolarHBondContact O-N 3.31Å; Y491-G494 VanDerWaalsContact O-N 3.08Å; G494-A515 WeakPolarHBondContact O-CB 3.44Å; G494-A515 PolarHBondContact O-N 3.28Å; G494-H516 PolarHBondContact O-N 2.81Å; G494-H516 VanDerWaalsContact O-N 3.08Å; G494-C518 WeakPolarHBondContact CA-O 3.44Å; G494-C518 PolarHBondContact N-O 2.79Å; G494-I520 WeakPolarHBondContact O-CD1 3.16Å |
| 495 | D | 93.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | trans | -81.2 | 137.1 | 172.3 | -77.1 | -37.3 | 0 | 0 | 0 | 112 | K458 Y491 N493 F497 T514 I520 | K458-D495 IonicContact NZ-OD1 3.33Å; K458-D495 PolarHBondContact NZ-OD1 2.93Å; K458-D495 IonicContact NZ-OD2 3.76Å; K458-D495 PolarHBondContact NZ-OD2 3.15Å; Y491-D495 WeakPolarHBondContact CD2-O 3.32Å; Y491-D495 PolarHBondContact N-O 2.88Å; N493-D495 PolarHBondContact ND2-OD2 2.9Å; N493-D495 WeakPolarHBondContact OD1-CB 3.39Å; N493-D495 PolarHBondContact OD1-N 2.61Å; N493-D495 VanDerWaalsContact OD1-N 3.14Å; D495-F497 HydrophobicContact CB-CD2 4.17Å; D495-F497 HydrophobicContact CB-CE2 3.59Å; D495-F497 HydrophobicContact CB-CZ 4.34Å; D495-T514 WeakPolarHBondContact OD1-CG2 3.48Å; D495-I520 WeakPolarHBondContact O-CD1 2.96Å | ||
| 496 | V | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.7 | 169.7 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | I489 S509 Y510 A515 I520 L523 T534 | I489-V496 WeakPolarHBondContact O-CA 3.29Å; V496-S509 VanDerWaalsContact O-CA 3.3Å; V496-S509 WeakPolarHBondContact O-CA 3.3Å; V496-Y510 HydrophobicContact CB-CD2 3.84Å; V496-Y510 HydrophobicContact CB-CG 4.45Å; V496-Y510 HydrophobicContact CG1-CD2 3.57Å; V496-Y510 HydrophobicContact CG1-CE2 4.05Å; V496-Y510 PolarHBondContact O-N 3.46Å; V496-Y510 VanDerWaalsContact O-N 3.07Å; V496-A515 HydrophobicContact CB-CB 4.33Å; V496-A515 HydrophobicContact CG2-CB 3.82Å; V496-I520 HydrophobicContact CB-CD1 4.44Å; V496-I520 HydrophobicContact CG2-CD1 3.32Å; V496-I520 HydrophobicContact CG2-CG1 4.07Å; V496-L523 HydrophobicContact CG1-CD1 4.03Å; V496-L523 HydrophobicContact CG1-CD2 3.75Å; V496-L523 HydrophobicContact CG2-CD2 3.87Å; V496-T534 HydrophobicContact CG2-CG2 3.9Å |
| 497 | F | 95.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.3 | 177.8 | -69.3 | -83.6 | 0 | 0 | 0 | 111.6 | P456 K458 F459 L488 I489 Y491 D495 F499 E506 | P456-F497 HydrophobicContact CB-CD1 4.03Å; P456-F497 HydrophobicContact CB-CD2 3.72Å; P456-F497 HydrophobicContact CB-CE1 3.88Å; P456-F497 HydrophobicContact CB-CE2 3.54Å; P456-F497 HydrophobicContact CB-CG 3.94Å; P456-F497 HydrophobicContact CB-CZ 3.63Å; P456-F497 HydrophobicContact CG-CB 4.33Å; P456-F497 HydrophobicContact CG-CD1 4.37Å; P456-F497 HydrophobicContact CG-CD2 3.35Å; P456-F497 HydrophobicContact CG-CE2 3.57Å; P456-F497 HydrophobicContact CG-CG 3.77Å; P456-F497 HydrophobicContact CG-CZ 4.19Å; K458-F497 HydrophobicContact CB-CZ 3.97Å; K458-F497 HydrophobicContact CD-CZ 3.86Å; F459-F497 HydrophobicContact CE1-CE2 4.48Å; F459-F497 HydrophobicContact CE2-CE2 4.41Å; F459-F497 AromaticContact CZ-CE2 3.95Å; F459-F497 HydrophobicContact CZ-CE2 3.95Å; L488-F497 CarbonylContact C-O 3.49Å; L488-F497 VanDerWaalsContact CA-O 3.31Å; L488-F497 WeakPolarHBondContact CA-O 3.42Å; I489-F497 PolarHBondContact N-O 3.45Å; I489-F497 PolarHBondContact O-N 2.83Å; Y491-F497 AromaticContact CD2-CD2 3.84Å; Y491-F497 HydrophobicContact CD2-CD2 3.84Å; Y491-F497 HydrophobicContact CD2-CE2 4.32Å; Y491-F497 AromaticContact CE2-CD2 3.6Å; Y491-F497 HydrophobicContact CE2-CD2 3.6Å; Y491-F497 HydrophobicContact CE2-CE2 4.33Å; D495-F497 HydrophobicContact CB-CD2 4.17Å; D495-F497 HydrophobicContact CB-CE2 3.59Å; D495-F497 HydrophobicContact CB-CZ 4.34Å; F497-F499 HydrophobicContact CB-CD2 4.26Å; F497-F499 HydrophobicContact CB-CE2 3.55Å; F497-F499 HydrophobicContact CB-CZ 4.11Å; F497-E506 HydrophobicContact CD1-CG 4.2Å; F497-E506 WeakPolarHBondContact CD1-OE1 3.46Å; F497-E506 VanDerWaalsContact CE1-OE1 3.29Å; F497-E506 WeakPolarHBondContact CE1-OE1 3.46Å |
| 498 | K | 95.6 | Very high | 94.2 | Very high | 11 Ų | 11 | 29.6 Ų | 29.6 | 5% | 0.048 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.2 | 176.9 | -179.7 | -178.9 | 178.9 | 176.7 | 0 | 109.1 | Y486 L488 R507 G508 Y510 F545 | Y486-K498 HydrophobicContact CD1-CD 4.47Å; Y486-K498 HydrophobicContact CD1-CG 4.2Å; L488-K498 HydrophobicContact CG-CB 4.46Å; K498-R507 HydrophobicContact CG-CB 4.46Å; K498-R507 PolarHBondContact O-N 2.81Å; K498-G508 WeakPolarHBondContact CB-O 3.25Å; K498-G508 PolarHBondContact N-O 2.94Å; K498-G508 PolarHBondContact O-N 3.42Å; K498-Y510 HydrophobicContact CB-CE2 4.36Å; K498-F545 HydrophobicContact CD-CE2 4.5Å; K498-F545 HydrophobicContact CD-CZ 4.49Å; K498-F545 VanDerWaalsContact NZ-CZ 3.29Å; K498-F545 PolarHBondContact NZ-O 2.88Å |
| 499 | F | 96 | Very high | 94 | Very high | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.022 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 149.4 | 177 | -67.1 | -87.6 | 0 | 0 | 0 | 111.1 | F454 P456 Y486 A487 I489 F497 L505 E506 | F454-F499 HydrophobicContact CB-CD1 4.37Å; F454-F499 HydrophobicContact CB-CD2 4.14Å; F454-F499 HydrophobicContact CB-CE1 4.34Å; F454-F499 HydrophobicContact CB-CE2 4.1Å; F454-F499 HydrophobicContact CB-CG 4.26Å; F454-F499 HydrophobicContact CB-CZ 4.21Å; F454-F499 HydrophobicContact CD1-CB 3.57Å; F454-F499 AromaticContact CD1-CD1 3.6Å; F454-F499 HydrophobicContact CD1-CD1 3.6Å; F454-F499 HydrophobicContact CD1-CD2 4.14Å; F454-F499 HydrophobicContact CD1-CE1 4.32Å; F454-F499 AromaticContact CD1-CG 3.49Å; F454-F499 HydrophobicContact CD1-CG 3.49Å; F454-F499 VanDerWaalsContact CD1-CG 3.49Å; F454-F499 HydrophobicContact CE1-CB 3.67Å; F454-F499 HydrophobicContact CE1-CD1 4.38Å; F454-F499 HydrophobicContact CE1-CG 4.13Å; F454-F499 HydrophobicContact CG-CB 4.41Å; F454-F499 HydrophobicContact CG-CD1 4.4Å; F454-F499 HydrophobicContact CG-CD2 4.32Å; F454-F499 HydrophobicContact CG-CG 4.12Å; P456-F499 HydrophobicContact CB-CZ 4.43Å; P456-F499 HydrophobicContact CG-CE2 4.41Å; P456-F499 HydrophobicContact CG-CZ 3.97Å; Y486-F499 CarbonylContact C-O 3.57Å; Y486-F499 VanDerWaalsContact CA-O 3.25Å; Y486-F499 WeakPolarHBondContact CA-O 3.43Å; A487-F499 PolarHBondContact N-O 2.8Å; A487-F499 PolarHBondContact O-N 3.35Å; I489-F499 HydrophobicContact CD1-CD2 3.76Å; I489-F499 HydrophobicContact CD1-CE2 3.85Å; I489-F499 HydrophobicContact CG1-CD2 4.33Å; F497-F499 HydrophobicContact CB-CD2 4.26Å; F497-F499 HydrophobicContact CB-CE2 3.55Å; F497-F499 HydrophobicContact CB-CZ 4.11Å; F499-L505 WeakPolarHBondContact CA-O 3.47Å; F499-E506 HydrophobicContact CD1-CB 4.14Å; F499-E506 HydrophobicContact CE1-CB 3.85Å; F499-E506 HydrophobicContact CE1-CG 4.22Å |
| 500 | N | 95.7 | Very high | 93.8 | Very high | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.102 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124 | 167.5 | -176.6 | -31.4 | 0 | 0 | 0 | 109.3 | N485 Q502 S503 G504 L505 R507 | N485-N500 CarbonylContact O-C 3.51Å; N485-N500 WeakPolarHBondContact O-CA 3.13Å; N485-N500 PolarHBondContact O-OD1 2.88Å; N500-Q502 VanDerWaalsContact C-N 3.33Å; N500-Q502 PolarHBondContact O-N 3.27Å; N500-Q502 WeakPolarHBondContact OD1-CB 3.35Å; N500-Q502 PolarHBondContact OD1-N 3.08Å; N500-S503 PolarHBondContact OD1-N 3.13Å; N500-G504 VanDerWaalsContact O-CA 3.3Å; N500-G504 WeakPolarHBondContact O-CA 3.37Å; N500-G504 PolarHBondContact O-N 3.37Å; N500-L505 PolarHBondContact N-O 2.79Å; N500-R507 HydrophobicContact CB-CG 3.87Å |
| 501 | M | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -28.4 | -178.8 | -76.7 | -60 | -65.4 | 0 | 0 | 113.9 | D427 V430 H452 F454 L480 N485 A487 | D427-M501 HydrophobicContact CB-CE 3.84Å; D427-M501 WeakPolarHBondContact O-CE 3.5Å; V430-M501 HydrophobicContact CG2-CE 3.76Å; V430-M501 HydrophobicContact CG2-SD 3.73Å; H452-M501 PolarHBondContact CD2-O 3.14Å; H452-M501 VanDerWaalsContact CD2-O 3.31Å; F454-M501 HydrophobicContact CE1-SD 4.48Å; F454-M501 HydrophobicContact CE2-SD 3.87Å; F454-M501 HydrophobicContact CZ-CE 4.35Å; F454-M501 HydrophobicContact CZ-SD 3.46Å; F454-M501 WeakPolarHBondContact CZ-SD 3.41Å; L480-M501 HydrophobicContact CD2-CE 4.1Å; L480-M501 HydrophobicContact CD2-CG 3.66Å; L480-M501 HydrophobicContact CD2-SD 3.63Å; N485-M501 PolarHBondContact O-N 3.46Å; A487-M501 HydrophobicContact CB-CG 4.04Å; A487-M501 HydrophobicContact CB-SD 3.52Å; A487-M501 VanDerWaalsContact CB-SD 3.52Å |
| 502 | Q | 94.1 | Very high | 92.6 | Very high | 117 Ų | 117 | 38.9 Ų | 38.9 | 55% | 0.547 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -41.3 | 179.5 | -176.5 | -172 | 0.1 | 0 | 0 | 112 | W426 H452 N500 | W426-Q502 HydrophobicContact CD2-CB 3.99Å; W426-Q502 HydrophobicContact CD2-CG 4.23Å; W426-Q502 HydrophobicContact CE3-CB 4.07Å; W426-Q502 HydrophobicContact CE3-CG 3.84Å; W426-Q502 HydrophobicContact CG-CB 4.34Å; W426-Q502 HydrophobicContact CZ3-CB 4.46Å; W426-Q502 HydrophobicContact CZ3-CG 4.22Å; H452-Q502 PolarHBondContact NE2-O 2.99Å; N500-Q502 VanDerWaalsContact C-N 3.33Å; N500-Q502 PolarHBondContact O-N 3.27Å; N500-Q502 WeakPolarHBondContact OD1-CB 3.35Å; N500-Q502 PolarHBondContact OD1-N 3.08Å |
| 503 | S | 93.5 | Very high | 91.9 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 31% | 0.308 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -14.9 | -174.4 | 72.4 | 0 | 0 | 0 | 0 | 113.8 | N500 L505 | N500-S503 PolarHBondContact OD1-N 3.13Å; S503-L505 PolarHBondContact O-N 2.89Å; S503-L505 WeakPolarHBondContact OG-CB 3.3Å; S503-L505 PolarHBondContact OG-N 2.88Å |
| 504 | G | 92.1 | Very high | 91.6 | Very high | 18 Ų | 18 | 42 Ų | 42 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | trans | 72 | 4.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N500 | N500-G504 VanDerWaalsContact O-CA 3.3Å; N500-G504 WeakPolarHBondContact O-CA 3.37Å; N500-G504 PolarHBondContact O-N 3.37Å | ||
| 505 | L | 93.9 | Very high | 91.5 | Very high | 104 Ų | 104 | 42 Ų | 42 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | trans | -91.3 | 144.8 | -171.6 | -63.2 | 174.9 | 0 | 0 | 0 | 111.9 | F499 N500 S503 | F499-L505 WeakPolarHBondContact CA-O 3.47Å; N500-L505 PolarHBondContact N-O 2.79Å; S503-L505 PolarHBondContact O-N 2.89Å; S503-L505 WeakPolarHBondContact OG-CB 3.3Å; S503-L505 PolarHBondContact OG-N 2.88Å | ||
| 506 | E | 94.1 | Very high | 91.4 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 27% | 0.271 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 130.7 | 169.9 | -166 | -177.9 | 146.5 | 0 | 0 | 110 | L457 F497 F499 | L457-E506 PolarHBondContact N-OE2 3.36Å; F497-E506 HydrophobicContact CD1-CG 4.2Å; F497-E506 WeakPolarHBondContact CD1-OE1 3.46Å; F497-E506 VanDerWaalsContact CE1-OE1 3.29Å; F497-E506 WeakPolarHBondContact CE1-OE1 3.46Å; F499-E506 HydrophobicContact CD1-CB 4.14Å; F499-E506 HydrophobicContact CE1-CB 3.85Å; F499-E506 HydrophobicContact CE1-CG 4.22Å |
| 507 | R | 93 | Very high | 91 | Very high | 141 Ų | 141 | 50 Ų | 50 | 53% | 0.532 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -12 | 179.2 | -66.8 | -62.2 | -176.6 | 163.7 | -1.4 | 113.1 | Y486 K498 N500 | Y486-R507 HydrophobicContact CE1-CG 4.41Å; K498-R507 HydrophobicContact CG-CB 4.46Å; K498-R507 PolarHBondContact O-N 2.81Å; N500-R507 HydrophobicContact CB-CG 3.87Å |
| 508 | G | 90.9 | Very high | 90.8 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 19% | 0.186 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.1 | 174.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K498 | K498-G508 WeakPolarHBondContact CB-O 3.25Å; K498-G508 PolarHBondContact N-O 2.94Å; K498-G508 PolarHBondContact O-N 3.42Å |
| 509 | S | 92.5 | Very high | 90.7 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 163.9 | 177.6 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | V496 H548 | V496-S509 VanDerWaalsContact O-CA 3.3Å; V496-S509 WeakPolarHBondContact O-CA 3.3Å; S509-H548 PolarHBondContact O-ND1 3.46Å |
| 510 | Y | 92.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 139.6 | 172.6 | -63.3 | -91.8 | 0 | 0 | 0 | 110.5 | L488 V496 K498 A515 T532 W543 H548 | L488-Y510 HydrophobicContact CD2-CE2 3.69Å; V496-Y510 HydrophobicContact CB-CD2 3.84Å; V496-Y510 HydrophobicContact CB-CG 4.45Å; V496-Y510 HydrophobicContact CG1-CD2 3.57Å; V496-Y510 HydrophobicContact CG1-CE2 4.05Å; V496-Y510 PolarHBondContact O-N 3.46Å; V496-Y510 VanDerWaalsContact O-N 3.07Å; K498-Y510 HydrophobicContact CB-CE2 4.36Å; Y510-A515 WeakPolarHBondContact O-CB 3.46Å; Y510-A515 PolarHBondContact O-N 3.25Å; Y510-T532 HydrophobicContact CE1-CG2 4.12Å; Y510-T532 HydrophobicContact CE2-CG2 4.25Å; Y510-T532 PolarHBondContact OH-OG1 3.11Å; Y510-W543 HydrophobicContact CD1-CB 3.74Å; Y510-W543 HydrophobicContact CD1-CD2 4.02Å; Y510-W543 HydrophobicContact CD1-CE3 4.29Å; Y510-W543 AromaticContact CD1-CG 3.78Å; Y510-W543 HydrophobicContact CD1-CG 3.78Å; Y510-W543 HydrophobicContact CE1-CB 3.88Å; Y510-W543 HydrophobicContact CE1-CG 4.36Å; Y510-H548 HydrophobicContact CD1-CB 4Å; Y510-H548 HydrophobicContact CE1-CB 4.16Å; Y510-H548 AromaticContact CE1-CD2 3.88Å |
| 511 | G | 84.9 | Confident | 90.6 | Very high | 25 Ų | 25 | 53.1 Ų | 53.1 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 82.4 | 166.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 512 | S | 79.3 | Confident | 90.6 | Very high | 119 Ų | 119 | 53.4 Ų | 53.4 | 83% | 0.832 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -141.6 | 99.5 | 177.7 | 56.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 513 | P | 79.1 | Confident | 90.7 | Very high | 109 Ų | 109 | 48.6 Ų | 48.6 | 71% | 0.708 | 29% | 0.285 | S | S | * | . | S | Bend | cis | -90.2 | -19.2 | 7.3 | 34.2 | -35.3 | 0 | 0 | 0 | 116.3 | K458 | K458-P513 PolarHBondContact NZ-O 3.45Š|
| 514 | T | 86.4 | Confident | 90.8 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | trans | -129 | 158.1 | -179.1 | 60.4 | 0 | 0 | 0 | 0 | 109.9 | D495 H516 | D495-T514 WeakPolarHBondContact OD1-CG2 3.48Å; T514-H516 WeakPolarHBondContact CB-O 3.5Å; T514-H516 PolarHBondContact OG1-O 3.07Å | ||
| 515 | A | 89 | Confident | 90.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -76.6 | -32.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G494 V496 Y510 R541 W543 | G494-A515 WeakPolarHBondContact O-CB 3.44Å; G494-A515 PolarHBondContact O-N 3.28Å; V496-A515 HydrophobicContact CB-CB 4.33Å; V496-A515 HydrophobicContact CG2-CB 3.82Å; Y510-A515 WeakPolarHBondContact O-CB 3.46Å; Y510-A515 PolarHBondContact O-N 3.25Å; A515-R541 WeakPolarHBondContact O-CD 3.11Å; A515-R541 PolarHBondContact O-NH1 2.83Å; A515-W543 HydrophobicContact CB-CZ2 3.98Å |
| 516 | H | 92.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | trans | -136.2 | 160.5 | 177 | -73.8 | -95 | 0 | 0 | 0 | 110.1 | G494 T514 T534 G536 E539 | G494-H516 PolarHBondContact O-N 2.81Å; G494-H516 VanDerWaalsContact O-N 3.08Å; T514-H516 WeakPolarHBondContact CB-O 3.5Å; T514-H516 PolarHBondContact OG1-O 3.07Å; H516-T534 WeakPolarHBondContact NE2-CB 3.42Å; H516-T534 PolarHBondContact NE2-O 3.26Å; H516-T534 PolarHBondContact NE2-OG1 3.3Å; H516-G536 PolarHBondContact CE1-N 3.22Å; H516-G536 VanDerWaalsContact CE1-N 3.35Å; H516-E539 PolarHBondContact CE1-O 3.05Å; H516-E539 WeakPolarHBondContact ND1-CG 3.42Å; H516-E539 IonicContact ND1-OE1 2.72Å | ||
| 517 | F | 87.2 | Confident | 90.6 | Very high | 170 Ų | 170 | 41.7 Ų | 41.7 | 75% | 0.746 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -83.6 | -24 | 171.3 | -63 | -72.4 | 0 | 0 | 0 | 112.6 | ||
| 518 | C | 89.6 | Confident | 90.5 | Very high | 45 Ų | 45 | 39.2 Ų | 39.2 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -108.2 | 177.9 | 178.7 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | G494 E537 | G494-C518 WeakPolarHBondContact CA-O 3.44Å; G494-C518 PolarHBondContact N-O 2.79Å; C518-E537 HydrophobicContact CB-CB 3.96Å; C518-E537 HydrophobicContact CB-CG 3.92Å |
| 519 | S | 93.5 | Very high | 90.6 | Very high | 26 Ų | 26 | 39.5 Ų | 39.5 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | trans | -58.4 | 138.4 | 175.1 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | S492 | S492-S519 WeakPolarHBondContact O-CA 3.49Š| ||
| 520 | I | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 127.6 | 172.5 | -63 | 141.8 | 0 | 0 | 0 | 108.4 | T476 C477 Y491 G494 D495 V496 L523 | T476-I520 WeakPolarHBondContact CB-O 3.3Å; T476-I520 PolarHBondContact OG1-O 2.95Å; C477-I520 VanDerWaalsContact SG-CG2 3.54Å; Y491-I520 PolarHBondContact O-N 3.08Å; G494-I520 WeakPolarHBondContact O-CD1 3.16Å; D495-I520 WeakPolarHBondContact O-CD1 2.96Å; V496-I520 HydrophobicContact CB-CD1 4.44Å; V496-I520 HydrophobicContact CG2-CD1 3.32Å; V496-I520 HydrophobicContact CG2-CG1 4.07Å; I520-L523 HydrophobicContact CG2-CD2 4.14Å; I520-L523 HydrophobicContact CG2-CG 4.05Å |
| 521 | V | 94.4 | Very high | 90.6 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 21% | 0.212 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -36.2 | -178.9 | 179 | 0 | 0 | 0 | 0 | 110.8 | V535 E537 S560 L561 V563 | V521-V535 PolarHBondContact N-O 3.4Å; V521-E537 HydrophobicContact CG2-CG 4.39Å; V521-S560 WeakPolarHBondContact CB-OG 3.44Å; V521-S560 WeakPolarHBondContact CG2-OG 3.38Å; V521-L561 VanDerWaalsContact CG1-C 3.48Å; V521-L561 WeakPolarHBondContact CG1-O 3.22Å; V521-V563 HydrophobicContact CG1-CG2 4.43Å |
| 522 | G | 94.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V535 | G522-V535 PolarHBondContact N-O 3.13Å; G522-V535 PolarHBondContact O-N 3.43Å |
| 523 | L | 95.7 | Very high | 91.9 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.2 | 174.9 | -72.6 | 172.6 | 0 | 0 | 0 | 109.6 | C477 F479 L488 V496 I520 I533 T534 | C477-L523 VanDerWaalsContact SG-CG 3.56Å; F479-L523 HydrophobicContact CB-CB 3.99Å; F479-L523 VanDerWaalsContact CD2-O 3.27Å; F479-L523 WeakPolarHBondContact CD2-O 3.29Å; L488-L523 HydrophobicContact CB-CD1 4.19Å; V496-L523 HydrophobicContact CG1-CD1 4.03Å; V496-L523 HydrophobicContact CG1-CD2 3.75Å; V496-L523 HydrophobicContact CG2-CD2 3.87Å; I520-L523 HydrophobicContact CG2-CD2 4.14Å; I520-L523 HydrophobicContact CG2-CG 4.05Å; L523-I533 WeakPolarHBondContact CA-O 3.49Å; L523-T534 HydrophobicContact CD2-CG2 3.61Å |
| 524 | A | 95.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 152.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | F479 I533 F565 L572 | F479-A524 HydrophobicContact CD2-CB 4.44Å; F479-A524 HydrophobicContact CE2-CB 4.27Å; A524-I533 HydrophobicContact CB-CB 4.31Å; A524-I533 HydrophobicContact CB-CD1 3.86Å; A524-I533 PolarHBondContact N-O 2.98Å; A524-I533 PolarHBondContact O-N 3.22Å; A524-F565 HydrophobicContact CB-CB 3.59Å; A524-F565 HydrophobicContact CB-CD1 4Å; A524-F565 HydrophobicContact CB-CD2 3.65Å; A524-F565 HydrophobicContact CB-CE2 4.31Å; A524-F565 HydrophobicContact CB-CG 3.47Å; A524-F565 VanDerWaalsContact CB-CG 3.47Å; A524-L572 HydrophobicContact CB-CD1 4.26Å |
| 525 | V | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 133.7 | 171.9 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | F479 T481 L488 N529 T532 F545 F565 | F479-V525 HydrophobicContact CD1-CB 4.02Å; F479-V525 HydrophobicContact CD1-CG2 3.95Å; F479-V525 HydrophobicContact CE1-CB 3.7Å; F479-V525 HydrophobicContact CE1-CG2 4.18Å; F479-V525 VanDerWaalsContact CE1-N 3.28Å; T481-V525 HydrophobicContact CG2-CB 4.3Å; T481-V525 HydrophobicContact CG2-CG1 4.27Å; T481-V525 HydrophobicContact CG2-CG2 4.29Å; L488-V525 HydrophobicContact CD1-CG2 3.83Å; L488-V525 HydrophobicContact CD2-CG2 3.86Å; L488-V525 HydrophobicContact CG-CG2 4.5Å; V525-N529 HydrophobicContact CG1-CB 4.45Å; V525-T532 HydrophobicContact CG2-CG2 4.18Å; V525-F545 HydrophobicContact CG1-CD2 3.66Å; V525-F545 HydrophobicContact CG1-CE2 3.93Å; V525-F545 HydrophobicContact CG1-CG 4.44Å; V525-F545 HydrophobicContact CG2-CD2 4.19Å; V525-F545 HydrophobicContact CG2-CE2 4.23Å; V525-F565 WeakPolarHBondContact O-CE1 3.18Å |
| 526 | N | 92.5 | Very high | 93.5 | Very high | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.08 | 16% | 0.163 | C | C | . | . | trans | -65.2 | 159.6 | 179 | 73.7 | -27.2 | 0 | 0 | 0 | 112.6 | V528 N529 R530 V531 F565 | N526-V528 PolarHBondContact O-N 3.08Å; N526-N529 PolarHBondContact O-N 2.94Å; N526-N529 PolarHBondContact OD1-N 3.14Å; N526-R530 PolarHBondContact OD1-N 2.86Å; N526-V531 PolarHBondContact N-O 3.2Å; N526-V531 PolarHBondContact OD1-N 3.1Å; N526-V531 PolarHBondContact OD1-O 3.46Å; N526-F565 HydrophobicContact CB-CZ 4.46Å | ||
| 527 | N | 89.6 | Confident | 93.5 | Very high | 61 Ų | 61 | 35.5 Ų | 35.5 | 33% | 0.326 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -32.5 | -176.2 | -91.2 | -17.8 | 0 | 0 | 0 | 113.9 | N482 N529 A567 D568 | N482-N527 PolarHBondContact ND2-OD1 2.86Å; N527-N529 VanDerWaalsContact C-N 3.32Å; N527-N529 PolarHBondContact O-N 2.86Å; N527-A567 PolarHBondContact ND2-O 3.3Å; N527-A567 WeakPolarHBondContact OD1-CB 3.3Å; N527-D568 PolarHBondContact ND2-OD1 2.82Å |
| 528 | V | 90.9 | Very high | 93.7 | Very high | 90 Ų | 90 | 30.3 Ų | 30.3 | 55% | 0.545 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 0.2 | -177.8 | -162.3 | 0 | 0 | 0 | 0 | 112.8 | N526 R530 | N526-V528 PolarHBondContact O-N 3.08Å; V528-R530 VanDerWaalsContact C-N 3.29Å; V528-R530 HydrophobicContact CB-CG 4.26Å; V528-R530 HydrophobicContact CG1-CG 4.03Å; V528-R530 PolarHBondContact O-N 3.2Å |
| 529 | N | 91.7 | Very high | 93.9 | Very high | 24 Ų | 24 | 28.8 Ų | 28.8 | 13% | 0.128 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 51 | 43.7 | -175.2 | -58.5 | -51.3 | 0 | 0 | 0 | 113.4 | C483 V525 N526 N527 F545 H546 | C483-N529 PolarHBondContact SG-ND2 3.23Å; C483-N529 VanDerWaalsContact SG-ND2 3.42Å; V525-N529 HydrophobicContact CG1-CB 4.45Å; N526-N529 PolarHBondContact O-N 2.94Å; N526-N529 PolarHBondContact OD1-N 3.14Å; N527-N529 VanDerWaalsContact C-N 3.32Å; N527-N529 PolarHBondContact O-N 2.86Å; N529-F545 HydrophobicContact CB-CD1 3.89Å; N529-F545 HydrophobicContact CB-CE1 3.87Å; N529-F545 HydrophobicContact CB-CG 4.29Å; N529-F545 HydrophobicContact CB-CZ 4.27Å; N529-F545 VanDerWaalsContact O-CB 3.23Å; N529-F545 WeakPolarHBondContact O-CB 3.34Å; N529-F545 WeakPolarHBondContact O-CD1 3.32Å; N529-F545 VanDerWaalsContact O-CG 3.3Å; N529-F545 WeakPolarHBondContact O-CG 3.38Å; N529-H546 PolarHBondContact O-NE2 2.79Å |
| 530 | R | 92.8 | Very high | 94 | Very high | 157 Ų | 157 | 27.6 Ų | 27.6 | 59% | 0.592 | 14% | 0.144 | S | C | * | . | trans | -105.7 | -35.4 | 177.6 | -72 | -176.3 | 176 | -177.5 | -0.3 | 112.8 | N526 V528 F545 | N526-R530 PolarHBondContact OD1-N 2.86Å; V528-R530 VanDerWaalsContact C-N 3.29Å; V528-R530 HydrophobicContact CB-CG 4.26Å; V528-R530 HydrophobicContact CG1-CG 4.03Å; V528-R530 PolarHBondContact O-N 3.2Å; R530-F545 PolarHBondContact O-N 2.79Å | ||
| 531 | V | 94 | Very high | 94 | Very high | 21 Ų | 21 | 29 Ų | 29 | 13% | 0.127 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.4 | -175.4 | -177 | 0 | 0 | 0 | 0 | 109 | N526 I533 F542 W543 I586 | N526-V531 PolarHBondContact N-O 3.2Å; N526-V531 PolarHBondContact OD1-N 3.1Å; N526-V531 PolarHBondContact OD1-O 3.46Å; V531-I533 HydrophobicContact CG1-CG1 4.44Å; V531-F542 HydrophobicContact CG1-CB 4.29Å; V531-F542 HydrophobicContact CG1-CD1 4.33Å; V531-W543 CarbonylContact C-O 3.5Å; V531-W543 VanDerWaalsContact CA-O 3.31Å; V531-W543 WeakPolarHBondContact CA-O 3.38Å; V531-I586 HydrophobicContact CG1-CG2 4.37Å |
| 532 | T | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.6 | 167.6 | -57.1 | 0 | 0 | 0 | 0 | 108.4 | L488 Y510 V525 T534 W543 F545 | L488-T532 HydrophobicContact CD2-CG2 3.44Å; L488-T532 VanDerWaalsContact CD2-CG2 3.44Å; Y510-T532 HydrophobicContact CE1-CG2 4.12Å; Y510-T532 HydrophobicContact CE2-CG2 4.25Å; Y510-T532 PolarHBondContact OH-OG1 3.11Å; V525-T532 HydrophobicContact CG2-CG2 4.18Å; T532-T534 HydrophobicContact CG2-CG2 4.24Å; T532-W543 PolarHBondContact N-O 2.8Å; T532-W543 PolarHBondContact O-N 3.01Å; T532-F545 WeakPolarHBondContact OG1-CD2 3.47Å |
| 533 | I | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.5 | 176.5 | -52.7 | 136.3 | 0 | 0 | 0 | 107.4 | L523 A524 V531 V535 I540 F542 F565 L572 I586 | L523-I533 WeakPolarHBondContact CA-O 3.49Å; A524-I533 HydrophobicContact CB-CB 4.31Å; A524-I533 HydrophobicContact CB-CD1 3.86Å; A524-I533 PolarHBondContact N-O 2.98Å; A524-I533 PolarHBondContact O-N 3.22Å; V531-I533 HydrophobicContact CG1-CG1 4.44Å; I533-V535 HydrophobicContact CG2-CG2 4.35Å; I533-I540 HydrophobicContact CG2-CG2 3.66Å; I533-F542 HydrophobicContact CG1-CD1 3.99Å; I533-F542 HydrophobicContact CG1-CE1 4.22Å; I533-F542 HydrophobicContact CG2-CD1 4.46Å; I533-F542 HydrophobicContact CG2-CE1 4.32Å; I533-F565 HydrophobicContact CD1-CD2 4.1Å; I533-F565 HydrophobicContact CD1-CE2 3.86Å; I533-L572 HydrophobicContact CG2-CD2 3.97Å; I533-I586 HydrophobicContact CD1-CB 4.32Å; I533-I586 HydrophobicContact CD1-CD1 3.73Å; I533-I586 HydrophobicContact CD1-CG1 3.54Å; I533-I586 HydrophobicContact CD1-CG2 3.82Å; I533-I586 HydrophobicContact CG1-CG1 4.14Å; I533-I586 HydrophobicContact CG1-CG2 4.08Å |
| 534 | T | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.8 | 175.6 | 61 | 0 | 0 | 0 | 0 | 108.1 | V496 H516 L523 T532 R541 W543 | V496-T534 HydrophobicContact CG2-CG2 3.9Å; H516-T534 WeakPolarHBondContact NE2-CB 3.42Å; H516-T534 PolarHBondContact NE2-O 3.26Å; H516-T534 PolarHBondContact NE2-OG1 3.3Å; L523-T534 HydrophobicContact CD2-CG2 3.61Å; T532-T534 HydrophobicContact CG2-CG2 4.24Å; T534-R541 PolarHBondContact N-O 2.83Å; T534-R541 PolarHBondContact O-N 3.35Å; T534-R541 WeakPolarHBondContact OG1-CB 3.46Å; T534-R541 PolarHBondContact OG1-O 2.88Å; T534-W543 PolarHBondContact OG1-NE1 3.05Å |
| 535 | V | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 113 | 179.6 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | V521 G522 I533 I540 L556 V563 L572 | V521-V535 PolarHBondContact N-O 3.4Å; G522-V535 PolarHBondContact N-O 3.13Å; G522-V535 PolarHBondContact O-N 3.43Å; I533-V535 HydrophobicContact CG2-CG2 4.35Å; V535-I540 HydrophobicContact CG1-CG1 4.17Å; V535-I540 HydrophobicContact CG2-CG1 4.16Å; V535-I540 HydrophobicContact CG2-CG2 4.35Å; V535-L556 HydrophobicContact CG1-CD1 4.4Å; V535-V563 HydrophobicContact CB-CG2 3.91Å; V535-V563 HydrophobicContact CG1-CG2 3.75Å; V535-V563 HydrophobicContact CG2-CG1 4.17Å; V535-V563 HydrophobicContact CG2-CG2 3.95Å; V535-L572 HydrophobicContact CG2-CD2 3.83Å |
| 536 | G | 94.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -174.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H516 S538 E539 S560 | H516-G536 PolarHBondContact CE1-N 3.22Å; H516-G536 VanDerWaalsContact CE1-N 3.35Å; G536-S538 PolarHBondContact O-N 3.09Å; G536-E539 PolarHBondContact N-O 2.75Å; G536-S560 PolarHBondContact O-OG 2.77Å |
| 537 | E | 92.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 38.3 Ų | 38.3 | 35% | 0.35 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -59.8 | -47.2 | 177.7 | -70.2 | 174.8 | -170.7 | 0 | 0 | 112.1 | C518 V521 T559 S560 | C518-E537 HydrophobicContact CB-CB 3.96Å; C518-E537 HydrophobicContact CB-CG 3.92Å; V521-E537 HydrophobicContact CG2-CG 4.39Å; E537-T559 HydrophobicContact CB-CG2 4.43Å; E537-T559 CarbonylContact O-C 3.52Å; E537-T559 VanDerWaalsContact O-CA 3.22Å; E537-T559 WeakPolarHBondContact O-CA 3.43Å; E537-S560 PolarHBondContact O-N 3.34Å |
| 538 | S | 91.7 | Very high | 93.8 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 43% | 0.427 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -109.2 | -10.4 | -173.3 | 56.7 | 0 | 0 | 0 | 0 | 115.3 | G536 L556 | G536-S538 PolarHBondContact O-N 3.09Å; S538-L556 WeakPolarHBondContact O-CB 3.28Å; S538-L556 PolarHBondContact O-N 3.11Å |
| 539 | E | 93.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 148.9 | -170 | 65.6 | -176.5 | 153.6 | 0 | 0 | 112.2 | H516 G536 R541 Q553 | H516-E539 PolarHBondContact CE1-O 3.05Å; H516-E539 WeakPolarHBondContact ND1-CG 3.42Å; H516-E539 IonicContact ND1-OE1 2.72Å; G536-E539 PolarHBondContact N-O 2.75Å; E539-R541 VanDerWaalsContact CD-CZ 3.45Å; E539-R541 HydrophobicContact CG-CG 4.45Å; E539-R541 IonicContact OE1-CZ 2.65Å; E539-R541 IonicContact OE1-NE 2.6Å; E539-R541 PolarHBondContact OE1-NE 2.91Å; E539-R541 IonicContact OE1-NH1 2.92Å; E539-R541 IonicContact OE1-NH2 3.1Å; E539-R541 PolarHBondContact OE1-NH2 2.64Å; E539-R541 IonicContact OE2-CZ 3.89Å; E539-R541 IonicContact OE2-NE 3.83Å; E539-R541 PolarHBondContact OE2-NE 3.24Å; E539-R541 IonicContact OE2-NH2 3.67Å; E539-R541 PolarHBondContact OE2-NH2 3.49Å; E539-Q553 HydrophobicContact CB-CG 4.34Å; E539-Q553 PolarHBondContact OE2-NE2 3.14Å; E539-Q553 PolarHBondContact OE2-OE1 2.77Å |
| 540 | I | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.4 | 169.5 | -57.4 | 175.2 | 0 | 0 | 0 | 107.7 | I533 V535 F542 Q553 L554 L556 L572 V574 V584 | I533-I540 HydrophobicContact CG2-CG2 3.66Å; V535-I540 HydrophobicContact CG1-CG1 4.17Å; V535-I540 HydrophobicContact CG2-CG1 4.16Å; V535-I540 HydrophobicContact CG2-CG2 4.35Å; I540-F542 HydrophobicContact CG2-CE1 4.24Å; I540-F542 HydrophobicContact CG2-CE2 4.07Å; I540-F542 HydrophobicContact CG2-CZ 3.83Å; I540-Q553 CarbonylContact O-C 3.59Å; I540-Q553 VanDerWaalsContact O-CA 3.29Å; I540-Q553 WeakPolarHBondContact O-CA 3.49Å; I540-L554 HydrophobicContact CB-CB 4.35Å; I540-L554 HydrophobicContact CD1-CD2 4.4Å; I540-L554 PolarHBondContact N-O 2.97Å; I540-L554 PolarHBondContact O-N 3.32Å; I540-L556 HydrophobicContact CD1-CD1 4.44Å; I540-L556 HydrophobicContact CD1-CD2 3.78Å; I540-L556 HydrophobicContact CD1-CG 4.4Å; I540-L556 HydrophobicContact CG1-CD1 4.05Å; I540-L556 HydrophobicContact CG1-CD2 4.05Å; I540-L556 HydrophobicContact CG1-CG 4.12Å; I540-L572 HydrophobicContact CD1-CD2 4.06Å; I540-L572 HydrophobicContact CG2-CD2 4.49Å; I540-V574 HydrophobicContact CD1-CG2 4.07Å; I540-V584 HydrophobicContact CD1-CG2 4.08Å |
| 541 | R | 95.4 | Very high | 93.9 | Very high | 31 Ų | 31 | 40.4 Ų | 40.4 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.1 | 176.7 | -71.2 | 179.5 | 178.5 | 176.8 | 3 | 110.7 | A515 T534 E539 W543 L550 Q553 | A515-R541 WeakPolarHBondContact O-CD 3.11Å; A515-R541 PolarHBondContact O-NH1 2.83Å; T534-R541 PolarHBondContact N-O 2.83Å; T534-R541 PolarHBondContact O-N 3.35Å; T534-R541 WeakPolarHBondContact OG1-CB 3.46Å; T534-R541 PolarHBondContact OG1-O 2.88Å; E539-R541 VanDerWaalsContact CD-CZ 3.45Å; E539-R541 HydrophobicContact CG-CG 4.45Å; E539-R541 IonicContact OE1-CZ 2.65Å; E539-R541 IonicContact OE1-NE 2.6Å; E539-R541 PolarHBondContact OE1-NE 2.91Å; E539-R541 IonicContact OE1-NH1 2.92Å; E539-R541 IonicContact OE1-NH2 3.1Å; E539-R541 PolarHBondContact OE1-NH2 2.64Å; E539-R541 IonicContact OE2-CZ 3.89Å; E539-R541 IonicContact OE2-NE 3.83Å; E539-R541 PolarHBondContact OE2-NE 3.24Å; E539-R541 IonicContact OE2-NH2 3.67Å; E539-R541 PolarHBondContact OE2-NH2 3.49Å; R541-W543 HydrophobicContact CB-CZ2 4.01Å; R541-L550 HydrophobicContact CB-CD1 3.68Å; R541-L550 HydrophobicContact CG-CD1 3.97Å; R541-Q553 HydrophobicContact CG-CB 4.38Å; R541-Q553 HydrophobicContact CG-CG 4.19Å |
| 542 | F | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.3 | 179.7 | -57 | -88 | 0 | 0 | 0 | 109.6 | V531 I533 I540 R551 G552 L554 V584 I586 R589 | V531-F542 HydrophobicContact CG1-CB 4.29Å; V531-F542 HydrophobicContact CG1-CD1 4.33Å; I533-F542 HydrophobicContact CG1-CD1 3.99Å; I533-F542 HydrophobicContact CG1-CE1 4.22Å; I533-F542 HydrophobicContact CG2-CD1 4.46Å; I533-F542 HydrophobicContact CG2-CE1 4.32Å; I540-F542 HydrophobicContact CG2-CE1 4.24Å; I540-F542 HydrophobicContact CG2-CE2 4.07Å; I540-F542 HydrophobicContact CG2-CZ 3.83Å; F542-R551 PolarHBondContact O-N 2.94Å; F542-G552 PolarHBondContact N-O 2.81Å; F542-G552 PolarHBondContact O-N 2.77Å; F542-L554 HydrophobicContact CE2-CB 4.08Å; F542-V584 HydrophobicContact CZ-CG1 4.39Å; F542-I586 HydrophobicContact CE1-CG1 4.29Å; F542-I586 HydrophobicContact CE1-CG2 4.4Å; F542-R589 HydrophobicContact CD1-CG 4.36Å; F542-R589 HydrophobicContact CD2-CB 4.43Å; F542-R589 HydrophobicContact CD2-CG 4.12Å; F542-R589 HydrophobicContact CE1-CG 4.21Å; F542-R589 HydrophobicContact CE2-CB 3.88Å; F542-R589 HydrophobicContact CE2-CG 3.97Å; F542-R589 HydrophobicContact CG-CG 4.31Å; F542-R589 HydrophobicContact CZ-CB 4.01Å; F542-R589 HydrophobicContact CZ-CG 4.02Å |
| 543 | W | 95.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 150.9 | -175.3 | -49.5 | 81.4 | 0 | 0 | 0 | 111.2 | Y510 A515 V531 T532 T534 R541 F545 K549 L550 | Y510-W543 HydrophobicContact CD1-CB 3.74Å; Y510-W543 HydrophobicContact CD1-CD2 4.02Å; Y510-W543 HydrophobicContact CD1-CE3 4.29Å; Y510-W543 AromaticContact CD1-CG 3.78Å; Y510-W543 HydrophobicContact CD1-CG 3.78Å; Y510-W543 HydrophobicContact CE1-CB 3.88Å; Y510-W543 HydrophobicContact CE1-CG 4.36Å; A515-W543 HydrophobicContact CB-CZ2 3.98Å; V531-W543 CarbonylContact C-O 3.5Å; V531-W543 VanDerWaalsContact CA-O 3.31Å; V531-W543 WeakPolarHBondContact CA-O 3.38Å; T532-W543 PolarHBondContact N-O 2.8Å; T532-W543 PolarHBondContact O-N 3.01Å; T534-W543 PolarHBondContact OG1-NE1 3.05Å; R541-W543 HydrophobicContact CB-CZ2 4.01Å; W543-F545 PolarHBondContact O-N 2.84Å; W543-K549 CarbonylContact C-O 3.58Å; W543-K549 VanDerWaalsContact CA-O 3.3Å; W543-K549 WeakPolarHBondContact CA-O 3.09Å; W543-L550 HydrophobicContact CD2-CD1 4.05Å; W543-L550 HydrophobicContact CE3-CB 3.93Å; W543-L550 HydrophobicContact CE3-CD1 4.19Å; W543-L550 HydrophobicContact CH2-CB 4.37Å; W543-L550 HydrophobicContact CH2-CD1 4.11Å; W543-L550 HydrophobicContact CZ2-CD1 3.96Å; W543-L550 HydrophobicContact CZ3-CB 3.81Å; W543-L550 HydrophobicContact CZ3-CD1 4.22Å |
| 544 | S | 94.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 125 | 164.2 | -178 | 0 | 0 | 0 | 0 | 109.4 | H546 E547 H548 K549 | S544-H546 VanDerWaalsContact C-N 3.29Å; S544-H546 PolarHBondContact O-N 2.83Å; S544-E547 PolarHBondContact OG-N 2.85Å; S544-H548 VanDerWaalsContact O-CA 3.22Å; S544-H548 WeakPolarHBondContact O-CA 3.4Å; S544-H548 PolarHBondContact O-N 2.86Å; S544-K549 PolarHBondContact N-O 2.82Å |
| 545 | F | 93.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -30.7 | -177 | 177.2 | -95.2 | 0 | 0 | 0 | 113.5 | T481 Y486 L488 K498 V525 N529 R530 T532 W543 H548 | T481-F545 HydrophobicContact CG2-CE2 3.89Å; T481-F545 HydrophobicContact CG2-CZ 4.07Å; Y486-F545 HydrophobicContact CD2-CE1 4.19Å; Y486-F545 AromaticContact CD2-CZ 3.61Å; Y486-F545 HydrophobicContact CD2-CZ 3.61Å; Y486-F545 HydrophobicContact CE2-CE1 4.16Å; Y486-F545 HydrophobicContact CE2-CZ 4.04Å; Y486-F545 HydrophobicContact CG-CZ 4.05Å; L488-F545 HydrophobicContact CD1-CE2 4.27Å; K498-F545 HydrophobicContact CD-CE2 4.5Å; K498-F545 HydrophobicContact CD-CZ 4.49Å; K498-F545 VanDerWaalsContact NZ-CZ 3.29Å; K498-F545 PolarHBondContact NZ-O 2.88Å; V525-F545 HydrophobicContact CG1-CD2 3.66Å; V525-F545 HydrophobicContact CG1-CE2 3.93Å; V525-F545 HydrophobicContact CG1-CG 4.44Å; V525-F545 HydrophobicContact CG2-CD2 4.19Å; V525-F545 HydrophobicContact CG2-CE2 4.23Å; N529-F545 HydrophobicContact CB-CD1 3.89Å; N529-F545 HydrophobicContact CB-CE1 3.87Å; N529-F545 HydrophobicContact CB-CG 4.29Å; N529-F545 HydrophobicContact CB-CZ 4.27Å; N529-F545 VanDerWaalsContact O-CB 3.23Å; N529-F545 WeakPolarHBondContact O-CB 3.34Å; N529-F545 WeakPolarHBondContact O-CD1 3.32Å; N529-F545 VanDerWaalsContact O-CG 3.3Å; N529-F545 WeakPolarHBondContact O-CG 3.38Å; R530-F545 PolarHBondContact O-N 2.79Å; T532-F545 WeakPolarHBondContact OG1-CD2 3.47Å; W543-F545 PolarHBondContact O-N 2.84Å; F545-H548 PolarHBondContact O-CD2 3.18Å; F545-H548 VanDerWaalsContact O-CD2 3.27Å; F545-H548 PolarHBondContact O-NE2 2.88Å |
| 546 | H | 91.7 | Very high | 93.3 | Very high | 136 Ų | 136 | 52.5 Ų | 52.5 | 63% | 0.63 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -44.1 | -179 | -63.5 | -67.3 | 0 | 0 | 0 | 112.7 | N529 S544 | N529-H546 PolarHBondContact O-NE2 2.79Å; S544-H546 VanDerWaalsContact C-N 3.29Å; S544-H546 PolarHBondContact O-N 2.83Å |
| 547 | E | 90.6 | Very high | 93.2 | Very high | 113 Ų | 113 | 57.3 Ų | 57.3 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -14.1 | -175.7 | -64.3 | 176.5 | -133.2 | 0 | 0 | 113.5 | S544 K549 | S544-E547 PolarHBondContact OG-N 2.85Å; E547-K549 HydrophobicContact CB-CB 4.47Å; E547-K549 HydrophobicContact CB-CD 4.33Å; E547-K549 HydrophobicContact CB-CG 4.09Å; E547-K549 PolarHBondContact O-N 2.93Å; E547-K549 VanDerWaalsContact O-N 3.08Å; E547-K549 WeakPolarHBondContact OE2-CD 3.37Å; E547-K549 WeakPolarHBondContact OE2-CE 3.47Å; E547-K549 IonicContact OE2-NZ 3.68Å; E547-K549 PolarHBondContact OE2-NZ 3.28Å |
| 548 | H | 91.5 | Very high | 93.1 | Very high | 39 Ų | 39 | 55 Ų | 55 | 18% | 0.181 | 28% | 0.279 | C | S | . | . | trans | 57.9 | 18.8 | -175.2 | -52 | 178.4 | 0 | 0 | 0 | 114.2 | S509 Y510 S544 F545 | S509-H548 PolarHBondContact O-ND1 3.46Å; Y510-H548 HydrophobicContact CD1-CB 4Å; Y510-H548 HydrophobicContact CE1-CB 4.16Å; Y510-H548 AromaticContact CE1-CD2 3.88Å; S544-H548 VanDerWaalsContact O-CA 3.22Å; S544-H548 WeakPolarHBondContact O-CA 3.4Å; S544-H548 PolarHBondContact O-N 2.86Å; F545-H548 PolarHBondContact O-CD2 3.18Å; F545-H548 VanDerWaalsContact O-CD2 3.27Å; F545-H548 PolarHBondContact O-NE2 2.88Å | ||
| 549 | K | 92.6 | Very high | 93.2 | Very high | 131 Ų | 131 | 54.9 Ų | 54.9 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | trans | -84 | 141.9 | 175.2 | -66.2 | -178.5 | -169.6 | 154.3 | 0 | 111.9 | W543 S544 E547 R551 | W543-K549 CarbonylContact C-O 3.58Å; W543-K549 VanDerWaalsContact CA-O 3.3Å; W543-K549 WeakPolarHBondContact CA-O 3.09Å; S544-K549 PolarHBondContact N-O 2.82Å; E547-K549 HydrophobicContact CB-CB 4.47Å; E547-K549 HydrophobicContact CB-CD 4.33Å; E547-K549 HydrophobicContact CB-CG 4.09Å; E547-K549 PolarHBondContact O-N 2.93Å; E547-K549 VanDerWaalsContact O-N 3.08Å; E547-K549 WeakPolarHBondContact OE2-CD 3.37Å; E547-K549 WeakPolarHBondContact OE2-CE 3.47Å; E547-K549 IonicContact OE2-NZ 3.68Å; E547-K549 PolarHBondContact OE2-NZ 3.28Å; K549-R551 PolarHBondContact O-N 3.05Å | ||
| 550 | L | 93.3 | Very high | 93.2 | Very high | 82 Ų | 82 | 54.5 Ų | 54.5 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 125.4 | 173.4 | -173.3 | 70 | 0 | 0 | 0 | 109.9 | R541 W543 G552 | R541-L550 HydrophobicContact CB-CD1 3.68Å; R541-L550 HydrophobicContact CG-CD1 3.97Å; W543-L550 HydrophobicContact CD2-CD1 4.05Å; W543-L550 HydrophobicContact CE3-CB 3.93Å; W543-L550 HydrophobicContact CE3-CD1 4.19Å; W543-L550 HydrophobicContact CH2-CB 4.37Å; W543-L550 HydrophobicContact CH2-CD1 4.11Å; W543-L550 HydrophobicContact CZ2-CD1 3.96Å; W543-L550 HydrophobicContact CZ3-CB 3.81Å; W543-L550 HydrophobicContact CZ3-CD1 4.22Å; L550-G552 WeakPolarHBondContact CD1-O 3.37Å |
| 551 | R | 92.2 | Very high | 93 | Very high | 124 Ų | 124 | 58.6 Ų | 58.6 | 47% | 0.468 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -25.9 | 175.6 | -73.8 | -172.2 | 168.2 | -167.4 | -2.6 | 113 | F542 K549 R589 | F542-R551 PolarHBondContact O-N 2.94Å; K549-R551 PolarHBondContact O-N 3.05Å; R551-R589 PolarHBondContact O-NH1 2.9Å |
| 552 | G | 91.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | 169.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F542 L550 | F542-G552 PolarHBondContact N-O 2.81Å; F542-G552 PolarHBondContact O-N 2.77Å; L550-G552 WeakPolarHBondContact CD1-O 3.37Å |
| 553 | Q | 93.5 | Very high | 92.9 | Very high | 90 Ų | 90 | 59 Ų | 59 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 149.1 | -178.8 | 175.9 | 178 | -33.7 | 0 | 0 | 109 | E539 I540 R541 D555 | E539-Q553 HydrophobicContact CB-CG 4.34Å; E539-Q553 PolarHBondContact OE2-NE2 3.14Å; E539-Q553 PolarHBondContact OE2-OE1 2.77Å; I540-Q553 CarbonylContact O-C 3.59Å; I540-Q553 VanDerWaalsContact O-CA 3.29Å; I540-Q553 WeakPolarHBondContact O-CA 3.49Å; R541-Q553 HydrophobicContact CG-CB 4.38Å; R541-Q553 HydrophobicContact CG-CG 4.19Å; Q553-D555 PolarHBondContact NE2-OD1 3.05Å |
| 554 | L | 94.4 | Very high | 92.9 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 18% | 0.183 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119.3 | 173.4 | 178.9 | 71.4 | 0 | 0 | 0 | 108.2 | I540 F542 V584 V591 | I540-L554 HydrophobicContact CB-CB 4.35Å; I540-L554 HydrophobicContact CD1-CD2 4.4Å; I540-L554 PolarHBondContact N-O 2.97Å; I540-L554 PolarHBondContact O-N 3.32Å; F542-L554 HydrophobicContact CE2-CB 4.08Å; L554-V584 HydrophobicContact CD2-CG1 3.67Å; L554-V584 HydrophobicContact CD2-CG2 4.05Å; L554-V591 HydrophobicContact CD2-CG2 4.3Å |
| 555 | D | 93.7 | Very high | 92.9 | Very high | 113 Ų | 113 | 62.6 Ų | 62.6 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 140.2 | 179.8 | -60.4 | -30.6 | 0 | 0 | 0 | 110.8 | Q553 | Q553-D555 PolarHBondContact NE2-OD1 3.05Å |
| 556 | L | 92.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | trans | -97.3 | 145.7 | 178.9 | -63.4 | 179.4 | 0 | 0 | 0 | 110.6 | V535 S538 I540 S558 V574 L576 I582 | V535-L556 HydrophobicContact CG1-CD1 4.4Å; S538-L556 WeakPolarHBondContact O-CB 3.28Å; S538-L556 PolarHBondContact O-N 3.11Å; I540-L556 HydrophobicContact CD1-CD1 4.44Å; I540-L556 HydrophobicContact CD1-CD2 3.78Å; I540-L556 HydrophobicContact CD1-CG 4.4Å; I540-L556 HydrophobicContact CG1-CD1 4.05Å; I540-L556 HydrophobicContact CG1-CD2 4.05Å; I540-L556 HydrophobicContact CG1-CG 4.12Å; L556-S558 VanDerWaalsContact C-N 3.25Å; L556-S558 PolarHBondContact O-N 2.89Å; L556-V574 HydrophobicContact CD1-CG1 4.23Å; L556-L576 HydrophobicContact CB-CD2 4.45Å; L556-L576 HydrophobicContact CD1-CD2 4.28Å; L556-I582 HydrophobicContact CD2-CD1 3.36Å | ||
| 557 | P | 90.3 | Very high | 92.8 | Very high | 102 Ų | 102 | 57.7 Ų | 57.7 | 66% | 0.662 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -70.6 | -22.2 | -178.6 | 28.7 | -34.9 | 0 | 0 | 0 | 113.2 | L576 | P557-L576 HydrophobicContact CG-CD1 3.69Š|
| 558 | S | 91.7 | Very high | 92.7 | Very high | 25 Ų | 25 | 56.8 Ų | 56.8 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -154.8 | 176.4 | -179.3 | 56 | 0 | 0 | 0 | 0 | 110.2 | L556 S560 L576 N578 | L556-S558 VanDerWaalsContact C-N 3.25Å; L556-S558 PolarHBondContact O-N 2.89Å; S558-S560 PolarHBondContact O-N 2.91Å; S558-L576 WeakPolarHBondContact OG-CB 3.15Å; S558-N578 VanDerWaalsContact OG-CG 3.28Å; S558-N578 PolarHBondContact OG-ND2 3.42Å; S558-N578 PolarHBondContact OG-OD1 3.1Å |
| 559 | T | 93.7 | Very high | 92.6 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 37% | 0.368 | 30% | 0.303 | S | S | . | . | trans | -67 | 132.2 | -175.2 | 55.6 | 0 | 0 | 0 | 0 | 112.2 | E537 L576 S577 | E537-T559 HydrophobicContact CB-CG2 4.43Å; E537-T559 CarbonylContact O-C 3.52Å; E537-T559 VanDerWaalsContact O-CA 3.22Å; E537-T559 WeakPolarHBondContact O-CA 3.43Å; T559-L576 CarbonylContact O-C 3.56Å; T559-L576 WeakPolarHBondContact O-CA 3.46Å; T559-S577 PolarHBondContact N-OG 2.77Å; T559-S577 PolarHBondContact O-N 2.9Å; T559-S577 PolarHBondContact O-OG 2.91Å; T559-S577 WeakPolarHBondContact OG1-CB 3.5Å; T559-S577 PolarHBondContact OG1-OG 2.92Å | ||
| 560 | S | 93.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 136.5 | 174 | 70.9 | 0 | 0 | 0 | 0 | 110.9 | V521 G536 E537 S558 | V521-S560 WeakPolarHBondContact CB-OG 3.44Å; V521-S560 WeakPolarHBondContact CG2-OG 3.38Å; G536-S560 PolarHBondContact O-OG 2.77Å; E537-S560 PolarHBondContact O-N 3.34Å; S558-S560 PolarHBondContact O-N 2.91Å |
| 561 | L | 92.6 | Very high | 92.7 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 45% | 0.445 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -40 | 178.9 | -66.8 | -179.3 | 0 | 0 | 0 | 112.1 | V521 A575 | V521-L561 VanDerWaalsContact CG1-C 3.48Å; V521-L561 WeakPolarHBondContact CG1-O 3.22Å; L561-A575 PolarHBondContact N-O 2.97Å |
| 562 | L | 93.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 147.9 | -173.2 | 180 | 75.5 | 0 | 0 | 0 | 110.1 | A575 M606 | L562-A575 HydrophobicContact CB-CB 4.05Å; L562-A575 PolarHBondContact O-N 2.86Å; L562-M606 HydrophobicContact CD2-CE 4.45Å; L562-M606 HydrophobicContact CD2-CG 3.92Å |
| 563 | V | 95.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 141.5 | 178.6 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | V521 V535 L572 A573 V574 | V521-V563 HydrophobicContact CG1-CG2 4.43Å; V535-V563 HydrophobicContact CB-CG2 3.91Å; V535-V563 HydrophobicContact CG1-CG2 3.75Å; V535-V563 HydrophobicContact CG2-CG1 4.17Å; V535-V563 HydrophobicContact CG2-CG2 3.95Å; V563-L572 HydrophobicContact CG1-CD1 3.35Å; V563-L572 HydrophobicContact CG1-CD2 4.16Å; V563-L572 HydrophobicContact CG1-CG 3.74Å; V563-A573 CarbonylContact C-O 3.52Å; V563-A573 VanDerWaalsContact CA-O 3.32Å; V563-A573 WeakPolarHBondContact CA-O 3.19Å; V563-V574 HydrophobicContact CG1-CG2 4.38Å; V563-V574 HydrophobicContact CG2-CG1 4.33Å; V563-V574 HydrophobicContact CG2-CG2 4.25Å |
| 564 | R | 94.9 | Very high | 93.2 | Very high | 55 Ų | 55 | 38.3 Ų | 38.3 | 21% | 0.208 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 137.2 | 168.1 | -68.1 | -69.6 | 173.2 | -107.8 | 9 | 110.4 | L572 A573 D605 M606 | R564-L572 CarbonylContact O-C 3.58Å; R564-A573 HydrophobicContact CB-CB 4.45Å; R564-A573 PolarHBondContact N-O 2.88Å; R564-A573 PolarHBondContact O-N 3.35Å; R564-D605 IonicContact CZ-OD1 3.69Å; R564-D605 IonicContact NE-OD1 3.73Å; R564-D605 PolarHBondContact NE-OD1 2.91Å; R564-D605 IonicContact NH2-OD1 3.4Å; R564-D605 PolarHBondContact NH2-OD1 2.83Å; R564-D605 IonicContact NH2-OD2 2.91Å; R564-M606 HydrophobicContact CB-CG 4.3Å; R564-M606 WeakPolarHBondContact CD-O 3.36Å; R564-M606 HydrophobicContact CG-CG 3.61Å; R564-M606 WeakPolarHBondContact CG-O 3.29Å; R564-M606 PolarHBondContact NE-O 2.73Å |
| 565 | F | 94.6 | Very high | 93.3 | Very high | 37 Ų | 37 | 36.7 Ų | 36.7 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.5 | -178.6 | 174 | -104.3 | 0 | 0 | 0 | 109.4 | F479 A524 V525 N526 I533 A567 L572 I586 | F479-F565 HydrophobicContact CE2-CD1 4.09Å; F479-F565 HydrophobicContact CZ-CD1 4.1Å; F479-F565 HydrophobicContact CZ-CE1 4.4Å; A524-F565 HydrophobicContact CB-CB 3.59Å; A524-F565 HydrophobicContact CB-CD1 4Å; A524-F565 HydrophobicContact CB-CD2 3.65Å; A524-F565 HydrophobicContact CB-CE2 4.31Å; A524-F565 HydrophobicContact CB-CG 3.47Å; A524-F565 VanDerWaalsContact CB-CG 3.47Å; V525-F565 WeakPolarHBondContact O-CE1 3.18Å; N526-F565 HydrophobicContact CB-CZ 4.46Å; I533-F565 HydrophobicContact CD1-CD2 4.1Å; I533-F565 HydrophobicContact CD1-CE2 3.86Å; F565-A567 HydrophobicContact CD1-CB 4.16Å; F565-A567 VanDerWaalsContact CE1-CA 3.41Å; F565-A567 HydrophobicContact CE1-CB 3.59Å; F565-A567 HydrophobicContact CZ-CB 4.39Å; F565-L572 HydrophobicContact CB-CD1 3.92Å; F565-L572 HydrophobicContact CD2-CD1 4.03Å; F565-L572 HydrophobicContact CG-CD1 4.47Å; F565-I586 HydrophobicContact CD2-CD1 3.65Å; F565-I586 HydrophobicContact CE2-CD1 3.32Å; F565-I586 HydrophobicContact CE2-CG1 4.49Å |
| 566 | H | 93.7 | Very high | 93.3 | Very high | 16 Ų | 16 | 31.3 Ų | 31.3 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 107.8 | 173.1 | -171.7 | -101.7 | 0 | 0 | 0 | 109.2 | D568 S569 D570 V571 I608 S609 F610 | H566-D568 PolarHBondContact O-N 2.8Å; H566-S569 WeakPolarHBondContact ND1-CB 3.15Å; H566-S569 PolarHBondContact ND1-N 2.92Å; H566-S569 PolarHBondContact ND1-OG 3.02Å; H566-D570 WeakPolarHBondContact O-CA 3.18Å; H566-D570 PolarHBondContact O-N 2.78Å; H566-D570 VanDerWaalsContact O-N 3.09Å; H566-V571 PolarHBondContact N-O 2.88Å; H566-V571 PolarHBondContact O-N 2.8Å; H566-I608 HydrophobicContact CB-CB 4.25Å; H566-I608 HydrophobicContact CB-CD1 3.78Å; H566-I608 HydrophobicContact CB-CG2 4.09Å; H566-S609 PolarHBondContact NE2-O 3.09Å; H566-F610 PolarHBondContact CE1-O 2.87Å; H566-F610 PolarHBondContact NE2-O 3.35Å; H566-F610 VanDerWaalsContact NE2-O 3.13Å |
| 567 | A | 88.3 | Confident | 93.3 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -29.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N527 F565 | N527-A567 PolarHBondContact ND2-O 3.3Å; N527-A567 WeakPolarHBondContact OD1-CB 3.3Å; F565-A567 HydrophobicContact CD1-CB 4.16Å; F565-A567 VanDerWaalsContact CE1-CA 3.41Å; F565-A567 HydrophobicContact CE1-CB 3.59Å; F565-A567 HydrophobicContact CZ-CB 4.39Å |
| 568 | D | 88.7 | Confident | 93.2 | Very high | 95 Ų | 95 | 30.3 Ų | 30.3 | 51% | 0.508 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -26.7 | -174.1 | -66.1 | -13.9 | 0 | 0 | 0 | 112.6 | N527 H566 F610 | N527-D568 PolarHBondContact ND2-OD1 2.82Å; H566-D568 PolarHBondContact O-N 2.8Å; D568-F610 WeakPolarHBondContact OD2-CE2 3.37Å; D568-F610 WeakPolarHBondContact OD2-CZ 3.4Å |
| 569 | S | 90.8 | Very high | 93.1 | Very high | 52 Ų | 52 | 29.2 Ų | 29.2 | 36% | 0.364 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -2.2 | 173.7 | 71.1 | 0 | 0 | 0 | 0 | 113.6 | H566 V571 | H566-S569 WeakPolarHBondContact ND1-CB 3.15Å; H566-S569 PolarHBondContact ND1-N 2.92Å; H566-S569 PolarHBondContact ND1-OG 3.02Å; S569-V571 PolarHBondContact O-N 3.43Å; S569-V571 WeakPolarHBondContact OG-CB 3.35Å; S569-V571 WeakPolarHBondContact OG-CG2 3.48Å |
| 570 | D | 92.7 | Very high | 93.1 | Very high | 27 Ų | 27 | 28.4 Ų | 28.4 | 14% | 0.144 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 46.2 | -171.4 | -80.3 | -29.6 | 0 | 0 | 0 | 112.3 | H566 I586 I587 | H566-D570 WeakPolarHBondContact O-CA 3.18Å; H566-D570 PolarHBondContact O-N 2.78Å; H566-D570 VanDerWaalsContact O-N 3.09Å; D570-I586 WeakPolarHBondContact O-CD1 3.41Å; D570-I586 PolarHBondContact O-N 2.9Å; D570-I587 HydrophobicContact CB-CD1 4.42Å; D570-I587 HydrophobicContact CB-CG1 4.34Å |
| 571 | V | 94.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 12% | 0.115 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.1 | 177.4 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | H566 S569 L583 I592 | H566-V571 PolarHBondContact N-O 2.88Å; H566-V571 PolarHBondContact O-N 2.8Å; S569-V571 PolarHBondContact O-N 3.43Å; S569-V571 WeakPolarHBondContact OG-CB 3.35Å; S569-V571 WeakPolarHBondContact OG-CG2 3.48Å; V571-L583 HydrophobicContact CG1-CB 4.02Å; V571-L583 HydrophobicContact CG1-CD1 4.45Å; V571-L583 HydrophobicContact CG1-CD2 4.16Å; V571-L583 HydrophobicContact CG1-CG 4.44Å; V571-I592 HydrophobicContact CG2-CD1 4.32Å |
| 572 | L | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.6 | 176.3 | -168.6 | 79.5 | 0 | 0 | 0 | 110.1 | A524 I533 V535 I540 V563 R564 F565 V574 L583 V584 I586 | A524-L572 HydrophobicContact CB-CD1 4.26Å; I533-L572 HydrophobicContact CG2-CD2 3.97Å; V535-L572 HydrophobicContact CG2-CD2 3.83Å; I540-L572 HydrophobicContact CD1-CD2 4.06Å; I540-L572 HydrophobicContact CG2-CD2 4.49Å; V563-L572 HydrophobicContact CG1-CD1 3.35Å; V563-L572 HydrophobicContact CG1-CD2 4.16Å; V563-L572 HydrophobicContact CG1-CG 3.74Å; R564-L572 CarbonylContact O-C 3.58Å; F565-L572 HydrophobicContact CB-CD1 3.92Å; F565-L572 HydrophobicContact CD2-CD1 4.03Å; F565-L572 HydrophobicContact CG-CD1 4.47Å; L572-V574 HydrophobicContact CD2-CG2 3.78Å; L572-V574 HydrophobicContact CG-CG2 4.03Å; L572-L583 WeakPolarHBondContact O-CA 3.19Å; L572-V584 HydrophobicContact CB-CB 4.35Å; L572-V584 PolarHBondContact N-O 2.89Å; L572-V584 PolarHBondContact O-N 2.94Å; L572-I586 HydrophobicContact CB-CD1 3.83Å; L572-I586 HydrophobicContact CB-CG1 4.35Å |
| 573 | A | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 131.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V563 R564 I582 L583 M606 I608 L615 | V563-A573 CarbonylContact C-O 3.52Å; V563-A573 VanDerWaalsContact CA-O 3.32Å; V563-A573 WeakPolarHBondContact CA-O 3.19Å; R564-A573 HydrophobicContact CB-CB 4.45Å; R564-A573 PolarHBondContact N-O 2.88Å; R564-A573 PolarHBondContact O-N 3.35Å; A573-I582 WeakPolarHBondContact CA-O 3.36Å; A573-L583 HydrophobicContact CB-CD2 3.48Å; A573-L583 VanDerWaalsContact CB-CD2 3.48Å; A573-M606 HydrophobicContact CB-SD 3.71Å; A573-I608 HydrophobicContact CB-CD1 3.93Å; A573-L615 HydrophobicContact CB-CD1 4.29Å |
| 574 | V | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.4 | 177.9 | -177 | 0 | 0 | 0 | 0 | 109.2 | I540 L556 V563 L572 L576 I581 I582 | I540-V574 HydrophobicContact CD1-CG2 4.07Å; L556-V574 HydrophobicContact CD1-CG1 4.23Å; V563-V574 HydrophobicContact CG1-CG2 4.38Å; V563-V574 HydrophobicContact CG2-CG1 4.33Å; V563-V574 HydrophobicContact CG2-CG2 4.25Å; L572-V574 HydrophobicContact CD2-CG2 3.78Å; L572-V574 HydrophobicContact CG-CG2 4.03Å; V574-L576 HydrophobicContact CG1-CD2 4.06Å; V574-I581 WeakPolarHBondContact O-CA 3.28Å; V574-I582 HydrophobicContact CB-CD1 4.21Å; V574-I582 HydrophobicContact CB-CG1 3.76Å; V574-I582 PolarHBondContact N-O 2.84Å; V574-I582 PolarHBondContact O-N 2.79Å |
| 575 | A | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 132.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L561 L562 C603 M606 | L561-A575 PolarHBondContact N-O 2.97Å; L562-A575 HydrophobicContact CB-CB 4.05Å; L562-A575 PolarHBondContact O-N 2.86Å; A575-C603 HydrophobicContact CB-CB 3.85Å; A575-M606 HydrophobicContact CB-CE 3.2Å |
| 576 | L | 94.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 159.3 | -177.7 | -60.5 | 175.6 | 0 | 0 | 0 | 111.6 | L556 P557 S558 T559 V574 N578 A579 I580 I582 | L556-L576 HydrophobicContact CB-CD2 4.45Å; L556-L576 HydrophobicContact CD1-CD2 4.28Å; P557-L576 HydrophobicContact CG-CD1 3.69Å; S558-L576 WeakPolarHBondContact OG-CB 3.15Å; T559-L576 CarbonylContact O-C 3.56Å; T559-L576 WeakPolarHBondContact O-CA 3.46Å; V574-L576 HydrophobicContact CG1-CD2 4.06Å; L576-N578 WeakPolarHBondContact CB-OD1 3.24Å; L576-N578 PolarHBondContact O-N 3.01Å; L576-A579 PolarHBondContact O-N 3.48Å; L576-A579 VanDerWaalsContact O-N 3.16Å; L576-I580 VanDerWaalsContact CB-O 3.29Å; L576-I580 WeakPolarHBondContact CB-O 3.35Å; L576-I580 HydrophobicContact CD1-CB 4.24Å; L576-I580 HydrophobicContact CD1-CG2 4.41Å; L576-I580 PolarHBondContact N-O 2.69Å; L576-I582 HydrophobicContact CD1-CG2 3.99Å |
| 577 | S | 91.9 | Very high | 93.1 | Very high | 47 Ų | 47 | 24.1 Ų | 24.1 | 33% | 0.329 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.7 | 179.3 | 53.1 | 0 | 0 | 0 | 0 | 115.2 | T559 A579 L602 | T559-S577 PolarHBondContact N-OG 2.77Å; T559-S577 PolarHBondContact O-N 2.9Å; T559-S577 PolarHBondContact O-OG 2.91Å; T559-S577 WeakPolarHBondContact OG1-CB 3.5Å; T559-S577 PolarHBondContact OG1-OG 2.92Å; S577-A579 PolarHBondContact O-N 3.15Å; S577-L602 WeakPolarHBondContact O-CD2 3.32Å |
| 578 | N | 89.9 | Confident | 93.2 | Very high | 52 Ų | 52 | 29.4 Ų | 29.4 | 28% | 0.278 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 20.1 | 171.3 | 64.4 | -3.3 | 0 | 0 | 0 | 112.9 | S558 L576 I580 | S558-N578 VanDerWaalsContact OG-CG 3.28Å; S558-N578 PolarHBondContact OG-ND2 3.42Å; S558-N578 PolarHBondContact OG-OD1 3.1Å; L576-N578 WeakPolarHBondContact CB-OD1 3.24Å; L576-N578 PolarHBondContact O-N 3.01Å; N578-I580 WeakPolarHBondContact ND2-CD1 3.15Å; N578-I580 PolarHBondContact O-N 3.21Å; N578-I580 VanDerWaalsContact O-N 3.1Å; N578-I580 WeakPolarHBondContact OD1-CB 3.14Å; N578-I580 PolarHBondContact OD1-N 2.83Å |
| 579 | A | 89 | Confident | 93.4 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 66.5 | -1.5 | -178 | 0 | 0 | 0 | 0 | 0 | 116.5 | L576 S577 N597 S598 L602 | L576-A579 PolarHBondContact O-N 3.48Å; L576-A579 VanDerWaalsContact O-N 3.16Å; S577-A579 PolarHBondContact O-N 3.15Å; A579-N597 HydrophobicContact CB-CB 3.97Å; A579-N597 WeakPolarHBondContact O-CB 3.49Å; A579-N597 PolarHBondContact O-ND2 3.14Å; A579-S598 WeakPolarHBondContact CB-O 3.27Å; A579-L602 HydrophobicContact CB-CD2 4.34Å |
| 580 | I | 93.4 | Very high | 93.5 | Very high | 44 Ų | 44 | 33.9 Ų | 33.9 | 23% | 0.226 | 17% | 0.165 | C | C | . | . | trans | -75.3 | 140.6 | 175.8 | -57.6 | 179.1 | 0 | 0 | 0 | 110.1 | L576 N578 I582 F595 | L576-I580 VanDerWaalsContact CB-O 3.29Å; L576-I580 WeakPolarHBondContact CB-O 3.35Å; L576-I580 HydrophobicContact CD1-CB 4.24Å; L576-I580 HydrophobicContact CD1-CG2 4.41Å; L576-I580 PolarHBondContact N-O 2.69Å; N578-I580 WeakPolarHBondContact ND2-CD1 3.15Å; N578-I580 PolarHBondContact O-N 3.21Å; N578-I580 VanDerWaalsContact O-N 3.1Å; N578-I580 WeakPolarHBondContact OD1-CB 3.14Å; N578-I580 PolarHBondContact OD1-N 2.83Å; I580-I582 HydrophobicContact CG2-CG2 4.02Å; I580-F595 WeakPolarHBondContact CA-O 3.34Å | ||
| 581 | I | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.1 | 170.3 | -53.3 | 166.9 | 0 | 0 | 0 | 108.4 | V574 F595 M606 L615 | V574-I581 WeakPolarHBondContact O-CA 3.28Å; I581-F595 HydrophobicContact CB-CB 4.3Å; I581-F595 HydrophobicContact CB-CD2 4.25Å; I581-F595 HydrophobicContact CG2-CD2 4.34Å; I581-F595 PolarHBondContact N-O 3.1Å; I581-F595 PolarHBondContact O-N 3.13Å; I581-M606 HydrophobicContact CB-CE 4.38Å; I581-M606 HydrophobicContact CD1-CE 3.76Å; I581-M606 HydrophobicContact CG1-CE 3.79Å; I581-M606 HydrophobicContact CG2-CE 3.69Å; I581-M606 HydrophobicContact CG2-SD 4Å; I581-L615 HydrophobicContact CD1-CD2 4.42Å; I581-L615 HydrophobicContact CG2-CD2 3.86Å |
| 582 | I | 95.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 145 | 178 | 63.5 | 171.7 | 0 | 0 | 0 | 110.5 | L556 A573 V574 L576 I580 V584 V591 T594 | L556-I582 HydrophobicContact CD2-CD1 3.36Å; A573-I582 WeakPolarHBondContact CA-O 3.36Å; V574-I582 HydrophobicContact CB-CD1 4.21Å; V574-I582 HydrophobicContact CB-CG1 3.76Å; V574-I582 PolarHBondContact N-O 2.84Å; V574-I582 PolarHBondContact O-N 2.79Å; L576-I582 HydrophobicContact CD1-CG2 3.99Å; I580-I582 HydrophobicContact CG2-CG2 4.02Å; I582-V584 HydrophobicContact CD1-CG2 4.09Å; I582-V584 HydrophobicContact CG1-CG2 4.39Å; I582-V591 HydrophobicContact CB-CG1 4.21Å; I582-T594 HydrophobicContact CG2-CG2 3.91Å |
| 583 | L | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.6 | 169 | -62.6 | -174.2 | 0 | 0 | 0 | 109.8 | V571 L572 A573 V591 I592 R593 F595 I630 | V571-L583 HydrophobicContact CG1-CB 4.02Å; V571-L583 HydrophobicContact CG1-CD1 4.45Å; V571-L583 HydrophobicContact CG1-CD2 4.16Å; V571-L583 HydrophobicContact CG1-CG 4.44Å; L572-L583 WeakPolarHBondContact O-CA 3.19Å; A573-L583 HydrophobicContact CB-CD2 3.48Å; A573-L583 VanDerWaalsContact CB-CD2 3.48Å; L583-V591 CarbonylContact O-C 3.6Å; L583-V591 WeakPolarHBondContact O-CA 3.32Å; L583-I592 PolarHBondContact O-N 3.17Å; L583-R593 HydrophobicContact CB-CB 4.1Å; L583-R593 HydrophobicContact CD1-CB 4.02Å; L583-R593 HydrophobicContact CD1-CG 4.27Å; L583-R593 HydrophobicContact CG-CB 4.19Å; L583-R593 PolarHBondContact N-O 2.78Å; L583-F595 HydrophobicContact CD1-CE2 3.68Å; L583-F595 HydrophobicContact CD1-CZ 3.98Å; L583-F595 HydrophobicContact CD2-CE2 4.29Å; L583-F595 HydrophobicContact CG-CE2 3.71Å; L583-F595 HydrophobicContact CG-CZ 4.48Å; L583-I630 HydrophobicContact CD1-CB 4.31Å; L583-I630 HydrophobicContact CD1-CD1 4.2Å; L583-I630 HydrophobicContact CD1-CG1 3.97Å; L583-I630 HydrophobicContact CD1-CG2 3.57Å |
| 584 | V | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.1 | -178.8 | -177 | 0 | 0 | 0 | 0 | 109.6 | I540 F542 L554 L572 I582 K590 V591 | I540-V584 HydrophobicContact CD1-CG2 4.08Å; F542-V584 HydrophobicContact CZ-CG1 4.39Å; L554-V584 HydrophobicContact CD2-CG1 3.67Å; L554-V584 HydrophobicContact CD2-CG2 4.05Å; L572-V584 HydrophobicContact CB-CB 4.35Å; L572-V584 PolarHBondContact N-O 2.89Å; L572-V584 PolarHBondContact O-N 2.94Å; I582-V584 HydrophobicContact CD1-CG2 4.09Å; I582-V584 HydrophobicContact CG1-CG2 4.39Å; V584-K590 WeakPolarHBondContact CA-O 3.26Å; V584-V591 HydrophobicContact CG2-CG2 4.22Å |
| 585 | D | 94.2 | Very high | 93.2 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 124.9 | 166.8 | -165 | -36.5 | 0 | 0 | 0 | 109.4 | I587 H588 R589 K590 I592 | D585-I587 WeakPolarHBondContact OD1-CA 3.43Å; D585-I587 WeakPolarHBondContact OD1-CB 3.19Å; D585-I587 PolarHBondContact OD1-N 3.26Å; D585-H588 HydrophobicContact CB-CB 4.26Å; D585-H588 PolarHBondContact OD1-N 2.8Å; D585-H588 IonicContact OD1-ND1 3.9Å; D585-H588 IonicContact OD2-CE1 3.98Å; D585-H588 IonicContact OD2-CG 3.01Å; D585-H588 IonicContact OD2-ND1 2.61Å; D585-H588 PolarHBondContact OD2-ND1 3.05Å; D585-R589 WeakPolarHBondContact O-CA 3.41Å; D585-R589 PolarHBondContact O-N 3.12Å; D585-K590 PolarHBondContact N-O 3.07Å; D585-K590 PolarHBondContact O-N 3.33Å; D585-I592 HydrophobicContact CB-CD1 3.48Å; D585-I592 VanDerWaalsContact CB-CD1 3.48Å; D585-I592 HydrophobicContact CB-CG1 3.72Å |
| 586 | I | 91.7 | Very high | 92.9 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -28.9 | 179.4 | -70.5 | 127.9 | 0 | 0 | 0 | 112.7 | V531 I533 F542 F565 D570 L572 R589 | V531-I586 HydrophobicContact CG1-CG2 4.37Å; I533-I586 HydrophobicContact CD1-CB 4.32Å; I533-I586 HydrophobicContact CD1-CD1 3.73Å; I533-I586 HydrophobicContact CD1-CG1 3.54Å; I533-I586 HydrophobicContact CD1-CG2 3.82Å; I533-I586 HydrophobicContact CG1-CG1 4.14Å; I533-I586 HydrophobicContact CG1-CG2 4.08Å; F542-I586 HydrophobicContact CE1-CG1 4.29Å; F542-I586 HydrophobicContact CE1-CG2 4.4Å; F565-I586 HydrophobicContact CD2-CD1 3.65Å; F565-I586 HydrophobicContact CE2-CD1 3.32Å; F565-I586 HydrophobicContact CE2-CG1 4.49Å; D570-I586 WeakPolarHBondContact O-CD1 3.41Å; D570-I586 PolarHBondContact O-N 2.9Å; L572-I586 HydrophobicContact CB-CD1 3.83Å; L572-I586 HydrophobicContact CB-CG1 4.35Å; I586-R589 WeakPolarHBondContact O-CG 3.39Å |
| 587 | I | 90.4 | Very high | 92.5 | Very high | 111 Ų | 111 | 50.6 Ų | 50.6 | 57% | 0.569 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -52.7 | 179.9 | -59.9 | 173.7 | 0 | 0 | 0 | 108.7 | D570 D585 | D570-I587 HydrophobicContact CB-CD1 4.42Å; D570-I587 HydrophobicContact CB-CG1 4.34Å; D585-I587 WeakPolarHBondContact OD1-CA 3.43Å; D585-I587 WeakPolarHBondContact OD1-CB 3.19Å; D585-I587 PolarHBondContact OD1-N 3.26Å |
| 588 | H | 91 | Very high | 92 | Very high | 129 Ų | 129 | 51.3 Ų | 51.3 | 60% | 0.597 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -15.3 | -178.1 | -58.7 | 99.1 | 0 | 0 | 0 | 113.7 | D585 K590 | D585-H588 HydrophobicContact CB-CB 4.26Å; D585-H588 PolarHBondContact OD1-N 2.8Å; D585-H588 IonicContact OD1-ND1 3.9Å; D585-H588 IonicContact OD2-CE1 3.98Å; D585-H588 IonicContact OD2-CG 3.01Å; D585-H588 IonicContact OD2-ND1 2.61Å; D585-H588 PolarHBondContact OD2-ND1 3.05Å; H588-K590 VanDerWaalsContact C-N 3.32Å; H588-K590 PolarHBondContact O-N 2.58Å |
| 589 | R | 92 | Very high | 91.4 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 36% | 0.362 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 41 | 179.9 | -50.6 | 175 | -144.9 | 173.8 | 6.1 | 112.6 | F542 R551 D585 I586 | F542-R589 HydrophobicContact CD1-CG 4.36Å; F542-R589 HydrophobicContact CD2-CB 4.43Å; F542-R589 HydrophobicContact CD2-CG 4.12Å; F542-R589 HydrophobicContact CE1-CG 4.21Å; F542-R589 HydrophobicContact CE2-CB 3.88Å; F542-R589 HydrophobicContact CE2-CG 3.97Å; F542-R589 HydrophobicContact CG-CG 4.31Å; F542-R589 HydrophobicContact CZ-CB 4.01Å; F542-R589 HydrophobicContact CZ-CG 4.02Å; R551-R589 PolarHBondContact O-NH1 2.9Å; D585-R589 WeakPolarHBondContact O-CA 3.41Å; D585-R589 PolarHBondContact O-N 3.12Å; I586-R589 WeakPolarHBondContact O-CG 3.39Å |
| 590 | K | 93.4 | Very high | 91 | Very high | 146 Ų | 146 | 60.9 Ų | 60.9 | 64% | 0.635 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 151.8 | -177.7 | -70.8 | -177.7 | -179.1 | -177.3 | 0 | 110.5 | V584 D585 H588 I592 | V584-K590 WeakPolarHBondContact CA-O 3.26Å; D585-K590 PolarHBondContact N-O 3.07Å; D585-K590 PolarHBondContact O-N 3.33Å; H588-K590 VanDerWaalsContact C-N 3.32Å; H588-K590 PolarHBondContact O-N 2.58Å; K590-I592 PolarHBondContact O-N 3.24Å |
| 591 | V | 94.3 | Very high | 90.5 | Very high | 67 Ų | 67 | 59 Ų | 59 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 123 | 170.3 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | L554 I582 L583 V584 R593 T594 | L554-V591 HydrophobicContact CD2-CG2 4.3Å; I582-V591 HydrophobicContact CB-CG1 4.21Å; L583-V591 CarbonylContact O-C 3.6Å; L583-V591 WeakPolarHBondContact O-CA 3.32Å; V584-V591 HydrophobicContact CG2-CG2 4.22Å; V591-R593 WeakPolarHBondContact CG1-O 3.5Å; V591-T594 HydrophobicContact CG1-CG2 3.84Å |
| 592 | I | 93.8 | Very high | 90.2 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -40.5 | 178.7 | -52.8 | 162.6 | 0 | 0 | 0 | 111 | V571 L583 D585 K590 | V571-I592 HydrophobicContact CG2-CD1 4.32Å; L583-I592 PolarHBondContact O-N 3.17Å; D585-I592 HydrophobicContact CB-CD1 3.48Å; D585-I592 VanDerWaalsContact CB-CD1 3.48Å; D585-I592 HydrophobicContact CB-CG1 3.72Å; K590-I592 PolarHBondContact O-N 3.24Å |
| 593 | R | 93.7 | Very high | 90.1 | Very high | 87 Ų | 87 | 62.2 Ų | 62.2 | 33% | 0.328 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 152.1 | -174.6 | -61.5 | -64.5 | -176.7 | -125.5 | 12.3 | 111.5 | L583 V591 F595 I630 V631 | L583-R593 HydrophobicContact CB-CB 4.1Å; L583-R593 HydrophobicContact CD1-CB 4.02Å; L583-R593 HydrophobicContact CD1-CG 4.27Å; L583-R593 HydrophobicContact CG-CB 4.19Å; L583-R593 PolarHBondContact N-O 2.78Å; V591-R593 WeakPolarHBondContact CG1-O 3.5Å; R593-F595 HydrophobicContact CB-CE2 4.42Å; R593-F595 HydrophobicContact CB-CZ 4.27Å; R593-I630 PolarHBondContact NE-O 3.11Å; R593-I630 VanDerWaalsContact NE-O 3.09Å; R593-V631 PolarHBondContact NH2-O 2.93Å |
| 594 | T | 94 | Very high | 89.9 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 40% | 0.399 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 119.6 | 174.6 | 55.2 | 0 | 0 | 0 | 0 | 109.2 | I582 V591 | I582-T594 HydrophobicContact CG2-CG2 3.91Å; V591-T594 HydrophobicContact CG1-CG2 3.84Å |
| 595 | F | 92.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.009 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.2 | 175.3 | -52.3 | -73.5 | 0 | 0 | 0 | 109.1 | I580 I581 L583 R593 L615 W628 I630 N633 | I580-F595 WeakPolarHBondContact CA-O 3.34Å; I581-F595 HydrophobicContact CB-CB 4.3Å; I581-F595 HydrophobicContact CB-CD2 4.25Å; I581-F595 HydrophobicContact CG2-CD2 4.34Å; I581-F595 PolarHBondContact N-O 3.1Å; I581-F595 PolarHBondContact O-N 3.13Å; L583-F595 HydrophobicContact CD1-CE2 3.68Å; L583-F595 HydrophobicContact CD1-CZ 3.98Å; L583-F595 HydrophobicContact CD2-CE2 4.29Å; L583-F595 HydrophobicContact CG-CE2 3.71Å; L583-F595 HydrophobicContact CG-CZ 4.48Å; R593-F595 HydrophobicContact CB-CE2 4.42Å; R593-F595 HydrophobicContact CB-CZ 4.27Å; F595-L615 HydrophobicContact CD2-CD2 3.49Å; F595-L615 VanDerWaalsContact CD2-CD2 3.49Å; F595-L615 HydrophobicContact CE2-CB 4.48Å; F595-L615 HydrophobicContact CE2-CD2 3.41Å; F595-L615 VanDerWaalsContact CE2-CD2 3.41Å; F595-L615 HydrophobicContact CG-CD2 4.42Å; F595-L615 HydrophobicContact CZ-CD2 4.31Å; F595-W628 HydrophobicContact CB-CD2 4.17Å; F595-W628 HydrophobicContact CB-CE3 4.25Å; F595-W628 HydrophobicContact CB-CZ2 4.45Å; F595-W628 HydrophobicContact CB-CZ3 4.41Å; F595-W628 HydrophobicContact CD1-CB 3.91Å; F595-W628 AromaticContact CD1-CD2 3.77Å; F595-W628 HydrophobicContact CD1-CD2 3.77Å; F595-W628 AromaticContact CD1-CE3 3.59Å; F595-W628 HydrophobicContact CD1-CE3 3.59Å; F595-W628 AromaticContact CD1-CG 3.93Å; F595-W628 HydrophobicContact CD1-CG 3.93Å; F595-W628 HydrophobicContact CD1-CZ3 4.34Å; F595-W628 HydrophobicContact CE1-CB 3.67Å; F595-W628 HydrophobicContact CE1-CD2 4.44Å; F595-W628 HydrophobicContact CE1-CE3 4.34Å; F595-W628 HydrophobicContact CE1-CG 4.21Å; F595-W628 HydrophobicContact CG-CD2 4.11Å; F595-W628 HydrophobicContact CG-CE3 4.24Å; F595-W628 HydrophobicContact CG-CG 4.24Å; F595-W628 HydrophobicContact CZ-CB 4.1Å; F595-I630 HydrophobicContact CZ-CG1 4.3Å; F595-N633 WeakPolarHBondContact CD1-OD1 3.27Å; F595-N633 WeakPolarHBondContact CE1-OD1 3.45Å |
| 596 | I | 89.6 | Confident | 89.9 | Confident | 91 Ų | 91 | 62.1 Ų | 62.1 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | trans | -96.4 | 129.5 | -175.8 | -56.5 | 171.6 | 0 | 0 | 0 | 108.1 | I686 | I596-I686 HydrophobicContact CB-CG2 4.49Å; I596-I686 WeakPolarHBondContact O-CG2 3.23Å | ||
| 597 | N | 85.7 | Confident | 90.1 | Very high | 9 Ų | 9 | 63.7 Ų | 63.7 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | trans | -119.9 | 162 | 169.8 | -65.1 | -68.7 | 0 | 0 | 0 | 109.8 | A579 Q601 H619 K626 W628 | A579-N597 HydrophobicContact CB-CB 3.97Å; A579-N597 WeakPolarHBondContact O-CB 3.49Å; A579-N597 PolarHBondContact O-ND2 3.14Å; N597-Q601 HydrophobicContact CB-CB 4.31Å; N597-H619 VanDerWaalsContact CG-CE1 3.49Å; N597-H619 PolarHBondContact ND2-CE1 2.98Å; N597-K626 WeakPolarHBondContact OD1-CD 3.36Å; N597-K626 PolarHBondContact OD1-NZ 3.26Å; N597-W628 VanDerWaalsContact OD1-CZ2 3.27Å; N597-W628 WeakPolarHBondContact OD1-CZ2 3.13Å | ||
| 598 | S | 81.9 | Confident | 90.3 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 43% | 0.434 | 30% | 0.296 | S | S | . | . | trans | -62.4 | 145.8 | 169.5 | -176 | 0 | 0 | 0 | 0 | 110.5 | A579 V600 Q601 | A579-S598 WeakPolarHBondContact CB-O 3.27Å; S598-V600 PolarHBondContact O-N 2.89Å; S598-V600 VanDerWaalsContact O-N 3.07Å; S598-Q601 WeakPolarHBondContact O-CA 3.22Å; S598-Q601 WeakPolarHBondContact O-CB 3.44Å; S598-Q601 PolarHBondContact O-N 2.88Å | ||
| 599 | E | 78.1 | Confident | 90.4 | Very high | 162 Ų | 162 | 52.9 Ų | 52.9 | 76% | 0.757 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.9 | -177.8 | -63.1 | -176.7 | 169.1 | 0 | 0 | 113.4 | Q601 | E599-Q601 VanDerWaalsContact C-N 3.27Å; E599-Q601 PolarHBondContact O-N 3.15Å |
| 600 | V | 79.6 | Confident | 90.2 | Very high | 93 Ų | 93 | 52.8 Ų | 52.8 | 56% | 0.564 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -22.2 | 175.7 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | S598 L602 | S598-V600 PolarHBondContact O-N 2.89Å; S598-V600 VanDerWaalsContact O-N 3.07Å; V600-L602 PolarHBondContact O-N 3.29Å |
| 601 | Q | 82.8 | Confident | 90 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.023 | 26% | 0.261 | C | S | . | . | trans | -97.5 | 61.4 | -170.1 | -64.1 | 176.8 | -7.9 | 0 | 0 | 112.3 | N597 S598 E599 C603 H619 H620 D622 | N597-Q601 HydrophobicContact CB-CB 4.31Å; S598-Q601 WeakPolarHBondContact O-CA 3.22Å; S598-Q601 WeakPolarHBondContact O-CB 3.44Å; S598-Q601 PolarHBondContact O-N 2.88Å; E599-Q601 VanDerWaalsContact C-N 3.27Å; E599-Q601 PolarHBondContact O-N 3.15Å; Q601-C603 PolarHBondContact O-N 3.47Å; Q601-H619 HydrophobicContact CB-CB 4.06Å; Q601-H619 PolarHBondContact O-ND1 3.26Å; Q601-H620 WeakPolarHBondContact CA-O 3.42Å; Q601-D622 HydrophobicContact CG-CB 4.3Å; Q601-D622 PolarHBondContact NE2-OD2 2.89Å | ||
| 602 | L | 89.1 | Confident | 89.8 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 34% | 0.335 | 25% | 0.25 | S | S | . | . | trans | -64.6 | 133.8 | 178 | -64.5 | 176 | 0 | 0 | 0 | 111.8 | S577 A579 V600 V604 H619 H620 | S577-L602 WeakPolarHBondContact O-CD2 3.32Å; A579-L602 HydrophobicContact CB-CD2 4.34Å; V600-L602 PolarHBondContact O-N 3.29Å; L602-V604 PolarHBondContact O-N 2.99Å; L602-H619 CarbonylContact O-C 3.59Å; L602-H619 VanDerWaalsContact O-CA 3.32Å; L602-H619 WeakPolarHBondContact O-CA 3.5Å; L602-H620 PolarHBondContact O-N 2.96Å | ||
| 603 | C | 92.6 | Very high | 89.7 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 124 | -179.5 | -171 | 0 | 0 | 0 | 0 | 111.6 | A575 Q601 D605 M606 A618 | A575-C603 HydrophobicContact CB-CB 3.85Å; Q601-C603 PolarHBondContact O-N 3.47Å; C603-D605 PolarHBondContact SG-O 3.45Å; C603-M606 HydrophobicContact CB-CE 4.22Å; C603-M606 WeakPolarHBondContact SG-CE 3.48Å; C603-A618 CarbonylContact C-O 3.51Å; C603-A618 WeakPolarHBondContact CA-O 3.29Å |
| 604 | V | 92.7 | Very high | 89.6 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 15% | 0.145 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -51.5 | 177.5 | -167.1 | 0 | 0 | 0 | 0 | 111.3 | L602 A618 H620 | L602-V604 PolarHBondContact O-N 2.99Å; V604-A618 HydrophobicContact CB-CB 4.44Å; V604-A618 PolarHBondContact N-O 3.49Å; V604-H620 WeakPolarHBondContact CG1-NE2 3.43Å; V604-H620 HydrophobicContact CG2-CB 4.13Å; V604-H620 WeakPolarHBondContact CG2-CD2 3.3Å; V604-H620 VanDerWaalsContact CG2-CE1 3.45Å; V604-H620 WeakPolarHBondContact CG2-CE1 3.2Å; V604-H620 WeakPolarHBondContact CG2-ND1 3.29Å; V604-H620 WeakPolarHBondContact CG2-NE2 3.25Å |
| 605 | D | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 154.1 | 179.9 | -153.5 | -3.4 | 0 | 0 | 0 | 108.5 | R564 C603 A618 S647 I648 | R564-D605 IonicContact CZ-OD1 3.69Å; R564-D605 IonicContact NE-OD1 3.73Å; R564-D605 PolarHBondContact NE-OD1 2.91Å; R564-D605 IonicContact NH2-OD1 3.4Å; R564-D605 PolarHBondContact NH2-OD1 2.83Å; R564-D605 IonicContact NH2-OD2 2.91Å; C603-D605 PolarHBondContact SG-O 3.45Å; D605-A618 PolarHBondContact O-N 3.32Å; D605-S647 WeakPolarHBondContact OD2-CA 3.21Å; D605-S647 WeakPolarHBondContact OD2-CB 3.21Å; D605-S647 PolarHBondContact OD2-OG 3.49Å; D605-I648 HydrophobicContact CB-CB 4.34Å; D605-I648 PolarHBondContact OD2-N 3.31Å |
| 606 | M | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 159.5 | 175.6 | 67.7 | -178.5 | 56.8 | 0 | 0 | 109.8 | L562 R564 A573 A575 I581 C603 L615 V616 | L562-M606 HydrophobicContact CD2-CE 4.45Å; L562-M606 HydrophobicContact CD2-CG 3.92Å; R564-M606 HydrophobicContact CB-CG 4.3Å; R564-M606 WeakPolarHBondContact CD-O 3.36Å; R564-M606 HydrophobicContact CG-CG 3.61Å; R564-M606 WeakPolarHBondContact CG-O 3.29Å; R564-M606 PolarHBondContact NE-O 2.73Å; A573-M606 HydrophobicContact CB-SD 3.71Å; A575-M606 HydrophobicContact CB-CE 3.2Å; I581-M606 HydrophobicContact CB-CE 4.38Å; I581-M606 HydrophobicContact CD1-CE 3.76Å; I581-M606 HydrophobicContact CG1-CE 3.79Å; I581-M606 HydrophobicContact CG2-CE 3.69Å; I581-M606 HydrophobicContact CG2-SD 4Å; C603-M606 HydrophobicContact CB-CE 4.22Å; C603-M606 WeakPolarHBondContact SG-CE 3.48Å; M606-L615 HydrophobicContact CB-CD1 4.36Å; M606-L615 HydrophobicContact SD-CD1 4.34Å; M606-V616 CarbonylContact C-O 3.56Å; M606-V616 WeakPolarHBondContact CA-O 3.35Å; M606-V616 WeakPolarHBondContact CB-O 3.46Å |
| 607 | D | 95.4 | Very high | 90.1 | Very high | 39 Ų | 39 | 41 Ų | 41 | 21% | 0.209 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 153.4 | 170.3 | -153.1 | 3.2 | 0 | 0 | 0 | 110.8 | V616 A649 L650 | D607-V616 PolarHBondContact N-O 2.87Å; D607-V616 PolarHBondContact O-N 3.27Å; D607-A649 WeakPolarHBondContact OD2-CA 3.46Å; D607-L650 HydrophobicContact CB-CB 4.46Å; D607-L650 HydrophobicContact CB-CD1 4.2Å; D607-L650 HydrophobicContact CB-CG 4.26Å; D607-L650 PolarHBondContact OD2-N 2.83Å |
| 608 | I | 94.8 | Very high | 90.5 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.1 | 178.5 | -62.8 | 166.3 | 0 | 0 | 0 | 107.8 | H566 A573 L615 I630 | H566-I608 HydrophobicContact CB-CB 4.25Å; H566-I608 HydrophobicContact CB-CD1 3.78Å; H566-I608 HydrophobicContact CB-CG2 4.09Å; A573-I608 HydrophobicContact CB-CD1 3.93Å; I608-L615 HydrophobicContact CG1-CD1 3.71Å; I608-I630 HydrophobicContact CG2-CD1 3.96Å |
| 609 | S | 92.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -61.9 | 149.3 | 175.2 | 69.1 | 0 | 0 | 0 | 0 | 110.8 | H566 D611 G612 R613 W614 | H566-S609 PolarHBondContact NE2-O 3.09Å; S609-D611 WeakPolarHBondContact CB-OD1 3.41Å; S609-D611 PolarHBondContact O-N 2.92Å; S609-D611 PolarHBondContact OG-OD1 2.85Å; S609-G612 WeakPolarHBondContact O-CA 3.5Å; S609-G612 PolarHBondContact O-N 3.28Å; S609-R613 PolarHBondContact OG-N 2.94Å; S609-W614 PolarHBondContact N-O 3Å; S609-W614 PolarHBondContact OG-N 2.97Å; S609-W614 PolarHBondContact OG-O 3.11Å | ||
| 610 | F | 88.1 | Confident | 91.1 | Very high | 93 Ų | 93 | 34.4 Ų | 34.4 | 41% | 0.408 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -28.3 | -172.7 | -179.1 | -105.9 | 0 | 0 | 0 | 113.9 | H566 D568 G612 R652 N654 | H566-F610 PolarHBondContact CE1-O 2.87Å; H566-F610 PolarHBondContact NE2-O 3.35Å; H566-F610 VanDerWaalsContact NE2-O 3.13Å; D568-F610 WeakPolarHBondContact OD2-CE2 3.37Å; D568-F610 WeakPolarHBondContact OD2-CZ 3.4Å; F610-G612 PolarHBondContact O-N 3.45Å; F610-R652 WeakPolarHBondContact CB-O 3.31Å; F610-R652 VanDerWaalsContact CD1-O 3.24Å; F610-R652 WeakPolarHBondContact CD1-O 3.46Å; F610-R652 HydrophobicContact CD2-CB 4.17Å; F610-R652 HydrophobicContact CD2-CG 4.24Å; F610-R652 HydrophobicContact CG-CB 4.37Å; F610-R652 WeakPolarHBondContact CG-O 3.11Å; F610-N654 PolarHBondContact N-OD1 3.44Å |
| 611 | D | 88.3 | Confident | 91 | Very high | 79 Ų | 79 | 32.6 Ų | 32.6 | 42% | 0.422 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -2.7 | 172.4 | 61.5 | -23 | 0 | 0 | 0 | 113.3 | S609 R613 N654 | S609-D611 WeakPolarHBondContact CB-OD1 3.41Å; S609-D611 PolarHBondContact O-N 2.92Å; S609-D611 PolarHBondContact OG-OD1 2.85Å; D611-R613 HydrophobicContact CB-CG 4.35Å; D611-R613 PolarHBondContact O-N 2.96Å; D611-R613 VanDerWaalsContact OD2-CD 3.28Å; D611-R613 WeakPolarHBondContact OD2-CD 3.09Å; D611-R613 WeakPolarHBondContact OD2-CG 3.24Å; D611-R613 IonicContact OD2-NE 3.75Å; D611-N654 PolarHBondContact OD1-ND2 2.53Å |
| 612 | G | 90.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 67.8 | 16.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S609 F610 I630 | S609-G612 WeakPolarHBondContact O-CA 3.5Å; S609-G612 PolarHBondContact O-N 3.28Å; F610-G612 PolarHBondContact O-N 3.45Å; G612-I630 WeakPolarHBondContact O-CD1 3.47Å |
| 613 | R | 91 | Very high | 90.5 | Very high | 154 Ų | 154 | 33.3 Ų | 33.3 | 58% | 0.581 | 18% | 0.175 | S | C | * | . | trans | -90.1 | -36.1 | -177.3 | -65.6 | -171.2 | -178.2 | -175.5 | -1 | 113.1 | S609 D611 I630 | S609-R613 PolarHBondContact OG-N 2.94Å; D611-R613 HydrophobicContact CB-CG 4.35Å; D611-R613 PolarHBondContact O-N 2.96Å; D611-R613 VanDerWaalsContact OD2-CD 3.28Å; D611-R613 WeakPolarHBondContact OD2-CD 3.09Å; D611-R613 WeakPolarHBondContact OD2-CG 3.24Å; D611-R613 IonicContact OD2-NE 3.75Å; R613-I630 WeakPolarHBondContact O-CB 3.47Å; R613-I630 WeakPolarHBondContact O-CG1 3.41Å; R613-I630 PolarHBondContact O-N 2.88Å | ||
| 614 | W | 93.1 | Very high | 90.3 | Very high | 37 Ų | 37 | 32.9 Ų | 32.9 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.5 | -174.5 | -61.7 | -16.9 | 0 | 0 | 0 | 112 | I4 S609 T627 W628 A674 L681 | I4-W614 HydrophobicContact CD1-CH2 4.04Å; I4-W614 HydrophobicContact CD1-CZ2 4.48Å; I4-W614 HydrophobicContact CD1-CZ3 4.14Å; I4-W614 HydrophobicContact CG2-CH2 4.03Å; I4-W614 HydrophobicContact CG2-CZ3 3.66Å; S609-W614 PolarHBondContact N-O 3Å; S609-W614 PolarHBondContact OG-N 2.97Å; S609-W614 PolarHBondContact OG-O 3.11Å; W614-T627 HydrophobicContact CB-CG2 4.19Å; W614-T627 HydrophobicContact CD2-CG2 4.28Å; W614-T627 HydrophobicContact CE3-CG2 4.28Å; W614-T627 HydrophobicContact CG-CG2 4.27Å; W614-W628 CarbonylContact C-O 3.49Å; W614-W628 VanDerWaalsContact CA-O 3.25Å; W614-W628 WeakPolarHBondContact CA-O 3.25Å; W614-A674 HydrophobicContact CH2-CB 3.5Å; W614-A674 HydrophobicContact CZ2-CB 4.48Å; W614-A674 HydrophobicContact CZ3-CB 4.13Å; W614-L681 HydrophobicContact CH2-CD1 4.43Å; W614-L681 HydrophobicContact CZ2-CD1 4.19Å |
| 615 | L | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.9 | 166.4 | 172.9 | 74.3 | 0 | 0 | 0 | 108.2 | A573 I581 F595 M606 I608 T627 W628 I630 | A573-L615 HydrophobicContact CB-CD1 4.29Å; I581-L615 HydrophobicContact CD1-CD2 4.42Å; I581-L615 HydrophobicContact CG2-CD2 3.86Å; F595-L615 HydrophobicContact CD2-CD2 3.49Å; F595-L615 VanDerWaalsContact CD2-CD2 3.49Å; F595-L615 HydrophobicContact CE2-CB 4.48Å; F595-L615 HydrophobicContact CE2-CD2 3.41Å; F595-L615 VanDerWaalsContact CE2-CD2 3.41Å; F595-L615 HydrophobicContact CG-CD2 4.42Å; F595-L615 HydrophobicContact CZ-CD2 4.31Å; M606-L615 HydrophobicContact CB-CD1 4.36Å; M606-L615 HydrophobicContact SD-CD1 4.34Å; I608-L615 HydrophobicContact CG1-CD1 3.71Å; L615-T627 WeakPolarHBondContact O-CA 3.45Å; L615-W628 HydrophobicContact CB-CB 4.27Å; L615-W628 PolarHBondContact N-O 3.48Å; L615-W628 PolarHBondContact O-N 2.94Å; L615-I630 HydrophobicContact CB-CD1 4.14Å; L615-I630 HydrophobicContact CB-CG1 4.09Å |
| 616 | V | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.5 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | Y5 M606 D607 V625 K626 T627 I648 L650 L657 | Y5-V616 VanDerWaalsContact OH-CG2 3.22Å; Y5-V616 WeakPolarHBondContact OH-CG2 3.41Å; M606-V616 CarbonylContact C-O 3.56Å; M606-V616 WeakPolarHBondContact CA-O 3.35Å; M606-V616 WeakPolarHBondContact CB-O 3.46Å; D607-V616 PolarHBondContact N-O 2.87Å; D607-V616 PolarHBondContact O-N 3.27Å; V616-V625 HydrophobicContact CG1-CG1 3.72Å; V616-K626 CarbonylContact C-O 3.56Å; V616-K626 WeakPolarHBondContact CA-O 3.32Å; V616-T627 HydrophobicContact CG2-CG2 4.17Å; V616-I648 HydrophobicContact CG1-CD1 4.39Å; V616-I648 HydrophobicContact CG1-CG2 4.42Å; V616-L650 HydrophobicContact CB-CD1 4.32Å; V616-L650 HydrophobicContact CG2-CD1 3.86Å; V616-L650 HydrophobicContact CG2-CD2 4.38Å; V616-L650 HydrophobicContact CG2-CG 4.5Å; V616-L657 HydrophobicContact CG1-CD1 4.07Å |
| 617 | S | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.8 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | H619 V625 K626 W628 | S617-H619 PolarHBondContact OG-NE2 2.73Å; S617-V625 WeakPolarHBondContact O-CA 3.34Å; S617-K626 PolarHBondContact N-O 3.28Å; S617-K626 PolarHBondContact O-N 2.87Å; S617-W628 PolarHBondContact OG-NE1 3.15Å; S617-W628 VanDerWaalsContact OG-NE1 3.1Å |
| 618 | A | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 138.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | C603 V604 D605 I645 I648 | C603-A618 CarbonylContact C-O 3.51Å; C603-A618 WeakPolarHBondContact CA-O 3.29Å; V604-A618 HydrophobicContact CB-CB 4.44Å; V604-A618 PolarHBondContact N-O 3.49Å; D605-A618 PolarHBondContact O-N 3.32Å; A618-I645 HydrophobicContact CB-CB 4.11Å; A618-I645 HydrophobicContact CB-CD1 4.08Å; A618-I645 HydrophobicContact CB-CG2 3.94Å; A618-I648 HydrophobicContact CB-CD1 3.31Å; A618-I648 HydrophobicContact CB-CG1 3.89Å |
| 619 | H | 91.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.023 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 146.2 | -177.6 | -59.1 | -87.1 | 0 | 0 | 0 | 112.8 | N597 Q601 L602 S617 L624 | N597-H619 VanDerWaalsContact CG-CE1 3.49Å; N597-H619 PolarHBondContact ND2-CE1 2.98Å; Q601-H619 HydrophobicContact CB-CB 4.06Å; Q601-H619 PolarHBondContact O-ND1 3.26Å; L602-H619 CarbonylContact O-C 3.59Å; L602-H619 VanDerWaalsContact O-CA 3.32Å; L602-H619 WeakPolarHBondContact O-CA 3.5Å; S617-H619 PolarHBondContact OG-NE2 2.73Å; H619-L624 PolarHBondContact N-O 2.79Å |
| 620 | H | 81.4 | Confident | 90.1 | Very high | 90 Ų | 90 | 32.1 Ų | 32.1 | 42% | 0.417 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -82.6 | 162.1 | 164.9 | -82.1 | -44.5 | 0 | 0 | 0 | 110.5 | Q601 L602 V604 D622 | Q601-H620 WeakPolarHBondContact CA-O 3.42Å; L602-H620 PolarHBondContact O-N 2.96Å; V604-H620 WeakPolarHBondContact CG1-NE2 3.43Å; V604-H620 HydrophobicContact CG2-CB 4.13Å; V604-H620 WeakPolarHBondContact CG2-CD2 3.3Å; V604-H620 VanDerWaalsContact CG2-CE1 3.45Å; V604-H620 WeakPolarHBondContact CG2-CE1 3.2Å; V604-H620 WeakPolarHBondContact CG2-ND1 3.29Å; V604-H620 WeakPolarHBondContact CG2-NE2 3.25Å; H620-D622 PolarHBondContact O-N 3.23Å; H620-D622 VanDerWaalsContact O-N 3.15Å |
| 621 | G | 76.7 | Confident | 90.2 | Very high | 55 Ų | 55 | 31.9 Ų | 31.9 | 57% | 0.567 | 17% | 0.172 | S | C | * | . | S | Bend | trans | 84.3 | -81.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 622 | D | 74.8 | Confident | 90.2 | Very high | 48 Ų | 48 | 32.7 Ų | 32.7 | 26% | 0.257 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -89.3 | 111.4 | 169.8 | -59.8 | -36.1 | 0 | 0 | 0 | 107.3 | Q601 H620 L624 | Q601-D622 HydrophobicContact CG-CB 4.3Å; Q601-D622 PolarHBondContact NE2-OD2 2.89Å; H620-D622 PolarHBondContact O-N 3.23Å; H620-D622 VanDerWaalsContact O-N 3.15Å; D622-L624 HydrophobicContact CB-CD1 3.59Å; D622-L624 HydrophobicContact CB-CG 3.75Å; D622-L624 WeakPolarHBondContact O-CG 3.22Å; D622-L624 PolarHBondContact O-N 2.8Å |
| 623 | L | 86.3 | Confident | 90.1 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 19% | 0.188 | 18% | 0.183 | C | C | . | . | trans | -64.2 | 65.8 | -174.8 | -52.8 | -179 | 0 | 0 | 0 | 112.4 | R640 V641 E642 P644 | L623-R640 CarbonylContact O-C 3.47Å; L623-R640 VanDerWaalsContact O-CA 3.31Å; L623-R640 WeakPolarHBondContact O-CA 3.21Å; L623-R640 WeakPolarHBondContact O-CG 3.39Å; L623-V641 VanDerWaalsContact CB-O 3.28Å; L623-V641 WeakPolarHBondContact CB-O 3.46Å; L623-V641 WeakPolarHBondContact CD1-O 3.36Å; L623-V641 PolarHBondContact O-N 2.82Å; L623-E642 WeakPolarHBondContact CD1-O 3.32Å; L623-P644 HydrophobicContact CD2-CB 3.7Å | ||
| 624 | L | 90.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.7 | -168.2 | -61.9 | 173.5 | 0 | 0 | 0 | 110.6 | H619 D622 F639 R640 V689 P690 | H619-L624 PolarHBondContact N-O 2.79Å; D622-L624 HydrophobicContact CB-CD1 3.59Å; D622-L624 HydrophobicContact CB-CG 3.75Å; D622-L624 WeakPolarHBondContact O-CG 3.22Å; D622-L624 PolarHBondContact O-N 2.8Å; L624-F639 WeakPolarHBondContact CA-O 3.44Å; L624-R640 HydrophobicContact CD2-CB 3.85Å; L624-R640 HydrophobicContact CD2-CG 4.19Å; L624-V689 HydrophobicContact CD1-CG1 4.27Å; L624-V689 HydrophobicContact CD1-CG2 4.39Å; L624-P690 HydrophobicContact CD2-CG 4.13Å |
| 625 | V | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.7 | 162.7 | -179.7 | 0 | 0 | 0 | 0 | 107 | V616 S617 C638 F639 V641 I645 I648 | V616-V625 HydrophobicContact CG1-CG1 3.72Å; S617-V625 WeakPolarHBondContact O-CA 3.34Å; V625-C638 WeakPolarHBondContact O-CA 3.34Å; V625-F639 HydrophobicContact CB-CD1 4.07Å; V625-F639 HydrophobicContact CB-CE1 3.57Å; V625-F639 HydrophobicContact CB-CE2 4.12Å; V625-F639 HydrophobicContact CB-CZ 3.6Å; V625-F639 HydrophobicContact CG1-CD1 4.46Å; V625-F639 HydrophobicContact CG1-CE1 3.63Å; V625-F639 HydrophobicContact CG1-CZ 3.83Å; V625-F639 HydrophobicContact CG2-CE1 4.36Å; V625-F639 HydrophobicContact CG2-CE2 4.12Å; V625-F639 HydrophobicContact CG2-CZ 3.87Å; V625-F639 PolarHBondContact N-O 2.91Å; V625-F639 PolarHBondContact O-N 2.77Å; V625-V641 HydrophobicContact CG2-CG2 4.06Å; V625-I645 HydrophobicContact CG2-CD1 3.23Å; V625-I648 HydrophobicContact CG1-CD1 4.38Å; V625-I648 HydrophobicContact CG2-CD1 4.37Å |
| 626 | K | 93 | Very high | 89.8 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.6 | 178.4 | -69.3 | -172.5 | -175.2 | -177.7 | 0 | 109.9 | N597 V616 S617 W628 L635 C638 | N597-K626 WeakPolarHBondContact OD1-CD 3.36Å; N597-K626 PolarHBondContact OD1-NZ 3.26Å; V616-K626 CarbonylContact C-O 3.56Å; V616-K626 WeakPolarHBondContact CA-O 3.32Å; S617-K626 PolarHBondContact N-O 3.28Å; S617-K626 PolarHBondContact O-N 2.87Å; K626-W628 HydrophobicContact CB-CZ2 4.22Å; K626-W628 HydrophobicContact CD-CH2 4.29Å; K626-W628 HydrophobicContact CD-CZ2 3.53Å; K626-L635 HydrophobicContact CB-CD1 3.74Å; K626-L635 HydrophobicContact CD-CD1 4.13Å; K626-L635 HydrophobicContact CG-CD1 4.04Å; K626-C638 HydrophobicContact CG-CB 4.26Å |
| 627 | T | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.1 | 176.1 | -57.5 | 0 | 0 | 0 | 0 | 109.3 | I4 Y5 W614 L615 V616 I636 D637 | I4-T627 HydrophobicContact CD1-CG2 4.04Å; Y5-T627 WeakPolarHBondContact CE2-OG1 3.49Å; W614-T627 HydrophobicContact CB-CG2 4.19Å; W614-T627 HydrophobicContact CD2-CG2 4.28Å; W614-T627 HydrophobicContact CE3-CG2 4.28Å; W614-T627 HydrophobicContact CG-CG2 4.27Å; L615-T627 WeakPolarHBondContact O-CA 3.45Å; V616-T627 HydrophobicContact CG2-CG2 4.17Å; T627-I636 PolarHBondContact O-N 2.83Å; T627-D637 PolarHBondContact N-O 3.2Å; T627-D637 PolarHBondContact O-N 2.95Å |
| 628 | W | 93.8 | Very high | 89.4 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.5 | -175.4 | -52.6 | 88.8 | 0 | 0 | 0 | 110.5 | F595 N597 W614 L615 S617 K626 K634 L635 I686 | F595-W628 HydrophobicContact CB-CD2 4.17Å; F595-W628 HydrophobicContact CB-CE3 4.25Å; F595-W628 HydrophobicContact CB-CZ2 4.45Å; F595-W628 HydrophobicContact CB-CZ3 4.41Å; F595-W628 HydrophobicContact CD1-CB 3.91Å; F595-W628 AromaticContact CD1-CD2 3.77Å; F595-W628 HydrophobicContact CD1-CD2 3.77Å; F595-W628 AromaticContact CD1-CE3 3.59Å; F595-W628 HydrophobicContact CD1-CE3 3.59Å; F595-W628 AromaticContact CD1-CG 3.93Å; F595-W628 HydrophobicContact CD1-CG 3.93Å; F595-W628 HydrophobicContact CD1-CZ3 4.34Å; F595-W628 HydrophobicContact CE1-CB 3.67Å; F595-W628 HydrophobicContact CE1-CD2 4.44Å; F595-W628 HydrophobicContact CE1-CE3 4.34Å; F595-W628 HydrophobicContact CE1-CG 4.21Å; F595-W628 HydrophobicContact CG-CD2 4.11Å; F595-W628 HydrophobicContact CG-CE3 4.24Å; F595-W628 HydrophobicContact CG-CG 4.24Å; F595-W628 HydrophobicContact CZ-CB 4.1Å; N597-W628 VanDerWaalsContact OD1-CZ2 3.27Å; N597-W628 WeakPolarHBondContact OD1-CZ2 3.13Å; W614-W628 CarbonylContact C-O 3.49Å; W614-W628 VanDerWaalsContact CA-O 3.25Å; W614-W628 WeakPolarHBondContact CA-O 3.25Å; L615-W628 HydrophobicContact CB-CB 4.27Å; L615-W628 PolarHBondContact N-O 3.48Å; L615-W628 PolarHBondContact O-N 2.94Å; S617-W628 PolarHBondContact OG-NE1 3.15Å; S617-W628 VanDerWaalsContact OG-NE1 3.1Å; K626-W628 HydrophobicContact CB-CZ2 4.22Å; K626-W628 HydrophobicContact CD-CH2 4.29Å; K626-W628 HydrophobicContact CD-CZ2 3.53Å; W628-K634 CarbonylContact C-O 3.59Å; W628-K634 WeakPolarHBondContact CA-O 3.34Å; W628-L635 HydrophobicContact CD2-CD1 3.96Å; W628-L635 HydrophobicContact CE3-CB 3.96Å; W628-L635 HydrophobicContact CE3-CD1 4.02Å; W628-L635 HydrophobicContact CH2-CB 4.47Å; W628-L635 HydrophobicContact CH2-CD1 4.15Å; W628-L635 HydrophobicContact CZ2-CD1 4.07Å; W628-L635 HydrophobicContact CZ3-CB 3.84Å; W628-L635 HydrophobicContact CZ3-CD1 4.13Å; W628-I686 HydrophobicContact CH2-CG2 4.44Å; W628-I686 HydrophobicContact CZ3-CG2 4.47Å |
| 629 | D | 93.1 | Very high | 89.2 | Confident | 29 Ų | 29 | 31.7 Ų | 31.7 | 16% | 0.155 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 121.6 | 162.3 | -156.2 | -32.2 | 0 | 0 | 0 | 109.9 | V631 D632 N633 K634 I636 | D629-V631 PolarHBondContact OD1-N 2.81Å; D629-D632 HydrophobicContact CB-CB 4.12Å; D629-N633 WeakPolarHBondContact O-CA 3.45Å; D629-N633 PolarHBondContact O-N 2.78Å; D629-K634 PolarHBondContact N-O 2.78Å; D629-K634 PolarHBondContact O-N 3.02Å; D629-I636 HydrophobicContact CB-CD1 3.59Å; D629-I636 HydrophobicContact CB-CG1 3.9Å |
| 630 | I | 93 | Very high | 89 | Confident | 25 Ų | 25 | 35.6 Ų | 35.6 | 13% | 0.128 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -35.5 | 176.3 | -63.7 | 175.4 | 0 | 0 | 0 | 110.7 | L583 R593 F595 I608 G612 R613 L615 | L583-I630 HydrophobicContact CD1-CB 4.31Å; L583-I630 HydrophobicContact CD1-CD1 4.2Å; L583-I630 HydrophobicContact CD1-CG1 3.97Å; L583-I630 HydrophobicContact CD1-CG2 3.57Å; R593-I630 PolarHBondContact NE-O 3.11Å; R593-I630 VanDerWaalsContact NE-O 3.09Å; F595-I630 HydrophobicContact CZ-CG1 4.3Å; I608-I630 HydrophobicContact CG2-CD1 3.96Å; G612-I630 WeakPolarHBondContact O-CD1 3.47Å; R613-I630 WeakPolarHBondContact O-CB 3.47Å; R613-I630 WeakPolarHBondContact O-CG1 3.41Å; R613-I630 PolarHBondContact O-N 2.88Å; L615-I630 HydrophobicContact CB-CD1 4.14Å; L615-I630 HydrophobicContact CB-CG1 4.09Å |
| 631 | V | 91 | Very high | 89.2 | Confident | 88 Ų | 88 | 31.4 Ų | 31.4 | 53% | 0.533 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -54.5 | -176.4 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | R593 D629 | R593-V631 PolarHBondContact NH2-O 2.93Å; D629-V631 PolarHBondContact OD1-N 2.81Å |
| 632 | D | 87.4 | Confident | 89.5 | Confident | 97 Ų | 97 | 32.9 Ų | 32.9 | 52% | 0.519 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -12.3 | -175.9 | -78.6 | -0.2 | 0 | 0 | 0 | 114.2 | D629 K634 | D629-D632 HydrophobicContact CB-CB 4.12Å; D632-K634 VanDerWaalsContact C-N 3.32Å; D632-K634 HydrophobicContact CB-CD 4.39Å; D632-K634 HydrophobicContact CB-CG 4.4Å; D632-K634 PolarHBondContact O-N 3.2Å |
| 633 | N | 90 | Very high | 90.1 | Very high | 56 Ų | 56 | 33.5 Ų | 33.5 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 38.9 | -175.3 | -160.9 | 43.2 | 0 | 0 | 0 | 113.6 | F595 D629 | F595-N633 WeakPolarHBondContact CD1-OD1 3.27Å; F595-N633 WeakPolarHBondContact CE1-OD1 3.45Å; D629-N633 WeakPolarHBondContact O-CA 3.45Å; D629-N633 PolarHBondContact O-N 2.78Å |
| 634 | K | 90.1 | Very high | 90.3 | Very high | 99 Ų | 99 | 34 Ų | 34 | 43% | 0.43 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 152.9 | -176.3 | -69.2 | 178.3 | -171.9 | 170.6 | 0 | 111.4 | W628 D629 D632 P683 | W628-K634 CarbonylContact C-O 3.59Å; W628-K634 WeakPolarHBondContact CA-O 3.34Å; D629-K634 PolarHBondContact N-O 2.78Å; D629-K634 PolarHBondContact O-N 3.02Å; D632-K634 VanDerWaalsContact C-N 3.32Å; D632-K634 HydrophobicContact CB-CD 4.39Å; D632-K634 HydrophobicContact CB-CG 4.4Å; D632-K634 PolarHBondContact O-N 3.2Å; K634-P683 HydrophobicContact CB-CB 3.91Å; K634-P683 HydrophobicContact CD-CB 3.55Å; K634-P683 HydrophobicContact CD-CG 3.98Å; K634-P683 HydrophobicContact CG-CB 4.28Å |
| 635 | L | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 125.9 | 170.6 | -175.4 | 67.4 | 0 | 0 | 0 | 108.4 | K626 W628 D637 C638 P683 L684 F688 | K626-L635 HydrophobicContact CB-CD1 3.74Å; K626-L635 HydrophobicContact CD-CD1 4.13Å; K626-L635 HydrophobicContact CG-CD1 4.04Å; W628-L635 HydrophobicContact CD2-CD1 3.96Å; W628-L635 HydrophobicContact CE3-CB 3.96Å; W628-L635 HydrophobicContact CE3-CD1 4.02Å; W628-L635 HydrophobicContact CH2-CB 4.47Å; W628-L635 HydrophobicContact CH2-CD1 4.15Å; W628-L635 HydrophobicContact CZ2-CD1 4.07Å; W628-L635 HydrophobicContact CZ3-CB 3.84Å; W628-L635 HydrophobicContact CZ3-CD1 4.13Å; L635-D637 WeakPolarHBondContact CD1-O 3.31Å; L635-C638 HydrophobicContact CD2-CB 4.12Å; L635-P683 CarbonylContact O-C 3.57Å; L635-P683 WeakPolarHBondContact O-CA 3.37Å; L635-L684 HydrophobicContact CB-CB 4.33Å; L635-L684 HydrophobicContact CD2-CB 4.09Å; L635-L684 HydrophobicContact CG-CB 4.18Å; L635-L684 PolarHBondContact O-N 3Å; L635-F688 HydrophobicContact CD2-CB 4.12Å |
| 636 | I | 90.9 | Very high | 90.5 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 8% | 0.082 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -45.2 | 179.7 | -62.8 | -179.6 | 0 | 0 | 0 | 110.4 | I4 T627 D629 L681 L684 | I4-I636 HydrophobicContact CD1-CG2 3.9Å; T627-I636 PolarHBondContact O-N 2.83Å; D629-I636 HydrophobicContact CB-CD1 3.59Å; D629-I636 HydrophobicContact CB-CG1 3.9Å; I636-L681 HydrophobicContact CG2-CB 3.54Å; I636-L681 HydrophobicContact CG2-CD1 3.48Å; I636-L681 VanDerWaalsContact CG2-CD1 3.48Å; I636-L681 HydrophobicContact CG2-CD2 4.31Å; I636-L681 HydrophobicContact CG2-CG 3.94Å; I636-L684 WeakPolarHBondContact O-CD1 3.3Å |
| 637 | D | 90.5 | Very high | 90.6 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.7 | -177 | -162 | 0.7 | 0 | 0 | 0 | 110.2 | S2 N3 I4 T627 L635 | S2-D637 WeakPolarHBondContact CB-OD2 3.46Å; S2-D637 PolarHBondContact OG-OD2 2.95Å; N3-D637 PolarHBondContact N-OD2 2.88Å; I4-D637 HydrophobicContact CD1-CB 3.65Å; I4-D637 HydrophobicContact CG1-CB 4.05Å; I4-D637 PolarHBondContact N-OD2 3.19Å; I4-D637 VanDerWaalsContact N-OD2 3.09Å; T627-D637 PolarHBondContact N-O 3.2Å; T627-D637 PolarHBondContact O-N 2.95Å; L635-D637 WeakPolarHBondContact CD1-O 3.31Å |
| 638 | C | 90.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 120.5 | 174.8 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | V625 K626 L635 L684 F688 P690 | V625-C638 WeakPolarHBondContact O-CA 3.34Å; K626-C638 HydrophobicContact CG-CB 4.26Å; L635-C638 HydrophobicContact CD2-CB 4.12Å; C638-L684 HydrophobicContact CB-CD1 4.37Å; C638-F688 HydrophobicContact CB-CD1 3.91Å; C638-F688 HydrophobicContact CB-CE1 4.26Å; C638-P690 WeakPolarHBondContact O-CG 3.18Å |
| 639 | F | 89.3 | Confident | 90.6 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.7 | 177.7 | 68.5 | -84.8 | 0 | 0 | 0 | 111.6 | Y5 L624 V625 V641 W670 V697 | Y5-F639 AromaticContact CD2-CE1 3.78Å; Y5-F639 HydrophobicContact CD2-CE1 3.78Å; Y5-F639 HydrophobicContact CD2-CZ 4.46Å; Y5-F639 HydrophobicContact CG-CE1 4.44Å; L624-F639 WeakPolarHBondContact CA-O 3.44Å; V625-F639 HydrophobicContact CB-CD1 4.07Å; V625-F639 HydrophobicContact CB-CE1 3.57Å; V625-F639 HydrophobicContact CB-CE2 4.12Å; V625-F639 HydrophobicContact CB-CZ 3.6Å; V625-F639 HydrophobicContact CG1-CD1 4.46Å; V625-F639 HydrophobicContact CG1-CE1 3.63Å; V625-F639 HydrophobicContact CG1-CZ 3.83Å; V625-F639 HydrophobicContact CG2-CE1 4.36Å; V625-F639 HydrophobicContact CG2-CE2 4.12Å; V625-F639 HydrophobicContact CG2-CZ 3.87Å; V625-F639 PolarHBondContact N-O 2.91Å; V625-F639 PolarHBondContact O-N 2.77Å; F639-V641 HydrophobicContact CD2-CG2 3.97Å; F639-V641 HydrophobicContact CE2-CG2 3.67Å; F639-W670 HydrophobicContact CE2-CE3 4.38Å; F639-W670 AromaticContact CE2-CH2 3.84Å; F639-W670 HydrophobicContact CE2-CH2 3.84Å; F639-W670 HydrophobicContact CE2-CZ2 4.21Å; F639-W670 AromaticContact CE2-CZ3 3.95Å; F639-W670 HydrophobicContact CE2-CZ3 3.95Å; F639-V697 HydrophobicContact CB-CG2 3.94Å; F639-V697 HydrophobicContact CD2-CB 4.12Å; F639-V697 HydrophobicContact CD2-CG2 3.9Å; F639-V697 HydrophobicContact CG-CG2 4.32Å |
| 640 | R | 87.8 | Confident | 90.6 | Very high | 88 Ų | 88 | 35 Ų | 35 | 33% | 0.332 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 139.6 | 178.6 | -169.5 | 175.8 | -177.7 | 149.3 | 2.6 | 110.6 | L623 L624 P696 V697 | L623-R640 CarbonylContact O-C 3.47Å; L623-R640 VanDerWaalsContact O-CA 3.31Å; L623-R640 WeakPolarHBondContact O-CA 3.21Å; L623-R640 WeakPolarHBondContact O-CG 3.39Å; L624-R640 HydrophobicContact CD2-CB 3.85Å; L624-R640 HydrophobicContact CD2-CG 4.19Å; R640-P696 HydrophobicContact CG-CB 4.44Å; R640-V697 PolarHBondContact O-N 2.93Å |
| 641 | V | 86.4 | Confident | 90.5 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -111.2 | 153.9 | 175.9 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | L623 V625 F639 I645 H661 W670 L699 | L623-V641 VanDerWaalsContact CB-O 3.28Å; L623-V641 WeakPolarHBondContact CB-O 3.46Å; L623-V641 WeakPolarHBondContact CD1-O 3.36Å; L623-V641 PolarHBondContact O-N 2.82Å; V625-V641 HydrophobicContact CG2-CG2 4.06Å; F639-V641 HydrophobicContact CD2-CG2 3.97Å; F639-V641 HydrophobicContact CE2-CG2 3.67Å; V641-I645 HydrophobicContact CG2-CD1 4.22Å; V641-H661 VanDerWaalsContact CG1-CE1 3.42Å; V641-H661 WeakPolarHBondContact CG1-CE1 3.36Å; V641-W670 HydrophobicContact CG2-CZ2 4.48Å; V641-L699 HydrophobicContact CG1-CD2 3.47Å; V641-L699 VanDerWaalsContact CG1-CD2 3.47Å; V641-L699 HydrophobicContact CG1-CG 4.39Å |
| 642 | E | 82.9 | Confident | 90.3 | Very high | 87 Ų | 87 | 34 Ų | 34 | 41% | 0.407 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -68.3 | -39.4 | -178.3 | -74.2 | 176.2 | -174.5 | 0 | 0 | 113.6 | L623 P696 | L623-E642 WeakPolarHBondContact CD1-O 3.32Å; E642-P696 HydrophobicContact CB-CB 4.48Å; E642-P696 HydrophobicContact CB-CG 4.4Å; E642-P696 HydrophobicContact CG-CB 3.67Å; E642-P696 HydrophobicContact CG-CG 3.35Å |
| 643 | L | 86.7 | Confident | 90.2 | Very high | 61 Ų | 61 | 31.3 Ų | 31.3 | 32% | 0.319 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -120.7 | 145 | -173.6 | -64.1 | 179 | 0 | 0 | 0 | 111.1 | I645 H661 C664 L699 | L643-I645 PolarHBondContact O-N 3.05Å; L643-H661 HydrophobicContact CB-CB 3.92Å; L643-H661 PolarHBondContact O-ND1 3.3Å; L643-C664 WeakPolarHBondContact CD1-SG 2.99Å; L643-L699 HydrophobicContact CD1-CD1 3.83Å; L643-L699 HydrophobicContact CG-CD1 4.25Å |
| 644 | P | 91 | Very high | 90.1 | Very high | 47 Ų | 47 | 29.7 Ų | 29.7 | 31% | 0.305 | 15% | 0.147 | S | C | . | . | trans | -64.2 | 131.6 | -177.8 | 24.6 | -31.9 | 0 | 0 | 0 | 111.9 | L623 H661 A662 | L623-P644 HydrophobicContact CD2-CB 3.7Å; P644-H661 CarbonylContact O-C 3.52Å; P644-H661 VanDerWaalsContact O-CA 3.28Å; P644-H661 WeakPolarHBondContact O-CA 3.29Å; P644-A662 HydrophobicContact CG-CB 3.77Å; P644-A662 PolarHBondContact O-N 2.86Å | ||
| 645 | I | 93.2 | Very high | 90.1 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 139.2 | 179.9 | -64.6 | 167.1 | 0 | 0 | 0 | 109.2 | A618 V625 V641 L643 S647 I648 T659 T660 H661 | A618-I645 HydrophobicContact CB-CB 4.11Å; A618-I645 HydrophobicContact CB-CD1 4.08Å; A618-I645 HydrophobicContact CB-CG2 3.94Å; V625-I645 HydrophobicContact CG2-CD1 3.23Å; V641-I645 HydrophobicContact CG2-CD1 4.22Å; L643-I645 PolarHBondContact O-N 3.05Å; I645-S647 WeakPolarHBondContact CG2-O 3.44Å; I645-I648 HydrophobicContact CD1-CD1 4.33Å; I645-I648 HydrophobicContact CG2-CD1 4.28Å; I645-I648 HydrophobicContact CG2-CG1 3.69Å; I645-T659 HydrophobicContact CD1-CG2 4.32Å; I645-T660 CarbonylContact C-O 3.55Å; I645-T660 VanDerWaalsContact CA-O 3.28Å; I645-T660 WeakPolarHBondContact CA-O 3.35Å; I645-H661 VanDerWaalsContact CG1-CE1 3.42Å; I645-H661 WeakPolarHBondContact CG1-CE1 3.41Å |
| 646 | T | 92.9 | Very high | 90.1 | Very high | 25 Ų | 25 | 28.5 Ų | 28.5 | 15% | 0.153 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -28.8 | 176 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | P347 R349 T660 A662 | P347-T646 PolarHBondContact O-OG1 3.44Å; R349-T646 PolarHBondContact NH1-O 3.31Å; T646-T660 PolarHBondContact N-O 3.13Å; T646-T660 WeakPolarHBondContact OG1-CB 3.44Å; T646-T660 PolarHBondContact OG1-O 3.39Å; T646-T660 PolarHBondContact OG1-OG1 2.75Å; T646-A662 HydrophobicContact CG2-CB 4.27Å |
| 647 | S | 94.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 149.7 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | I350 D605 I645 T659 T660 | I350-S647 WeakPolarHBondContact CG1-OG 3.2Å; I350-S647 PolarHBondContact N-OG 2.89Å; D605-S647 WeakPolarHBondContact OD2-CA 3.21Å; D605-S647 WeakPolarHBondContact OD2-CB 3.21Å; D605-S647 PolarHBondContact OD2-OG 3.49Å; I645-S647 WeakPolarHBondContact CG2-O 3.44Å; S647-T659 WeakPolarHBondContact O-CA 3.4Å; S647-T660 WeakPolarHBondContact CB-OG1 3.47Å; S647-T660 PolarHBondContact N-OG1 2.82Å; S647-T660 PolarHBondContact O-N 2.83Å |
| 648 | I | 95.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.7 | 175.9 | -67 | -162.6 | 0 | 0 | 0 | 109.1 | D605 V616 A618 V625 I645 L657 C658 T659 | D605-I648 HydrophobicContact CB-CB 4.34Å; D605-I648 PolarHBondContact OD2-N 3.31Å; V616-I648 HydrophobicContact CG1-CD1 4.39Å; V616-I648 HydrophobicContact CG1-CG2 4.42Å; A618-I648 HydrophobicContact CB-CD1 3.31Å; A618-I648 HydrophobicContact CB-CG1 3.89Å; V625-I648 HydrophobicContact CG1-CD1 4.38Å; V625-I648 HydrophobicContact CG2-CD1 4.37Å; I645-I648 HydrophobicContact CD1-CD1 4.33Å; I645-I648 HydrophobicContact CG2-CD1 4.28Å; I645-I648 HydrophobicContact CG2-CG1 3.69Å; I648-L657 HydrophobicContact CG2-CD1 3.46Å; I648-L657 VanDerWaalsContact CG2-CD1 3.46Å; I648-C658 WeakPolarHBondContact CA-O 3.45Å; I648-T659 HydrophobicContact CD1-CG2 4.42Å; I648-T659 HydrophobicContact CG1-CG2 4.22Å |
| 649 | A | 94.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 138.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | I350 F352 D607 C658 | I350-A649 HydrophobicContact CD1-CB 3.94Å; I350-A649 HydrophobicContact CG1-CB 4.12Å; F352-A649 HydrophobicContact CD2-CB 3.85Å; F352-A649 HydrophobicContact CE2-CB 4.23Å; F352-A649 WeakPolarHBondContact CE2-O 3.43Å; D607-A649 WeakPolarHBondContact OD2-CA 3.46Å; A649-C658 PolarHBondContact N-O 2.8Å; A649-C658 PolarHBondContact O-N 2.92Å |
| 650 | L | 93.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 27 Ų | 27 | 6% | 0.063 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.2 | 171.1 | -73.7 | 168 | 0 | 0 | 0 | 110.3 | F352 D607 V616 L657 | F352-L650 WeakPolarHBondContact CD2-O 3.33Å; F352-L650 VanDerWaalsContact CE2-C 3.45Å; D607-L650 HydrophobicContact CB-CB 4.46Å; D607-L650 HydrophobicContact CB-CD1 4.2Å; D607-L650 HydrophobicContact CB-CG 4.26Å; D607-L650 PolarHBondContact OD2-N 2.83Å; V616-L650 HydrophobicContact CB-CD1 4.32Å; V616-L650 HydrophobicContact CG2-CD1 3.86Å; V616-L650 HydrophobicContact CG2-CD2 4.38Å; V616-L650 HydrophobicContact CG2-CG 4.5Å; L650-L657 HydrophobicContact CD2-CB 3.95Å; L650-L657 HydrophobicContact CD2-CD1 3.67Å; L650-L657 HydrophobicContact CD2-CG 4.44Å; L650-L657 HydrophobicContact CG-CD1 4.14Å |
| 651 | S | 91.4 | Very high | 91 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | trans | -67.5 | 147.9 | 172.7 | 69.9 | 0 | 0 | 0 | 0 | 110.2 | A653 N654 E655 F656 | S651-A653 PolarHBondContact O-N 3.46Å; S651-N654 WeakPolarHBondContact O-CA 3.44Å; S651-N654 PolarHBondContact O-N 3.4Å; S651-N654 PolarHBondContact O-OD1 3.12Å; S651-N654 PolarHBondContact OG-N 2.84Å; S651-E655 PolarHBondContact OG-N 3.1Å; S651-F656 WeakPolarHBondContact CB-O 3.3Å; S651-F656 PolarHBondContact N-O 2.98Å; S651-F656 PolarHBondContact OG-N 3.27Å; S651-F656 PolarHBondContact OG-O 3.21Å | ||
| 652 | R | 86.3 | Confident | 91.2 | Very high | 92 Ų | 92 | 23.9 Ų | 23.9 | 35% | 0.347 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -21.3 | 177.9 | -68.7 | -174.4 | 162.2 | 69.5 | 4.9 | 113.4 | F352 P354 G359 F610 | F352-R652 PolarHBondContact O-NH1 3.28Å; P354-R652 VanDerWaalsContact CA-CZ 3.47Å; G359-R652 WeakPolarHBondContact O-CB 3.44Å; G359-R652 PolarHBondContact O-N 3.29Å; F610-R652 WeakPolarHBondContact CB-O 3.31Å; F610-R652 VanDerWaalsContact CD1-O 3.24Å; F610-R652 WeakPolarHBondContact CD1-O 3.46Å; F610-R652 HydrophobicContact CD2-CB 4.17Å; F610-R652 HydrophobicContact CD2-CG 4.24Å; F610-R652 HydrophobicContact CG-CB 4.37Å; F610-R652 WeakPolarHBondContact CG-O 3.11Å |
| 653 | A | 85.7 | Confident | 91.5 | Very high | 39 Ų | 39 | 26.7 Ų | 26.7 | 32% | 0.322 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -1.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A358 S651 E655 | A358-A653 WeakPolarHBondContact O-CB 3.49Å; S651-A653 PolarHBondContact O-N 3.46Å; A653-E655 HydrophobicContact CB-CG 3.83Å; A653-E655 PolarHBondContact O-N 2.86Å; A653-E655 VanDerWaalsContact O-N 3.11Å |
| 654 | N | 87.4 | Confident | 91.6 | Very high | 23 Ų | 23 | 24.6 Ų | 24.6 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 57.7 | 14.3 | -173.1 | -69.5 | -17 | 0 | 0 | 0 | 114.9 | F610 D611 S651 N672 T675 | F610-N654 PolarHBondContact N-OD1 3.44Å; D611-N654 PolarHBondContact OD1-ND2 2.53Å; S651-N654 WeakPolarHBondContact O-CA 3.44Å; S651-N654 PolarHBondContact O-N 3.4Å; S651-N654 PolarHBondContact O-OD1 3.12Å; S651-N654 PolarHBondContact OG-N 2.84Å; N654-N672 WeakPolarHBondContact O-CB 3.38Å; N654-N672 PolarHBondContact O-ND2 3.16Å; N654-T675 WeakPolarHBondContact O-CG2 3.41Å |
| 655 | E | 89.1 | Confident | 91.6 | Very high | 62 Ų | 62 | 24.5 Ų | 24.5 | 29% | 0.29 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -74.3 | -43.6 | 178.3 | -64.4 | 172.6 | 176.2 | 0 | 0 | 112.3 | S651 A653 N672 | S651-E655 PolarHBondContact OG-N 3.1Å; A653-E655 HydrophobicContact CB-CG 3.83Å; A653-E655 PolarHBondContact O-N 2.86Å; A653-E655 VanDerWaalsContact O-N 3.11Å; E655-N672 WeakPolarHBondContact O-CB 3.31Å; E655-N672 PolarHBondContact O-N 2.62Å |
| 656 | F | 91.7 | Very high | 91.5 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 5% | 0.048 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.2 | -174.9 | -58 | -65.4 | 0 | 0 | 0 | 112.4 | Y8 F352 T377 F378 S651 L669 W670 | Y8-F656 HydrophobicContact CD1-CD1 4.09Å; Y8-F656 AromaticContact CD1-CE1 3.5Å; Y8-F656 HydrophobicContact CD1-CE1 3.5Å; Y8-F656 VanDerWaalsContact CD1-CE1 3.5Å; Y8-F656 HydrophobicContact CD1-CZ 4.3Å; Y8-F656 AromaticContact CE1-CE1 3.57Å; Y8-F656 HydrophobicContact CE1-CE1 3.57Å; Y8-F656 AromaticContact CE1-CZ 3.92Å; Y8-F656 HydrophobicContact CE1-CZ 3.92Å; Y8-F656 HydrophobicContact CG-CE1 4.21Å; F352-F656 HydrophobicContact CZ-CB 4.1Å; T377-F656 HydrophobicContact CG2-CD2 4.33Å; F378-F656 HydrophobicContact CE1-CE2 4.35Å; F378-F656 HydrophobicContact CZ-CE2 4.12Å; S651-F656 WeakPolarHBondContact CB-O 3.3Å; S651-F656 PolarHBondContact N-O 2.98Å; S651-F656 PolarHBondContact OG-N 3.27Å; S651-F656 PolarHBondContact OG-O 3.21Å; F656-L669 HydrophobicContact CB-CD2 4.43Å; F656-W670 CarbonylContact C-O 3.51Å; F656-W670 VanDerWaalsContact CA-O 3.3Å; F656-W670 WeakPolarHBondContact CA-O 3.45Å |
| 657 | L | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.7 | 157.1 | 169.4 | 74.6 | 0 | 0 | 0 | 107.6 | Y5 V616 I648 L650 T659 W670 | Y5-L657 HydrophobicContact CD1-CB 3.68Å; Y5-L657 HydrophobicContact CD1-CD2 3.72Å; Y5-L657 HydrophobicContact CD1-CG 4.34Å; Y5-L657 HydrophobicContact CD2-CD2 3.95Å; Y5-L657 HydrophobicContact CE1-CB 3.57Å; Y5-L657 HydrophobicContact CE1-CD2 3.83Å; Y5-L657 HydrophobicContact CE1-CG 4.25Å; Y5-L657 HydrophobicContact CE2-CD2 4.03Å; Y5-L657 HydrophobicContact CG-CD2 3.78Å; V616-L657 HydrophobicContact CG1-CD1 4.07Å; I648-L657 HydrophobicContact CG2-CD1 3.46Å; I648-L657 VanDerWaalsContact CG2-CD1 3.46Å; L650-L657 HydrophobicContact CD2-CB 3.95Å; L650-L657 HydrophobicContact CD2-CD1 3.67Å; L650-L657 HydrophobicContact CD2-CG 4.44Å; L650-L657 HydrophobicContact CG-CD1 4.14Å; L657-T659 HydrophobicContact CG-CG2 4.48Å; L657-W670 HydrophobicContact CB-CB 4.11Å; L657-W670 HydrophobicContact CD2-CB 4.4Å; L657-W670 HydrophobicContact CD2-CG 4.3Å; L657-W670 PolarHBondContact N-O 3.4Å; L657-W670 VanDerWaalsContact O-CD1 3.28Å; L657-W670 PolarHBondContact O-N 3.47Å |
| 658 | C | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.2 | 174.4 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | I350 F352 L363 I648 A649 Y668 L669 | I350-C658 HydrophobicContact CD1-CB 3.41Å; I350-C658 VanDerWaalsContact CD1-CB 3.41Å; F352-C658 HydrophobicContact CE2-CB 4.12Å; F352-C658 WeakPolarHBondContact CE2-SG 3.28Å; F352-C658 HydrophobicContact CZ-CB 4.46Å; F352-C658 WeakPolarHBondContact CZ-SG 3.42Å; L363-C658 HydrophobicContact CD1-CB 3.87Å; L363-C658 WeakPolarHBondContact CD1-SG 3.32Å; I648-C658 WeakPolarHBondContact CA-O 3.45Å; A649-C658 PolarHBondContact N-O 2.8Å; A649-C658 PolarHBondContact O-N 2.92Å; C658-Y668 CarbonylContact C-O 3.55Å; C658-Y668 WeakPolarHBondContact CA-O 3.5Å; C658-L669 WeakPolarHBondContact SG-CD2 3.45Å |
| 659 | T | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 146.6 | 170.6 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | I645 S647 I648 L657 H661 Y668 W670 | I645-T659 HydrophobicContact CD1-CG2 4.32Å; S647-T659 WeakPolarHBondContact O-CA 3.4Å; I648-T659 HydrophobicContact CD1-CG2 4.42Å; I648-T659 HydrophobicContact CG1-CG2 4.22Å; L657-T659 HydrophobicContact CG-CG2 4.48Å; T659-H661 PolarHBondContact OG1-NE2 3.25Å; T659-Y668 PolarHBondContact N-O 3.27Å; T659-Y668 PolarHBondContact O-N 3.18Å; T659-W670 VanDerWaalsContact CG2-NE1 3.27Å; T659-W670 PolarHBondContact OG1-NE1 3.42Å |
| 660 | T | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.4 | 165.9 | 52.3 | 0 | 0 | 0 | 0 | 109.2 | P347 I350 I645 T646 S647 I667 | P347-T660 HydrophobicContact CB-CG2 4.02Å; P347-T660 HydrophobicContact CG-CG2 3.67Å; I350-T660 HydrophobicContact CD1-CG2 4.28Å; I350-T660 HydrophobicContact CG1-CG2 4.4Å; I350-T660 HydrophobicContact CG2-CG2 3.51Å; I645-T660 CarbonylContact C-O 3.55Å; I645-T660 VanDerWaalsContact CA-O 3.28Å; I645-T660 WeakPolarHBondContact CA-O 3.35Å; T646-T660 PolarHBondContact N-O 3.13Å; T646-T660 WeakPolarHBondContact OG1-CB 3.44Å; T646-T660 PolarHBondContact OG1-O 3.39Å; T646-T660 PolarHBondContact OG1-OG1 2.75Å; S647-T660 WeakPolarHBondContact CB-OG1 3.47Å; S647-T660 PolarHBondContact N-OG1 2.82Å; S647-T660 PolarHBondContact O-N 2.83Å; T660-I667 HydrophobicContact CG2-CB 4.4Å; T660-I667 HydrophobicContact CG2-CG1 4.06Å; T660-I667 HydrophobicContact CG2-CG2 4.12Å |
| 661 | H | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 154.1 | -175.6 | -61.5 | -88.8 | 0 | 0 | 0 | 111.2 | V641 L643 P644 I645 T659 C664 Y668 L699 | V641-H661 VanDerWaalsContact CG1-CE1 3.42Å; V641-H661 WeakPolarHBondContact CG1-CE1 3.36Å; L643-H661 HydrophobicContact CB-CB 3.92Å; L643-H661 PolarHBondContact O-ND1 3.3Å; P644-H661 CarbonylContact O-C 3.52Å; P644-H661 VanDerWaalsContact O-CA 3.28Å; P644-H661 WeakPolarHBondContact O-CA 3.29Å; I645-H661 VanDerWaalsContact CG1-CE1 3.42Å; I645-H661 WeakPolarHBondContact CG1-CE1 3.41Å; T659-H661 PolarHBondContact OG1-NE2 3.25Å; H661-C664 HydrophobicContact CB-CB 4.24Å; H661-Y668 AromaticContact CD2-CD2 3.39Å; H661-Y668 WeakPolarHBondContact CD2-CD2 3.04Å; H661-Y668 AromaticContact CD2-CE2 3.71Å; H661-Y668 AromaticContact CD2-CG 3.97Å; H661-L699 WeakPolarHBondContact CE1-CD2 3.22Å; H661-L699 VanDerWaalsContact NE2-CD2 3.27Å; H661-L699 WeakPolarHBondContact NE2-CD2 3.36Å |
| 662 | A | 90.6 | Very high | 91 | Very high | 24 Ų | 24 | 24.3 Ų | 24.3 | 20% | 0.198 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 140.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | P644 T646 C664 | P644-A662 HydrophobicContact CG-CB 3.77Å; P644-A662 PolarHBondContact O-N 2.86Å; T646-A662 HydrophobicContact CG2-CB 4.27Å; A662-C664 PolarHBondContact O-N 2.97Å; A662-C664 VanDerWaalsContact O-N 3.1Å |
| 663 | N | 88.2 | Confident | 91.2 | Very high | 145 Ų | 145 | 24 Ų | 24 | 78% | 0.775 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 6.3 | 179.1 | -57.5 | -17.6 | 0 | 0 | 0 | 116.3 | ||
| 664 | C | 89.7 | Confident | 91.3 | Very high | 17 Ų | 17 | 24 Ų | 24 | 12% | 0.115 | 13% | 0.127 | C | C | . | . | trans | -101.5 | 138.9 | 171.4 | -63.7 | 0 | 0 | 0 | 0 | 111 | P346 P347 L643 H661 A662 Y668 | P346-C664 VanDerWaalsContact CA-O 3.25Å; P346-C664 WeakPolarHBondContact CA-O 3.24Å; P346-C664 WeakPolarHBondContact CB-O 3.17Å; P347-C664 WeakPolarHBondContact CD-O 3.18Å; L643-C664 WeakPolarHBondContact CD1-SG 2.99Å; H661-C664 HydrophobicContact CB-CB 4.24Å; A662-C664 PolarHBondContact O-N 2.97Å; A662-C664 VanDerWaalsContact O-N 3.1Å; C664-Y668 HydrophobicContact CB-CE2 3.84Å; C664-Y668 PolarHBondContact SG-OH 2.85Å | ||
| 665 | L | 91.5 | Very high | 91.2 | Very high | 46 Ų | 46 | 26.2 Ų | 26.2 | 24% | 0.241 | 14% | 0.142 | C | C | . | . | trans | -83.2 | -18 | 176.4 | -61 | -179.5 | 0 | 0 | 0 | 113.4 | L13 N320 P346 | L13-L665 HydrophobicContact CD2-CB 3.84Å; N320-L665 HydrophobicContact CB-CD1 3.93Å; P346-L665 HydrophobicContact CG-CD2 4.37Å | ||
| 666 | G | 89.7 | Confident | 91.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -85.4 | 160.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | L11 | L11-G666 WeakPolarHBondContact O-CA 3.38Š|
| 667 | I | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.5 | 168.5 | -54.4 | 169.5 | 0 | 0 | 0 | 107 | V10 L11 P347 I350 L363 S365 F375 T660 | V10-I667 CarbonylContact C-O 3.56Å; V10-I667 WeakPolarHBondContact CA-O 3.15Å; L11-I667 HydrophobicContact CB-CB 4.37Å; L11-I667 PolarHBondContact N-O 3.29Å; L11-I667 PolarHBondContact O-N 2.81Å; P347-I667 HydrophobicContact CG-CG1 4Å; I350-I667 HydrophobicContact CG2-CD1 4.26Å; I350-I667 HydrophobicContact CG2-CG2 4.29Å; L363-I667 HydrophobicContact CD1-CG2 4.46Å; L363-I667 HydrophobicContact CD2-CD1 3.67Å; L363-I667 HydrophobicContact CD2-CG2 4.32Å; S365-I667 VanDerWaalsContact CB-CD1 3.45Å; F375-I667 HydrophobicContact CD2-CD1 3.42Å; F375-I667 VanDerWaalsContact CD2-CD1 3.42Å; F375-I667 HydrophobicContact CE2-CD1 3.61Å; F375-I667 HydrophobicContact CG-CD1 4.4Å; T660-I667 HydrophobicContact CG2-CB 4.4Å; T660-I667 HydrophobicContact CG2-CG1 4.06Å; T660-I667 HydrophobicContact CG2-CG2 4.12Å |
| 668 | Y | 92.1 | Very high | 90.3 | Very high | 24 Ų | 24 | 43 Ų | 43 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.5 | -169.5 | -63.7 | -100.7 | 0 | 0 | 0 | 109.9 | V10 C658 T659 H661 C664 L699 P700 | V10-Y668 HydrophobicContact CG2-CD1 3.2Å; V10-Y668 HydrophobicContact CG2-CE1 3.3Å; V10-Y668 HydrophobicContact CG2-CG 3.91Å; C658-Y668 CarbonylContact C-O 3.55Å; C658-Y668 WeakPolarHBondContact CA-O 3.5Å; T659-Y668 PolarHBondContact N-O 3.27Å; T659-Y668 PolarHBondContact O-N 3.18Å; H661-Y668 AromaticContact CD2-CD2 3.39Å; H661-Y668 WeakPolarHBondContact CD2-CD2 3.04Å; H661-Y668 AromaticContact CD2-CE2 3.71Å; H661-Y668 AromaticContact CD2-CG 3.97Å; C664-Y668 HydrophobicContact CB-CE2 3.84Å; C664-Y668 PolarHBondContact SG-OH 2.85Å; Y668-L699 HydrophobicContact CD1-CB 3.76Å; Y668-L699 HydrophobicContact CD1-CD2 4.3Å; Y668-L699 HydrophobicContact CD1-CG 4.48Å; Y668-L699 HydrophobicContact CE1-CB 3.56Å; Y668-L699 HydrophobicContact CE1-CD1 3.99Å; Y668-L699 HydrophobicContact CE1-CD2 4.38Å; Y668-L699 HydrophobicContact CE1-CG 4.19Å; Y668-P700 HydrophobicContact CD1-CB 4.29Å; Y668-P700 HydrophobicContact CD1-CG 4.39Å |
| 669 | L | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.5 | 177.8 | -64 | 174.8 | 0 | 0 | 0 | 110.2 | Y8 R9 L11 T377 F656 C658 P700 | Y8-L669 WeakPolarHBondContact CB-O 3.49Å; Y8-L669 HydrophobicContact CD1-CB 4.08Å; Y8-L669 HydrophobicContact CD1-CD1 4.11Å; Y8-L669 HydrophobicContact CE1-CD1 4.43Å; Y8-L669 PolarHBondContact N-O 3.09Å; R9-L669 HydrophobicContact CB-CD1 4.2Å; R9-L669 PolarHBondContact N-O 3.46Å; R9-L669 VanDerWaalsContact O-CB 3.3Å; R9-L669 WeakPolarHBondContact O-CB 3.47Å; R9-L669 PolarHBondContact O-N 3.25Å; L11-L669 HydrophobicContact CD1-CD1 3.77Å; L11-L669 HydrophobicContact CD1-CD2 4.24Å; L11-L669 HydrophobicContact CD1-CG 4.1Å; L11-L669 HydrophobicContact CD2-CD1 3.93Å; L11-L669 HydrophobicContact CG-CD1 3.73Å; L11-L669 HydrophobicContact CG-CG 4.1Å; T377-L669 HydrophobicContact CG2-CD1 4.13Å; T377-L669 HydrophobicContact CG2-CD2 4.09Å; F656-L669 HydrophobicContact CB-CD2 4.43Å; C658-L669 WeakPolarHBondContact SG-CD2 3.45Å; L669-P700 WeakPolarHBondContact O-CB 3.36Å; L669-P700 WeakPolarHBondContact O-CG 3.01Å |
| 670 | W | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.1 | 171.9 | -46.8 | 77.3 | 0 | 0 | 0 | 108.3 | Y5 H6 P7 F639 V641 F656 L657 T659 V697 P700 | Y5-W670 HydrophobicContact CD1-CB 4.39Å; H6-W670 CarbonylContact O-C 3.58Å; H6-W670 VanDerWaalsContact O-CA 3.26Å; H6-W670 WeakPolarHBondContact O-CA 3.08Å; P7-W670 HydrophobicContact CB-CZ3 4.46Å; F639-W670 HydrophobicContact CE2-CE3 4.38Å; F639-W670 AromaticContact CE2-CH2 3.84Å; F639-W670 HydrophobicContact CE2-CH2 3.84Å; F639-W670 HydrophobicContact CE2-CZ2 4.21Å; F639-W670 AromaticContact CE2-CZ3 3.95Å; F639-W670 HydrophobicContact CE2-CZ3 3.95Å; V641-W670 HydrophobicContact CG2-CZ2 4.48Å; F656-W670 CarbonylContact C-O 3.51Å; F656-W670 VanDerWaalsContact CA-O 3.3Å; F656-W670 WeakPolarHBondContact CA-O 3.45Å; L657-W670 HydrophobicContact CB-CB 4.11Å; L657-W670 HydrophobicContact CD2-CB 4.4Å; L657-W670 HydrophobicContact CD2-CG 4.3Å; L657-W670 PolarHBondContact N-O 3.4Å; L657-W670 VanDerWaalsContact O-CD1 3.28Å; L657-W670 PolarHBondContact O-N 3.47Å; T659-W670 VanDerWaalsContact CG2-NE1 3.27Å; T659-W670 PolarHBondContact OG1-NE1 3.42Å; W670-V697 HydrophobicContact CH2-CG1 4.11Å; W670-V697 HydrophobicContact CZ3-CG1 3.68Å; W670-P700 HydrophobicContact CD2-CG 3.4Å; W670-P700 HydrophobicContact CE3-CG 3.69Å; W670-P700 HydrophobicContact CG-CG 3.94Å; W670-P700 HydrophobicContact CH2-CG 3.88Å; W670-P700 HydrophobicContact CZ2-CG 3.6Å; W670-P700 HydrophobicContact CZ3-CG 3.9Å |
| 671 | D | 91.6 | Very high | 88 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 11% | 0.112 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 135.1 | 176.2 | 175.2 | 34.5 | 0 | 0 | 0 | 110.3 | Y5 H6 Y8 Y676 | Y5-D671 CarbonylContact C-O 3.59Å; Y5-D671 WeakPolarHBondContact CA-O 3.14Å; H6-D671 PolarHBondContact N-O 3.27Å; H6-D671 PolarHBondContact O-N 3.1Å; Y8-D671 HydrophobicContact CG-CB 4.37Å; D671-Y676 WeakPolarHBondContact OD2-CE1 3.39Å; D671-Y676 VanDerWaalsContact OD2-CZ 3.31Å; D671-Y676 PolarHBondContact OD2-OH 2.84Å |
| 672 | N | 91.6 | Very high | 87.4 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 102 | 179.2 | -177.5 | 4.3 | 0 | 0 | 0 | 110.2 | I4 Y5 N654 E655 A674 T675 | I4-N672 WeakPolarHBondContact CG2-OD1 3.3Å; Y5-N672 HydrophobicContact CD1-CB 4.48Å; Y5-N672 HydrophobicContact CE1-CB 4.33Å; N654-N672 WeakPolarHBondContact O-CB 3.38Å; N654-N672 PolarHBondContact O-ND2 3.16Å; E655-N672 WeakPolarHBondContact O-CB 3.31Å; E655-N672 PolarHBondContact O-N 2.62Å; N672-A674 PolarHBondContact O-N 3.45Å; N672-A674 VanDerWaalsContact O-N 3.1Å; N672-A674 VanDerWaalsContact OD1-CB 3.25Å; N672-A674 WeakPolarHBondContact OD1-CB 3.3Å; N672-A674 PolarHBondContact OD1-N 2.86Å; N672-A674 VanDerWaalsContact OD1-N 3.13Å; N672-T675 HydrophobicContact CB-CG2 4.22Å; N672-T675 PolarHBondContact O-N 3.39Å; N672-T675 VanDerWaalsContact O-N 3.1Å; N672-T675 PolarHBondContact O-OG1 2.78Å |
| 673 | R | 90.2 | Very high | 87 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 32% | 0.317 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -58.1 | -25.9 | 179.5 | -74.3 | 173.7 | 169.4 | -167.1 | -3.3 | 113.6 | I4 H6 T675 Y676 K677 L679 | I4-R673 WeakPolarHBondContact O-CB 3.48Å; I4-R673 PolarHBondContact O-N 3.08Å; H6-R673 HydrophobicContact CB-CG 4.36Å; H6-R673 PolarHBondContact CE1-NH2 3.15Å; H6-R673 PolarHBondContact ND1-NH2 3.36Å; R673-T675 PolarHBondContact O-N 3.07Å; R673-T675 VanDerWaalsContact O-N 3.14Å; R673-Y676 HydrophobicContact CB-CE2 4.48Å; R673-Y676 HydrophobicContact CG-CE2 4.29Å; R673-Y676 VanDerWaalsContact CG-OH 3.28Å; R673-Y676 WeakPolarHBondContact CG-OH 3.45Å; R673-Y676 PolarHBondContact O-N 2.81Å; R673-K677 PolarHBondContact O-N 3.21Å; R673-L679 HydrophobicContact CB-CD1 3.95Å; R673-L679 HydrophobicContact CB-CD2 4.18Å; R673-L679 HydrophobicContact CB-CG 4.48Å |
| 674 | A | 87.1 | Confident | 86.9 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -65.5 | -15.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | W614 N672 L679 | W614-A674 HydrophobicContact CH2-CB 3.5Å; W614-A674 HydrophobicContact CZ2-CB 4.48Å; W614-A674 HydrophobicContact CZ3-CB 4.13Å; N672-A674 PolarHBondContact O-N 3.45Å; N672-A674 VanDerWaalsContact O-N 3.1Å; N672-A674 VanDerWaalsContact OD1-CB 3.25Å; N672-A674 WeakPolarHBondContact OD1-CB 3.3Å; N672-A674 PolarHBondContact OD1-N 2.86Å; N672-A674 VanDerWaalsContact OD1-N 3.13Å; A674-L679 HydrophobicContact CB-CD1 3.95Å |
| 675 | T | 86.1 | Confident | 86.5 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -77.4 | -28.3 | 178.2 | 60 | 0 | 0 | 0 | 0 | 113.6 | N654 N672 R673 | N654-T675 WeakPolarHBondContact O-CG2 3.41Å; N672-T675 HydrophobicContact CB-CG2 4.22Å; N672-T675 PolarHBondContact O-N 3.39Å; N672-T675 VanDerWaalsContact O-N 3.1Å; N672-T675 PolarHBondContact O-OG1 2.78Å; R673-T675 PolarHBondContact O-N 3.07Å; R673-T675 VanDerWaalsContact O-N 3.14Å |
| 676 | Y | 86.9 | Confident | 85.8 | Confident | 133 Ų | 133 | 63.6 Ų | 63.6 | 52% | 0.522 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -12.7 | -177.1 | 55.3 | -95.5 | 0 | 0 | 0 | 114.5 | D671 R673 | D671-Y676 WeakPolarHBondContact OD2-CE1 3.39Å; D671-Y676 VanDerWaalsContact OD2-CZ 3.31Å; D671-Y676 PolarHBondContact OD2-OH 2.84Å; R673-Y676 HydrophobicContact CB-CE2 4.48Å; R673-Y676 HydrophobicContact CG-CE2 4.29Å; R673-Y676 VanDerWaalsContact CG-OH 3.28Å; R673-Y676 WeakPolarHBondContact CG-OH 3.45Å; R673-Y676 PolarHBondContact O-N 2.81Å |
| 677 | K | 85.8 | Confident | 85 | Confident | 112 Ų | 112 | 70.1 Ų | 70.1 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -124.8 | 132.7 | 174.3 | -173 | 175.4 | -179.5 | 176.8 | 0 | 109.3 | R673 L679 | R673-K677 PolarHBondContact O-N 3.21Å; K677-L679 HydrophobicContact CB-CD2 4.29Å; K677-L679 HydrophobicContact CD-CD2 4.1Å; K677-L679 HydrophobicContact CG-CD2 4.14Å; K677-L679 PolarHBondContact O-N 3.27Å; K677-L679 VanDerWaalsContact O-N 3.12Å |
| 678 | H | 82.3 | Confident | 84.3 | Confident | 181 Ų | 181 | 73.5 Ų | 73.5 | 84% | 0.838 | 37% | 0.367 | S | S | * | . | trans | -68 | 110.5 | 166.6 | -69 | -69.6 | 0 | 0 | 0 | 108.7 | ||||
| 679 | L | 79.9 | Confident | 83.6 | Confident | 43 Ų | 43 | 75.4 Ų | 75.4 | 23% | 0.225 | 38% | 0.381 | C | S | . | . | trans | -93 | 126.5 | 179.3 | -59.6 | 178.7 | 0 | 0 | 0 | 109.7 | N3 I4 R673 A674 K677 L681 | N3-L679 WeakPolarHBondContact O-CD1 3.37Å; I4-L679 HydrophobicContact CG1-CD1 4.3Å; R673-L679 HydrophobicContact CB-CD1 3.95Å; R673-L679 HydrophobicContact CB-CD2 4.18Å; R673-L679 HydrophobicContact CB-CG 4.48Å; A674-L679 HydrophobicContact CB-CD1 3.95Å; K677-L679 HydrophobicContact CB-CD2 4.29Å; K677-L679 HydrophobicContact CD-CD2 4.1Å; K677-L679 HydrophobicContact CG-CD2 4.14Å; K677-L679 PolarHBondContact O-N 3.27Å; K677-L679 VanDerWaalsContact O-N 3.12Å; L679-L681 HydrophobicContact CB-CD1 4.14Å; L679-L681 HydrophobicContact CB-CD2 3.94Å; L679-L681 HydrophobicContact CB-CG 3.8Å; L679-L681 HydrophobicContact CD1-CD1 4.49Å; L679-L681 HydrophobicContact CD1-CD2 4.3Å; L679-L681 PolarHBondContact O-N 3.1Å | ||
| 680 | H | 77.2 | Confident | 82.5 | Confident | 157 Ų | 157 | 75.9 Ų | 75.9 | 73% | 0.727 | 38% | 0.384 | S | S | * | . | trans | -84.4 | 89.9 | 169.3 | -63.2 | -76.8 | 0 | 0 | 0 | 108.5 | ||||
| 681 | L | 79.9 | Confident | 81.2 | Confident | 47 Ų | 47 | 79 Ų | 79 | 25% | 0.246 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -95 | 117.9 | -177.4 | -56.5 | 166.7 | 0 | 0 | 0 | 109.4 | N3 I4 W614 I636 L679 | N3-L681 HydrophobicContact CB-CD2 3.83Å; I4-L681 HydrophobicContact CD1-CD1 3.87Å; I4-L681 HydrophobicContact CG1-CD1 3.85Å; I4-L681 HydrophobicContact CG1-CD2 3.93Å; W614-L681 HydrophobicContact CH2-CD1 4.43Å; W614-L681 HydrophobicContact CZ2-CD1 4.19Å; I636-L681 HydrophobicContact CG2-CB 3.54Å; I636-L681 HydrophobicContact CG2-CD1 3.48Å; I636-L681 VanDerWaalsContact CG2-CD1 3.48Å; I636-L681 HydrophobicContact CG2-CD2 4.31Å; I636-L681 HydrophobicContact CG2-CG 3.94Å; L679-L681 HydrophobicContact CB-CD1 4.14Å; L679-L681 HydrophobicContact CB-CD2 3.94Å; L679-L681 HydrophobicContact CB-CG 3.8Å; L679-L681 HydrophobicContact CD1-CD1 4.49Å; L679-L681 HydrophobicContact CD1-CD2 4.3Å; L679-L681 PolarHBondContact O-N 3.1Å |
| 682 | Q | 78.2 | Confident | 79.8 | Confident | 129 Ų | 129 | 81 Ų | 81 | 60% | 0.603 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 137 | 170.6 | -68.4 | -177 | -5.9 | 0 | 0 | 109.4 | L684 | Q682-L684 PolarHBondContact O-N 3.45Š|
| 683 | P | 82.7 | Confident | 77.8 | Confident | 75 Ų | 75 | 88.6 Ų | 88.6 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 127.9 | 176.2 | 26.4 | -32.7 | 0 | 0 | 0 | 110.3 | K634 L635 | K634-P683 HydrophobicContact CB-CB 3.91Å; K634-P683 HydrophobicContact CD-CB 3.55Å; K634-P683 HydrophobicContact CD-CG 3.98Å; K634-P683 HydrophobicContact CG-CB 4.28Å; L635-P683 CarbonylContact O-C 3.57Å; L635-P683 WeakPolarHBondContact O-CA 3.37Å |
| 684 | L | 85.2 | Confident | 76.2 | Confident | 44 Ų | 44 | 89.5 Ų | 89.5 | 23% | 0.23 | 48% | 0.48 | C | S | . | . | B | Isolated β-bridge | trans | -79.5 | 151.8 | 174.6 | -62.1 | 172.4 | 0 | 0 | 0 | 110.3 | L635 I636 C638 Q682 F688 | L635-L684 HydrophobicContact CB-CB 4.33Å; L635-L684 HydrophobicContact CD2-CB 4.09Å; L635-L684 HydrophobicContact CG-CB 4.18Å; L635-L684 PolarHBondContact O-N 3Å; I636-L684 WeakPolarHBondContact O-CD1 3.3Å; C638-L684 HydrophobicContact CB-CD1 4.37Å; Q682-L684 PolarHBondContact O-N 3.45Å; L684-F688 HydrophobicContact CB-CB 4.13Å; L684-F688 HydrophobicContact CB-CD1 4.48Å; L684-F688 HydrophobicContact CB-CG 4.23Å; L684-F688 HydrophobicContact CD1-CD1 3.82Å; L684-F688 HydrophobicContact CD1-CE1 3.98Å; L684-F688 HydrophobicContact CD1-CG 4.35Å; L684-F688 HydrophobicContact CD2-CD2 4.38Å; L684-F688 HydrophobicContact CD2-CE2 4.38Å; L684-F688 HydrophobicContact CD2-CG 4.44Å; L684-F688 HydrophobicContact CD2-CZ 4.44Å |
| 685 | P | 82.3 | Confident | 74.6 | Confident | 88 Ų | 88 | 92.6 Ų | 92.6 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 146.8 | 168.2 | -23.9 | 33.3 | 0 | 0 | 0 | 111.6 | D687 F688 | P685-D687 PolarHBondContact O-N 3.29Å; P685-F688 HydrophobicContact CB-CB 4.4Å; P685-F688 WeakPolarHBondContact O-CB 3.25Å; P685-F688 PolarHBondContact O-N 3.33Å |
| 686 | I | 76 | Confident | 73.2 | Confident | 82 Ų | 82 | 91.3 Ų | 91.3 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -35.4 | -178 | -61.7 | 163.8 | 0 | 0 | 0 | 111.4 | I596 W628 F688 | I596-I686 HydrophobicContact CB-CG2 4.49Å; I596-I686 WeakPolarHBondContact O-CG2 3.23Å; W628-I686 HydrophobicContact CH2-CG2 4.44Å; W628-I686 HydrophobicContact CZ3-CG2 4.47Å; I686-F688 VanDerWaalsContact C-N 3.27Å; I686-F688 PolarHBondContact O-N 3.18Å |
| 687 | D | 74.2 | Confident | 71.9 | Confident | 136 Ų | 136 | 85.7 Ų | 85.7 | 73% | 0.727 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 11.9 | 178.9 | -58.3 | -32 | 0 | 0 | 0 | 113.2 | P685 V689 | P685-D687 PolarHBondContact O-N 3.29Å; D687-V689 PolarHBondContact O-N 3.32Å; D687-V689 VanDerWaalsContact O-N 3.14Å |
| 688 | F | 77.6 | Confident | 70.5 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 32% | 0.316 | 47% | 0.47 | S | S | . | . | trans | -63.9 | 119.9 | -178.7 | -179.1 | -93.8 | 0 | 0 | 0 | 110.7 | L635 C638 L684 P685 I686 P690 | L635-F688 HydrophobicContact CD2-CB 4.12Å; C638-F688 HydrophobicContact CB-CD1 3.91Å; C638-F688 HydrophobicContact CB-CE1 4.26Å; L684-F688 HydrophobicContact CB-CB 4.13Å; L684-F688 HydrophobicContact CB-CD1 4.48Å; L684-F688 HydrophobicContact CB-CG 4.23Å; L684-F688 HydrophobicContact CD1-CD1 3.82Å; L684-F688 HydrophobicContact CD1-CE1 3.98Å; L684-F688 HydrophobicContact CD1-CG 4.35Å; L684-F688 HydrophobicContact CD2-CD2 4.38Å; L684-F688 HydrophobicContact CD2-CE2 4.38Å; L684-F688 HydrophobicContact CD2-CG 4.44Å; L684-F688 HydrophobicContact CD2-CZ 4.44Å; P685-F688 HydrophobicContact CB-CB 4.4Å; P685-F688 WeakPolarHBondContact O-CB 3.25Å; P685-F688 PolarHBondContact O-N 3.33Å; I686-F688 VanDerWaalsContact C-N 3.27Å; I686-F688 PolarHBondContact O-N 3.18Å; F688-P690 HydrophobicContact CE1-CG 4.07Å | ||
| 689 | V | 76.4 | Confident | 69.3 | Low | 63 Ų | 63 | 75.2 Ų | 75.2 | 38% | 0.382 | 43% | 0.432 | S | S | . | . | trans | -122.9 | 124.9 | 170 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | L624 D687 S691 | L624-V689 HydrophobicContact CD1-CG1 4.27Å; L624-V689 HydrophobicContact CD1-CG2 4.39Å; D687-V689 PolarHBondContact O-N 3.32Å; D687-V689 VanDerWaalsContact O-N 3.14Å; V689-S691 PolarHBondContact O-N 3.07Å | ||
| 690 | P | 69.1 | Low | 68.1 | Low | 11 Ų | 11 | 73.2 Ų | 73.2 | 7% | 0.071 | 42% | 0.421 | C | S | . | . | trans | -53.6 | 129.6 | 174.9 | -23.8 | 31.6 | 0 | 0 | 0 | 110.7 | L624 C638 F688 G692 | L624-P690 HydrophobicContact CD2-CG 4.13Å; C638-P690 WeakPolarHBondContact O-CG 3.18Å; F688-P690 HydrophobicContact CE1-CG 4.07Å; P690-G692 PolarHBondContact O-N 2.74Å | ||
| 691 | S | 64.3 | Low | 66.9 | Low | 66 Ų | 66 | 66.3 Ų | 66.3 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | trans | -54.7 | 134.5 | 179.1 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | V689 N693 Q694 | V689-S691 PolarHBondContact O-N 3.07Å; S691-N693 PolarHBondContact O-N 3.45Å; S691-Q694 PolarHBondContact O-N 3.43Å | ||
| 692 | G | 61.9 | Low | 65 | Low | 62 Ų | 62 | 70.7 Ų | 70.7 | 64% | 0.639 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -16.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P690 Q694 | P690-G692 PolarHBondContact O-N 2.74Å; G692-Q694 VanDerWaalsContact C-N 3.32Å |
| 693 | N | 50.1 | Low | 63 | Low | 166 Ų | 166 | 67.5 Ų | 67.5 | 89% | 0.888 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -16.1 | 175.5 | -69.3 | -5 | 0 | 0 | 0 | 113.3 | S691 S695 | S691-N693 PolarHBondContact O-N 3.45Å; N693-S695 PolarHBondContact O-N 2.81Å |
| 694 | Q | 57.1 | Low | 60.7 | Low | 104 Ų | 104 | 68.5 Ų | 68.5 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -75.9 | 122.1 | 170.8 | -70.2 | -177.8 | 5.4 | 0 | 0 | 108.1 | S691 G692 | S691-Q694 PolarHBondContact O-N 3.43Å; G692-Q694 VanDerWaalsContact C-N 3.32Å |
| 695 | S | 53.1 | Low | 58 | Low | 103 Ų | 103 | 71.7 Ų | 71.7 | 72% | 0.72 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 129.6 | 173.9 | 55.4 | 0 | 0 | 0 | 0 | 108.4 | N693 V697 | N693-S695 PolarHBondContact O-N 2.81Å; S695-V697 PolarHBondContact O-N 3.45Å |
| 696 | P | 57.4 | Low | 55.5 | Low | 44 Ų | 44 | 72 Ų | 72 | 29% | 0.286 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -49.9 | 146.1 | 173.1 | 24.9 | -35.8 | 0 | 0 | 0 | 108.8 | R640 E642 S698 | R640-P696 HydrophobicContact CG-CB 4.44Å; E642-P696 HydrophobicContact CB-CB 4.48Å; E642-P696 HydrophobicContact CB-CG 4.4Å; E642-P696 HydrophobicContact CG-CB 3.67Å; E642-P696 HydrophobicContact CG-CG 3.35Å; P696-S698 PolarHBondContact O-N 2.87Å |
| 697 | V | 58.2 | Low | 53.3 | Low | 15 Ų | 15 | 74 Ų | 74 | 9% | 0.091 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -61.7 | 114.6 | 178.5 | -175.8 | 0 | 0 | 0 | 0 | 106.7 | F639 R640 W670 S695 L699 | F639-V697 HydrophobicContact CB-CG2 3.94Å; F639-V697 HydrophobicContact CD2-CB 4.12Å; F639-V697 HydrophobicContact CD2-CG2 3.9Å; F639-V697 HydrophobicContact CG-CG2 4.32Å; R640-V697 PolarHBondContact O-N 2.93Å; W670-V697 HydrophobicContact CH2-CG1 4.11Å; W670-V697 HydrophobicContact CZ3-CG1 3.68Å; S695-V697 PolarHBondContact O-N 3.45Å; V697-L699 PolarHBondContact O-N 2.89Å |
| 698 | S | 56.7 | Low | 51.1 | Low | 66 Ų | 66 | 72.2 Ų | 72.2 | 46% | 0.462 | 41% | 0.405 | S | S | . | . | trans | -50.6 | 135.3 | 176.7 | 59.9 | 0 | 0 | 0 | 0 | 108 | P696 | P696-S698 PolarHBondContact O-N 2.87Š| ||
| 699 | L | 58.3 | Low | 48.9 | Very low | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.037 | 42% | 0.417 | C | S | . | . | trans | -52.8 | 152.6 | 178.1 | -71.1 | 169.7 | 0 | 0 | 0 | 110.8 | V641 L643 H661 Y668 V697 T701 | V641-L699 HydrophobicContact CG1-CD2 3.47Å; V641-L699 VanDerWaalsContact CG1-CD2 3.47Å; V641-L699 HydrophobicContact CG1-CG 4.39Å; L643-L699 HydrophobicContact CD1-CD1 3.83Å; L643-L699 HydrophobicContact CG-CD1 4.25Å; H661-L699 WeakPolarHBondContact CE1-CD2 3.22Å; H661-L699 VanDerWaalsContact NE2-CD2 3.27Å; H661-L699 WeakPolarHBondContact NE2-CD2 3.36Å; Y668-L699 HydrophobicContact CD1-CB 3.76Å; Y668-L699 HydrophobicContact CD1-CD2 4.3Å; Y668-L699 HydrophobicContact CD1-CG 4.48Å; Y668-L699 HydrophobicContact CE1-CB 3.56Å; Y668-L699 HydrophobicContact CE1-CD1 3.99Å; Y668-L699 HydrophobicContact CE1-CD2 4.38Å; Y668-L699 HydrophobicContact CE1-CG 4.19Å; V697-L699 PolarHBondContact O-N 2.89Å; L699-T701 VanDerWaalsContact C-N 3.33Å; L699-T701 PolarHBondContact O-N 3.12Å; L699-T701 PolarHBondContact O-OG1 3.3Å | ||
| 700 | P | 55.3 | Low | 46.7 | Very low | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -56 | 82.3 | -176.8 | -32.4 | 35.2 | 0 | 0 | 0 | 117.6 | P7 R9 V10 R40 Y668 L669 W670 | P7-P700 VanDerWaalsContact CB-CA 3.43Å; P7-P700 HydrophobicContact CB-CB 3.87Å; P7-P700 HydrophobicContact CB-CG 4.03Å; R9-P700 CarbonylContact C-O 3.58Å; V10-P700 WeakPolarHBondContact CG2-O 3.2Å; R40-P700 PolarHBondContact NH2-O 3.27Å; Y668-P700 HydrophobicContact CD1-CB 4.29Å; Y668-P700 HydrophobicContact CD1-CG 4.39Å; L669-P700 WeakPolarHBondContact O-CB 3.36Å; L669-P700 WeakPolarHBondContact O-CG 3.01Å; W670-P700 HydrophobicContact CD2-CG 3.4Å; W670-P700 HydrophobicContact CE3-CG 3.69Å; W670-P700 HydrophobicContact CG-CG 3.94Å; W670-P700 HydrophobicContact CH2-CG 3.88Å; W670-P700 HydrophobicContact CZ2-CG 3.6Å; W670-P700 HydrophobicContact CZ3-CG 3.9Å |
| 701 | T | 50.1 | Low | 45 | Very low | 13 Ų | 13 | 78.3 Ų | 78.3 | 8% | 0.08 | 45% | 0.447 | C | S | . | . | trans | -97.9 | -9.2 | 178.7 | -31.4 | 0 | 0 | 0 | 0 | 112.7 | E39 R40 P57 L699 I703 | E39-T701 HydrophobicContact CB-CG2 4.21Å; E39-T701 WeakPolarHBondContact OE2-CG2 3.27Å; E39-T701 PolarHBondContact OE2-OG1 2.76Å; R40-T701 PolarHBondContact NH1-O 2.87Å; P57-T701 HydrophobicContact CB-CG2 3.32Å; P57-T701 HydrophobicContact CG-CG2 4.4Å; L699-T701 VanDerWaalsContact C-N 3.33Å; L699-T701 PolarHBondContact O-N 3.12Å; L699-T701 PolarHBondContact O-OG1 3.3Å; T701-I703 PolarHBondContact O-N 3.08Å | ||
| 702 | R | 41.1 | Very low | 43.9 | Very low | 139 Ų | 139 | 77.7 Ų | 77.7 | 53% | 0.525 | 44% | 0.44 | S | S | . | . | trans | -95.1 | 86.5 | -165.6 | -152.7 | -176.3 | -157.6 | -164.8 | 4.5 | 115.2 | H6 Y8 L704 | H6-R702 PolarHBondContact CE1-NH1 2.89Å; H6-R702 PolarHBondContact NE2-NH1 3.36Å; Y8-R702 CarbonylContact C-O 3.6Å; Y8-R702 CarbonylContact O-C 3.6Å; R702-L704 PolarHBondContact O-N 2.9Å | ||
| 703 | I | 35.8 | Very low | 42.7 | Very low | 61 Ų | 61 | 80.9 Ų | 80.9 | 31% | 0.313 | 44% | 0.441 | S | S | . | . | trans | -74.4 | 114.5 | 168.4 | -62.9 | 170.5 | 0 | 0 | 0 | 108.2 | Y8 R9 T701 M705 | Y8-I703 VanDerWaalsContact O-CA 3.29Å; Y8-I703 WeakPolarHBondContact O-CA 3.07Å; Y8-I703 PolarHBondContact O-N 3.4Å; R9-I703 HydrophobicContact CB-CD1 4.49Å; R9-I703 HydrophobicContact CB-CG1 3.89Å; R9-I703 HydrophobicContact CG-CD1 3.78Å; R9-I703 HydrophobicContact CG-CG1 3.74Å; T701-I703 PolarHBondContact O-N 3.08Å; I703-M705 PolarHBondContact O-N 3.03Å | ||
| 704 | L | 34.3 | Very low | 42.1 | Very low | 96 Ų | 96 | 79.4 Ų | 79.4 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | trans | -58.2 | 131.2 | 167.1 | -99.1 | 154.5 | 0 | 0 | 0 | 109.3 | R702 T706 | R702-L704 PolarHBondContact O-N 2.9Å; L704-T706 PolarHBondContact O-N 3.27Å | ||
| 705 | M | 28.9 | Very low | 41.1 | Very low | 111 Ų | 111 | 77.5 Ų | 77.5 | 55% | 0.547 | 42% | 0.422 | S | S | . | . | trans | -51.1 | 126.4 | 177.4 | -58.2 | -160.4 | -171.3 | 0 | 0 | 109.5 | Y88 I703 Q707 | Y88-M705 HydrophobicContact CD1-CE 3.86Å; Y88-M705 HydrophobicContact CE1-CE 3.29Å; Y88-M705 HydrophobicContact CE1-SD 3.65Å; I703-M705 PolarHBondContact O-N 3.03Å; M705-Q707 VanDerWaalsContact C-N 3.26Å; M705-Q707 PolarHBondContact O-N 2.97Å | ||
| 706 | T | 29.4 | Very low | 40.1 | Very low | 95 Ų | 95 | 74.8 Ų | 74.8 | 58% | 0.583 | 41% | 0.41 | S | S | * | . | trans | -62.7 | 100.8 | 156.4 | 49.9 | 0 | 0 | 0 | 0 | 106 | L704 N708 | L704-T706 PolarHBondContact O-N 3.27Å; T706-N708 PolarHBondContact O-N 3.44Å | ||
| 707 | Q | 29.3 | Very low | 38.9 | Very low | 124 Ų | 124 | 77.7 Ų | 77.7 | 58% | 0.579 | 42% | 0.421 | S | S | * | . | trans | -68.1 | 43 | 163 | -70.2 | -176.9 | -15.5 | 0 | 0 | 110.3 | M705 T709 | M705-Q707 VanDerWaalsContact C-N 3.26Å; M705-Q707 PolarHBondContact O-N 2.97Å; Q707-T709 VanDerWaalsContact C-N 3.28Å; Q707-T709 PolarHBondContact O-N 2.86Å; Q707-T709 VanDerWaalsContact O-N 3.11Å | ||
| 708 | N | 29.6 | Very low | 37.5 | Very low | 99 Ų | 99 | 85.2 Ų | 85.2 | 53% | 0.529 | 46% | 0.461 | S | S | . | . | trans | -82.5 | 91.7 | 163.7 | -75.7 | 3 | 0 | 0 | 0 | 105.5 | T706 C710 D711 | T706-N708 PolarHBondContact O-N 3.44Å; N708-C710 PolarHBondContact O-N 3.49Å; N708-D711 PolarHBondContact O-N 2.89Å; N708-D711 VanDerWaalsContact O-N 3.15Å | ||
| 709 | T | 30.6 | Very low | 36.6 | Very low | 93 Ų | 93 | 85 Ų | 85 | 57% | 0.571 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -8.7 | 170.1 | 45.3 | 0 | 0 | 0 | 0 | 113.8 | Q707 I713 | Q707-T709 VanDerWaalsContact C-N 3.28Å; Q707-T709 PolarHBondContact O-N 2.86Å; Q707-T709 VanDerWaalsContact O-N 3.11Å; T709-I713 WeakPolarHBondContact O-CD1 3.47Å |
| 710 | C | 29.6 | Very low | 35.3 | Very low | 90 Ų | 90 | 91.6 Ų | 91.6 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -31.8 | 177.2 | -62.4 | 0 | 0 | 0 | 0 | 114.9 | N708 | N708-C710 PolarHBondContact O-N 3.49Š|
| 711 | D | 34.7 | Very low | 34.6 | Very low | 90 Ų | 90 | 95.2 Ų | 95.2 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -18.4 | -172.2 | -69.1 | -7.1 | 0 | 0 | 0 | 113.1 | N708 I713 E714 | N708-D711 PolarHBondContact O-N 2.89Å; N708-D711 VanDerWaalsContact O-N 3.15Å; D711-I713 PolarHBondContact O-N 3.23Å; D711-E714 PolarHBondContact O-N 3.23Å |
| 712 | V | 40.2 | Very low | 33.7 | Very low | 53 Ų | 53 | 98.7 Ų | 98.7 | 32% | 0.321 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25.8 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | L715 | V712-L715 PolarHBondContact O-N 2.69Š|
| 713 | I | 37.1 | Very low | 33.4 | Very low | 129 Ų | 129 | 100.1 Ų | 100.1 | 66% | 0.662 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -72.8 | -30.6 | -178.5 | -56.2 | 173.6 | 0 | 0 | 0 | 111.1 | T709 D711 L715 G716 | T709-I713 WeakPolarHBondContact O-CD1 3.47Å; D711-I713 PolarHBondContact O-N 3.23Å; I713-L715 PolarHBondContact O-N 2.98Å; I713-G716 PolarHBondContact O-N 2.96Å; I713-G716 VanDerWaalsContact O-N 3.13Å |
| 714 | E | 37.8 | Very low | 33.5 | Very low | 135 Ų | 135 | 107 Ų | 107 | 63% | 0.631 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -68 | -16.8 | 177.2 | -79 | -163.2 | 160 | 0 | 0 | 113.9 | D711 | D711-E714 PolarHBondContact O-N 3.23Š|
| 715 | L | 36.4 | Very low | 33.3 | Very low | 65 Ų | 65 | 106.3 Ų | 106.3 | 34% | 0.34 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -91.4 | 6.2 | 175.5 | -71.1 | 168.4 | 0 | 0 | 0 | 113.6 | I25 V712 I713 M717 | I25-L715 HydrophobicContact CD1-CD2 3.5Å; I25-L715 VanDerWaalsContact CD1-CD2 3.5Å; V712-L715 PolarHBondContact O-N 2.69Å; I713-L715 PolarHBondContact O-N 2.98Å; L715-M717 PolarHBondContact O-N 2.8Å |
| 716 | G | 31.8 | Very low | 33.4 | Very low | 45 Ų | 45 | 107 Ų | 107 | 46% | 0.464 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 62 | 36.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I713 | I713-G716 PolarHBondContact O-N 2.96Å; I713-G716 VanDerWaalsContact O-N 3.13Å |
| 717 | M | 31.4 | Very low | 33.7 | Very low | 106 Ų | 106 | 108.5 Ų | 108.5 | 52% | 0.522 | 57% | 0.573 | S | S | . | * | trans | -138.7 | 111.5 | 175 | -70.9 | -171.3 | 153.6 | 0 | 0 | 111.4 | L715 T719 | L715-M717 PolarHBondContact O-N 2.8Å; M717-T719 PolarHBondContact O-N 3.31Å | ||
| 718 | D | 30.2 | Very low | 33.8 | Very low | 172 Ų | 172 | 110.8 Ų | 110.8 | 92% | 0.92 | 58% | 0.584 | S | S | * | * | trans | -59.8 | 120.9 | 172.3 | -62.7 | -33.9 | 0 | 0 | 0 | 109.9 | ||||
| 719 | T | 36.2 | Very low | 34.3 | Very low | 62 Ų | 62 | 114 Ų | 114 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | trans | -137.7 | 129.3 | 168 | 42.3 | 0 | 0 | 0 | 0 | 110.6 | M717 I721 | M717-T719 PolarHBondContact O-N 3.31Å; T719-I721 WeakPolarHBondContact O-CG1 3.33Å; T719-I721 PolarHBondContact O-N 3.42Å | ||
| 720 | D | 32.6 | Very low | 34.3 | Very low | 145 Ų | 145 | 116.3 Ų | 116.3 | 78% | 0.775 | 60% | 0.596 | S | S | * | * | trans | -65.7 | 90.2 | 174.3 | -65.7 | -41.6 | 0 | 0 | 0 | 110.3 | S722 | D720-S722 PolarHBondContact O-N 3.32Š| ||
| 721 | I | 39.3 | Very low | 34.4 | Very low | 76 Ų | 76 | 118.6 Ų | 118.6 | 39% | 0.39 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -72.1 | -7.7 | -179.1 | -67.5 | 159.4 | 0 | 0 | 0 | 112.3 | T719 K723 M725 | T719-I721 WeakPolarHBondContact O-CG1 3.33Å; T719-I721 PolarHBondContact O-N 3.42Å; I721-K723 VanDerWaalsContact C-N 3.28Å; I721-K723 PolarHBondContact O-N 3.49Å; I721-M725 HydrophobicContact CG2-CE 3.61Å; I721-M725 HydrophobicContact CG2-CG 4.3Å |
| 722 | S | 31.5 | Very low | 34.6 | Very low | 86 Ų | 86 | 121.4 Ų | 121.4 | 60% | 0.601 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -68.2 | -16.8 | -176.5 | 55 | 0 | 0 | 0 | 0 | 115.2 | D720 | D720-S722 PolarHBondContact O-N 3.32Š|
| 723 | K | 34.8 | Very low | 34.4 | Very low | 169 Ų | 169 | 125.9 Ų | 125.9 | 74% | 0.735 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -89 | -11.2 | -178 | -79.1 | -178.8 | 178.5 | 173.7 | 0 | 115.7 | I721 | I721-K723 VanDerWaalsContact C-N 3.28Å; I721-K723 PolarHBondContact O-N 3.49Å |
| 724 | Y | 37.5 | Very low | 34.1 | Very low | 205 Ų | 205 | 124 Ų | 124 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -5.7 | -177.7 | -74.2 | -84.5 | 0 | 0 | 0 | 113.9 | ||
| 725 | M | 30.6 | Very low | 33.8 | Very low | 83 Ų | 83 | 122.9 Ų | 122.9 | 41% | 0.409 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -82.7 | -19.4 | -177.9 | -71.5 | -124.7 | -161.6 | 0 | 0 | 114.3 | I721 | I721-M725 HydrophobicContact CG2-CE 3.61Å; I721-M725 HydrophobicContact CG2-CG 4.3Å |
| 726 | D | 31 | Very low | 33.8 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 67% | 0.674 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -100.2 | -2.4 | -165.3 | -66.3 | -14.4 | 0 | 0 | 0 | 115 | ||
| 727 | I | 34.6 | Very low | 33.8 | Very low | 126 Ų | 126 | 137 Ų | 137 | 65% | 0.646 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -106.6 | -27.8 | -168 | -58.5 | 175.5 | 0 | 0 | 0 | 113.7 | ||
| 728 | E | 33.3 | Very low | 33.9 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -97.1 | -7.6 | -175.3 | -70 | -171.8 | 170.7 | 0 | 0 | 115.2 | ||
| 729 | Y | 38.6 | Very low | 34.4 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 66% | 0.655 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -102.4 | -3.3 | -177.9 | -75.2 | -77.9 | 0 | 0 | 0 | 115 | ||
| 730 | M | 31.7 | Very low | 34.7 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -105.5 | -14.2 | -174.4 | -80 | -71.4 | 173.7 | 0 | 0 | 115.3 | ||
| 731 | D | 32.1 | Very low | 35.6 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -6.8 | -171.8 | -96.8 | -3.4 | 0 | 0 | 0 | 115.9 | ||
| 732 | D | 38.1 | Very low | 36.5 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 9.8 | -179.9 | -91.5 | -2.2 | 0 | 0 | 0 | 114.2 | ||
| 733 | L | 35 | Very low | 38.4 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -96.9 | 10 | -178 | -82.9 | 158.7 | 0 | 0 | 0 | 114 | ||
| 734 | S | 32.4 | Very low | 40.3 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -119.6 | 129 | -179.6 | 66.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 735 | S | 31.1 | Very low | 42.2 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | 64.2 | 96.9 | 163.4 | 56.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 736 | E | 35.9 | Very low | 44.7 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | -162.7 | 111.2 | 108.1 | -101.9 | 179.2 | -166.1 | 0 | 0 | 109.5 | C738 | E736-C738 PolarHBondContact O-N 2.92Š| |||
| 737 | K | 32.2 | Very low | 47 | Very low | 221 Ų | 221 | 135.4 Ų | 135.4 | 96% | 0.961 | 71% | 0.708 | S | S | * | * | trans | -72.8 | 100.2 | 172.7 | -74.5 | 177.9 | 176.5 | 179.6 | 0 | 108.4 | ||||
| 738 | C | 33.3 | Very low | 49.2 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 60% | 0.595 | 68% | 0.684 | S | S | * | * | trans | -136.3 | 131 | 166.3 | -148.3 | 0 | 0 | 0 | 0 | 109.8 | E736 | E736-C738 PolarHBondContact O-N 2.92Š| ||
| 739 | G | 41.2 | Very low | 51.6 | Low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | trans | -61.1 | 143.8 | -149.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | H741 | G739-H741 PolarHBondContact O-N 3.05Š| ||
| 740 | E | 42.3 | Very low | 53.7 | Low | 125 Ų | 125 | 125.4 Ų | 125.4 | 58% | 0.584 | 67% | 0.668 | S | S | * | * | trans | -58 | 127.3 | 170.2 | -64.5 | 176.6 | 172.6 | 0 | 0 | 110.8 | V742 I744 | E740-V742 HydrophobicContact CB-CB 4.19Å; E740-V742 PolarHBondContact O-N 3.45Å; E740-I744 WeakPolarHBondContact OE2-CD1 3.32Å | ||
| 741 | H | 52.2 | Low | 55.9 | Low | 203 Ų | 203 | 123.6 Ų | 123.6 | 94% | 0.94 | 67% | 0.668 | S | S | * | * | trans | -80 | 5.6 | 158.2 | -83.7 | -68.1 | 0 | 0 | 0 | 112.1 | G739 Y743 | G739-H741 PolarHBondContact O-N 3.05Å; H741-Y743 PolarHBondContact O-N 2.79Å | ||
| 742 | V | 57.2 | Low | 58.1 | Low | 103 Ų | 103 | 122 Ų | 122 | 62% | 0.624 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -70.3 | 114.3 | 164.4 | -175 | 0 | 0 | 0 | 0 | 106.2 | E740 I744 | E740-V742 HydrophobicContact CB-CB 4.19Å; E740-V742 PolarHBondContact O-N 3.45Å; V742-I744 PolarHBondContact O-N 3.49Å |
| 743 | Y | 72.1 | Confident | 60.2 | Low | 173 Ų | 173 | 117.9 Ų | 117.9 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | trans | -62.6 | 100.8 | 174.2 | 175.6 | -99.1 | 0 | 0 | 0 | 109 | H741 S745 | H741-Y743 PolarHBondContact O-N 2.79Å; Y743-S745 PolarHBondContact O-N 3.48Å | ||
| 744 | I | 74.3 | Confident | 62.6 | Low | 122 Ų | 122 | 112.8 Ų | 112.8 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | trans | -76.5 | 113.3 | 168.7 | -52.9 | 176.6 | 0 | 0 | 0 | 106.7 | E740 V742 | E740-I744 WeakPolarHBondContact OE2-CD1 3.32Å; V742-I744 PolarHBondContact O-N 3.49Å | ||
| 745 | S | 78 | Confident | 65.3 | Low | 86 Ų | 86 | 109.7 Ų | 109.7 | 60% | 0.601 | 58% | 0.584 | S | S | * | * | trans | -63 | 131.9 | 176.6 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | Y743 | Y743-S745 PolarHBondContact O-N 3.48Š| ||
| 746 | P | 82.9 | Confident | 68 | Low | 66 Ų | 66 | 110 Ų | 110 | 43% | 0.429 | 58% | 0.576 | S | S | . | * | trans | -64.7 | 155 | 175.6 | 28.6 | -35.2 | 0 | 0 | 0 | 111.5 | Q748 L749 | P746-Q748 PolarHBondContact O-N 3.21Å; P746-L749 HydrophobicContact CG-CD2 3.52Å; P746-L749 HydrophobicContact CG-CG 4.25Å | ||
| 747 | E | 78.3 | Confident | 70.4 | Confident | 164 Ų | 164 | 101.7 Ų | 101.7 | 77% | 0.766 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -58.9 | -33.6 | -178.6 | -66.5 | -173.3 | 164.3 | 0 | 0 | 113.5 | ||
| 748 | Q | 82.1 | Confident | 73.1 | Confident | 28 Ų | 28 | 94.7 Ų | 94.7 | 13% | 0.131 | 53% | 0.529 | C | S | . | . | trans | -146.5 | 124.7 | 172.6 | -177.2 | 169.5 | 26.9 | 0 | 0 | 109.2 | P746 Q750 L753 T755 | P746-Q748 PolarHBondContact O-N 3.21Å; Q748-Q750 WeakPolarHBondContact CG-O 3.37Å; Q748-Q750 PolarHBondContact NE2-O 3.25Å; Q748-L753 PolarHBondContact NE2-O 3.42Å; Q748-T755 HydrophobicContact CB-CG2 3.75Å; Q748-T755 HydrophobicContact CG-CG2 3.56Å | ||
| 749 | L | 83.5 | Confident | 75.7 | Confident | 120 Ų | 120 | 91.8 Ų | 91.8 | 63% | 0.628 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -69.7 | -46.1 | 178.4 | -71.6 | 166.9 | 0 | 0 | 0 | 111.8 | P746 L753 | P746-L749 HydrophobicContact CG-CD2 3.52Å; P746-L749 HydrophobicContact CG-CG 4.25Å; L749-L753 HydrophobicContact CB-CD1 4.1Å |
| 750 | Q | 81.6 | Confident | 78 | Confident | 106 Ų | 106 | 92.7 Ų | 92.7 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | trans | -148 | 145.8 | -178.4 | -64.2 | 178.2 | -31.8 | 0 | 0 | 110.6 | Q748 H752 L753 | Q748-Q750 WeakPolarHBondContact CG-O 3.37Å; Q748-Q750 PolarHBondContact NE2-O 3.25Å; Q750-H752 VanDerWaalsContact C-N 3.25Å; Q750-H752 PolarHBondContact O-N 2.7Å; Q750-H752 PolarHBondContact OE1-CE1 2.77Å; Q750-H752 PolarHBondContact OE1-NE2 3.12Å; Q750-L753 HydrophobicContact CB-CD1 4.01Å; Q750-L753 HydrophobicContact CB-CG 4.19Å; Q750-L753 HydrophobicContact CG-CD1 4.42Å; Q750-L753 WeakPolarHBondContact O-CB 3.41Å; Q750-L753 PolarHBondContact O-N 3.44Å | ||
| 751 | C | 78 | Confident | 80.2 | Confident | 103 Ų | 103 | 91.3 Ų | 91.3 | 70% | 0.696 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.8 | -173.3 | -55.3 | 0 | 0 | 0 | 0 | 115.1 | N936 | C751-N936 PolarHBondContact O-ND2 3.42Š|
| 752 | H | 79.3 | Confident | 82.1 | Confident | 105 Ų | 105 | 85 Ų | 85 | 49% | 0.486 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -11.3 | 177.5 | 66 | -91 | 0 | 0 | 0 | 112.9 | Q750 | Q750-H752 VanDerWaalsContact C-N 3.25Å; Q750-H752 PolarHBondContact O-N 2.7Å; Q750-H752 PolarHBondContact OE1-CE1 2.77Å; Q750-H752 PolarHBondContact OE1-NE2 3.12Å |
| 753 | L | 81.6 | Confident | 83.7 | Confident | 62 Ų | 62 | 81.8 Ų | 81.8 | 33% | 0.325 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -83.2 | 134.5 | 173.9 | -67.4 | 173 | 0 | 0 | 0 | 109.3 | Q748 L749 Q750 | Q748-L753 PolarHBondContact NE2-O 3.42Å; L749-L753 HydrophobicContact CB-CD1 4.1Å; Q750-L753 HydrophobicContact CB-CD1 4.01Å; Q750-L753 HydrophobicContact CB-CG 4.19Å; Q750-L753 HydrophobicContact CG-CD1 4.42Å; Q750-L753 WeakPolarHBondContact O-CB 3.41Å; Q750-L753 PolarHBondContact O-N 3.44Å |
| 754 | L | 85.8 | Confident | 84.5 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 20% | 0.204 | 43% | 0.433 | C | S | . | . | trans | -76.9 | 120.4 | 177.2 | -171.6 | 150.5 | 0 | 0 | 0 | 109.9 | L756 F939 L1019 | L754-L756 HydrophobicContact CD2-CD2 4.16Å; L754-F939 HydrophobicContact CD1-CB 4.08Å; L754-F939 HydrophobicContact CD1-CD1 3.8Å; L754-F939 HydrophobicContact CD1-CD2 3.51Å; L754-F939 HydrophobicContact CD1-CE1 4.07Å; L754-F939 HydrophobicContact CD1-CE2 3.81Å; L754-F939 HydrophobicContact CD1-CG 3.51Å; L754-F939 HydrophobicContact CD1-CZ 4.08Å; L754-F939 HydrophobicContact CD2-CB 3.62Å; L754-F939 HydrophobicContact CD2-CD1 3.93Å; L754-F939 HydrophobicContact CD2-CG 3.81Å; L754-F939 HydrophobicContact CG-CB 3.73Å; L754-F939 HydrophobicContact CG-CD1 4.25Å; L754-F939 HydrophobicContact CG-CD2 4.08Å; L754-F939 HydrophobicContact CG-CG 3.76Å; L754-L1019 HydrophobicContact CB-CD1 4.28Å; L754-L1019 HydrophobicContact CD1-CB 4.29Å; L754-L1019 HydrophobicContact CD1-CD2 4.13Å | ||
| 755 | T | 87.8 | Confident | 85.3 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 15% | 0.153 | 43% | 0.426 | C | S | . | . | trans | -105.4 | 137.9 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | Q748 N936 R937 D938 F939 | Q748-T755 HydrophobicContact CB-CG2 3.75Å; Q748-T755 HydrophobicContact CG-CG2 3.56Å; T755-N936 PolarHBondContact N-O 2.78Å; T755-N936 PolarHBondContact OG1-O 3.2Å; T755-R937 WeakPolarHBondContact OG1-CA 3.35Å; T755-D938 PolarHBondContact O-N 2.92Å; T755-F939 PolarHBondContact O-N 3Å | ||
| 756 | L | 89.1 | Confident | 85.9 | Confident | 118 Ų | 118 | 70.6 Ų | 70.6 | 62% | 0.618 | 41% | 0.412 | S | S | * | . | trans | -83.9 | 156.7 | 173.9 | -58.2 | 178.4 | 0 | 0 | 0 | 109.8 | L754 G758 D940 | L754-L756 HydrophobicContact CD2-CD2 4.16Å; L756-G758 PolarHBondContact O-N 3.24Å; L756-D940 HydrophobicContact CD2-CB 4.13Å | ||
| 757 | S | 86.5 | Confident | 86.2 | Confident | 11 Ų | 11 | 67.6 Ų | 67.6 | 8% | 0.077 | 39% | 0.392 | C | S | . | . | trans | -64.8 | -19.8 | -174.3 | 63.9 | 0 | 0 | 0 | 0 | 115.7 | I759 F764 K878 D938 D940 | S757-I759 VanDerWaalsContact C-N 3.28Å; S757-I759 PolarHBondContact OG-N 3.24Å; S757-F764 VanDerWaalsContact OG-CZ 3.31Å; S757-F764 WeakPolarHBondContact OG-CZ 3.43Å; S757-K878 PolarHBondContact O-NZ 2.96Å; S757-D938 WeakPolarHBondContact CA-OD1 3.49Å; S757-D940 WeakPolarHBondContact CB-OD1 3.35Å; S757-D940 PolarHBondContact N-OD1 3.46Å; S757-D940 PolarHBondContact N-OD2 3.4Å; S757-D940 PolarHBondContact OG-OD1 3.33Å; S757-D940 PolarHBondContact OG-OD2 3.41Å | ||
| 758 | G | 87.1 | Confident | 86.8 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 75% | 0.753 | 37% | 0.369 | S | S | * | . | trans | 81.8 | 0.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L756 | L756-G758 PolarHBondContact O-N 3.24Š| ||
| 759 | I | 88.3 | Confident | 87.2 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | trans | -74.8 | 138.8 | 176.8 | -59.9 | 176.6 | 0 | 0 | 0 | 109.5 | S757 S761 F763 F764 K878 L941 | S757-I759 VanDerWaalsContact C-N 3.28Å; S757-I759 PolarHBondContact OG-N 3.24Å; I759-S761 PolarHBondContact O-N 3.49Å; I759-F763 HydrophobicContact CD1-CD1 4.43Å; I759-F763 HydrophobicContact CD1-CE1 4.35Å; I759-F763 HydrophobicContact CG2-CB 3.31Å; I759-F763 HydrophobicContact CG2-CD1 3.57Å; I759-F763 HydrophobicContact CG2-CD2 4.11Å; I759-F763 HydrophobicContact CG2-CE1 4.38Å; I759-F763 HydrophobicContact CG2-CG 3.41Å; I759-F763 VanDerWaalsContact CG2-CG 3.41Å; I759-F764 HydrophobicContact CB-CE2 4.02Å; I759-F764 HydrophobicContact CB-CZ 3.9Å; I759-F764 HydrophobicContact CD1-CE1 4.4Å; I759-F764 HydrophobicContact CD1-CZ 4.19Å; I759-F764 HydrophobicContact CG2-CE2 4.38Å; I759-F764 HydrophobicContact CG2-CZ 4.33Å; I759-K878 HydrophobicContact CD1-CB 4.4Å; I759-K878 HydrophobicContact CD1-CG 4.08Å; I759-L941 HydrophobicContact CD1-CD1 4.45Å | ||
| 760 | P | 90.5 | Very high | 87.5 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | trans | -55 | 139.8 | 174.4 | -24.9 | 33.8 | 0 | 0 | 0 | 112.3 | S762 F763 | P760-S762 PolarHBondContact O-N 3.11Å; P760-F763 VanDerWaalsContact O-CB 3.27Å; P760-F763 WeakPolarHBondContact O-CB 3.42Å; P760-F763 PolarHBondContact O-N 3.01Å | ||
| 761 | S | 88.6 | Confident | 87.8 | Confident | 97 Ų | 97 | 57.7 Ų | 57.7 | 68% | 0.678 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.2 | -26.8 | 177.9 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | I759 F763 F764 T765 | I759-S761 PolarHBondContact O-N 3.49Å; S761-F763 VanDerWaalsContact C-N 3.29Å; S761-F763 PolarHBondContact O-N 2.91Å; S761-F764 PolarHBondContact O-N 2.81Å; S761-T765 PolarHBondContact O-N 3.36Å; S761-T765 VanDerWaalsContact O-N 3.16Å; S761-T765 PolarHBondContact O-OG1 3.3Å |
| 762 | S | 91 | Very high | 88.4 | Confident | 70 Ų | 70 | 59.6 Ų | 59.6 | 49% | 0.49 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -30.6 | 174.5 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | P760 T765 T766 | P760-S762 PolarHBondContact O-N 3.11Å; S762-T765 WeakPolarHBondContact CA-OG1 3.17Å; S762-T765 PolarHBondContact O-OG1 3.27Å; S762-T765 VanDerWaalsContact O-OG1 3.06Å; S762-T766 VanDerWaalsContact O-CB 3.27Å; S762-T766 WeakPolarHBondContact O-CB 3.4Å; S762-T766 PolarHBondContact O-N 3.39Å; S762-T766 VanDerWaalsContact O-N 3.09Å; S762-T766 PolarHBondContact O-OG1 3.34Å |
| 763 | F | 90.8 | Very high | 88.9 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 16% | 0.158 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 175.9 | -177.7 | -88.1 | 0 | 0 | 0 | 110.4 | I759 P760 S761 T766 L767 V880 T882 L885 | I759-F763 HydrophobicContact CD1-CD1 4.43Å; I759-F763 HydrophobicContact CD1-CE1 4.35Å; I759-F763 HydrophobicContact CG2-CB 3.31Å; I759-F763 HydrophobicContact CG2-CD1 3.57Å; I759-F763 HydrophobicContact CG2-CD2 4.11Å; I759-F763 HydrophobicContact CG2-CE1 4.38Å; I759-F763 HydrophobicContact CG2-CG 3.41Å; I759-F763 VanDerWaalsContact CG2-CG 3.41Å; P760-F763 VanDerWaalsContact O-CB 3.27Å; P760-F763 WeakPolarHBondContact O-CB 3.42Å; P760-F763 PolarHBondContact O-N 3.01Å; S761-F763 VanDerWaalsContact C-N 3.29Å; S761-F763 PolarHBondContact O-N 2.91Å; F763-T766 PolarHBondContact O-N 2.95Å; F763-L767 HydrophobicContact CE1-CD2 4.39Å; F763-L767 WeakPolarHBondContact O-CB 3.47Å; F763-L767 PolarHBondContact O-N 3.19Å; F763-V880 WeakPolarHBondContact CZ-O 3.36Å; F763-T882 HydrophobicContact CD1-CG2 4.2Å; F763-T882 HydrophobicContact CD2-CG2 3.53Å; F763-T882 HydrophobicContact CE1-CG2 4.2Å; F763-T882 HydrophobicContact CE2-CG2 3.53Å; F763-T882 HydrophobicContact CG-CG2 3.88Å; F763-T882 HydrophobicContact CZ-CG2 3.88Å; F763-L885 HydrophobicContact CE1-CD2 4.27Å; F763-L885 HydrophobicContact CZ-CD2 4.44Å |
| 764 | F | 89.7 | Confident | 89.2 | Confident | 19 Ų | 19 | 59 Ų | 59 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.2 | -43.5 | -179.1 | -69.1 | -47.1 | 0 | 0 | 0 | 113.2 | S757 I759 S761 T766 L767 L768 D940 L941 I944 | S757-F764 VanDerWaalsContact OG-CZ 3.31Å; S757-F764 WeakPolarHBondContact OG-CZ 3.43Å; I759-F764 HydrophobicContact CB-CE2 4.02Å; I759-F764 HydrophobicContact CB-CZ 3.9Å; I759-F764 HydrophobicContact CD1-CE1 4.4Å; I759-F764 HydrophobicContact CD1-CZ 4.19Å; I759-F764 HydrophobicContact CG2-CE2 4.38Å; I759-F764 HydrophobicContact CG2-CZ 4.33Å; S761-F764 PolarHBondContact O-N 2.81Å; F764-T766 VanDerWaalsContact C-N 3.28Å; F764-T766 PolarHBondContact O-N 2.9Å; F764-L767 PolarHBondContact O-N 3.4Å; F764-L768 PolarHBondContact O-N 3.23Å; F764-D940 HydrophobicContact CE2-CB 4.09Å; F764-D940 WeakPolarHBondContact CE2-OD2 3.44Å; F764-D940 HydrophobicContact CZ-CB 4.1Å; F764-D940 WeakPolarHBondContact CZ-OD2 3.34Å; F764-L941 HydrophobicContact CE1-CB 4.22Å; F764-L941 HydrophobicContact CE1-CD1 4.01Å; F764-L941 HydrophobicContact CZ-CB 4.33Å; F764-I944 HydrophobicContact CB-CD1 3.42Å; F764-I944 VanDerWaalsContact CB-CD1 3.42Å; F764-I944 HydrophobicContact CD1-CD1 3.12Å; F764-I944 HydrophobicContact CD1-CG1 4.39Å; F764-I944 HydrophobicContact CD2-CD1 4.15Å; F764-I944 HydrophobicContact CE1-CD1 3.84Å; F764-I944 HydrophobicContact CG-CD1 3.29Å |
| 765 | T | 89.9 | Confident | 89.5 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.2 | -35.1 | 175.3 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | S761 S762 N769 | S761-T765 PolarHBondContact O-N 3.36Å; S761-T765 VanDerWaalsContact O-N 3.16Å; S761-T765 PolarHBondContact O-OG1 3.3Å; S762-T765 WeakPolarHBondContact CA-OG1 3.17Å; S762-T765 PolarHBondContact O-OG1 3.27Å; S762-T765 VanDerWaalsContact O-OG1 3.06Å; T765-N769 WeakPolarHBondContact O-CB 3.02Å; T765-N769 PolarHBondContact O-N 3.24Å; T765-N769 PolarHBondContact O-ND2 3.27Å |
| 766 | T | 90.9 | Very high | 89.6 | Confident | 48 Ų | 48 | 68.9 Ų | 68.9 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.3 | -40.3 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | S762 F763 F764 N769 L770 I773 T882 | S762-T766 VanDerWaalsContact O-CB 3.27Å; S762-T766 WeakPolarHBondContact O-CB 3.4Å; S762-T766 PolarHBondContact O-N 3.39Å; S762-T766 VanDerWaalsContact O-N 3.09Å; S762-T766 PolarHBondContact O-OG1 3.34Å; F763-T766 PolarHBondContact O-N 2.95Å; F764-T766 VanDerWaalsContact C-N 3.28Å; F764-T766 PolarHBondContact O-N 2.9Å; T766-N769 CarbonylContact O-C 3.51Å; T766-L770 WeakPolarHBondContact O-CA 3.4Å; T766-L770 VanDerWaalsContact O-CB 3.31Å; T766-L770 WeakPolarHBondContact O-CB 3.47Å; T766-L770 PolarHBondContact O-N 3.23Å; T766-I773 HydrophobicContact CG2-CD1 3.91Å; T766-T882 HydrophobicContact CG2-CG2 4.12Å |
| 767 | L | 89.9 | Confident | 89.5 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67 | -43.9 | 179.7 | -172.7 | 71 | 0 | 0 | 0 | 111.9 | F763 F764 L770 T882 L885 D886 I944 I948 | F763-L767 HydrophobicContact CE1-CD2 4.39Å; F763-L767 WeakPolarHBondContact O-CB 3.47Å; F763-L767 PolarHBondContact O-N 3.19Å; F764-L767 PolarHBondContact O-N 3.4Å; L767-L770 HydrophobicContact CD1-CD1 4.48Å; L767-L770 WeakPolarHBondContact O-CB 3.27Å; L767-T882 HydrophobicContact CB-CG2 4.24Å; L767-T882 WeakPolarHBondContact CD1-O 3.15Å; L767-L885 HydrophobicContact CD1-CB 4.27Å; L767-L885 HydrophobicContact CD1-CD2 4.24Å; L767-L885 HydrophobicContact CD1-CG 4.41Å; L767-L885 HydrophobicContact CD2-CD2 3.66Å; L767-L885 HydrophobicContact CD2-CG 4.47Å; L767-D886 HydrophobicContact CD1-CB 4.26Å; L767-I944 HydrophobicContact CD2-CG2 3.81Å; L767-I948 HydrophobicContact CD1-CD1 4.35Å; L767-I948 HydrophobicContact CD2-CD1 3.56Å; L767-I948 HydrophobicContact CG-CD1 3.51Å |
| 768 | L | 89.9 | Confident | 89.5 | Confident | 54 Ų | 54 | 72 Ų | 72 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 177.3 | -74.6 | 167.5 | 0 | 0 | 0 | 113 | F764 I944 E947 I948 | F764-L768 PolarHBondContact O-N 3.23Å; L768-I944 HydrophobicContact CD1-CG1 4.44Å; L768-I944 HydrophobicContact CD2-CG2 4.01Å; L768-I944 HydrophobicContact CG-CG2 4.06Å; L768-E947 HydrophobicContact CD2-CG 4.39Å; L768-I948 HydrophobicContact CD2-CG1 4.23Å |
| 769 | N | 90.8 | Very high | 89.3 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 22.9 | -176.6 | -61.9 | -63.5 | 0 | 0 | 0 | 113.1 | T765 T766 D771 F772 I773 | T765-N769 WeakPolarHBondContact O-CB 3.02Å; T765-N769 PolarHBondContact O-N 3.24Å; T765-N769 PolarHBondContact O-ND2 3.27Å; T766-N769 CarbonylContact O-C 3.51Å; N769-D771 VanDerWaalsContact C-N 3.28Å; N769-D771 PolarHBondContact O-N 2.61Å; N769-F772 PolarHBondContact O-N 2.88Å; N769-F772 VanDerWaalsContact O-N 3.16Å; N769-I773 HydrophobicContact CB-CD1 4.22Å; N769-I773 HydrophobicContact CB-CG1 4.43Å; N769-I773 VanDerWaalsContact O-CG1 3.28Å; N769-I773 WeakPolarHBondContact O-CG1 3.36Å; N769-I773 PolarHBondContact O-N 2.92Å |
| 770 | L | 89.5 | Confident | 88.8 | Confident | 7 Ų | 7 | 74.6 Ų | 74.6 | 4% | 0.037 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.2 | -38.5 | -167.7 | -162.4 | 143.6 | 0 | 0 | 0 | 112.2 | T766 L767 I773 R774 D886 | T766-L770 WeakPolarHBondContact O-CA 3.4Å; T766-L770 VanDerWaalsContact O-CB 3.31Å; T766-L770 WeakPolarHBondContact O-CB 3.47Å; T766-L770 PolarHBondContact O-N 3.23Å; L767-L770 HydrophobicContact CD1-CD1 4.48Å; L767-L770 WeakPolarHBondContact O-CB 3.27Å; L770-I773 PolarHBondContact O-N 3.09Å; L770-R774 HydrophobicContact CD2-CG 4.05Å; L770-R774 WeakPolarHBondContact O-CB 3.31Å; L770-R774 WeakPolarHBondContact O-CG 3.27Å; L770-R774 PolarHBondContact O-N 3.09Å; L770-D886 HydrophobicContact CD1-CB 4.2Å |
| 771 | D | 87.9 | Confident | 88.1 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 177.3 | -70.7 | -29.9 | 0 | 0 | 0 | 112.6 | N769 I773 R774 Q775 R890 | N769-D771 VanDerWaalsContact C-N 3.28Å; N769-D771 PolarHBondContact O-N 2.61Å; D771-I773 VanDerWaalsContact C-N 3.34Å; D771-I773 PolarHBondContact O-N 3.23Å; D771-R774 PolarHBondContact O-N 2.67Å; D771-Q775 WeakPolarHBondContact O-CB 3.46Å; D771-Q775 PolarHBondContact O-N 2.84Å; D771-R890 VanDerWaalsContact CG-NH2 3.27Å; D771-R890 IonicContact OD1-CZ 3.41Å; D771-R890 IonicContact OD1-NH1 3.53Å; D771-R890 IonicContact OD1-NH2 3.1Å; D771-R890 PolarHBondContact OD1-NH2 3.13Å; D771-R890 IonicContact OD2-CZ 2.69Å; D771-R890 IonicContact OD2-NH1 3.27Å; D771-R890 IonicContact OD2-NH2 3.81Å; D771-R890 PolarHBondContact OD2-NH2 3.46Å; D771-R890 VanDerWaalsContact OD2-NH2 3.08Å |
| 772 | F | 90.9 | Very high | 87.3 | Confident | 144 Ų | 144 | 72.6 Ų | 72.6 | 63% | 0.632 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | 175.5 | -69.5 | -67.3 | 0 | 0 | 0 | 111.7 | N769 Q775 R776 | N769-F772 PolarHBondContact O-N 2.88Å; N769-F772 VanDerWaalsContact O-N 3.16Å; F772-Q775 PolarHBondContact O-N 3.24Å; F772-R776 VanDerWaalsContact O-CB 3.26Å; F772-R776 WeakPolarHBondContact O-CB 3.44Å; F772-R776 PolarHBondContact O-N 3.17Å |
| 773 | I | 89.7 | Confident | 86 | Confident | 54 Ų | 54 | 74.4 Ų | 74.4 | 28% | 0.277 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 176.4 | -66.6 | 167.5 | 0 | 0 | 0 | 109.9 | T766 N769 L770 D771 R776 N777 | T766-I773 HydrophobicContact CG2-CD1 3.91Å; N769-I773 HydrophobicContact CB-CD1 4.22Å; N769-I773 HydrophobicContact CB-CG1 4.43Å; N769-I773 VanDerWaalsContact O-CG1 3.28Å; N769-I773 WeakPolarHBondContact O-CG1 3.36Å; N769-I773 PolarHBondContact O-N 2.92Å; L770-I773 PolarHBondContact O-N 3.09Å; D771-I773 VanDerWaalsContact C-N 3.34Å; D771-I773 PolarHBondContact O-N 3.23Å; I773-R776 PolarHBondContact O-N 3.44Å; I773-N777 WeakPolarHBondContact O-CB 3.03Å; I773-N777 PolarHBondContact O-N 3.13Å; I773-N777 PolarHBondContact O-ND2 3.19Å; I773-N777 PolarHBondContact O-OD1 3.36Å |
| 774 | R | 89.6 | Confident | 84.5 | Confident | 101 Ų | 101 | 78.4 Ų | 78.4 | 38% | 0.381 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.2 | -78.7 | -176.5 | 175.1 | 158.3 | 3.9 | 111.8 | L770 D771 N777 H778 S883 D886 | L770-R774 HydrophobicContact CD2-CG 4.05Å; L770-R774 WeakPolarHBondContact O-CB 3.31Å; L770-R774 WeakPolarHBondContact O-CG 3.27Å; L770-R774 PolarHBondContact O-N 3.09Å; D771-R774 PolarHBondContact O-N 2.67Å; R774-N777 PolarHBondContact O-N 3.49Å; R774-H778 VanDerWaalsContact O-CB 3.31Å; R774-H778 WeakPolarHBondContact O-CB 3.16Å; R774-H778 PolarHBondContact O-N 3.01Å; R774-S883 VanDerWaalsContact NH2-CB 3.28Å; R774-S883 PolarHBondContact NH2-OG 2.93Å; R774-D886 IonicContact NH1-OD2 3.76Å |
| 775 | Q | 90.4 | Very high | 83 | Confident | 109 Ų | 109 | 82.8 Ų | 82.8 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 178.8 | -172.3 | -179.4 | 17 | 0 | 0 | 111.9 | D771 F772 H778 Q779 | D771-Q775 WeakPolarHBondContact O-CB 3.46Å; D771-Q775 PolarHBondContact O-N 2.84Å; F772-Q775 PolarHBondContact O-N 3.24Å; Q775-H778 PolarHBondContact O-N 2.99Å; Q775-Q779 WeakPolarHBondContact O-CG 3.48Å; Q775-Q779 PolarHBondContact O-N 3.46Å |
| 776 | R | 89.9 | Confident | 81.4 | Confident | 161 Ų | 161 | 84.9 Ų | 84.9 | 61% | 0.608 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.6 | -45.9 | 175.5 | -174.4 | -165.7 | 70.3 | 119 | 7.4 | 111.3 | F772 I773 H778 Q779 A780 | F772-R776 VanDerWaalsContact O-CB 3.26Å; F772-R776 WeakPolarHBondContact O-CB 3.44Å; F772-R776 PolarHBondContact O-N 3.17Å; I773-R776 PolarHBondContact O-N 3.44Å; R776-H778 VanDerWaalsContact C-N 3.33Å; R776-H778 PolarHBondContact O-N 3.44Å; R776-Q779 PolarHBondContact O-N 2.94Å; R776-A780 PolarHBondContact O-N 3.34Å |
| 777 | N | 88.4 | Confident | 79.7 | Confident | 82 Ų | 82 | 89.1 Ų | 89.1 | 44% | 0.439 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 178.6 | -67.6 | -6.2 | 0 | 0 | 0 | 111.3 | I773 R774 A780 G781 | I773-N777 WeakPolarHBondContact O-CB 3.03Å; I773-N777 PolarHBondContact O-N 3.13Å; I773-N777 PolarHBondContact O-ND2 3.19Å; I773-N777 PolarHBondContact O-OD1 3.36Å; R774-N777 PolarHBondContact O-N 3.49Å; N777-A780 PolarHBondContact O-N 3.47Å; N777-G781 PolarHBondContact O-N 3.25Å |
| 778 | H | 85 | Confident | 77.6 | Confident | 113 Ų | 113 | 92.4 Ų | 92.4 | 52% | 0.523 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 175.2 | 177.5 | -106 | 0 | 0 | 0 | 112.6 | R774 Q775 R776 G781 K782 | R774-H778 VanDerWaalsContact O-CB 3.31Å; R774-H778 WeakPolarHBondContact O-CB 3.16Å; R774-H778 PolarHBondContact O-N 3.01Å; Q775-H778 PolarHBondContact O-N 2.99Å; R776-H778 VanDerWaalsContact C-N 3.33Å; R776-H778 PolarHBondContact O-N 3.44Å; H778-G781 PolarHBondContact O-N 3.37Å; H778-K782 WeakPolarHBondContact CE1-CE 3.39Å; H778-K782 PolarHBondContact CE1-NZ 3.15Å; H778-K782 PolarHBondContact O-N 2.79Å |
| 779 | Q | 84 | Confident | 75.3 | Confident | 107 Ų | 107 | 94.3 Ų | 94.3 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 173.9 | -74.3 | 176.7 | -7.8 | 0 | 0 | 112.2 | Q775 R776 G781 K782 L783 | Q775-Q779 WeakPolarHBondContact O-CG 3.48Å; Q775-Q779 PolarHBondContact O-N 3.46Å; R776-Q779 PolarHBondContact O-N 2.94Å; Q779-G781 VanDerWaalsContact C-N 3.34Å; Q779-G781 PolarHBondContact O-N 3.49Å; Q779-K782 PolarHBondContact O-N 2.76Å; Q779-L783 WeakPolarHBondContact O-CG 3.46Å; Q779-L783 PolarHBondContact O-N 2.69Å |
| 780 | A | 78 | Confident | 73.2 | Confident | 48 Ų | 48 | 94.1 Ų | 94.1 | 40% | 0.397 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R776 N777 L783 L784 | R776-A780 PolarHBondContact O-N 3.34Å; N777-A780 PolarHBondContact O-N 3.47Å; A780-L783 PolarHBondContact O-N 2.93Å; A780-L784 PolarHBondContact O-N 2.91Å; A780-L784 VanDerWaalsContact O-N 3.08Å |
| 781 | G | 75.4 | Confident | 71.3 | Confident | 28 Ų | 28 | 102 Ų | 102 | 29% | 0.289 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N777 H778 Q779 L783 L784 N785 | N777-G781 PolarHBondContact O-N 3.25Å; H778-G781 PolarHBondContact O-N 3.37Å; Q779-G781 VanDerWaalsContact C-N 3.34Å; Q779-G781 PolarHBondContact O-N 3.49Å; G781-L783 PolarHBondContact O-N 2.83Å; G781-L784 PolarHBondContact O-N 2.96Å; G781-N785 PolarHBondContact O-N 2.89Å |
| 782 | K | 72.3 | Confident | 69.5 | Low | 113 Ų | 113 | 101.7 Ų | 101.7 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 173.9 | -77.9 | -176 | 170.6 | -177.9 | 0 | 112.7 | H778 Q779 N785 N786 | H778-K782 WeakPolarHBondContact CE1-CE 3.39Å; H778-K782 PolarHBondContact CE1-NZ 3.15Å; H778-K782 PolarHBondContact O-N 2.79Å; Q779-K782 PolarHBondContact O-N 2.76Å; K782-N785 PolarHBondContact O-N 3.48Å; K782-N786 VanDerWaalsContact O-CB 3.27Å; K782-N786 WeakPolarHBondContact O-CB 3.46Å; K782-N786 PolarHBondContact O-N 2.84Å; K782-N786 PolarHBondContact O-ND2 2.88Å; K782-N786 PolarHBondContact O-OD1 2.74Å |
| 783 | L | 62 | Low | 67.6 | Low | 108 Ų | 108 | 98 Ų | 98 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.7 | -38.8 | 177.2 | -72.7 | 167.4 | 0 | 0 | 0 | 112 | Q779 A780 G781 N786 N787 | Q779-L783 WeakPolarHBondContact O-CG 3.46Å; Q779-L783 PolarHBondContact O-N 2.69Å; A780-L783 PolarHBondContact O-N 2.93Å; G781-L783 PolarHBondContact O-N 2.83Å; L783-N786 PolarHBondContact O-N 3.16Å; L783-N787 WeakPolarHBondContact O-CB 3.46Å; L783-N787 PolarHBondContact O-N 3.19Å; L783-N787 PolarHBondContact O-ND2 2.86Å |
| 784 | L | 59.9 | Low | 65.7 | Low | 121 Ų | 121 | 98.1 Ų | 98.1 | 63% | 0.634 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.2 | -45.6 | 173.4 | -77.4 | 155 | 0 | 0 | 0 | 111.3 | A780 G781 N786 N787 T788 | A780-L784 PolarHBondContact O-N 2.91Å; A780-L784 VanDerWaalsContact O-N 3.08Å; G781-L784 PolarHBondContact O-N 2.96Å; L784-N786 PolarHBondContact O-N 2.9Å; L784-N787 PolarHBondContact O-N 3.3Å; L784-T788 PolarHBondContact O-N 3.18Å |
| 785 | N | 58.5 | Low | 63.9 | Low | 111 Ų | 111 | 100 Ų | 100 | 59% | 0.594 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.5 | -31 | 179.7 | -67.5 | -6.5 | 0 | 0 | 0 | 113.1 | G781 K782 T788 | G781-N785 PolarHBondContact O-N 2.89Å; K782-N785 PolarHBondContact O-N 3.48Å; N785-T788 PolarHBondContact O-OG1 3.42Å |
| 786 | N | 56.6 | Low | 62.1 | Low | 122 Ų | 122 | 100.2 Ų | 100.2 | 65% | 0.652 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -78.7 | -24.8 | 177.5 | -70.9 | -9.6 | 0 | 0 | 0 | 112.9 | K782 L783 L784 T788 | K782-N786 VanDerWaalsContact O-CB 3.27Å; K782-N786 WeakPolarHBondContact O-CB 3.46Å; K782-N786 PolarHBondContact O-N 2.84Å; K782-N786 PolarHBondContact O-ND2 2.88Å; K782-N786 PolarHBondContact O-OD1 2.74Å; L783-N786 PolarHBondContact O-N 3.16Å; L784-N786 PolarHBondContact O-N 2.9Å; N786-T788 VanDerWaalsContact C-N 3.35Å |
| 787 | N | 54.3 | Low | 60.5 | Low | 137 Ų | 137 | 97.8 Ų | 97.8 | 73% | 0.733 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -79.9 | -18.8 | 175.8 | -72.2 | -14.7 | 0 | 0 | 0 | 112.6 | L783 L784 A789 | L783-N787 WeakPolarHBondContact O-CB 3.46Å; L783-N787 PolarHBondContact O-N 3.19Å; L783-N787 PolarHBondContact O-ND2 2.86Å; L784-N787 PolarHBondContact O-N 3.3Å; N787-A789 VanDerWaalsContact C-N 3.3Å; N787-A789 PolarHBondContact O-N 3.04Å |
| 788 | T | 47.2 | Very low | 59.2 | Low | 73 Ų | 73 | 102 Ų | 102 | 45% | 0.448 | 56% | 0.564 | S | S | . | * | trans | -85.6 | 76.3 | 164.1 | 51 | 0 | 0 | 0 | 0 | 109.6 | L784 N785 N786 T790 | L784-T788 PolarHBondContact O-N 3.18Å; N785-T788 PolarHBondContact O-OG1 3.42Å; N786-T788 VanDerWaalsContact C-N 3.35Å; T788-T790 PolarHBondContact O-N 2.66Å | ||
| 789 | A | 41.3 | Very low | 58.3 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 78% | 0.777 | 57% | 0.574 | S | S | * | * | trans | -65.9 | 75 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | N787 | N787-A789 VanDerWaalsContact C-N 3.3Å; N787-A789 PolarHBondContact O-N 3.04Å | ||
| 790 | T | 45.3 | Very low | 57.5 | Low | 71 Ų | 71 | 102.5 Ų | 102.5 | 44% | 0.436 | 57% | 0.573 | S | S | . | * | trans | -137.5 | 110.7 | 169.1 | 55.1 | 0 | 0 | 0 | 0 | 108.2 | T788 S792 V793 | T788-T790 PolarHBondContact O-N 2.66Å; T790-S792 WeakPolarHBondContact CB-OG 3.31Å; T790-S792 PolarHBondContact O-N 3.18Å; T790-S792 PolarHBondContact OG1-OG 3.35Å; T790-V793 PolarHBondContact O-N 3.36Å; T790-V793 VanDerWaalsContact O-N 3.11Å | ||
| 791 | H | 50 | Low | 57.4 | Low | 174 Ų | 174 | 103.9 Ų | 103.9 | 81% | 0.806 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -48.4 | -18.3 | 171.3 | -81.5 | -87.3 | 0 | 0 | 0 | 113.5 | V793 A794 E795 | H791-V793 PolarHBondContact O-N 3.34Å; H791-A794 PolarHBondContact O-N 3.32Å; H791-E795 PolarHBondContact O-N 3.45Å |
| 792 | S | 51.5 | Low | 57.4 | Low | 64 Ų | 64 | 111.4 Ų | 111.4 | 45% | 0.448 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.2 | -26.4 | 176.7 | 58.1 | 0 | 0 | 0 | 0 | 115.6 | T790 N796 | T790-S792 WeakPolarHBondContact CB-OG 3.31Å; T790-S792 PolarHBondContact O-N 3.18Å; T790-S792 PolarHBondContact OG1-OG 3.35Å; S792-N796 PolarHBondContact O-N 3.24Å; S792-N796 PolarHBondContact O-ND2 3.26Å |
| 793 | V | 50.9 | Low | 57.7 | Low | 66 Ų | 66 | 114.2 Ų | 114.2 | 40% | 0.4 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -77.8 | -32.2 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | T790 H791 N796 L797 | T790-V793 PolarHBondContact O-N 3.36Å; T790-V793 VanDerWaalsContact O-N 3.11Å; H791-V793 PolarHBondContact O-N 3.34Å; V793-N796 PolarHBondContact O-N 3.13Å; V793-L797 HydrophobicContact CG1-CD1 4.26Å; V793-L797 VanDerWaalsContact O-CG 3.3Å; V793-L797 WeakPolarHBondContact O-CG 3.19Å; V793-L797 PolarHBondContact O-N 3.4Å |
| 794 | A | 49.6 | Very low | 58.1 | Low | 58 Ų | 58 | 113.4 Ų | 113.4 | 48% | 0.479 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.9 | -34.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H791 L797 M798 | H791-A794 PolarHBondContact O-N 3.32Å; A794-L797 PolarHBondContact O-N 2.61Å; A794-M798 PolarHBondContact O-N 2.65Å |
| 795 | E | 50.3 | Low | 58.3 | Low | 140 Ų | 140 | 111.3 Ų | 111.3 | 65% | 0.654 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.5 | -36.4 | 173.9 | -71.1 | -179.1 | 165.1 | 0 | 0 | 112.1 | H791 L797 M798 | H791-E795 PolarHBondContact O-N 3.45Å; E795-L797 VanDerWaalsContact C-N 3.34Å; E795-M798 PolarHBondContact O-N 3.04Å |
| 796 | N | 53.3 | Low | 58.3 | Low | 114 Ų | 114 | 110 Ų | 110 | 61% | 0.61 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.4 | -27.5 | 173.8 | -75.3 | -21.1 | 0 | 0 | 0 | 113.1 | S792 V793 M798 N799 | S792-N796 PolarHBondContact O-N 3.24Å; S792-N796 PolarHBondContact O-ND2 3.26Å; V793-N796 PolarHBondContact O-N 3.13Å; N796-M798 VanDerWaalsContact C-N 3.31Å; N796-M798 PolarHBondContact O-N 3.18Å; N796-N799 PolarHBondContact O-N 3.04Å |
| 797 | L | 56.3 | Low | 58.4 | Low | 110 Ų | 110 | 106.9 Ų | 106.9 | 58% | 0.576 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.2 | -30.7 | 174.8 | -79.9 | 161.9 | 0 | 0 | 0 | 112.6 | V793 A794 E795 N799 L800 | V793-L797 HydrophobicContact CG1-CD1 4.26Å; V793-L797 VanDerWaalsContact O-CG 3.3Å; V793-L797 WeakPolarHBondContact O-CG 3.19Å; V793-L797 PolarHBondContact O-N 3.4Å; A794-L797 PolarHBondContact O-N 2.61Å; E795-L797 VanDerWaalsContact C-N 3.34Å; L797-N799 VanDerWaalsContact C-N 3.33Å; L797-L800 HydrophobicContact CD2-CD1 3.78Å |
| 798 | M | 60.5 | Low | 58.5 | Low | 171 Ų | 171 | 105.1 Ų | 105.1 | 84% | 0.842 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -75.1 | -21.1 | 177 | -73.2 | -140.6 | 170.4 | 0 | 0 | 113.7 | A794 E795 N796 | A794-M798 PolarHBondContact O-N 2.65Å; E795-M798 PolarHBondContact O-N 3.04Å; N796-M798 VanDerWaalsContact C-N 3.31Å; N796-M798 PolarHBondContact O-N 3.18Å |
| 799 | N | 66.5 | Low | 58.9 | Low | 135 Ų | 135 | 104.6 Ų | 104.6 | 72% | 0.722 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 5.6 | -178.4 | -72.9 | -21.9 | 0 | 0 | 0 | 113.9 | N796 L797 | N796-N799 PolarHBondContact O-N 3.04Å; L797-N799 VanDerWaalsContact C-N 3.33Å |
| 800 | L | 68.2 | Low | 59.3 | Low | 94 Ų | 94 | 108.2 Ų | 108.2 | 49% | 0.492 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -66.2 | 132.2 | 176 | -85.1 | 150.1 | 0 | 0 | 0 | 110.4 | L797 F802 L804 | L797-L800 HydrophobicContact CD2-CD1 3.78Å; L800-F802 PolarHBondContact O-N 3.04Å; L800-L804 HydrophobicContact CD2-CD2 3.94Å |
| 801 | P | 75.5 | Confident | 59.6 | Low | 77 Ų | 77 | 114.1 Ų | 114.1 | 50% | 0.5 | 60% | 0.597 | S | S | . | * | trans | -62.1 | 132.5 | 174.7 | 26.3 | -32.7 | 0 | 0 | 0 | 109.3 | F803 L804 | P801-F803 PolarHBondContact O-N 3.3Å; P801-F803 VanDerWaalsContact O-N 3.11Å; P801-L804 HydrophobicContact CG-CD2 4.32Å | ||
| 802 | F | 75.8 | Confident | 59.9 | Low | 187 Ų | 187 | 107.5 Ų | 107.5 | 82% | 0.82 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -54.4 | -32.5 | 177.5 | -178.1 | -93.3 | 0 | 0 | 0 | 112.4 | L800 | L800-F802 PolarHBondContact O-N 3.04Š|
| 803 | F | 77.7 | Confident | 60.1 | Low | 172 Ų | 172 | 110 Ų | 110 | 75% | 0.754 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -106.3 | 92.5 | 173.1 | -59 | -70 | 0 | 0 | 0 | 110.3 | P801 | P801-F803 PolarHBondContact O-N 3.3Å; P801-F803 VanDerWaalsContact O-N 3.11Å |
| 804 | L | 69.8 | Low | 60.1 | Low | 90 Ų | 90 | 109.1 Ų | 109.1 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | trans | -61.9 | 142.7 | 170.5 | -73.3 | 166 | 0 | 0 | 0 | 110.4 | L800 P801 V806 | L800-L804 HydrophobicContact CD2-CD2 3.94Å; P801-L804 HydrophobicContact CG-CD2 4.32Å; L804-V806 WeakPolarHBondContact O-CG2 3.35Å; L804-V806 PolarHBondContact O-N 3.28Å | ||
| 805 | P | 64.9 | Low | 60.1 | Low | 78 Ų | 78 | 109 Ų | 109 | 51% | 0.506 | 57% | 0.574 | S | S | . | * | trans | -66.8 | 118.7 | 174.9 | 26.8 | -31.8 | 0 | 0 | 0 | 110.1 | A816 | P805-A816 HydrophobicContact CB-CB 4.36Å; P805-A816 HydrophobicContact CG-CB 4.32Å; P805-A816 PolarHBondContact O-N 2.91Å; P805-A816 VanDerWaalsContact O-N 3.17Å | ||
| 806 | V | 59.4 | Low | 60.1 | Low | 83 Ų | 83 | 104 Ų | 104 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111 | 134.2 | -177.4 | -155.2 | 0 | 0 | 0 | 0 | 110.8 | L804 L813 V814 | L804-V806 WeakPolarHBondContact O-CG2 3.35Å; L804-V806 PolarHBondContact O-N 3.28Å; V806-L813 HydrophobicContact CB-CD2 3.89Å; V806-L813 HydrophobicContact CG1-CB 3.64Å; V806-L813 HydrophobicContact CG1-CD2 3.35Å; V806-L813 HydrophobicContact CG1-CG 4.09Å; V806-V814 WeakPolarHBondContact CG1-O 3.47Å |
| 807 | V | 58.3 | Low | 59.8 | Low | 56 Ų | 56 | 103.2 Ų | 103.2 | 34% | 0.339 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.2 | 172 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | V814 A816 | V807-V814 PolarHBondContact N-O 3.2Å; V807-V814 PolarHBondContact O-N 3.22Å; V807-A816 HydrophobicContact CG2-CB 4.05Å |
| 808 | E | 55.8 | Low | 59.3 | Low | 100 Ų | 100 | 103.7 Ų | 103.7 | 47% | 0.467 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.4 | 120.3 | 172.2 | -62.8 | -160.4 | 135.7 | 0 | 0 | 110.5 | L813 R839 | E808-L813 HydrophobicContact CG-CD2 3.61Å; E808-L813 HydrophobicContact CG-CG 4.21Å; E808-R839 IonicContact OE1-CZ 3.06Å; E808-R839 IonicContact OE1-NH1 2.97Å; E808-R839 PolarHBondContact OE1-NH1 3.4Å; E808-R839 IonicContact OE1-NH2 3.44Å; E808-R839 PolarHBondContact OE1-NH2 2.53Å; E808-R839 IonicContact OE2-CZ 2.76Å; E808-R839 IonicContact OE2-NE 3.09Å; E808-R839 IonicContact OE2-NH1 2.91Å; E808-R839 PolarHBondContact OE2-NH1 3.47Å; E808-R839 IonicContact OE2-NH2 3.81Å; E808-R839 PolarHBondContact OE2-NH2 2.94Å; E808-R839 VanDerWaalsContact OE2-NH2 3.09Å |
| 809 | T | 56.2 | Low | 58.5 | Low | 62 Ų | 62 | 102.2 Ų | 102.2 | 38% | 0.38 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.2 | 164 | 169 | 68.6 | 0 | 0 | 0 | 0 | 109.3 | K811 G812 V814 | T809-K811 PolarHBondContact O-N 3.18Å; T809-K811 PolarHBondContact OG1-N 3.19Å; T809-G812 PolarHBondContact N-O 3.03Å; T809-G812 PolarHBondContact O-N 3.29Å; T809-G812 PolarHBondContact OG1-O 2.77Å; T809-V814 HydrophobicContact CG2-CB 4.45Å; T809-V814 HydrophobicContact CG2-CG2 4.11Å |
| 810 | N | 49.9 | Very low | 56.9 | Low | 171 Ų | 171 | 104.2 Ų | 104.2 | 91% | 0.914 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -9.1 | 172.6 | -63.9 | -6.1 | 0 | 0 | 0 | 113.4 | ||
| 811 | K | 51.6 | Low | 55.2 | Low | 194 Ų | 194 | 102.6 Ų | 102.6 | 84% | 0.843 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -2 | 177.6 | -62.3 | -179.3 | 179.4 | 176.9 | 0 | 113.4 | T809 | T809-K811 PolarHBondContact O-N 3.18Å; T809-K811 PolarHBondContact OG1-N 3.19Å |
| 812 | G | 55.5 | Low | 53.2 | Low | 36 Ų | 36 | 106.3 Ų | 106.3 | 37% | 0.371 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 123.5 | -175.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T809 V814 | T809-G812 PolarHBondContact N-O 3.03Å; T809-G812 PolarHBondContact O-N 3.29Å; T809-G812 PolarHBondContact OG1-O 2.77Å; G812-V814 PolarHBondContact O-N 3.24Å |
| 813 | L | 55.7 | Low | 51 | Low | 115 Ų | 115 | 101.5 Ų | 101.5 | 60% | 0.602 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74 | 114 | 175.2 | -82.8 | 154.1 | 0 | 0 | 0 | 109.8 | V806 E808 | V806-L813 HydrophobicContact CB-CD2 3.89Å; V806-L813 HydrophobicContact CG1-CB 3.64Å; V806-L813 HydrophobicContact CG1-CD2 3.35Å; V806-L813 HydrophobicContact CG1-CG 4.09Å; E808-L813 HydrophobicContact CG-CD2 3.61Å; E808-L813 HydrophobicContact CG-CG 4.21Å |
| 814 | V | 51.8 | Low | 49 | Very low | 49 Ų | 49 | 98.8 Ų | 98.8 | 30% | 0.297 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.7 | -179.8 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | V806 V807 T809 G812 | V806-V814 WeakPolarHBondContact CG1-O 3.47Å; V807-V814 PolarHBondContact N-O 3.2Å; V807-V814 PolarHBondContact O-N 3.22Å; T809-V814 HydrophobicContact CG2-CB 4.45Å; T809-V814 HydrophobicContact CG2-CG2 4.11Å; G812-V814 PolarHBondContact O-N 3.24Å |
| 815 | S | 48.6 | Very low | 47.5 | Very low | 54 Ų | 54 | 98 Ų | 98 | 38% | 0.378 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -61.2 | 136.5 | 172.5 | 32.1 | 0 | 0 | 0 | 0 | 110.6 | D817 D818 | S815-D817 PolarHBondContact O-N 2.88Å; S815-D818 PolarHBondContact OG-OD2 3.5Å |
| 816 | A | 50.4 | Low | 46.4 | Very low | 37 Ų | 37 | 99.5 Ų | 99.5 | 31% | 0.306 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | -9.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | P805 V807 | P805-A816 HydrophobicContact CB-CB 4.36Å; P805-A816 HydrophobicContact CG-CB 4.32Å; P805-A816 PolarHBondContact O-N 2.91Å; P805-A816 VanDerWaalsContact O-N 3.17Å; V807-A816 HydrophobicContact CG2-CB 4.05Å |
| 817 | D | 48.4 | Very low | 45.6 | Very low | 96 Ų | 96 | 103.3 Ų | 103.3 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | -11.9 | -169.3 | -62.9 | -21.2 | 0 | 0 | 0 | 115.4 | S815 D819 F820 | S815-D817 PolarHBondContact O-N 2.88Å; D817-D819 PolarHBondContact O-N 2.92Å; D817-F820 HydrophobicContact CB-CD2 4.49Å; D817-F820 HydrophobicContact CB-CE2 4.41Å; D817-F820 WeakPolarHBondContact O-CD2 3.38Å |
| 818 | D | 45.7 | Very low | 44.8 | Very low | 120 Ų | 120 | 105.5 Ų | 105.5 | 64% | 0.642 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -6 | -171.8 | -72.3 | -33.4 | 0 | 0 | 0 | 115.2 | S815 | S815-D818 PolarHBondContact OG-OD2 3.5Š|
| 819 | D | 42.1 | Very low | 44.2 | Very low | 141 Ų | 141 | 107.9 Ų | 107.9 | 75% | 0.754 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 18.8 | -175.5 | -77.5 | -27.1 | 0 | 0 | 0 | 114.6 | D817 G821 | D817-D819 PolarHBondContact O-N 2.92Å; D819-G821 VanDerWaalsContact C-N 3.25Å; D819-G821 PolarHBondContact O-N 3.24Å |
| 820 | F | 34.4 | Very low | 43.6 | Very low | 176 Ų | 176 | 112.4 Ų | 112.4 | 77% | 0.772 | 62% | 0.623 | S | S | * | * | trans | -75.9 | 71.3 | 179.5 | -76.7 | -70.3 | 0 | 0 | 0 | 113.3 | D817 | D817-F820 HydrophobicContact CB-CD2 4.49Å; D817-F820 HydrophobicContact CB-CE2 4.41Å; D817-F820 WeakPolarHBondContact O-CD2 3.38Å | ||
| 821 | G | 32.9 | Very low | 43.4 | Very low | 60 Ų | 60 | 108.9 Ų | 108.9 | 62% | 0.619 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -152.3 | 32.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | D819 | D819-G821 VanDerWaalsContact C-N 3.25Å; D819-G821 PolarHBondContact O-N 3.24Å |
| 822 | N | 33.5 | Very low | 43 | Very low | 155 Ų | 155 | 103.5 Ų | 103.5 | 83% | 0.829 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -178.3 | 137.8 | 155.1 | -93.9 | -29.9 | 0 | 0 | 0 | 110.6 | L824 | N822-L824 PolarHBondContact O-N 2.95Å; N822-L824 VanDerWaalsContact O-N 3.12Å |
| 823 | G | 29.6 | Very low | 42.6 | Very low | 86 Ų | 86 | 109.2 Ų | 109.2 | 89% | 0.887 | 60% | 0.599 | S | S | * | * | trans | -53.5 | 111.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 824 | L | 34 | Very low | 42.1 | Very low | 115 Ų | 115 | 108 Ų | 108 | 60% | 0.602 | 60% | 0.596 | S | S | * | * | trans | -88.8 | 111 | 174.7 | -99.6 | 161.3 | 0 | 0 | 0 | 111.4 | N822 Q828 | N822-L824 PolarHBondContact O-N 2.95Å; N822-L824 VanDerWaalsContact O-N 3.12Å; L824-Q828 VanDerWaalsContact CD1-OE1 3.29Å; L824-Q828 HydrophobicContact CD2-CB 4.32Å; L824-Q828 HydrophobicContact CD2-CG 3.89Å | ||
| 825 | S | 39.7 | Very low | 41.9 | Very low | 75 Ų | 75 | 109.1 Ų | 109.1 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | trans | -55.5 | 151.1 | 172.1 | 66.4 | 0 | 0 | 0 | 0 | 112.7 | K827 Q828 | S825-K827 PolarHBondContact O-N 3.32Å; S825-Q828 PolarHBondContact O-N 3.32Å | ||
| 826 | T | 40 | Very low | 41.8 | Very low | 108 Ų | 108 | 111.7 Ų | 111.7 | 66% | 0.663 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.6 | -9.3 | 177.3 | 41 | 0 | 0 | 0 | 0 | 116.9 | ||
| 827 | K | 43.5 | Very low | 41.5 | Very low | 164 Ų | 164 | 120 Ų | 120 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71 | -34.3 | 179.8 | -79.3 | -178 | 174.9 | 177.8 | 0 | 114.4 | S825 F830 | S825-K827 PolarHBondContact O-N 3.32Å; K827-F830 PolarHBondContact O-N 3.28Å |
| 828 | Q | 42.4 | Very low | 41.6 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 47% | 0.472 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -76.7 | -26.8 | -177.1 | -79 | -172.7 | -3.4 | 0 | 0 | 113.6 | L824 S825 F830 I831 N832 | L824-Q828 VanDerWaalsContact CD1-OE1 3.29Å; L824-Q828 HydrophobicContact CD2-CB 4.32Å; L824-Q828 HydrophobicContact CD2-CG 3.89Å; S825-Q828 PolarHBondContact O-N 3.32Å; Q828-F830 PolarHBondContact O-N 3.41Å; Q828-I831 PolarHBondContact O-N 2.99Å; Q828-N832 PolarHBondContact O-N 3.18Å |
| 829 | Q | 41.4 | Very low | 41.5 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63 | -25.8 | 173.1 | -73.8 | -176.5 | -10.3 | 0 | 0 | 113.2 | ||
| 830 | F | 44.2 | Very low | 41.7 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 68% | 0.684 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -77.4 | -33.1 | 175.8 | -87.1 | -84.2 | 0 | 0 | 0 | 113.3 | K827 Q828 K833 | K827-F830 PolarHBondContact O-N 3.28Å; Q828-F830 PolarHBondContact O-N 3.41Å; F830-K833 PolarHBondContact O-N 2.96Å |
| 831 | I | 45.9 | Very low | 42.3 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.2 | -41.4 | -179.6 | -61.8 | 174 | 0 | 0 | 0 | 110.2 | Q828 K833 T834 T835 | Q828-I831 PolarHBondContact O-N 2.99Å; I831-K833 VanDerWaalsContact C-N 3.28Å; I831-K833 PolarHBondContact O-N 3.11Å; I831-T834 PolarHBondContact O-N 3.14Å; I831-T834 PolarHBondContact O-OG1 3.06Å; I831-T835 PolarHBondContact O-N 3.25Å |
| 832 | N | 44.1 | Very low | 43.1 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 43% | 0.433 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.1 | -24.5 | -178 | -66.4 | -8.2 | 0 | 0 | 0 | 114.2 | Q828 T834 T835 | Q828-N832 PolarHBondContact O-N 3.18Å; N832-T834 VanDerWaalsContact C-N 3.31Å; N832-T835 PolarHBondContact O-OG1 3.39Å |
| 833 | K | 45.9 | Very low | 43.7 | Very low | 157 Ų | 157 | 120.1 Ų | 120.1 | 68% | 0.683 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.4 | -24.4 | 173.1 | -80.5 | -178.9 | 176.7 | 174.5 | 0 | 112.9 | F830 I831 | F830-K833 PolarHBondContact O-N 2.96Å; I831-K833 VanDerWaalsContact C-N 3.28Å; I831-K833 PolarHBondContact O-N 3.11Å |
| 834 | T | 46 | Very low | 44.6 | Very low | 88 Ų | 88 | 123 Ų | 123 | 54% | 0.54 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -86.7 | -34.1 | -177.2 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | I831 N832 | I831-T834 PolarHBondContact O-N 3.14Å; I831-T834 PolarHBondContact O-OG1 3.06Å; N832-T834 VanDerWaalsContact C-N 3.31Å |
| 835 | T | 47.7 | Very low | 45.5 | Very low | 73 Ų | 73 | 125.7 Ų | 125.7 | 45% | 0.448 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.8 | -42.3 | 178 | 51.6 | 0 | 0 | 0 | 0 | 112 | I831 N832 R837 K838 R839 | I831-T835 PolarHBondContact O-N 3.25Å; N832-T835 PolarHBondContact O-OG1 3.39Å; T835-R837 VanDerWaalsContact C-N 3.29Å; T835-R837 PolarHBondContact O-N 3.28Å; T835-K838 PolarHBondContact O-N 3.49Å; T835-K838 VanDerWaalsContact O-N 3.11Å; T835-R839 PolarHBondContact O-N 3.12Å |
| 836 | N | 45.3 | Very low | 45.8 | Very low | 109 Ų | 109 | 127 Ų | 127 | 58% | 0.583 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.2 | -27.5 | 177.5 | -78.7 | -22.5 | 0 | 0 | 0 | 113.8 | ||
| 837 | R | 45.8 | Very low | 46.1 | Very low | 211 Ų | 211 | 129.5 Ų | 129.5 | 80% | 0.796 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.3 | -30.9 | 173.4 | -83.3 | -175.7 | 172.1 | -177.6 | -2.1 | 113 | T835 | T835-R837 VanDerWaalsContact C-N 3.29Å; T835-R837 PolarHBondContact O-N 3.28Å |
| 838 | K | 49 | Very low | 46.4 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.4 | -35.3 | 176.9 | -73.8 | -174.5 | 176.5 | -178.3 | 0 | 112.3 | T835 G841 L842 | T835-K838 PolarHBondContact O-N 3.49Å; T835-K838 VanDerWaalsContact O-N 3.11Å; K838-G841 PolarHBondContact O-N 3.48Å; K838-L842 PolarHBondContact O-N 3.1Å |
| 839 | R | 45.1 | Very low | 46.9 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 48% | 0.475 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.1 | -37.2 | 178 | -88.2 | -172.6 | 156.7 | 177.4 | -3.2 | 114.2 | E808 T835 G841 L842 L843 | E808-R839 IonicContact OE1-CZ 3.06Å; E808-R839 IonicContact OE1-NH1 2.97Å; E808-R839 PolarHBondContact OE1-NH1 3.4Å; E808-R839 IonicContact OE1-NH2 3.44Å; E808-R839 PolarHBondContact OE1-NH2 2.53Å; E808-R839 IonicContact OE2-CZ 2.76Å; E808-R839 IonicContact OE2-NE 3.09Å; E808-R839 IonicContact OE2-NH1 2.91Å; E808-R839 PolarHBondContact OE2-NH1 3.47Å; E808-R839 IonicContact OE2-NH2 3.81Å; E808-R839 PolarHBondContact OE2-NH2 2.94Å; E808-R839 VanDerWaalsContact OE2-NH2 3.09Å; T835-R839 PolarHBondContact O-N 3.12Å; R839-G841 PolarHBondContact O-N 3.23Å; R839-L842 PolarHBondContact O-N 3.11Å; R839-L842 VanDerWaalsContact O-N 3.09Å; R839-L843 PolarHBondContact O-N 3.27Å |
| 840 | R | 44.6 | Very low | 47.1 | Very low | 209 Ų | 209 | 123.2 Ų | 123.2 | 79% | 0.789 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.6 | -27.4 | 175.5 | -114.4 | -178.5 | 178.2 | 177.8 | -0.4 | 113.2 | ||
| 841 | G | 48.3 | Very low | 47.8 | Very low | 50 Ų | 50 | 121.6 Ų | 121.6 | 52% | 0.515 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | -13.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K838 R839 | K838-G841 PolarHBondContact O-N 3.48Å; R839-G841 PolarHBondContact O-N 3.23Å |
| 842 | L | 49.5 | Very low | 48.6 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 59% | 0.592 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -30 | 179.3 | -131.7 | 90.1 | 0 | 0 | 0 | 112.4 | K838 R839 D844 K845 | K838-L842 PolarHBondContact O-N 3.1Å; R839-L842 PolarHBondContact O-N 3.11Å; R839-L842 VanDerWaalsContact O-N 3.09Å; L842-D844 PolarHBondContact O-N 2.9Å; L842-K845 PolarHBondContact O-N 3.38Å |
| 843 | L | 45.8 | Very low | 49.5 | Very low | 82 Ų | 82 | 117.3 Ų | 117.3 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.2 | -19.3 | 178.6 | -75.5 | 159 | 0 | 0 | 0 | 113.6 | R839 F847 A850 | R839-L843 PolarHBondContact O-N 3.27Å; L843-F847 WeakPolarHBondContact O-CD2 3.34Å; L843-A850 HydrophobicContact CD2-CB 4.44Å |
| 844 | D | 49.3 | Very low | 50.7 | Low | 146 Ų | 146 | 111.2 Ų | 111.2 | 78% | 0.781 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -4.7 | -177.9 | -92.3 | -9.7 | 0 | 0 | 0 | 114.5 | L842 | L842-D844 PolarHBondContact O-N 2.9Š|
| 845 | K | 51.8 | Low | 51.9 | Low | 171 Ų | 171 | 113.8 Ų | 113.8 | 74% | 0.743 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | -34.4 | -171.2 | -70.5 | -170.2 | 175.8 | -176 | 0 | 116.7 | L842 | L842-K845 PolarHBondContact O-N 3.38Š|
| 846 | D | 47.4 | Very low | 53.3 | Low | 102 Ų | 102 | 111.2 Ų | 111.2 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | trans | -146.9 | 81.9 | -175.3 | -63.9 | -55.5 | 0 | 0 | 0 | 111 | E848 H849 A850 | D846-E848 PolarHBondContact O-N 2.92Å; D846-H849 PolarHBondContact O-N 2.84Å; D846-A850 PolarHBondContact O-N 3.25Å | ||
| 847 | F | 46.4 | Very low | 55 | Low | 162 Ų | 162 | 106.2 Ų | 106.2 | 71% | 0.711 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.9 | -176.9 | -119.4 | -92.7 | 0 | 0 | 0 | 113.1 | L843 | L843-F847 WeakPolarHBondContact O-CD2 3.34Š|
| 848 | E | 49.7 | Very low | 56.6 | Low | 149 Ų | 149 | 96.5 Ų | 96.5 | 70% | 0.696 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -23.6 | -177 | -70.7 | -173.2 | 158.6 | 0 | 0 | 113.9 | D846 | D846-E848 PolarHBondContact O-N 2.92Š|
| 849 | H | 51 | Low | 58 | Low | 79 Ų | 79 | 91.4 Ų | 91.4 | 37% | 0.366 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -11.6 | -177.6 | -61.5 | -48.5 | 0 | 0 | 0 | 113.6 | D846 V851 | D846-H849 PolarHBondContact O-N 2.84Å; H849-V851 PolarHBondContact O-N 3.45Å |
| 850 | A | 47.4 | Very low | 59.8 | Low | 56 Ų | 56 | 91.5 Ų | 91.5 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L843 D846 | L843-A850 HydrophobicContact CD2-CB 4.44Å; D846-A850 PolarHBondContact O-N 3.25Å |
| 851 | V | 57.6 | Low | 61.7 | Low | 122 Ų | 122 | 81.7 Ų | 81.7 | 74% | 0.739 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 4.7 | -173.5 | -166.4 | 0 | 0 | 0 | 0 | 112.6 | H849 | H849-V851 PolarHBondContact O-N 3.45Š|
| 852 | E | 62.7 | Low | 63.3 | Low | 27 Ų | 27 | 82 Ų | 82 | 13% | 0.126 | 42% | 0.417 | C | S | . | . | trans | -73.3 | 131 | 176 | -60.4 | -165.2 | 155.2 | 0 | 0 | 111.3 | I854 G856 S858 K921 | E852-I854 VanDerWaalsContact C-N 3.29Å; E852-I854 PolarHBondContact O-N 3.13Å; E852-G856 PolarHBondContact OE2-N 3.17Å; E852-S858 WeakPolarHBondContact OE1-CB 3.47Å; E852-S858 PolarHBondContact OE1-OG 3.43Å; E852-S858 PolarHBondContact OE2-OG 3.03Å; E852-K921 IonicContact OE1-NZ 3.1Å; E852-K921 PolarHBondContact OE1-NZ 2.88Å | ||
| 853 | P | 63.6 | Low | 64.9 | Low | 60 Ų | 60 | 84.9 Ų | 84.9 | 39% | 0.39 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -70 | -28.2 | -176.5 | 29.3 | -33.3 | 0 | 0 | 0 | 112 | L887 E888 L891 | P853-L887 HydrophobicContact CB-CD2 3.57Å; P853-L887 HydrophobicContact CG-CD2 3.56Å; P853-E888 WeakPolarHBondContact CD-OE1 3.27Å; P853-E888 VanDerWaalsContact CG-CD 3.44Å; P853-E888 HydrophobicContact CG-CG 3.83Å; P853-E888 WeakPolarHBondContact CG-OE1 3.47Å; P853-L891 HydrophobicContact CG-CD1 4.03Å |
| 854 | I | 71.1 | Confident | 66.6 | Low | 29 Ų | 29 | 81.1 Ų | 81.1 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -114.4 | 108.6 | 163.2 | -52.5 | 172.2 | 0 | 0 | 0 | 108.8 | E852 G856 L857 V876 V880 E888 | E852-I854 VanDerWaalsContact C-N 3.29Å; E852-I854 PolarHBondContact O-N 3.13Å; I854-G856 PolarHBondContact O-N 2.8Å; I854-L857 HydrophobicContact CB-CB 3.9Å; I854-L857 HydrophobicContact CD1-CD1 4.09Å; I854-L857 HydrophobicContact CD1-CD2 4.46Å; I854-L857 HydrophobicContact CG2-CB 3.94Å; I854-L857 HydrophobicContact CG2-CD1 4.27Å; I854-L857 PolarHBondContact O-N 3.19Å; I854-L857 VanDerWaalsContact O-N 3.13Å; I854-V876 HydrophobicContact CG2-CG1 3.93Å; I854-V880 HydrophobicContact CD1-CB 4.33Å; I854-V880 HydrophobicContact CD1-CG1 4.12Å; I854-V880 HydrophobicContact CD1-CG2 3.42Å; I854-V880 VanDerWaalsContact CD1-CG2 3.42Å; I854-V880 HydrophobicContact CG1-CG2 4.15Å; I854-E888 WeakPolarHBondContact CA-OE1 3.42Å; I854-E888 WeakPolarHBondContact CB-OE1 3.31Å; I854-E888 HydrophobicContact CD1-CG 3.67Å; I854-E888 HydrophobicContact CG1-CG 3.91Å; I854-E888 VanDerWaalsContact CG1-OE1 3.31Å; I854-E888 WeakPolarHBondContact CG1-OE1 3.42Å; I854-E888 PolarHBondContact N-OE1 3.4Å |
| 855 | H | 71.4 | Confident | 68.1 | Low | 142 Ų | 142 | 80.7 Ų | 80.7 | 66% | 0.657 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 113.1 | -177.3 | -173.1 | -60.9 | 0 | 0 | 0 | 112.4 | ||
| 856 | G | 76.2 | Confident | 69.7 | Low | 19 Ų | 19 | 74.9 Ų | 74.9 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 7.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E852 I854 S858 M859 R860 | E852-G856 PolarHBondContact OE2-N 3.17Å; I854-G856 PolarHBondContact O-N 2.8Å; G856-S858 VanDerWaalsContact C-N 3.3Å; G856-S858 PolarHBondContact O-N 2.96Å; G856-M859 PolarHBondContact O-N 3.09Å; G856-R860 WeakPolarHBondContact O-CG 3.46Å; G856-R860 PolarHBondContact O-N 3.45Å; G856-R860 VanDerWaalsContact O-N 3.13Å |
| 857 | L | 82.3 | Confident | 71.4 | Confident | 5 Ų | 5 | 74.5 Ų | 74.5 | 3% | 0.026 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 173.6 | -175.1 | 103 | 0 | 0 | 0 | 110.9 | I854 M859 R860 L861 V876 L877 E888 | I854-L857 HydrophobicContact CB-CB 3.9Å; I854-L857 HydrophobicContact CD1-CD1 4.09Å; I854-L857 HydrophobicContact CD1-CD2 4.46Å; I854-L857 HydrophobicContact CG2-CB 3.94Å; I854-L857 HydrophobicContact CG2-CD1 4.27Å; I854-L857 PolarHBondContact O-N 3.19Å; I854-L857 VanDerWaalsContact O-N 3.13Å; L857-M859 VanDerWaalsContact C-N 3.35Å; L857-M859 PolarHBondContact O-N 2.96Å; L857-R860 PolarHBondContact O-N 3.47Å; L857-L861 HydrophobicContact CD2-CD1 3.65Å; L857-L861 HydrophobicContact CD2-CG 4.49Å; L857-L861 HydrophobicContact CG-CD1 3.98Å; L857-L861 HydrophobicContact CG-CG 4.3Å; L857-L861 WeakPolarHBondContact O-CG 3.48Å; L857-L861 PolarHBondContact O-N 3.13Å; L857-V876 HydrophobicContact CD1-CG1 4.06Å; L857-L877 HydrophobicContact CD1-CD2 4.02Å; L857-E888 HydrophobicContact CD2-CB 4.48Å; L857-E888 HydrophobicContact CD2-CG 4.13Å |
| 858 | S | 78 | Confident | 73.2 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | -179.3 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | E852 G856 R860 L861 I862 | E852-S858 WeakPolarHBondContact OE1-CB 3.47Å; E852-S858 PolarHBondContact OE1-OG 3.43Å; E852-S858 PolarHBondContact OE2-OG 3.03Å; G856-S858 VanDerWaalsContact C-N 3.3Å; G856-S858 PolarHBondContact O-N 2.96Å; S858-R860 VanDerWaalsContact C-N 3.32Å; S858-R860 PolarHBondContact O-N 2.86Å; S858-L861 PolarHBondContact O-N 2.93Å; S858-I862 VanDerWaalsContact O-CG1 3.26Å; S858-I862 WeakPolarHBondContact O-CG1 3.24Å; S858-I862 PolarHBondContact O-N 3.45Å |
| 859 | M | 78.7 | Confident | 75 | Confident | 64 Ų | 64 | 68.7 Ų | 68.7 | 32% | 0.315 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 178.4 | -72.3 | -59.7 | -68.2 | 0 | 0 | 111.6 | G856 L857 R863 | G856-M859 PolarHBondContact O-N 3.09Å; L857-M859 VanDerWaalsContact C-N 3.35Å; L857-M859 PolarHBondContact O-N 2.96Å; M859-R863 VanDerWaalsContact O-CB 3.29Å; M859-R863 WeakPolarHBondContact O-CB 3.47Å; M859-R863 VanDerWaalsContact O-CG 3.24Å; M859-R863 WeakPolarHBondContact O-CG 3.24Å; M859-R863 PolarHBondContact O-N 3.12Å; M859-R863 VanDerWaalsContact O-N 3.12Å |
| 860 | R | 83 | Confident | 76.8 | Confident | 128 Ų | 128 | 65.4 Ų | 65.4 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 173.1 | -71.3 | 179 | -175.5 | -179.4 | 2.8 | 111.5 | G856 L857 S858 R863 A864 I873 | G856-R860 WeakPolarHBondContact O-CG 3.46Å; G856-R860 PolarHBondContact O-N 3.45Å; G856-R860 VanDerWaalsContact O-N 3.13Å; L857-R860 PolarHBondContact O-N 3.47Å; S858-R860 VanDerWaalsContact C-N 3.32Å; S858-R860 PolarHBondContact O-N 2.86Å; R860-R863 PolarHBondContact O-N 3.4Å; R860-A864 WeakPolarHBondContact O-CB 3.29Å; R860-A864 PolarHBondContact O-N 3.28Å; R860-I873 HydrophobicContact CB-CD1 4.28Å; R860-I873 HydrophobicContact CB-CG1 4.22Å |
| 861 | L | 84.7 | Confident | 78.7 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 178.2 | -75.5 | 171.3 | 0 | 0 | 0 | 112.6 | L857 S858 I873 G924 F925 | L857-L861 HydrophobicContact CD2-CD1 3.65Å; L857-L861 HydrophobicContact CD2-CG 4.49Å; L857-L861 HydrophobicContact CG-CD1 3.98Å; L857-L861 HydrophobicContact CG-CG 4.3Å; L857-L861 WeakPolarHBondContact O-CG 3.48Å; L857-L861 PolarHBondContact O-N 3.13Å; S858-L861 PolarHBondContact O-N 2.93Å; L861-I873 HydrophobicContact CD2-CD1 4.24Å; L861-I873 HydrophobicContact CD2-CG2 4.01Å; L861-G924 VanDerWaalsContact O-CA 3.31Å; L861-G924 WeakPolarHBondContact O-CA 3.44Å; L861-F925 HydrophobicContact CD1-CB 4.44Å; L861-F925 HydrophobicContact CD1-CD2 4.02Å; L861-F925 HydrophobicContact CD2-CD2 4.19Å |
| 862 | I | 81.6 | Confident | 80.1 | Confident | 56 Ų | 56 | 64 Ų | 64 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 179.1 | -66.7 | 165.1 | 0 | 0 | 0 | 111 | S858 L920 K921 | S858-I862 VanDerWaalsContact O-CG1 3.26Å; S858-I862 WeakPolarHBondContact O-CG1 3.24Å; S858-I862 PolarHBondContact O-N 3.45Å; I862-L920 HydrophobicContact CD1-CB 4.47Å; I862-K921 HydrophobicContact CD1-CG 4.19Å |
| 863 | R | 82.6 | Confident | 81.3 | Confident | 173 Ų | 173 | 62.9 Ų | 62.9 | 65% | 0.653 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -84.8 | -25.6 | -176.1 | -70.4 | 178.6 | 178.4 | -179.5 | 1.9 | 114.4 | M859 R860 K865 | M859-R863 VanDerWaalsContact O-CB 3.29Å; M859-R863 WeakPolarHBondContact O-CB 3.47Å; M859-R863 VanDerWaalsContact O-CG 3.24Å; M859-R863 WeakPolarHBondContact O-CG 3.24Å; M859-R863 PolarHBondContact O-N 3.12Å; M859-R863 VanDerWaalsContact O-N 3.12Å; R860-R863 PolarHBondContact O-N 3.4Å; R863-K865 PolarHBondContact O-N 3.12Å |
| 864 | A | 82.9 | Confident | 82.4 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.033 | 29% | 0.289 | C | S | . | . | trans | -60.4 | 123.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R860 E869 F870 I873 | R860-A864 WeakPolarHBondContact O-CB 3.29Å; R860-A864 PolarHBondContact O-N 3.28Å; A864-E869 WeakPolarHBondContact CA-OE2 3.43Å; A864-E869 HydrophobicContact CB-CB 4Å; A864-F870 HydrophobicContact CB-CD1 3.97Å; A864-F870 HydrophobicContact CB-CE1 3.62Å; A864-F870 HydrophobicContact CB-CZ 4.01Å; A864-I873 HydrophobicContact CB-CD1 3.71Å | ||
| 865 | K | 81.2 | Confident | 83.2 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | trans | -128.2 | -23.1 | 174.2 | -66.7 | -173.2 | 179.6 | -170.2 | 0 | 112.1 | R863 E869 D988 | R863-K865 PolarHBondContact O-N 3.12Å; K865-E869 PolarHBondContact N-OE2 2.92Å; K865-D988 IonicContact NZ-OD2 3.94Å; K865-D988 PolarHBondContact NZ-OD2 3.18Å; K865-D988 VanDerWaalsContact NZ-OD2 3.1Å | ||
| 866 | S | 83.4 | Confident | 83.9 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -99.5 | 156.2 | -177.5 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | D868 E869 F870 | S866-D868 VanDerWaalsContact C-N 3.29Å; S866-D868 PolarHBondContact O-N 3.32Å; S866-E869 PolarHBondContact N-OE2 3.09Å; S866-E869 PolarHBondContact O-N 3.16Å; S866-E869 WeakPolarHBondContact OG-CG 3.41Å; S866-E869 PolarHBondContact OG-N 3.3Å; S866-E869 PolarHBondContact OG-OE2 3.06Å; S866-F870 WeakPolarHBondContact O-CD2 3.22Å; S866-F870 PolarHBondContact O-N 3.13Å |
| 867 | N | 83.4 | Confident | 84.4 | Confident | 95 Ų | 95 | 58 Ų | 58 | 51% | 0.508 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 176.8 | -71.7 | -17.4 | 0 | 0 | 0 | 112.6 | E869 F870 D871 N931 | N867-E869 VanDerWaalsContact C-N 3.34Å; N867-E869 PolarHBondContact O-N 2.88Å; N867-F870 PolarHBondContact O-N 2.68Å; N867-D871 PolarHBondContact O-N 3.46Å; N867-N931 PolarHBondContact OD1-ND2 3.32Å |
| 868 | D | 85.5 | Confident | 84.6 | Confident | 113 Ų | 113 | 60.7 Ų | 60.7 | 60% | 0.604 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.1 | -37.4 | -178.9 | -62.4 | -12 | 0 | 0 | 0 | 111.7 | S866 D871 Q872 | S866-D868 VanDerWaalsContact C-N 3.29Å; S866-D868 PolarHBondContact O-N 3.32Å; D868-D871 PolarHBondContact O-N 2.9Å; D868-Q872 WeakPolarHBondContact O-CG 3.31Å; D868-Q872 PolarHBondContact O-N 3.19Å |
| 869 | E | 87.3 | Confident | 85 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 173.7 | -71.8 | 165 | 154.2 | 0 | 0 | 111.3 | A864 K865 S866 N867 D871 Q872 I873 | A864-E869 WeakPolarHBondContact CA-OE2 3.43Å; A864-E869 HydrophobicContact CB-CB 4Å; K865-E869 PolarHBondContact N-OE2 2.92Å; S866-E869 PolarHBondContact N-OE2 3.09Å; S866-E869 PolarHBondContact O-N 3.16Å; S866-E869 WeakPolarHBondContact OG-CG 3.41Å; S866-E869 PolarHBondContact OG-N 3.3Å; S866-E869 PolarHBondContact OG-OE2 3.06Å; N867-E869 VanDerWaalsContact C-N 3.34Å; N867-E869 PolarHBondContact O-N 2.88Å; E869-D871 VanDerWaalsContact C-N 3.35Å; E869-Q872 PolarHBondContact O-N 3.35Å; E869-I873 WeakPolarHBondContact O-CD1 3.39Å; E869-I873 VanDerWaalsContact O-CG1 3.27Å; E869-I873 WeakPolarHBondContact O-CG1 3.31Å; E869-I873 PolarHBondContact O-N 3.41Å |
| 870 | F | 88.2 | Confident | 85.2 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.8 | -33 | 174.9 | -66.4 | -58.5 | 0 | 0 | 0 | 112.6 | A864 S866 N867 I873 S874 R927 Y928 N931 R932 | A864-F870 HydrophobicContact CB-CD1 3.97Å; A864-F870 HydrophobicContact CB-CE1 3.62Å; A864-F870 HydrophobicContact CB-CZ 4.01Å; S866-F870 WeakPolarHBondContact O-CD2 3.22Å; S866-F870 PolarHBondContact O-N 3.13Å; N867-F870 PolarHBondContact O-N 2.68Å; F870-I873 HydrophobicContact CD1-CD1 4.27Å; F870-I873 PolarHBondContact O-N 2.91Å; F870-S874 PolarHBondContact O-N 3.27Å; F870-R927 HydrophobicContact CZ-CB 4.36Å; F870-Y928 HydrophobicContact CB-CD2 4.3Å; F870-Y928 AromaticContact CD1-CD2 3.95Å; F870-Y928 HydrophobicContact CD1-CD2 3.95Å; F870-Y928 HydrophobicContact CD1-CG 4.44Å; F870-N931 HydrophobicContact CB-CB 4.49Å; F870-N931 VanDerWaalsContact CB-OD1 3.31Å; F870-N931 WeakPolarHBondContact CB-OD1 3.2Å; F870-N931 HydrophobicContact CD1-CB 4.49Å; F870-N931 HydrophobicContact CD2-CB 3.71Å; F870-N931 WeakPolarHBondContact CD2-ND2 3.5Å; F870-N931 WeakPolarHBondContact CD2-OD1 3.42Å; F870-N931 HydrophobicContact CE2-CB 3.98Å; F870-N931 HydrophobicContact CG-CB 4Å; F870-N931 HydrophobicContact CZ-CB 4.47Å; F870-R932 VanDerWaalsContact C-NH2 3.28Å |
| 871 | D | 87 | Confident | 85.3 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 173.3 | -77.7 | -12.1 | 0 | 0 | 0 | 110.9 | N867 D868 E869 I873 S874 H875 R932 R937 | N867-D871 PolarHBondContact O-N 3.46Å; D868-D871 PolarHBondContact O-N 2.9Å; E869-D871 VanDerWaalsContact C-N 3.35Å; D871-I873 VanDerWaalsContact C-N 3.33Å; D871-I873 PolarHBondContact O-N 3.27Å; D871-S874 WeakPolarHBondContact O-CB 3.15Å; D871-S874 PolarHBondContact O-N 3.49Å; D871-H875 PolarHBondContact O-CD2 2.85Å; D871-H875 PolarHBondContact O-N 3.28Å; D871-R932 IonicContact OD1-CZ 3.38Å; D871-R932 IonicContact OD1-NH1 3.22Å; D871-R932 PolarHBondContact OD1-NH1 2.93Å; D871-R932 IonicContact OD1-NH2 3.81Å; D871-R932 PolarHBondContact OD1-NH2 3.28Å; D871-R937 IonicContact OD1-NH1 3.08Å; D871-R937 IonicContact OD2-NH1 2.89Å; D871-R937 PolarHBondContact OD2-NH1 3.04Å |
| 872 | Q | 87.3 | Confident | 85.4 | Confident | 114 Ų | 114 | 59.1 Ų | 59.1 | 53% | 0.533 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 173.2 | -69.7 | 173.4 | 24 | 0 | 0 | 112.1 | D868 E869 H875 V876 | D868-Q872 WeakPolarHBondContact O-CG 3.31Å; D868-Q872 PolarHBondContact O-N 3.19Å; E869-Q872 PolarHBondContact O-N 3.35Å; Q872-H875 PolarHBondContact O-N 3.4Å; Q872-V876 WeakPolarHBondContact O-CG2 3.19Å; Q872-V876 PolarHBondContact O-N 3.48Å; Q872-V876 VanDerWaalsContact O-N 3.15Å |
| 873 | I | 87.8 | Confident | 85.5 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -43 | 174.6 | -68.2 | 162.1 | 0 | 0 | 0 | 110.2 | R860 L861 A864 E869 F870 D871 H875 V876 L877 Y928 | R860-I873 HydrophobicContact CB-CD1 4.28Å; R860-I873 HydrophobicContact CB-CG1 4.22Å; L861-I873 HydrophobicContact CD2-CD1 4.24Å; L861-I873 HydrophobicContact CD2-CG2 4.01Å; A864-I873 HydrophobicContact CB-CD1 3.71Å; E869-I873 WeakPolarHBondContact O-CD1 3.39Å; E869-I873 VanDerWaalsContact O-CG1 3.27Å; E869-I873 WeakPolarHBondContact O-CG1 3.31Å; E869-I873 PolarHBondContact O-N 3.41Å; F870-I873 HydrophobicContact CD1-CD1 4.27Å; F870-I873 PolarHBondContact O-N 2.91Å; D871-I873 VanDerWaalsContact C-N 3.33Å; D871-I873 PolarHBondContact O-N 3.27Å; I873-H875 PolarHBondContact O-N 3.36Å; I873-V876 PolarHBondContact O-N 3.04Å; I873-L877 HydrophobicContact CG2-CD1 3.86Å; I873-L877 HydrophobicContact CG2-CG 4.25Å; I873-L877 WeakPolarHBondContact O-CG 3.46Å; I873-L877 PolarHBondContact O-N 3.35Å; I873-Y928 HydrophobicContact CB-CD2 4.5Å; I873-Y928 HydrophobicContact CG2-CD2 4.04Å; I873-Y928 HydrophobicContact CG2-CE2 4.15Å; I873-Y928 HydrophobicContact CG2-CG 4.48Å |
| 874 | S | 87.7 | Confident | 85.6 | Confident | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.028 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | F870 D871 V876 L877 K878 D938 | F870-S874 PolarHBondContact O-N 3.27Å; D871-S874 WeakPolarHBondContact O-CB 3.15Å; D871-S874 PolarHBondContact O-N 3.49Å; S874-V876 VanDerWaalsContact C-N 3.28Å; S874-V876 PolarHBondContact O-N 3.35Å; S874-L877 PolarHBondContact O-N 2.91Å; S874-L877 VanDerWaalsContact O-N 3.16Å; S874-K878 WeakPolarHBondContact O-CB 3.49Å; S874-K878 VanDerWaalsContact O-CG 3.27Å; S874-K878 WeakPolarHBondContact O-CG 3.42Å; S874-K878 PolarHBondContact O-N 2.94Å; S874-K878 WeakPolarHBondContact OG-CE 3.49Å; S874-D938 PolarHBondContact OG-OD2 2.95Å |
| 875 | H | 86.7 | Confident | 85.8 | Confident | 110 Ų | 110 | 51.9 Ų | 51.9 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58 | -39.7 | 175.7 | -78.7 | -66.3 | 0 | 0 | 0 | 112.9 | D871 Q872 I873 S879 | D871-H875 PolarHBondContact O-CD2 2.85Å; D871-H875 PolarHBondContact O-N 3.28Å; Q872-H875 PolarHBondContact O-N 3.4Å; I873-H875 PolarHBondContact O-N 3.36Å; H875-S879 PolarHBondContact O-N 3.38Å |
| 876 | V | 86.2 | Confident | 86.2 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -49.7 | 174.8 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | I854 L857 Q872 I873 S874 K878 S879 V880 | I854-V876 HydrophobicContact CG2-CG1 3.93Å; L857-V876 HydrophobicContact CD1-CG1 4.06Å; Q872-V876 WeakPolarHBondContact O-CG2 3.19Å; Q872-V876 PolarHBondContact O-N 3.48Å; Q872-V876 VanDerWaalsContact O-N 3.15Å; I873-V876 PolarHBondContact O-N 3.04Å; S874-V876 VanDerWaalsContact C-N 3.28Å; S874-V876 PolarHBondContact O-N 3.35Å; V876-K878 VanDerWaalsContact C-N 3.32Å; V876-K878 PolarHBondContact O-N 3.38Å; V876-S879 PolarHBondContact O-N 3.26Å; V876-S879 PolarHBondContact O-OG 3.29Å; V876-V880 HydrophobicContact CG1-CG2 4.48Å; V876-V880 WeakPolarHBondContact O-CG2 3.48Å; V876-V880 PolarHBondContact O-N 2.91Å |
| 877 | L | 87 | Confident | 86.3 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.9 | -37.3 | -179.8 | -66.4 | 173 | 0 | 0 | 0 | 112.5 | L857 I873 S874 S879 V880 L885 Y928 | L857-L877 HydrophobicContact CD1-CD2 4.02Å; I873-L877 HydrophobicContact CG2-CD1 3.86Å; I873-L877 HydrophobicContact CG2-CG 4.25Å; I873-L877 WeakPolarHBondContact O-CG 3.46Å; I873-L877 PolarHBondContact O-N 3.35Å; S874-L877 PolarHBondContact O-N 2.91Å; S874-L877 VanDerWaalsContact O-N 3.16Å; L877-S879 VanDerWaalsContact C-N 3.28Å; L877-S879 PolarHBondContact O-N 2.93Å; L877-V880 PolarHBondContact O-N 3.44Å; L877-L885 HydrophobicContact CB-CD1 4.5Å; L877-L885 HydrophobicContact CD2-CD1 3.6Å; L877-Y928 HydrophobicContact CD1-CD1 4.24Å; L877-Y928 HydrophobicContact CD1-CE1 3.54Å; L877-Y928 HydrophobicContact CD1-CE2 4.33Å |
| 878 | K | 87 | Confident | 86.4 | Confident | 63 Ų | 63 | 43.2 Ų | 43.2 | 27% | 0.274 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66 | -28.1 | 174.4 | -69 | -178 | -177.5 | -169.7 | 0 | 113.2 | S757 I759 S874 V876 D938 L941 | S757-K878 PolarHBondContact O-NZ 2.96Å; I759-K878 HydrophobicContact CD1-CB 4.4Å; I759-K878 HydrophobicContact CD1-CG 4.08Å; S874-K878 WeakPolarHBondContact O-CB 3.49Å; S874-K878 VanDerWaalsContact O-CG 3.27Å; S874-K878 WeakPolarHBondContact O-CG 3.42Å; S874-K878 PolarHBondContact O-N 2.94Å; S874-K878 WeakPolarHBondContact OG-CE 3.49Å; V876-K878 VanDerWaalsContact C-N 3.32Å; V876-K878 PolarHBondContact O-N 3.38Å; K878-D938 VanDerWaalsContact CE-CG 3.43Å; K878-D938 WeakPolarHBondContact CE-OD1 3.35Å; K878-D938 IonicContact NZ-OD1 3.03Å; K878-D938 PolarHBondContact NZ-OD1 3.36Å; K878-D938 IonicContact NZ-OD2 3.08Å; K878-L941 HydrophobicContact CG-CD2 4.22Å |
| 879 | S | 84.7 | Confident | 86.4 | Confident | 88 Ų | 88 | 37.9 Ų | 37.9 | 62% | 0.615 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -80.7 | -16.8 | 179.6 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | H875 V876 L877 | H875-S879 PolarHBondContact O-N 3.38Å; V876-S879 PolarHBondContact O-N 3.26Å; V876-S879 PolarHBondContact O-OG 3.29Å; L877-S879 VanDerWaalsContact C-N 3.28Å; L877-S879 PolarHBondContact O-N 2.93Å |
| 880 | V | 83.4 | Confident | 86.4 | Confident | 22 Ų | 22 | 38.3 Ų | 38.3 | 13% | 0.133 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -86 | 139.2 | -173.3 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | F763 I854 V876 L877 L885 | F763-V880 WeakPolarHBondContact CZ-O 3.36Å; I854-V880 HydrophobicContact CD1-CB 4.33Å; I854-V880 HydrophobicContact CD1-CG1 4.12Å; I854-V880 HydrophobicContact CD1-CG2 3.42Å; I854-V880 VanDerWaalsContact CD1-CG2 3.42Å; I854-V880 HydrophobicContact CG1-CG2 4.15Å; V876-V880 HydrophobicContact CG1-CG2 4.48Å; V876-V880 WeakPolarHBondContact O-CG2 3.48Å; V876-V880 PolarHBondContact O-N 2.91Å; L877-V880 PolarHBondContact O-N 3.44Å; V880-L885 HydrophobicContact CG1-CB 4.37Å |
| 881 | G | 84.8 | Confident | 86.2 | Confident | 33 Ų | 33 | 42.1 Ų | 42.1 | 34% | 0.34 | 24% | 0.235 | S | C | . | . | trans | -65.8 | 159 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S883 G884 L885 | G881-S883 PolarHBondContact O-N 2.93Å; G881-S883 VanDerWaalsContact O-N 3.12Å; G881-G884 PolarHBondContact O-N 3.28Å; G881-L885 PolarHBondContact O-N 2.92Å; G881-L885 VanDerWaalsContact O-N 3.09Å | ||
| 882 | T | 87 | Confident | 86 | Confident | 26 Ų | 26 | 40.8 Ų | 40.8 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.9 | -38.7 | -176.9 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | F763 T766 L767 D886 | F763-T882 HydrophobicContact CD1-CG2 4.2Å; F763-T882 HydrophobicContact CD2-CG2 3.53Å; F763-T882 HydrophobicContact CE1-CG2 4.2Å; F763-T882 HydrophobicContact CE2-CG2 3.53Å; F763-T882 HydrophobicContact CG-CG2 3.88Å; F763-T882 HydrophobicContact CZ-CG2 3.88Å; T766-T882 HydrophobicContact CG2-CG2 4.12Å; L767-T882 HydrophobicContact CB-CG2 4.24Å; L767-T882 WeakPolarHBondContact CD1-O 3.15Å; T882-D886 WeakPolarHBondContact O-CB 3.27Å; T882-D886 PolarHBondContact O-N 3.35Å |
| 883 | S | 85.1 | Confident | 85.6 | Confident | 55 Ų | 55 | 36.1 Ų | 36.1 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.4 | -35.2 | 177.6 | -71.6 | 0 | 0 | 0 | 0 | 113.7 | R774 G881 L887 | R774-S883 VanDerWaalsContact NH2-CB 3.28Å; R774-S883 PolarHBondContact NH2-OG 2.93Å; G881-S883 PolarHBondContact O-N 2.93Å; G881-S883 VanDerWaalsContact O-N 3.12Å; S883-L887 WeakPolarHBondContact O-CB 3.42Å; S883-L887 PolarHBondContact O-N 3.15Å; S883-L887 VanDerWaalsContact O-N 3.12Å |
| 884 | G | 84.3 | Confident | 84.8 | Confident | 25 Ų | 25 | 37.9 Ų | 37.9 | 26% | 0.258 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72 | -40.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G881 L887 E888 | G881-G884 PolarHBondContact O-N 3.28Å; G884-L887 PolarHBondContact O-N 3.17Å; G884-E888 PolarHBondContact O-N 3.36Å |
| 885 | L | 87.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 177.3 | -176.3 | 62.4 | 0 | 0 | 0 | 111.9 | F763 L767 L877 V880 G881 L887 E888 I889 L941 | F763-L885 HydrophobicContact CE1-CD2 4.27Å; F763-L885 HydrophobicContact CZ-CD2 4.44Å; L767-L885 HydrophobicContact CD1-CB 4.27Å; L767-L885 HydrophobicContact CD1-CD2 4.24Å; L767-L885 HydrophobicContact CD1-CG 4.41Å; L767-L885 HydrophobicContact CD2-CD2 3.66Å; L767-L885 HydrophobicContact CD2-CG 4.47Å; L877-L885 HydrophobicContact CB-CD1 4.5Å; L877-L885 HydrophobicContact CD2-CD1 3.6Å; V880-L885 HydrophobicContact CG1-CB 4.37Å; G881-L885 PolarHBondContact O-N 2.92Å; G881-L885 VanDerWaalsContact O-N 3.09Å; L885-L887 VanDerWaalsContact C-N 3.34Å; L885-E888 PolarHBondContact O-N 2.96Å; L885-I889 HydrophobicContact CD1-CD1 4.44Å; L885-I889 HydrophobicContact CG-CD1 4.2Å; L885-I889 VanDerWaalsContact O-CG1 3.32Å; L885-I889 WeakPolarHBondContact O-CG1 3.4Å; L885-I889 PolarHBondContact O-N 3.33Å; L885-I889 VanDerWaalsContact O-N 3.1Å; L885-L941 HydrophobicContact CD2-CD1 4.24Å |
| 886 | D | 88.3 | Confident | 82.8 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 173.5 | 175 | 54.7 | 0 | 0 | 0 | 111.8 | L767 L770 R774 T882 I889 R890 | L767-D886 HydrophobicContact CD1-CB 4.26Å; L770-D886 HydrophobicContact CD1-CB 4.2Å; R774-D886 IonicContact NH1-OD2 3.76Å; T882-D886 WeakPolarHBondContact O-CB 3.27Å; T882-D886 PolarHBondContact O-N 3.35Å; D886-I889 PolarHBondContact O-N 3.35Å; D886-R890 WeakPolarHBondContact O-CG 3.27Å; D886-R890 PolarHBondContact O-N 3.47Å; D886-R890 IonicContact OD1-CZ 3.76Å; D886-R890 IonicContact OD1-NE 3.9Å; D886-R890 PolarHBondContact OD1-NE 3.04Å; D886-R890 IonicContact OD1-NH2 3.48Å; D886-R890 PolarHBondContact OD1-NH2 3.25Å; D886-R890 IonicContact OD2-CZ 2.77Å; D886-R890 IonicContact OD2-NE 2.79Å; D886-R890 PolarHBondContact OD2-NE 3.35Å; D886-R890 VanDerWaalsContact OD2-NE 3.08Å; D886-R890 IonicContact OD2-NH2 2.68Å; D886-R890 PolarHBondContact OD2-NH2 3.35Å |
| 887 | L | 85.7 | Confident | 81.6 | Confident | 76 Ų | 76 | 44.5 Ų | 44.5 | 40% | 0.398 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 178.7 | -151.4 | 118.3 | 0 | 0 | 0 | 112.1 | P853 S883 G884 L885 R890 L891 | P853-L887 HydrophobicContact CB-CD2 3.57Å; P853-L887 HydrophobicContact CG-CD2 3.56Å; S883-L887 WeakPolarHBondContact O-CB 3.42Å; S883-L887 PolarHBondContact O-N 3.15Å; S883-L887 VanDerWaalsContact O-N 3.12Å; G884-L887 PolarHBondContact O-N 3.17Å; L885-L887 VanDerWaalsContact C-N 3.34Å; L887-R890 PolarHBondContact O-N 2.87Å; L887-L891 HydrophobicContact CD2-CD1 3.75Å; L887-L891 HydrophobicContact CG-CD1 4.48Å; L887-L891 WeakPolarHBondContact O-CG 3.47Å; L887-L891 PolarHBondContact O-N 3.5Å; L887-L891 VanDerWaalsContact O-N 3.11Å |
| 888 | E | 85.3 | Confident | 80.5 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.7 | -77 | -71.1 | -179.1 | 0 | 0 | 112.1 | P853 I854 L857 G884 L885 R890 L891 L892 | P853-E888 WeakPolarHBondContact CD-OE1 3.27Å; P853-E888 VanDerWaalsContact CG-CD 3.44Å; P853-E888 HydrophobicContact CG-CG 3.83Å; P853-E888 WeakPolarHBondContact CG-OE1 3.47Å; I854-E888 WeakPolarHBondContact CA-OE1 3.42Å; I854-E888 WeakPolarHBondContact CB-OE1 3.31Å; I854-E888 HydrophobicContact CD1-CG 3.67Å; I854-E888 HydrophobicContact CG1-CG 3.91Å; I854-E888 VanDerWaalsContact CG1-OE1 3.31Å; I854-E888 WeakPolarHBondContact CG1-OE1 3.42Å; I854-E888 PolarHBondContact N-OE1 3.4Å; L857-E888 HydrophobicContact CD2-CB 4.48Å; L857-E888 HydrophobicContact CD2-CG 4.13Å; G884-E888 PolarHBondContact O-N 3.36Å; L885-E888 PolarHBondContact O-N 2.96Å; E888-R890 VanDerWaalsContact C-N 3.31Å; E888-R890 PolarHBondContact O-N 3.46Å; E888-L891 PolarHBondContact O-N 2.93Å; E888-L892 WeakPolarHBondContact O-CG 3.32Å; E888-L892 PolarHBondContact O-N 3.02Å |
| 889 | I | 86.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 179.4 | -64.6 | 166.5 | 0 | 0 | 0 | 111.2 | L885 D886 L892 F925 I948 L949 H953 | L885-I889 HydrophobicContact CD1-CD1 4.44Å; L885-I889 HydrophobicContact CG-CD1 4.2Å; L885-I889 VanDerWaalsContact O-CG1 3.32Å; L885-I889 WeakPolarHBondContact O-CG1 3.4Å; L885-I889 PolarHBondContact O-N 3.33Å; L885-I889 VanDerWaalsContact O-N 3.1Å; D886-I889 PolarHBondContact O-N 3.35Å; I889-L892 HydrophobicContact CG2-CD1 4.34Å; I889-L892 WeakPolarHBondContact O-CG 3.35Å; I889-F925 HydrophobicContact CD1-CZ 4.46Å; I889-F925 HydrophobicContact CG1-CE1 4.42Å; I889-F925 HydrophobicContact CG1-CZ 4.02Å; I889-I948 HydrophobicContact CB-CG2 4.4Å; I889-I948 HydrophobicContact CD1-CB 4.33Å; I889-I948 HydrophobicContact CD1-CD1 4.4Å; I889-I948 HydrophobicContact CD1-CG2 4.09Å; I889-I948 HydrophobicContact CG2-CG2 3.81Å; I889-L949 HydrophobicContact CG2-CB 4.45Å; I889-H953 PolarHBondContact O-NE2 3.21Å |
| 890 | R | 86 | Confident | 78 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 32% | 0.317 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.1 | -33.4 | 176.3 | -71.1 | 179.8 | -161.1 | -137.8 | 6.4 | 113 | D771 D886 L887 E888 L892 Q952 | D771-R890 VanDerWaalsContact CG-NH2 3.27Å; D771-R890 IonicContact OD1-CZ 3.41Å; D771-R890 IonicContact OD1-NH1 3.53Å; D771-R890 IonicContact OD1-NH2 3.1Å; D771-R890 PolarHBondContact OD1-NH2 3.13Å; D771-R890 IonicContact OD2-CZ 2.69Å; D771-R890 IonicContact OD2-NH1 3.27Å; D771-R890 IonicContact OD2-NH2 3.81Å; D771-R890 PolarHBondContact OD2-NH2 3.46Å; D771-R890 VanDerWaalsContact OD2-NH2 3.08Å; D886-R890 WeakPolarHBondContact O-CG 3.27Å; D886-R890 PolarHBondContact O-N 3.47Å; D886-R890 IonicContact OD1-CZ 3.76Å; D886-R890 IonicContact OD1-NE 3.9Å; D886-R890 PolarHBondContact OD1-NE 3.04Å; D886-R890 IonicContact OD1-NH2 3.48Å; D886-R890 PolarHBondContact OD1-NH2 3.25Å; D886-R890 IonicContact OD2-CZ 2.77Å; D886-R890 IonicContact OD2-NE 2.79Å; D886-R890 PolarHBondContact OD2-NE 3.35Å; D886-R890 VanDerWaalsContact OD2-NE 3.08Å; D886-R890 IonicContact OD2-NH2 2.68Å; D886-R890 PolarHBondContact OD2-NH2 3.35Å; L887-R890 PolarHBondContact O-N 2.87Å; E888-R890 VanDerWaalsContact C-N 3.31Å; E888-R890 PolarHBondContact O-N 3.46Å; R890-L892 VanDerWaalsContact C-N 3.31Å; R890-L892 PolarHBondContact O-N 3.06Å; R890-Q952 HydrophobicContact CG-CG 4.45Å |
| 891 | L | 84.5 | Confident | 76.6 | Confident | 91 Ų | 91 | 50.9 Ų | 50.9 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 5.9 | -178.9 | -66.3 | 176 | 0 | 0 | 0 | 114.4 | P853 L887 E888 V893 | P853-L891 HydrophobicContact CG-CD1 4.03Å; L887-L891 HydrophobicContact CD2-CD1 3.75Å; L887-L891 HydrophobicContact CG-CD1 4.48Å; L887-L891 WeakPolarHBondContact O-CG 3.47Å; L887-L891 PolarHBondContact O-N 3.5Å; L887-L891 VanDerWaalsContact O-N 3.11Å; E888-L891 PolarHBondContact O-N 2.93Å; L891-V893 VanDerWaalsContact C-N 3.32Å; L891-V893 PolarHBondContact O-N 3.5Å |
| 892 | L | 83 | Confident | 75.2 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -27.2 | -179.1 | -71.8 | 175.6 | 0 | 0 | 0 | 114.2 | E888 I889 R890 K921 L922 F925 L949 | E888-L892 WeakPolarHBondContact O-CG 3.32Å; E888-L892 PolarHBondContact O-N 3.02Å; I889-L892 HydrophobicContact CG2-CD1 4.34Å; I889-L892 WeakPolarHBondContact O-CG 3.35Å; R890-L892 VanDerWaalsContact C-N 3.31Å; R890-L892 PolarHBondContact O-N 3.06Å; L892-K921 HydrophobicContact CD2-CB 4.49Å; L892-L922 HydrophobicContact CB-CD1 4.38Å; L892-L922 HydrophobicContact CD1-CD1 4.39Å; L892-F925 HydrophobicContact CD1-CB 4.04Å; L892-F925 HydrophobicContact CD1-CD1 3.53Å; L892-F925 HydrophobicContact CD1-CD2 4.41Å; L892-F925 HydrophobicContact CD1-CE1 4Å; L892-F925 HydrophobicContact CD1-CG 3.74Å; L892-F925 HydrophobicContact CD2-CB 3.92Å; L892-F925 HydrophobicContact CD2-CD2 4.43Å; L892-F925 HydrophobicContact CD2-CG 4.15Å; L892-L949 HydrophobicContact CD1-CD1 4.14Å |
| 893 | V | 78.1 | Confident | 73.6 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -114.8 | 131.1 | -179.2 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | L891 Y919 L922 H953 I956 | L891-V893 VanDerWaalsContact C-N 3.32Å; L891-V893 PolarHBondContact O-N 3.5Å; V893-Y919 HydrophobicContact CG1-CD1 4.2Å; V893-Y919 HydrophobicContact CG1-CE1 3.78Å; V893-L922 HydrophobicContact CG2-CD1 4.49Å; V893-L922 HydrophobicContact CG2-CD2 4.07Å; V893-H953 WeakPolarHBondContact CG2-ND1 3.36Å; V893-I956 HydrophobicContact CB-CD1 4.13Å; V893-I956 HydrophobicContact CG1-CD1 3.65Å; V893-I956 HydrophobicContact CG2-CD1 4.42Å |
| 894 | P | 71.1 | Confident | 71.8 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 26% | 0.26 | 33% | 0.332 | S | S | . | . | trans | -66.4 | 157.8 | 177 | 24.8 | -31.1 | 0 | 0 | 0 | 112.3 | D898 P918 | P894-D898 HydrophobicContact CB-CB 3.84Å; P894-P918 VanDerWaalsContact CD-O 3.26Å; P894-P918 WeakPolarHBondContact CD-O 3.48Å; P894-P918 HydrophobicContact CG-CB 3.58Å; P894-P918 WeakPolarHBondContact CG-O 3.37Å | ||
| 895 | S | 67.8 | Low | 70.2 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 38% | 0.378 | 36% | 0.356 | S | S | . | . | trans | -69 | 160.3 | -175.7 | 71.8 | 0 | 0 | 0 | 0 | 111.9 | E897 D898 E899 | S895-E897 PolarHBondContact O-N 2.96Å; S895-E897 VanDerWaalsContact O-N 3.14Å; S895-D898 WeakPolarHBondContact CB-OD2 3.08Å; S895-D898 PolarHBondContact N-OD2 3.46Å; S895-D898 WeakPolarHBondContact O-CA 3.41Å; S895-D898 WeakPolarHBondContact O-CB 3.26Å; S895-D898 PolarHBondContact O-N 3.1Å; S895-D898 PolarHBondContact OG-N 3.32Å; S895-D898 PolarHBondContact OG-OD2 3.05Å; S895-E899 PolarHBondContact O-N 3.31Å | ||
| 896 | A | 65.1 | Low | 68.3 | Low | 68 Ų | 68 | 69.7 Ų | 69.7 | 56% | 0.562 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.2 | -26.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M900 | A896-M900 WeakPolarHBondContact O-CG 3.31Å; A896-M900 PolarHBondContact O-N 3.11Å; A896-M900 VanDerWaalsContact O-N 3.13Å |
| 897 | E | 61.3 | Low | 66.2 | Low | 161 Ų | 161 | 77.5 Ų | 77.5 | 75% | 0.752 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -69.4 | -42.1 | 174.2 | -63.7 | -178.4 | -179.9 | 0 | 0 | 111 | S895 E899 M900 A901 | S895-E897 PolarHBondContact O-N 2.96Å; S895-E897 VanDerWaalsContact O-N 3.14Å; E897-E899 VanDerWaalsContact C-N 3.35Å; E897-M900 PolarHBondContact O-N 3.33Å; E897-A901 WeakPolarHBondContact O-CB 3.41Å; E897-A901 PolarHBondContact O-N 3.34Å |
| 898 | D | 63.4 | Low | 64.1 | Low | 79 Ų | 79 | 77.4 Ų | 77.4 | 42% | 0.422 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 174.7 | -58.5 | -43.3 | 0 | 0 | 0 | 111 | P894 S895 M900 A901 C902 | P894-D898 HydrophobicContact CB-CB 3.84Å; S895-D898 WeakPolarHBondContact CB-OD2 3.08Å; S895-D898 PolarHBondContact N-OD2 3.46Å; S895-D898 WeakPolarHBondContact O-CA 3.41Å; S895-D898 WeakPolarHBondContact O-CB 3.26Å; S895-D898 PolarHBondContact O-N 3.1Å; S895-D898 PolarHBondContact OG-N 3.32Å; S895-D898 PolarHBondContact OG-OD2 3.05Å; D898-M900 PolarHBondContact O-N 3.45Å; D898-A901 PolarHBondContact O-N 3.24Å; D898-C902 PolarHBondContact O-N 3.41Å; D898-C902 PolarHBondContact O-SG 3.36Å |
| 899 | E | 61.3 | Low | 61.7 | Low | 45 Ų | 45 | 86.4 Ų | 86.4 | 21% | 0.21 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 174.4 | -73.9 | -166.8 | 167.3 | 0 | 0 | 112.2 | S895 E897 C902 C903 Y919 | S895-E899 PolarHBondContact O-N 3.31Å; E897-E899 VanDerWaalsContact C-N 3.35Å; E899-C902 PolarHBondContact O-N 3.43Å; E899-C903 PolarHBondContact O-N 3.32Å; E899-C903 PolarHBondContact O-SG 3.4Å; E899-Y919 PolarHBondContact OE1-OH 3.07Å |
| 900 | M | 58.7 | Low | 59.3 | Low | 138 Ų | 138 | 92.6 Ų | 92.6 | 68% | 0.68 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.7 | -36.4 | 177.6 | -73.6 | -166.9 | -171.3 | 0 | 0 | 112.5 | A896 E897 D898 C902 C903 N904 | A896-M900 WeakPolarHBondContact O-CG 3.31Å; A896-M900 PolarHBondContact O-N 3.11Å; A896-M900 VanDerWaalsContact O-N 3.13Å; E897-M900 PolarHBondContact O-N 3.33Å; D898-M900 PolarHBondContact O-N 3.45Å; M900-C902 VanDerWaalsContact C-N 3.3Å; M900-C902 PolarHBondContact O-N 2.95Å; M900-C903 PolarHBondContact O-N 3.48Å; M900-N904 PolarHBondContact O-N 2.98Å |
| 901 | A | 54.4 | Low | 57.1 | Low | 46 Ų | 46 | 96.8 Ų | 96.8 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E897 D898 C903 | E897-A901 WeakPolarHBondContact O-CB 3.41Å; E897-A901 PolarHBondContact O-N 3.34Å; D898-A901 PolarHBondContact O-N 3.24Å; A901-C903 PolarHBondContact O-N 3.43Å |
| 902 | C | 54.3 | Low | 55.2 | Low | 71 Ų | 71 | 98.4 Ų | 98.4 | 48% | 0.48 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.3 | -20.1 | 173.3 | -66.1 | 0 | 0 | 0 | 0 | 113.6 | D898 E899 M900 | D898-C902 PolarHBondContact O-N 3.41Å; D898-C902 PolarHBondContact O-SG 3.36Å; E899-C902 PolarHBondContact O-N 3.43Å; M900-C902 VanDerWaalsContact C-N 3.3Å; M900-C902 PolarHBondContact O-N 2.95Å |
| 903 | C | 54 | Low | 53 | Low | 92 Ų | 92 | 105.3 Ų | 105.3 | 62% | 0.622 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -97.9 | -7.7 | -175.3 | -67.7 | 0 | 0 | 0 | 0 | 115.2 | E899 M900 A901 P905 | E899-C903 PolarHBondContact O-N 3.32Å; E899-C903 PolarHBondContact O-SG 3.4Å; M900-C903 PolarHBondContact O-N 3.48Å; A901-C903 PolarHBondContact O-N 3.43Å; C903-P905 VanDerWaalsContact O-CD 3.27Å; C903-P905 WeakPolarHBondContact O-CD 3.44Å |
| 904 | N | 48.2 | Very low | 51.5 | Low | 99 Ų | 99 | 112.9 Ų | 112.9 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | trans | -98 | 106.4 | -178.1 | -87.4 | -20.1 | 0 | 0 | 0 | 112.6 | M900 N906 | M900-N904 PolarHBondContact O-N 2.98Å; N904-N906 PolarHBondContact O-N 3.28Å; N904-N906 VanDerWaalsContact O-N 3.16Å | ||
| 905 | P | 49.3 | Very low | 50.5 | Low | 117 Ų | 117 | 115 Ų | 115 | 76% | 0.76 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -4 | -174.7 | 27.5 | -34.2 | 0 | 0 | 0 | 115.4 | C903 | C903-P905 VanDerWaalsContact O-CD 3.27Å; C903-P905 WeakPolarHBondContact O-CD 3.44Å |
| 906 | N | 47.3 | Very low | 50 | Low | 155 Ų | 155 | 119 Ų | 119 | 83% | 0.829 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 2.9 | -167.9 | -72.2 | -15.6 | 0 | 0 | 0 | 115.9 | N904 | N904-N906 PolarHBondContact O-N 3.28Å; N904-N906 VanDerWaalsContact O-N 3.16Å |
| 907 | Q | 44.4 | Very low | 50 | Low | 168 Ų | 168 | 117.2 Ų | 117.2 | 79% | 0.785 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -126.7 | 1.6 | -172.7 | -88.6 | -176 | -11.8 | 0 | 0 | 117.5 | ||
| 908 | T | 41.1 | Very low | 50.4 | Low | 74 Ų | 74 | 111.2 Ų | 111.2 | 45% | 0.454 | 59% | 0.594 | S | S | . | * | trans | -134.5 | 85.7 | -174.3 | 44.9 | 0 | 0 | 0 | 0 | 111.5 | Y912 | T908-Y912 HydrophobicContact CG2-CD2 3.85Å; T908-Y912 HydrophobicContact CG2-CE2 3.89Å | ||
| 909 | K | 35.7 | Very low | 51 | Low | 209 Ų | 209 | 108.3 Ų | 108.3 | 91% | 0.909 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -95.1 | 9.5 | 178 | -116.9 | -179.9 | -176.2 | 179.6 | 0 | 115.5 | ||
| 910 | T | 37.5 | Very low | 51.9 | Low | 129 Ų | 129 | 109.7 Ų | 109.7 | 79% | 0.791 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -150.8 | 12.4 | -178.2 | 47.4 | 0 | 0 | 0 | 0 | 118 | ||
| 911 | F | 39.7 | Very low | 53.1 | Low | 172 Ų | 172 | 106.8 Ų | 106.8 | 75% | 0.754 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -139.3 | -2.9 | -173.6 | -109.3 | -90.4 | 0 | 0 | 0 | 118.7 | ||
| 912 | Y | 43.1 | Very low | 54.5 | Low | 126 Ų | 126 | 104.9 Ų | 104.9 | 49% | 0.494 | 55% | 0.553 | S | S | . | * | trans | -130.4 | 47 | -169.8 | -72.3 | -81.1 | 0 | 0 | 0 | 115 | T908 H914 | T908-Y912 HydrophobicContact CG2-CD2 3.85Å; T908-Y912 HydrophobicContact CG2-CE2 3.89Å; Y912-H914 PolarHBondContact O-N 3.11Å | ||
| 913 | D | 36.6 | Very low | 56.1 | Low | 152 Ų | 152 | 102.1 Ų | 102.1 | 81% | 0.813 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -80.9 | -1.1 | -176.5 | -84.2 | -14.6 | 0 | 0 | 0 | 115.6 | ||
| 914 | H | 47.1 | Very low | 57.6 | Low | 175 Ų | 175 | 97.8 Ų | 97.8 | 81% | 0.81 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -134.9 | 7.4 | -172.2 | -64.9 | -36.7 | 0 | 0 | 0 | 118.1 | Y912 | Y912-H914 PolarHBondContact O-N 3.11Š|
| 915 | V | 50.7 | Low | 59.5 | Low | 86 Ų | 86 | 93.2 Ų | 93.2 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | trans | -119.9 | 82 | -178.7 | -170.2 | 0 | 0 | 0 | 0 | 110.6 | N917 | V915-N917 VanDerWaalsContact C-N 3.31Š| ||
| 916 | T | 56.5 | Low | 61.4 | Low | 138 Ų | 138 | 87.7 Ų | 87.7 | 85% | 0.847 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -77 | -13.2 | 175.9 | 37 | 0 | 0 | 0 | 0 | 113.5 | ||
| 917 | N | 65.2 | Low | 63.4 | Low | 29 Ų | 29 | 82.7 Ų | 82.7 | 16% | 0.155 | 41% | 0.413 | C | S | . | . | trans | -142.8 | 114.9 | -178.1 | -170.4 | -18.7 | 0 | 0 | 0 | 113.1 | V915 Y919 L920 P997 | V915-N917 VanDerWaalsContact C-N 3.31Å; N917-Y919 PolarHBondContact O-N 3.12Å; N917-Y919 PolarHBondContact OD1-N 3.04Å; N917-L920 HydrophobicContact CB-CD1 4.38Å; N917-L920 HydrophobicContact CB-CG 4.24Å; N917-L920 WeakPolarHBondContact O-CD1 3.24Å; N917-P997 VanDerWaalsContact OD1-CB 3.32Å; N917-P997 WeakPolarHBondContact OD1-CB 3.23Å | ||
| 918 | P | 69.9 | Low | 65.6 | Low | 36 Ų | 36 | 74.7 Ų | 74.7 | 23% | 0.234 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.3 | 179.6 | 23.5 | -30.1 | 0 | 0 | 0 | 114.4 | P894 | P894-P918 VanDerWaalsContact CD-O 3.26Å; P894-P918 WeakPolarHBondContact CD-O 3.48Å; P894-P918 HydrophobicContact CG-CB 3.58Å; P894-P918 WeakPolarHBondContact CG-O 3.37Å |
| 919 | Y | 77 | Confident | 68 | Low | 18 Ų | 18 | 71.1 Ų | 71.1 | 7% | 0.071 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 11.1 | -173 | -61.1 | -82.4 | 0 | 0 | 0 | 115 | V893 E899 N917 K921 L922 H923 I956 P997 | V893-Y919 HydrophobicContact CG1-CD1 4.2Å; V893-Y919 HydrophobicContact CG1-CE1 3.78Å; E899-Y919 PolarHBondContact OE1-OH 3.07Å; N917-Y919 PolarHBondContact O-N 3.12Å; N917-Y919 PolarHBondContact OD1-N 3.04Å; Y919-K921 VanDerWaalsContact C-N 3.34Å; Y919-K921 PolarHBondContact O-N 2.96Å; Y919-L922 HydrophobicContact CD1-CD2 4.12Å; Y919-L922 WeakPolarHBondContact O-CB 3.43Å; Y919-L922 PolarHBondContact O-N 3.36Å; Y919-H923 PolarHBondContact O-CD2 3.31Å; Y919-H923 VanDerWaalsContact O-CG 3.29Å; Y919-H923 PolarHBondContact O-N 3.47Å; Y919-I956 HydrophobicContact CE1-CG2 4.08Å; Y919-P997 HydrophobicContact CD2-CB 3.56Å; Y919-P997 HydrophobicContact CE2-CB 4.06Å |
| 920 | L | 80 | Confident | 70.7 | Confident | 74 Ų | 74 | 61.2 Ų | 61.2 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.3 | -40.9 | -176.9 | -81.6 | 158.2 | 0 | 0 | 0 | 113.9 | I862 N917 H923 G924 | I862-L920 HydrophobicContact CD1-CB 4.47Å; N917-L920 HydrophobicContact CB-CD1 4.38Å; N917-L920 HydrophobicContact CB-CG 4.24Å; N917-L920 WeakPolarHBondContact O-CD1 3.24Å; L920-H923 PolarHBondContact O-N 3.08Å; L920-G924 PolarHBondContact O-N 3.46Å |
| 921 | K | 82.6 | Confident | 73.2 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 34% | 0.335 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 177.8 | -68.6 | -172.3 | -179.9 | -166.1 | 0 | 111.4 | E852 I862 L892 Y919 H923 G924 F925 | E852-K921 IonicContact OE1-NZ 3.1Å; E852-K921 PolarHBondContact OE1-NZ 2.88Å; I862-K921 HydrophobicContact CD1-CG 4.19Å; L892-K921 HydrophobicContact CD2-CB 4.49Å; Y919-K921 VanDerWaalsContact C-N 3.34Å; Y919-K921 PolarHBondContact O-N 2.96Å; K921-H923 VanDerWaalsContact C-N 3.34Å; K921-H923 PolarHBondContact O-N 3.04Å; K921-G924 PolarHBondContact O-N 3.45Å; K921-F925 PolarHBondContact O-N 3.29Å |
| 922 | L | 85.5 | Confident | 75.7 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.5 | -179.1 | 66.9 | 0 | 0 | 0 | 111.6 | L892 V893 Y919 F925 L926 L949 T1001 | L892-L922 HydrophobicContact CB-CD1 4.38Å; L892-L922 HydrophobicContact CD1-CD1 4.39Å; V893-L922 HydrophobicContact CG2-CD1 4.49Å; V893-L922 HydrophobicContact CG2-CD2 4.07Å; Y919-L922 HydrophobicContact CD1-CD2 4.12Å; Y919-L922 WeakPolarHBondContact O-CB 3.43Å; Y919-L922 PolarHBondContact O-N 3.36Å; L922-F925 PolarHBondContact O-N 2.91Å; L922-L926 HydrophobicContact CD1-CD1 4.44Å; L922-L926 HydrophobicContact CG-CD1 4.16Å; L922-L926 WeakPolarHBondContact O-CG 3.32Å; L922-L926 PolarHBondContact O-N 3.35Å; L922-L949 HydrophobicContact CD1-CD1 3.75Å; L922-L949 HydrophobicContact CD1-CD2 4.44Å; L922-L949 HydrophobicContact CD1-CG 4.23Å; L922-T1001 HydrophobicContact CD2-CG2 3.54Å; L922-T1001 HydrophobicContact CG-CG2 4.46Å |
| 923 | H | 85.9 | Confident | 78 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.06 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 178.2 | -64.7 | 174.8 | 0 | 0 | 0 | 111.9 | Y919 L920 K921 L926 R927 V1000 T1001 L1004 | Y919-H923 PolarHBondContact O-CD2 3.31Å; Y919-H923 VanDerWaalsContact O-CG 3.29Å; Y919-H923 PolarHBondContact O-N 3.47Å; L920-H923 PolarHBondContact O-N 3.08Å; K921-H923 VanDerWaalsContact C-N 3.34Å; K921-H923 PolarHBondContact O-N 3.04Å; H923-L926 PolarHBondContact O-N 2.91Å; H923-R927 WeakPolarHBondContact O-CG 3.36Å; H923-R927 PolarHBondContact O-N 3.03Å; H923-V1000 VanDerWaalsContact CE1-CG1 3.45Å; H923-V1000 WeakPolarHBondContact CE1-CG1 3.4Å; H923-T1001 PolarHBondContact NE2-OG1 3.08Å; H923-L1004 HydrophobicContact CB-CD1 3.74Å |
| 924 | G | 85.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | L861 L920 K921 R927 Y928 | L861-G924 VanDerWaalsContact O-CA 3.31Å; L861-G924 WeakPolarHBondContact O-CA 3.44Å; L920-G924 PolarHBondContact O-N 3.46Å; K921-G924 PolarHBondContact O-N 3.45Å; G924-R927 PolarHBondContact O-N 3.46Å; G924-Y928 PolarHBondContact O-N 3.29Å; G924-Y928 VanDerWaalsContact O-N 3.13Å |
| 925 | F | 89.3 | Confident | 82.3 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 178 | -167 | -103.9 | 0 | 0 | 0 | 113.3 | L861 I889 L892 K921 L922 R927 Y928 I929 C945 L949 | L861-F925 HydrophobicContact CD1-CB 4.44Å; L861-F925 HydrophobicContact CD1-CD2 4.02Å; L861-F925 HydrophobicContact CD2-CD2 4.19Å; I889-F925 HydrophobicContact CD1-CZ 4.46Å; I889-F925 HydrophobicContact CG1-CE1 4.42Å; I889-F925 HydrophobicContact CG1-CZ 4.02Å; L892-F925 HydrophobicContact CD1-CB 4.04Å; L892-F925 HydrophobicContact CD1-CD1 3.53Å; L892-F925 HydrophobicContact CD1-CD2 4.41Å; L892-F925 HydrophobicContact CD1-CE1 4Å; L892-F925 HydrophobicContact CD1-CG 3.74Å; L892-F925 HydrophobicContact CD2-CB 3.92Å; L892-F925 HydrophobicContact CD2-CD2 4.43Å; L892-F925 HydrophobicContact CD2-CG 4.15Å; K921-F925 PolarHBondContact O-N 3.29Å; L922-F925 PolarHBondContact O-N 2.91Å; F925-R927 VanDerWaalsContact C-N 3.35Å; F925-R927 PolarHBondContact O-N 3.5Å; F925-Y928 HydrophobicContact CE2-CD1 4.41Å; F925-Y928 WeakPolarHBondContact O-CB 3.37Å; F925-Y928 PolarHBondContact O-N 2.89Å; F925-I929 HydrophobicContact CD1-CD1 3.89Å; F925-I929 HydrophobicContact CE1-CD1 3.64Å; F925-I929 HydrophobicContact CE1-CG1 4.32Å; F925-I929 HydrophobicContact CZ-CD1 4.46Å; F925-I929 PolarHBondContact O-N 3.26Å; F925-I929 VanDerWaalsContact O-N 3.11Å; F925-C945 HydrophobicContact CE1-CB 4.22Å; F925-C945 HydrophobicContact CZ-CB 3.97Å; F925-L949 HydrophobicContact CD1-CD1 3.6Å; F925-L949 HydrophobicContact CE1-CD1 3.94Å |
| 926 | L | 88.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -37.6 | 174.2 | -73 | 169.6 | 0 | 0 | 0 | 112 | L922 H923 Y928 I929 I930 L949 T1001 L1004 I1005 | L922-L926 HydrophobicContact CD1-CD1 4.44Å; L922-L926 HydrophobicContact CG-CD1 4.16Å; L922-L926 WeakPolarHBondContact O-CG 3.32Å; L922-L926 PolarHBondContact O-N 3.35Å; H923-L926 PolarHBondContact O-N 2.91Å; L926-Y928 VanDerWaalsContact C-N 3.33Å; L926-Y928 PolarHBondContact O-N 3.48Å; L926-I929 PolarHBondContact O-N 3.03Å; L926-I930 WeakPolarHBondContact O-CD1 3.47Å; L926-I930 VanDerWaalsContact O-CG1 3.24Å; L926-I930 WeakPolarHBondContact O-CG1 3.33Å; L926-I930 PolarHBondContact O-N 3.02Å; L926-L949 HydrophobicContact CD2-CD1 4.04Å; L926-L949 HydrophobicContact CD2-CD2 4.32Å; L926-L949 HydrophobicContact CG-CD1 4.44Å; L926-T1001 HydrophobicContact CD1-CG2 4.32Å; L926-L1004 HydrophobicContact CB-CB 4.02Å; L926-L1004 HydrophobicContact CB-CD1 4.31Å; L926-L1004 HydrophobicContact CD1-CB 3.78Å; L926-L1004 HydrophobicContact CD1-CD1 4.37Å; L926-I1005 HydrophobicContact CD1-CG1 3.84Å; L926-I1005 HydrophobicContact CD2-CG1 4.02Å |
| 927 | R | 88.9 | Confident | 85.6 | Confident | 50 Ų | 50 | 26.1 Ų | 26.1 | 19% | 0.189 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 172.8 | -73.9 | 175.1 | -178.4 | 173.8 | -1 | 112 | F870 H923 G924 F925 I930 N931 I984 L1004 | F870-R927 HydrophobicContact CZ-CB 4.36Å; H923-R927 WeakPolarHBondContact O-CG 3.36Å; H923-R927 PolarHBondContact O-N 3.03Å; G924-R927 PolarHBondContact O-N 3.46Å; F925-R927 VanDerWaalsContact C-N 3.35Å; F925-R927 PolarHBondContact O-N 3.5Å; R927-I930 PolarHBondContact O-N 3.29Å; R927-N931 WeakPolarHBondContact O-CB 3.47Å; R927-N931 PolarHBondContact O-N 3.44Å; R927-I984 PolarHBondContact NH2-O 2.88Å; R927-L1004 HydrophobicContact CG-CD2 4.4Å |
| 928 | Y | 91.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 173.5 | 162.8 | -102.1 | 0 | 0 | 0 | 112.4 | F870 I873 L877 G924 F925 L926 I930 N931 R932 | F870-Y928 HydrophobicContact CB-CD2 4.3Å; F870-Y928 AromaticContact CD1-CD2 3.95Å; F870-Y928 HydrophobicContact CD1-CD2 3.95Å; F870-Y928 HydrophobicContact CD1-CG 4.44Å; I873-Y928 HydrophobicContact CB-CD2 4.5Å; I873-Y928 HydrophobicContact CG2-CD2 4.04Å; I873-Y928 HydrophobicContact CG2-CE2 4.15Å; I873-Y928 HydrophobicContact CG2-CG 4.48Å; L877-Y928 HydrophobicContact CD1-CD1 4.24Å; L877-Y928 HydrophobicContact CD1-CE1 3.54Å; L877-Y928 HydrophobicContact CD1-CE2 4.33Å; G924-Y928 PolarHBondContact O-N 3.29Å; G924-Y928 VanDerWaalsContact O-N 3.13Å; F925-Y928 HydrophobicContact CE2-CD1 4.41Å; F925-Y928 WeakPolarHBondContact O-CB 3.37Å; F925-Y928 PolarHBondContact O-N 2.89Å; L926-Y928 VanDerWaalsContact C-N 3.33Å; L926-Y928 PolarHBondContact O-N 3.48Å; Y928-I930 VanDerWaalsContact C-N 3.34Å; Y928-I930 PolarHBondContact O-N 3.17Å; Y928-N931 WeakPolarHBondContact O-CB 3.35Å; Y928-N931 PolarHBondContact O-N 3.23Å; Y928-R932 HydrophobicContact CD2-CG 4.24Å; Y928-R932 HydrophobicContact CE1-CG 4.26Å; Y928-R932 HydrophobicContact CE2-CG 3.71Å; Y928-R932 WeakPolarHBondContact O-CG 3.19Å; Y928-R932 PolarHBondContact O-N 2.93Å |
| 929 | I | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 178.3 | -68.8 | 174.4 | 0 | 0 | 0 | 111.1 | F925 L926 N931 R932 F933 C945 L946 A1008 | F925-I929 HydrophobicContact CD1-CD1 3.89Å; F925-I929 HydrophobicContact CE1-CD1 3.64Å; F925-I929 HydrophobicContact CE1-CG1 4.32Å; F925-I929 HydrophobicContact CZ-CD1 4.46Å; F925-I929 PolarHBondContact O-N 3.26Å; F925-I929 VanDerWaalsContact O-N 3.11Å; L926-I929 PolarHBondContact O-N 3.03Å; I929-N931 VanDerWaalsContact C-N 3.32Å; I929-N931 PolarHBondContact O-N 3.04Å; I929-R932 PolarHBondContact O-N 3.16Å; I929-F933 HydrophobicContact CG2-CD2 3.76Å; I929-F933 HydrophobicContact CG2-CE2 3.27Å; I929-F933 HydrophobicContact CG2-CZ 4.02Å; I929-F933 WeakPolarHBondContact O-CD2 3.34Å; I929-F933 PolarHBondContact O-N 3.46Å; I929-F933 VanDerWaalsContact O-N 3.12Å; I929-C945 HydrophobicContact CD1-CB 4.2Å; I929-L946 HydrophobicContact CD1-CB 4.29Å; I929-L946 HydrophobicContact CD1-CD1 4.47Å; I929-L946 HydrophobicContact CG2-CB 4.35Å; I929-A1008 HydrophobicContact CG2-CB 4.44Å |
| 930 | I | 90.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.8 | -67.4 | 163.2 | 0 | 0 | 0 | 110.3 | L926 R927 Y928 R932 F933 Q934 Y981 L1004 Q1007 A1008 T1011 | L926-I930 WeakPolarHBondContact O-CD1 3.47Å; L926-I930 VanDerWaalsContact O-CG1 3.24Å; L926-I930 WeakPolarHBondContact O-CG1 3.33Å; L926-I930 PolarHBondContact O-N 3.02Å; R927-I930 PolarHBondContact O-N 3.29Å; Y928-I930 VanDerWaalsContact C-N 3.34Å; Y928-I930 PolarHBondContact O-N 3.17Å; I930-R932 PolarHBondContact O-N 3.27Å; I930-F933 PolarHBondContact O-N 2.96Å; I930-Q934 HydrophobicContact CG2-CG 4.3Å; I930-Q934 WeakPolarHBondContact O-CG 3.36Å; I930-Q934 PolarHBondContact O-N 3.38Å; I930-Y981 HydrophobicContact CD1-CE2 3.92Å; I930-L1004 HydrophobicContact CD1-CD2 4.18Å; I930-Q1007 HydrophobicContact CD1-CB 4.07Å; I930-Q1007 HydrophobicContact CD1-CG 4.08Å; I930-Q1007 HydrophobicContact CG2-CG 4.35Å; I930-A1008 HydrophobicContact CD1-CB 4.49Å; I930-A1008 HydrophobicContact CG1-CB 3.79Å; I930-T1011 HydrophobicContact CG2-CG2 4.14Å |
| 931 | N | 91.1 | Very high | 88.9 | Confident | 10 Ų | 10 | 21.6 Ų | 21.6 | 5% | 0.053 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 177.8 | -178.1 | -99 | 0 | 0 | 0 | 111.9 | N867 F870 R927 Y928 I929 F933 Q934 S935 | N867-N931 PolarHBondContact OD1-ND2 3.32Å; F870-N931 HydrophobicContact CB-CB 4.49Å; F870-N931 VanDerWaalsContact CB-OD1 3.31Å; F870-N931 WeakPolarHBondContact CB-OD1 3.2Å; F870-N931 HydrophobicContact CD1-CB 4.49Å; F870-N931 HydrophobicContact CD2-CB 3.71Å; F870-N931 WeakPolarHBondContact CD2-ND2 3.5Å; F870-N931 WeakPolarHBondContact CD2-OD1 3.42Å; F870-N931 HydrophobicContact CE2-CB 3.98Å; F870-N931 HydrophobicContact CG-CB 4Å; F870-N931 HydrophobicContact CZ-CB 4.47Å; R927-N931 WeakPolarHBondContact O-CB 3.47Å; R927-N931 PolarHBondContact O-N 3.44Å; Y928-N931 WeakPolarHBondContact O-CB 3.35Å; Y928-N931 PolarHBondContact O-N 3.23Å; I929-N931 VanDerWaalsContact C-N 3.32Å; I929-N931 PolarHBondContact O-N 3.04Å; N931-F933 VanDerWaalsContact C-N 3.34Å; N931-F933 PolarHBondContact O-N 2.81Å; N931-Q934 PolarHBondContact O-N 3.32Å; N931-Q934 VanDerWaalsContact O-N 3.13Å; N931-S935 WeakPolarHBondContact O-CB 3.37Å; N931-S935 PolarHBondContact O-N 3.39Å; N931-S935 PolarHBondContact O-OG 3.4Å; N931-S935 VanDerWaalsContact O-OG 3.13Å |
| 932 | R | 90.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 178.3 | -67.3 | -58.4 | 102.2 | 176.9 | 0.2 | 112.6 | F870 D871 Y928 I929 I930 S935 N936 R937 D938 A942 | F870-R932 VanDerWaalsContact C-NH2 3.28Å; D871-R932 IonicContact OD1-CZ 3.38Å; D871-R932 IonicContact OD1-NH1 3.22Å; D871-R932 PolarHBondContact OD1-NH1 2.93Å; D871-R932 IonicContact OD1-NH2 3.81Å; D871-R932 PolarHBondContact OD1-NH2 3.28Å; Y928-R932 HydrophobicContact CD2-CG 4.24Å; Y928-R932 HydrophobicContact CE1-CG 4.26Å; Y928-R932 HydrophobicContact CE2-CG 3.71Å; Y928-R932 WeakPolarHBondContact O-CG 3.19Å; Y928-R932 PolarHBondContact O-N 2.93Å; I929-R932 PolarHBondContact O-N 3.16Å; I930-R932 PolarHBondContact O-N 3.27Å; R932-S935 PolarHBondContact O-OG 3.11Å; R932-N936 PolarHBondContact O-N 3.41Å; R932-N936 VanDerWaalsContact O-N 3.13Å; R932-R937 WeakPolarHBondContact CB-O 3.46Å; R932-R937 PolarHBondContact O-N 2.94Å; R932-D938 IonicContact NH1-OD2 2.74Å; R932-D938 PolarHBondContact NH1-OD2 3.18Å; R932-A942 HydrophobicContact CB-CB 3.78Å; R932-A942 HydrophobicContact CG-CB 4.42Å |
| 933 | F | 91.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.5 | -34.8 | 175.1 | -68 | -40.9 | 0 | 0 | 0 | 113.1 | I929 I930 N931 N936 F939 A942 L946 K1012 | I929-F933 HydrophobicContact CG2-CD2 3.76Å; I929-F933 HydrophobicContact CG2-CE2 3.27Å; I929-F933 HydrophobicContact CG2-CZ 4.02Å; I929-F933 WeakPolarHBondContact O-CD2 3.34Å; I929-F933 PolarHBondContact O-N 3.46Å; I929-F933 VanDerWaalsContact O-N 3.12Å; I930-F933 PolarHBondContact O-N 2.96Å; N931-F933 VanDerWaalsContact C-N 3.34Å; N931-F933 PolarHBondContact O-N 2.81Å; F933-N936 PolarHBondContact O-OD1 3.35Å; F933-F939 AromaticContact CD1-CD2 3.69Å; F933-F939 HydrophobicContact CD1-CD2 3.69Å; F933-F939 AromaticContact CD1-CE2 3.71Å; F933-F939 HydrophobicContact CD1-CE2 3.71Å; F933-F939 AromaticContact CE1-CD2 3.94Å; F933-F939 HydrophobicContact CE1-CD2 3.94Å; F933-F939 AromaticContact CE1-CE2 3.86Å; F933-F939 HydrophobicContact CE1-CE2 3.86Å; F933-A942 HydrophobicContact CD1-CB 4.11Å; F933-A942 HydrophobicContact CE1-CB 3.6Å; F933-A942 HydrophobicContact CZ-CB 3.84Å; F933-L946 HydrophobicContact CE2-CD2 4.1Å; F933-L946 HydrophobicContact CZ-CD2 4.4Å; F933-K1012 HydrophobicContact CD1-CB 4.42Å; F933-K1012 HydrophobicContact CD2-CB 3.97Å; F933-K1012 HydrophobicContact CE1-CB 4.35Å; F933-K1012 HydrophobicContact CE1-CG 4.22Å; F933-K1012 HydrophobicContact CE2-CB 3.87Å; F933-K1012 HydrophobicContact CE2-CD 4.4Å; F933-K1012 HydrophobicContact CE2-CG 4.37Å; F933-K1012 HydrophobicContact CG-CB 4.26Å; F933-K1012 HydrophobicContact CZ-CB 4.08Å; F933-K1012 HydrophobicContact CZ-CD 4.02Å; F933-K1012 HydrophobicContact CZ-CG 4.08Å |
| 934 | Q | 88.4 | Confident | 89.9 | Confident | 102 Ų | 102 | 19 Ų | 19 | 48% | 0.477 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -72.2 | -37.8 | 176.4 | -73.1 | 176.5 | -11.6 | 0 | 0 | 112.4 | I930 N931 N936 T1011 | I930-Q934 HydrophobicContact CG2-CG 4.3Å; I930-Q934 WeakPolarHBondContact O-CG 3.36Å; I930-Q934 PolarHBondContact O-N 3.38Å; N931-Q934 PolarHBondContact O-N 3.32Å; N931-Q934 VanDerWaalsContact O-N 3.13Å; Q934-N936 VanDerWaalsContact C-N 3.27Å; Q934-N936 PolarHBondContact O-N 2.91Å; Q934-T1011 HydrophobicContact CG-CG2 3.86Å |
| 935 | S | 87 | Confident | 90.1 | Very high | 27 Ų | 27 | 18.9 Ų | 18.9 | 19% | 0.189 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -80.2 | -6.3 | 178.6 | 67 | 0 | 0 | 0 | 0 | 113.7 | N931 R932 R937 | N931-S935 WeakPolarHBondContact O-CB 3.37Å; N931-S935 PolarHBondContact O-N 3.39Å; N931-S935 PolarHBondContact O-OG 3.4Å; N931-S935 VanDerWaalsContact O-OG 3.13Å; R932-S935 PolarHBondContact O-OG 3.11Å; S935-R937 PolarHBondContact O-N 2.91Å |
| 936 | N | 88.5 | Confident | 90.2 | Very high | 17 Ų | 17 | 19 Ų | 19 | 9% | 0.091 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 34 | -172.6 | -58.6 | -51 | 0 | 0 | 0 | 113.3 | C751 T755 R932 F933 Q934 | C751-N936 PolarHBondContact O-ND2 3.42Å; T755-N936 PolarHBondContact N-O 2.78Å; T755-N936 PolarHBondContact OG1-O 3.2Å; R932-N936 PolarHBondContact O-N 3.41Å; R932-N936 VanDerWaalsContact O-N 3.13Å; F933-N936 PolarHBondContact O-OD1 3.35Å; Q934-N936 VanDerWaalsContact C-N 3.27Å; Q934-N936 PolarHBondContact O-N 2.91Å |
| 937 | R | 87.9 | Confident | 90.2 | Very high | 81 Ų | 81 | 23.2 Ų | 23.2 | 31% | 0.306 | 11% | 0.11 | S | C | . | . | trans | -115.8 | 147.7 | 179.5 | -68.3 | -178.1 | 176.6 | -179.7 | -5.6 | 110.7 | T755 D871 R932 S935 F939 | T755-R937 WeakPolarHBondContact OG1-CA 3.35Å; D871-R937 IonicContact OD1-NH1 3.08Å; D871-R937 IonicContact OD2-NH1 2.89Å; D871-R937 PolarHBondContact OD2-NH1 3.04Å; R932-R937 WeakPolarHBondContact CB-O 3.46Å; R932-R937 PolarHBondContact O-N 2.94Å; S935-R937 PolarHBondContact O-N 2.91Å; R937-F939 PolarHBondContact O-N 3.32Å; R937-F939 VanDerWaalsContact O-N 3.16Å | ||
| 938 | D | 89.6 | Confident | 90.2 | Very high | 10 Ų | 10 | 21 Ų | 21 | 5% | 0.053 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 51.9 | 38.7 | 176.5 | -51.5 | -39.6 | 0 | 0 | 0 | 112.4 | T755 S757 S874 K878 R932 D940 L941 A942 | T755-D938 PolarHBondContact O-N 2.92Å; S757-D938 WeakPolarHBondContact CA-OD1 3.49Å; S874-D938 PolarHBondContact OG-OD2 2.95Å; K878-D938 VanDerWaalsContact CE-CG 3.43Å; K878-D938 WeakPolarHBondContact CE-OD1 3.35Å; K878-D938 IonicContact NZ-OD1 3.03Å; K878-D938 PolarHBondContact NZ-OD1 3.36Å; K878-D938 IonicContact NZ-OD2 3.08Å; R932-D938 IonicContact NH1-OD2 2.74Å; R932-D938 PolarHBondContact NH1-OD2 3.18Å; D938-D940 VanDerWaalsContact C-N 3.3Å; D938-D940 PolarHBondContact O-N 3.38Å; D938-L941 HydrophobicContact CB-CB 4.3Å; D938-L941 PolarHBondContact O-N 2.94Å; D938-A942 WeakPolarHBondContact O-CB 3.39Å; D938-A942 PolarHBondContact O-N 3.08Å |
| 939 | F | 89.7 | Confident | 90.1 | Very high | 26 Ų | 26 | 21.1 Ų | 21.1 | 11% | 0.114 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63 | -37.2 | -167.9 | -179.2 | -92.3 | 0 | 0 | 0 | 112.9 | L754 T755 F933 R937 C943 A1015 | L754-F939 HydrophobicContact CD1-CB 4.08Å; L754-F939 HydrophobicContact CD1-CD1 3.8Å; L754-F939 HydrophobicContact CD1-CD2 3.51Å; L754-F939 HydrophobicContact CD1-CE1 4.07Å; L754-F939 HydrophobicContact CD1-CE2 3.81Å; L754-F939 HydrophobicContact CD1-CG 3.51Å; L754-F939 HydrophobicContact CD1-CZ 4.08Å; L754-F939 HydrophobicContact CD2-CB 3.62Å; L754-F939 HydrophobicContact CD2-CD1 3.93Å; L754-F939 HydrophobicContact CD2-CG 3.81Å; L754-F939 HydrophobicContact CG-CB 3.73Å; L754-F939 HydrophobicContact CG-CD1 4.25Å; L754-F939 HydrophobicContact CG-CD2 4.08Å; L754-F939 HydrophobicContact CG-CG 3.76Å; T755-F939 PolarHBondContact O-N 3Å; F933-F939 AromaticContact CD1-CD2 3.69Å; F933-F939 HydrophobicContact CD1-CD2 3.69Å; F933-F939 AromaticContact CD1-CE2 3.71Å; F933-F939 HydrophobicContact CD1-CE2 3.71Å; F933-F939 AromaticContact CE1-CD2 3.94Å; F933-F939 HydrophobicContact CE1-CD2 3.94Å; F933-F939 AromaticContact CE1-CE2 3.86Å; F933-F939 HydrophobicContact CE1-CE2 3.86Å; R937-F939 PolarHBondContact O-N 3.32Å; R937-F939 VanDerWaalsContact O-N 3.16Å; F939-C943 WeakPolarHBondContact CE1-SG 3.33Å; F939-C943 WeakPolarHBondContact O-CB 3.47Å; F939-C943 PolarHBondContact O-N 3.41Å; F939-C943 PolarHBondContact O-SG 2.93Å; F939-A1015 HydrophobicContact CD2-CB 4.35Å; F939-A1015 HydrophobicContact CE2-CB 3.81Å |
| 940 | D | 90.6 | Very high | 89.9 | Confident | 27 Ų | 27 | 24.2 Ų | 24.2 | 14% | 0.144 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.9 | -51.5 | 173.2 | 51.9 | -13.6 | 0 | 0 | 0 | 111.9 | L756 S757 F764 D938 A942 C943 I944 | L756-D940 HydrophobicContact CD2-CB 4.13Å; S757-D940 WeakPolarHBondContact CB-OD1 3.35Å; S757-D940 PolarHBondContact N-OD1 3.46Å; S757-D940 PolarHBondContact N-OD2 3.4Å; S757-D940 PolarHBondContact OG-OD1 3.33Å; S757-D940 PolarHBondContact OG-OD2 3.41Å; F764-D940 HydrophobicContact CE2-CB 4.09Å; F764-D940 WeakPolarHBondContact CE2-OD2 3.44Å; F764-D940 HydrophobicContact CZ-CB 4.1Å; F764-D940 WeakPolarHBondContact CZ-OD2 3.34Å; D938-D940 VanDerWaalsContact C-N 3.3Å; D938-D940 PolarHBondContact O-N 3.38Å; D940-A942 PolarHBondContact O-N 3.47Å; D940-C943 PolarHBondContact O-N 3.37Å; D940-I944 WeakPolarHBondContact O-CG1 3.31Å; D940-I944 PolarHBondContact O-N 3.3Å |
| 941 | L | 91.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | 177.7 | -179.6 | 64.3 | 0 | 0 | 0 | 110.9 | I759 F764 K878 L885 D938 C943 I944 C945 | I759-L941 HydrophobicContact CD1-CD1 4.45Å; F764-L941 HydrophobicContact CE1-CB 4.22Å; F764-L941 HydrophobicContact CE1-CD1 4.01Å; F764-L941 HydrophobicContact CZ-CB 4.33Å; K878-L941 HydrophobicContact CG-CD2 4.22Å; L885-L941 HydrophobicContact CD2-CD1 4.24Å; D938-L941 HydrophobicContact CB-CB 4.3Å; D938-L941 PolarHBondContact O-N 2.94Å; L941-C943 PolarHBondContact O-N 3.29Å; L941-I944 PolarHBondContact O-N 3.44Å; L941-C945 WeakPolarHBondContact O-CB 3.49Å; L941-C945 PolarHBondContact O-N 3.36Å; L941-C945 PolarHBondContact O-SG 3.07Å |
| 942 | A | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R932 F933 D938 D940 L946 | R932-A942 HydrophobicContact CB-CB 3.78Å; R932-A942 HydrophobicContact CG-CB 4.42Å; F933-A942 HydrophobicContact CD1-CB 4.11Å; F933-A942 HydrophobicContact CE1-CB 3.6Å; F933-A942 HydrophobicContact CZ-CB 3.84Å; D938-A942 WeakPolarHBondContact O-CB 3.39Å; D938-A942 PolarHBondContact O-N 3.08Å; D940-A942 PolarHBondContact O-N 3.47Å; A942-L946 WeakPolarHBondContact O-CB 3.43Å; A942-L946 PolarHBondContact O-N 3.48Å |
| 943 | C | 91.3 | Very high | 88.9 | Confident | 20 Ų | 20 | 32 Ų | 32 | 14% | 0.135 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 175 | -79.1 | 0 | 0 | 0 | 0 | 112.2 | F939 D940 L941 L946 E947 | F939-C943 WeakPolarHBondContact CE1-SG 3.33Å; F939-C943 WeakPolarHBondContact O-CB 3.47Å; F939-C943 PolarHBondContact O-N 3.41Å; F939-C943 PolarHBondContact O-SG 2.93Å; D940-C943 PolarHBondContact O-N 3.37Å; L941-C943 PolarHBondContact O-N 3.29Å; C943-L946 PolarHBondContact O-N 3.49Å; C943-E947 PolarHBondContact O-N 3.45Å |
| 944 | I | 90.5 | Very high | 88.3 | Confident | 19 Ų | 19 | 34.3 Ų | 34.3 | 10% | 0.097 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.6 | -40.6 | -176.9 | -68.9 | 164.9 | 0 | 0 | 0 | 111 | F764 L767 L768 D940 L941 L946 E947 I948 | F764-I944 HydrophobicContact CB-CD1 3.42Å; F764-I944 VanDerWaalsContact CB-CD1 3.42Å; F764-I944 HydrophobicContact CD1-CD1 3.12Å; F764-I944 HydrophobicContact CD1-CG1 4.39Å; F764-I944 HydrophobicContact CD2-CD1 4.15Å; F764-I944 HydrophobicContact CE1-CD1 3.84Å; F764-I944 HydrophobicContact CG-CD1 3.29Å; L767-I944 HydrophobicContact CD2-CG2 3.81Å; L768-I944 HydrophobicContact CD1-CG1 4.44Å; L768-I944 HydrophobicContact CD2-CG2 4.01Å; L768-I944 HydrophobicContact CG-CG2 4.06Å; D940-I944 WeakPolarHBondContact O-CG1 3.31Å; D940-I944 PolarHBondContact O-N 3.3Å; L941-I944 PolarHBondContact O-N 3.44Å; I944-L946 VanDerWaalsContact C-N 3.29Å; I944-L946 PolarHBondContact O-N 2.93Å; I944-E947 PolarHBondContact O-N 3.04Å; I944-I948 HydrophobicContact CG2-CD1 3.67Å; I944-I948 HydrophobicContact CG2-CG1 4.29Å; I944-I948 VanDerWaalsContact O-CG1 3.31Å; I944-I948 WeakPolarHBondContact O-CG1 3.45Å; I944-I948 PolarHBondContact O-N 2.88Å |
| 945 | C | 90.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 173 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | F925 I929 L941 L949 | F925-C945 HydrophobicContact CE1-CB 4.22Å; F925-C945 HydrophobicContact CZ-CB 3.97Å; I929-C945 HydrophobicContact CD1-CB 4.2Å; L941-C945 WeakPolarHBondContact O-CB 3.49Å; L941-C945 PolarHBondContact O-N 3.36Å; L941-C945 PolarHBondContact O-SG 3.07Å; C945-L949 WeakPolarHBondContact O-CB 3.4Å; C945-L949 PolarHBondContact O-N 3.21Å |
| 946 | L | 90.9 | Very high | 86.8 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.9 | -176.4 | 65.9 | 0 | 0 | 0 | 111.7 | I929 F933 A942 C943 I944 L949 L950 A1008 K1012 | I929-L946 HydrophobicContact CD1-CB 4.29Å; I929-L946 HydrophobicContact CD1-CD1 4.47Å; I929-L946 HydrophobicContact CG2-CB 4.35Å; F933-L946 HydrophobicContact CE2-CD2 4.1Å; F933-L946 HydrophobicContact CZ-CD2 4.4Å; A942-L946 WeakPolarHBondContact O-CB 3.43Å; A942-L946 PolarHBondContact O-N 3.48Å; C943-L946 PolarHBondContact O-N 3.49Å; I944-L946 VanDerWaalsContact C-N 3.29Å; I944-L946 PolarHBondContact O-N 2.93Å; L946-L949 PolarHBondContact O-N 3.38Å; L946-L950 HydrophobicContact CD1-CD1 4.45Å; L946-L950 HydrophobicContact CG-CD1 4.18Å; L946-L950 WeakPolarHBondContact O-CB 3.42Å; L946-L950 VanDerWaalsContact O-CG 3.24Å; L946-L950 WeakPolarHBondContact O-CG 3.46Å; L946-L950 PolarHBondContact O-N 2.93Å; L946-A1008 HydrophobicContact CD1-CB 4.4Å; L946-K1012 HydrophobicContact CD2-CD 4.19Å |
| 947 | E | 90 | Very high | 85.9 | Confident | 90 Ų | 90 | 33.8 Ų | 33.8 | 42% | 0.421 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.9 | -45.4 | 178.8 | -172 | 171.7 | 176.1 | 0 | 0 | 112.2 | L768 C943 I944 L950 Q951 | L768-E947 HydrophobicContact CD2-CG 4.39Å; C943-E947 PolarHBondContact O-N 3.45Å; I944-E947 PolarHBondContact O-N 3.04Å; E947-L950 PolarHBondContact O-N 3.49Å; E947-Q951 VanDerWaalsContact O-CG 3.31Å; E947-Q951 WeakPolarHBondContact O-CG 3.37Å; E947-Q951 PolarHBondContact O-N 3.46Å |
| 948 | I | 89 | Confident | 85 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 177.3 | -63.3 | 165.5 | 0 | 0 | 0 | 110.6 | L767 L768 I889 I944 L950 Q951 Q952 | L767-I948 HydrophobicContact CD1-CD1 4.35Å; L767-I948 HydrophobicContact CD2-CD1 3.56Å; L767-I948 HydrophobicContact CG-CD1 3.51Å; L768-I948 HydrophobicContact CD2-CG1 4.23Å; I889-I948 HydrophobicContact CB-CG2 4.4Å; I889-I948 HydrophobicContact CD1-CB 4.33Å; I889-I948 HydrophobicContact CD1-CD1 4.4Å; I889-I948 HydrophobicContact CD1-CG2 4.09Å; I889-I948 HydrophobicContact CG2-CG2 3.81Å; I944-I948 HydrophobicContact CG2-CD1 3.67Å; I944-I948 HydrophobicContact CG2-CG1 4.29Å; I944-I948 VanDerWaalsContact O-CG1 3.31Å; I944-I948 WeakPolarHBondContact O-CG1 3.45Å; I944-I948 PolarHBondContact O-N 2.88Å; I948-L950 VanDerWaalsContact C-N 3.3Å; I948-L950 PolarHBondContact O-N 2.6Å; I948-Q951 PolarHBondContact O-N 2.72Å; I948-Q952 HydrophobicContact CG2-CG 4.04Å; I948-Q952 WeakPolarHBondContact O-CB 3.4Å; I948-Q952 WeakPolarHBondContact O-CG 3.26Å; I948-Q952 PolarHBondContact O-N 2.94Å |
| 949 | L | 89 | Confident | 83.5 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 176.1 | -178.1 | 152.8 | 0 | 0 | 0 | 111.3 | I889 L892 L922 F925 L926 C945 L946 H953 | I889-L949 HydrophobicContact CG2-CB 4.45Å; L892-L949 HydrophobicContact CD1-CD1 4.14Å; L922-L949 HydrophobicContact CD1-CD1 3.75Å; L922-L949 HydrophobicContact CD1-CD2 4.44Å; L922-L949 HydrophobicContact CD1-CG 4.23Å; F925-L949 HydrophobicContact CD1-CD1 3.6Å; F925-L949 HydrophobicContact CE1-CD1 3.94Å; L926-L949 HydrophobicContact CD2-CD1 4.04Å; L926-L949 HydrophobicContact CD2-CD2 4.32Å; L926-L949 HydrophobicContact CG-CD1 4.44Å; C945-L949 WeakPolarHBondContact O-CB 3.4Å; C945-L949 PolarHBondContact O-N 3.21Å; L946-L949 PolarHBondContact O-N 3.38Å; L949-H953 PolarHBondContact O-N 3.38Å; L949-H953 VanDerWaalsContact O-N 3.1Å |
| 950 | L | 87 | Confident | 81.8 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.9 | -35.3 | 176.8 | -69.1 | 172.9 | 0 | 0 | 0 | 112.6 | L946 E947 I948 S954 L957 I1005 | L946-L950 HydrophobicContact CD1-CD1 4.45Å; L946-L950 HydrophobicContact CG-CD1 4.18Å; L946-L950 WeakPolarHBondContact O-CB 3.42Å; L946-L950 VanDerWaalsContact O-CG 3.24Å; L946-L950 WeakPolarHBondContact O-CG 3.46Å; L946-L950 PolarHBondContact O-N 2.93Å; E947-L950 PolarHBondContact O-N 3.49Å; I948-L950 VanDerWaalsContact C-N 3.3Å; I948-L950 PolarHBondContact O-N 2.6Å; L950-S954 VanDerWaalsContact O-CB 3.26Å; L950-S954 WeakPolarHBondContact O-CB 3.28Å; L950-S954 PolarHBondContact O-N 3Å; L950-L957 HydrophobicContact CD2-CD1 4.02Å; L950-I1005 HydrophobicContact CD2-CG2 4.47Å |
| 951 | Q | 86.1 | Confident | 79.9 | Confident | 100 Ų | 100 | 51.2 Ų | 51.2 | 47% | 0.467 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.1 | -46.4 | 176.3 | -75.3 | 175.9 | 3.1 | 0 | 0 | 111.8 | E947 I948 | E947-Q951 VanDerWaalsContact O-CG 3.31Å; E947-Q951 WeakPolarHBondContact O-CG 3.37Å; E947-Q951 PolarHBondContact O-N 3.46Å; I948-Q951 PolarHBondContact O-N 2.72Å |
| 952 | Q | 83.4 | Confident | 77.7 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 29% | 0.29 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -77.5 | -39 | -173.6 | -65 | -65.5 | -20 | 0 | 0 | 113.4 | R890 I948 | R890-Q952 HydrophobicContact CG-CG 4.45Å; I948-Q952 HydrophobicContact CG2-CG 4.04Å; I948-Q952 WeakPolarHBondContact O-CB 3.4Å; I948-Q952 WeakPolarHBondContact O-CG 3.26Å; I948-Q952 PolarHBondContact O-N 2.94Å |
| 953 | H | 82.7 | Confident | 75.6 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 7% | 0.065 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -106.4 | 18.3 | -173.7 | -60.2 | -68.6 | 0 | 0 | 0 | 113.6 | I889 V893 L949 D955 I956 L957 | I889-H953 PolarHBondContact O-NE2 3.21Å; V893-H953 WeakPolarHBondContact CG2-ND1 3.36Å; L949-H953 PolarHBondContact O-N 3.38Å; L949-H953 VanDerWaalsContact O-N 3.1Å; H953-D955 VanDerWaalsContact C-N 3.28Å; H953-D955 PolarHBondContact O-N 2.9Å; H953-I956 PolarHBondContact O-N 2.89Å; H953-L957 VanDerWaalsContact O-CG 3.25Å; H953-L957 WeakPolarHBondContact O-CG 3.21Å; H953-L957 PolarHBondContact O-N 2.74Å; H953-L957 VanDerWaalsContact O-N 3.12Å |
| 954 | S | 79.5 | Confident | 73.5 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.8 | -38 | -179.4 | 55 | 0 | 0 | 0 | 0 | 112.8 | L950 I956 L957 F958 | L950-S954 VanDerWaalsContact O-CB 3.26Å; L950-S954 WeakPolarHBondContact O-CB 3.28Å; L950-S954 PolarHBondContact O-N 3Å; S954-I956 PolarHBondContact O-N 3.22Å; S954-L957 PolarHBondContact O-N 3.08Å; S954-F958 WeakPolarHBondContact O-CB 3.35Å; S954-F958 WeakPolarHBondContact O-CD2 3.45Å; S954-F958 PolarHBondContact O-N 3.03Å |
| 955 | D | 73.8 | Confident | 71.2 | Confident | 74 Ų | 74 | 69.3 Ų | 69.3 | 40% | 0.396 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | -178.9 | 65.5 | -33.3 | 0 | 0 | 0 | 112.4 | H953 F958 R959 | H953-D955 VanDerWaalsContact C-N 3.28Å; H953-D955 PolarHBondContact O-N 2.9Å; D955-F958 PolarHBondContact O-N 3.41Å; D955-R959 WeakPolarHBondContact O-CA 3.45Å; D955-R959 WeakPolarHBondContact O-CB 3.33Å; D955-R959 VanDerWaalsContact O-CG 3.27Å; D955-R959 WeakPolarHBondContact O-CG 3.47Å; D955-R959 PolarHBondContact O-N 3.47Å |
| 956 | I | 69.9 | Low | 69 | Low | 43 Ų | 43 | 77.4 Ų | 77.4 | 22% | 0.221 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.8 | -42.1 | 176.6 | -64 | 152.6 | 0 | 0 | 0 | 109.9 | V893 Y919 H953 S954 F958 Y998 | V893-I956 HydrophobicContact CB-CD1 4.13Å; V893-I956 HydrophobicContact CG1-CD1 3.65Å; V893-I956 HydrophobicContact CG2-CD1 4.42Å; Y919-I956 HydrophobicContact CE1-CG2 4.08Å; H953-I956 PolarHBondContact O-N 2.89Å; S954-I956 PolarHBondContact O-N 3.22Å; I956-F958 VanDerWaalsContact C-N 3.29Å; I956-F958 PolarHBondContact O-N 3.08Å; I956-Y998 WeakPolarHBondContact O-CE2 3.24Å |
| 957 | L | 69.3 | Low | 66.7 | Low | 18 Ų | 18 | 84.6 Ų | 84.6 | 9% | 0.094 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.2 | -26.8 | 178.5 | -67.6 | 173.8 | 0 | 0 | 0 | 112.9 | L950 H953 S954 Y998 T1001 I1005 | L950-L957 HydrophobicContact CD2-CD1 4.02Å; H953-L957 VanDerWaalsContact O-CG 3.25Å; H953-L957 WeakPolarHBondContact O-CG 3.21Å; H953-L957 PolarHBondContact O-N 2.74Å; H953-L957 VanDerWaalsContact O-N 3.12Å; S954-L957 PolarHBondContact O-N 3.08Å; L957-Y998 PolarHBondContact O-OH 2.93Å; L957-T1001 HydrophobicContact CD2-CG2 3.77Å; L957-I1005 HydrophobicContact CD1-CD1 3.68Å; L957-I1005 HydrophobicContact CD2-CD1 3.39Å; L957-I1005 HydrophobicContact CG-CD1 4.19Å |
| 958 | F | 68 | Low | 64.3 | Low | 142 Ų | 142 | 83.8 Ų | 83.8 | 62% | 0.623 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -108 | -19.3 | -179.6 | -70 | -68.9 | 0 | 0 | 0 | 115.1 | S954 D955 I956 R960 T961 | S954-F958 WeakPolarHBondContact O-CB 3.35Å; S954-F958 WeakPolarHBondContact O-CD2 3.45Å; S954-F958 PolarHBondContact O-N 3.03Å; D955-F958 PolarHBondContact O-N 3.41Å; I956-F958 VanDerWaalsContact C-N 3.29Å; I956-F958 PolarHBondContact O-N 3.08Å; F958-R960 VanDerWaalsContact C-N 3.33Å; F958-R960 PolarHBondContact O-N 3.11Å; F958-T961 PolarHBondContact O-N 3.21Å; F958-T961 PolarHBondContact O-OG1 3.43Å |
| 959 | R | 58.3 | Low | 61.9 | Low | 193 Ų | 193 | 90.5 Ų | 90.5 | 73% | 0.728 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.1 | -29.7 | -173.2 | -101.1 | 178.9 | 173.4 | 175 | 0.7 | 115.3 | D955 | D955-R959 WeakPolarHBondContact O-CA 3.45Å; D955-R959 WeakPolarHBondContact O-CB 3.33Å; D955-R959 VanDerWaalsContact O-CG 3.27Å; D955-R959 WeakPolarHBondContact O-CG 3.47Å; D955-R959 PolarHBondContact O-N 3.47Å |
| 960 | R | 53.9 | Low | 59.8 | Low | 135 Ų | 135 | 96.1 Ų | 96.1 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -7.5 | -175.3 | -81.9 | -173.6 | 177.7 | 174.3 | 3.4 | 115.2 | F958 H962 A963 Q964 | F958-R960 VanDerWaalsContact C-N 3.33Å; F958-R960 PolarHBondContact O-N 3.11Å; R960-H962 PolarHBondContact O-N 2.88Å; R960-A963 PolarHBondContact O-N 2.87Å; R960-A963 VanDerWaalsContact O-N 3.17Å; R960-Q964 PolarHBondContact O-N 2.96Å |
| 961 | T | 51.3 | Low | 57.6 | Low | 40 Ų | 40 | 100.3 Ų | 100.3 | 25% | 0.245 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -35.2 | 174.7 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | F958 A963 N965 Y998 | F958-T961 PolarHBondContact O-N 3.21Å; F958-T961 PolarHBondContact O-OG1 3.43Å; T961-A963 PolarHBondContact O-N 3.41Å; T961-N965 PolarHBondContact O-OD1 3.43Å; T961-N965 VanDerWaalsContact O-OD1 3.05Å; T961-Y998 VanDerWaalsContact CG2-OH 3.24Å; T961-Y998 WeakPolarHBondContact CG2-OH 3.48Å |
| 962 | H | 45.9 | Very low | 56 | Low | 154 Ų | 154 | 101.9 Ų | 101.9 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -24.5 | 177.9 | -76.9 | -63.1 | 0 | 0 | 0 | 115.1 | R960 | R960-H962 PolarHBondContact O-N 2.88Š|
| 963 | A | 47.2 | Very low | 54.6 | Low | 87 Ų | 87 | 103.9 Ų | 103.9 | 72% | 0.719 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -19 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R960 T961 | R960-A963 PolarHBondContact O-N 2.87Å; R960-A963 VanDerWaalsContact O-N 3.17Å; T961-A963 PolarHBondContact O-N 3.41Å |
| 964 | Q | 48.2 | Very low | 53.3 | Low | 78 Ų | 78 | 109 Ų | 109 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | trans | -107.2 | 18 | 179.8 | -75.2 | -174.7 | -26.2 | 0 | 0 | 114 | R960 N966 L967 | R960-Q964 PolarHBondContact O-N 2.96Å; Q964-N966 PolarHBondContact O-N 2.93Å; Q964-L967 PolarHBondContact O-N 3.35Å | ||
| 965 | N | 41.4 | Very low | 52.4 | Low | 100 Ų | 100 | 112.4 Ų | 112.4 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.1 | -4 | 177.6 | -85.7 | -20 | 0 | 0 | 0 | 115.4 | T961 | T961-N965 PolarHBondContact O-OD1 3.43Å; T961-N965 VanDerWaalsContact O-OD1 3.05Å |
| 966 | N | 43.5 | Very low | 52 | Low | 170 Ų | 170 | 112.8 Ų | 112.8 | 91% | 0.909 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -1.8 | 172.6 | -72.3 | -13 | 0 | 0 | 0 | 114.8 | Q964 | Q964-N966 PolarHBondContact O-N 2.93Š|
| 967 | L | 42.9 | Very low | 51.7 | Low | 157 Ų | 157 | 112.9 Ų | 112.9 | 82% | 0.822 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | -8.9 | 178.5 | -87.5 | 152.4 | 0 | 0 | 0 | 114.4 | Q964 N969 | Q964-L967 PolarHBondContact O-N 3.35Å; L967-N969 PolarHBondContact O-N 3.01Å |
| 968 | L | 40.5 | Very low | 51.4 | Low | 72 Ų | 72 | 114.2 Ų | 114.2 | 38% | 0.377 | 58% | 0.58 | S | S | . | * | trans | -98.2 | 70.6 | -176.9 | -84.9 | 149 | 0 | 0 | 0 | 111.5 | V970 | L968-V970 HydrophobicContact CB-CG2 4.02Å; L968-V970 HydrophobicContact CD2-CG2 3.65Å; L968-V970 HydrophobicContact CG-CG2 4.47Å; L968-V970 PolarHBondContact O-N 3.17Å; L968-V970 VanDerWaalsContact O-N 3.11Å | ||
| 969 | N | 38.3 | Very low | 51.3 | Low | 145 Ų | 145 | 113.4 Ų | 113.4 | 78% | 0.775 | 58% | 0.579 | S | S | * | * | trans | -73.9 | 88.7 | 150.8 | -91.8 | -17.5 | 0 | 0 | 0 | 107.2 | L967 N971 | L967-N969 PolarHBondContact O-N 3.01Å; N969-N971 PolarHBondContact O-N 3.4Å | ||
| 970 | V | 44.5 | Very low | 51.6 | Low | 120 Ų | 120 | 106.3 Ų | 106.3 | 73% | 0.727 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 55.2 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | L968 | L968-V970 HydrophobicContact CB-CG2 4.02Å; L968-V970 HydrophobicContact CD2-CG2 3.65Å; L968-V970 HydrophobicContact CG-CG2 4.47Å; L968-V970 PolarHBondContact O-N 3.17Å; L968-V970 VanDerWaalsContact O-N 3.11Å |
| 971 | N | 42.2 | Very low | 52.3 | Low | 153 Ų | 153 | 101.3 Ų | 101.3 | 82% | 0.818 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | 15.1 | 167.8 | -83.5 | -20.6 | 0 | 0 | 0 | 111.2 | N969 | N969-N971 PolarHBondContact O-N 3.4Š|
| 972 | Q | 51.1 | Low | 53.1 | Low | 134 Ų | 134 | 103.5 Ų | 103.5 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -69.9 | 132.5 | 171.6 | -78.9 | 178.1 | -23.6 | 0 | 0 | 110 | ||
| 973 | N | 53.5 | Low | 54 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 56% | 0.556 | 53% | 0.528 | S | S | * | . | trans | -54.9 | 136.7 | -170.4 | -70.7 | -42.7 | 0 | 0 | 0 | 111.1 | D975 E976 | N973-D975 PolarHBondContact O-N 3.45Å; N973-E976 HydrophobicContact CB-CG 4.4Å; N973-E976 WeakPolarHBondContact O-CB 3.45Å; N973-E976 PolarHBondContact O-N 3.49Å | ||
| 974 | L | 57.3 | Low | 54.9 | Low | 121 Ų | 121 | 96.1 Ų | 96.1 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -51.2 | -28.2 | 175.9 | -85.5 | 141.1 | 0 | 0 | 0 | 113.2 | I977 D978 | L974-I977 PolarHBondContact O-N 2.83Å; L974-D978 PolarHBondContact O-N 3.25Å |
| 975 | D | 60.3 | Low | 55.7 | Low | 120 Ų | 120 | 95.1 Ų | 95.1 | 64% | 0.642 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.7 | -32.8 | 178.2 | -60.8 | -26.2 | 0 | 0 | 0 | 112.5 | N973 I977 D978 E979 | N973-D975 PolarHBondContact O-N 3.45Å; D975-I977 VanDerWaalsContact C-N 3.3Å; D975-I977 PolarHBondContact O-N 3.34Å; D975-D978 PolarHBondContact O-N 2.9Å; D975-E979 PolarHBondContact O-N 3.43Å |
| 976 | E | 64 | Low | 56.7 | Low | 82 Ų | 82 | 97 Ų | 97 | 38% | 0.383 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 176.8 | -68.7 | 177.7 | -176.6 | 0 | 0 | 110.8 | N973 E979 M980 | N973-E976 HydrophobicContact CB-CG 4.4Å; N973-E976 WeakPolarHBondContact O-CB 3.45Å; N973-E976 PolarHBondContact O-N 3.49Å; E976-E979 PolarHBondContact O-N 3.35Å; E976-M980 WeakPolarHBondContact O-CB 3.47Å; E976-M980 WeakPolarHBondContact O-CG 3.22Å; E976-M980 PolarHBondContact O-N 2.87Å |
| 977 | I | 63.2 | Low | 57.2 | Low | 46 Ų | 46 | 95.8 Ų | 95.8 | 24% | 0.236 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 178.4 | -59 | 177 | 0 | 0 | 0 | 111.1 | L974 D975 M980 Y981 I1003 | L974-I977 PolarHBondContact O-N 2.83Å; D975-I977 VanDerWaalsContact C-N 3.3Å; D975-I977 PolarHBondContact O-N 3.34Å; I977-M980 PolarHBondContact O-N 2.93Å; I977-Y981 PolarHBondContact O-N 3.32Å; I977-I1003 HydrophobicContact CG2-CG2 4.22Å |
| 978 | D | 63.9 | Low | 57.6 | Low | 45 Ų | 45 | 94.4 Ų | 94.4 | 24% | 0.241 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 175.6 | -79.9 | -8.1 | 0 | 0 | 0 | 111.3 | L974 D975 M980 Y981 L982 K1010 | L974-D978 PolarHBondContact O-N 3.25Å; D975-D978 PolarHBondContact O-N 2.9Å; D978-M980 VanDerWaalsContact C-N 3.33Å; D978-M980 PolarHBondContact O-N 3.42Å; D978-Y981 PolarHBondContact O-N 3.47Å; D978-L982 PolarHBondContact O-N 2.96Å; D978-K1010 IonicContact OD1-NZ 3.97Å; D978-K1010 PolarHBondContact OD1-NZ 2.87Å; D978-K1010 IonicContact OD2-NZ 3.73Å; D978-K1010 PolarHBondContact OD2-NZ 3.04Å |
| 979 | E | 66.6 | Low | 57.8 | Low | 126 Ų | 126 | 98.6 Ų | 98.6 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 173.2 | -75.8 | -167 | 169.9 | 0 | 0 | 111.8 | D975 E976 L982 Q983 | D975-E979 PolarHBondContact O-N 3.43Å; E976-E979 PolarHBondContact O-N 3.35Å; E979-L982 PolarHBondContact O-N 3.41Å; E979-Q983 VanDerWaalsContact O-CG 3.28Å; E979-Q983 WeakPolarHBondContact O-CG 3.34Å; E979-Q983 PolarHBondContact O-N 3.47Å |
| 980 | M | 64.6 | Low | 58.1 | Low | 44 Ų | 44 | 97.3 Ų | 97.3 | 22% | 0.217 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | 176.3 | -70.7 | -173.2 | 83.8 | 0 | 0 | 112 | E976 I977 D978 Q983 I984 L995 F999 I1003 | E976-M980 WeakPolarHBondContact O-CB 3.47Å; E976-M980 WeakPolarHBondContact O-CG 3.22Å; E976-M980 PolarHBondContact O-N 2.87Å; I977-M980 PolarHBondContact O-N 2.93Å; D978-M980 VanDerWaalsContact C-N 3.33Å; D978-M980 PolarHBondContact O-N 3.42Å; M980-Q983 PolarHBondContact O-N 3.34Å; M980-I984 WeakPolarHBondContact O-CD1 3.49Å; M980-I984 WeakPolarHBondContact O-CG1 3.3Å; M980-I984 PolarHBondContact O-N 3.3Å; M980-L995 HydrophobicContact CE-CD1 3.44Å; M980-L995 VanDerWaalsContact CE-CD1 3.44Å; M980-L995 HydrophobicContact CE-CD2 3.8Å; M980-L995 HydrophobicContact CE-CG 4.28Å; M980-F999 HydrophobicContact CE-CD1 4.12Å; M980-F999 HydrophobicContact CE-CE1 3.42Å; M980-F999 VanDerWaalsContact CE-CE1 3.42Å; M980-F999 HydrophobicContact CE-CZ 4.39Å; M980-F999 HydrophobicContact SD-CE1 3.86Å; M980-F999 HydrophobicContact SD-CZ 4.39Å; M980-I1003 HydrophobicContact CB-CD1 3.96Å; M980-I1003 HydrophobicContact CE-CD1 4.07Å; M980-I1003 HydrophobicContact SD-CD1 4.31Å |
| 981 | Y | 68.1 | Low | 58.1 | Low | 29 Ų | 29 | 98.9 Ų | 98.9 | 11% | 0.114 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 173 | 174.8 | -99.6 | 0 | 0 | 0 | 111.9 | I930 I977 D978 Q983 I984 V985 L1004 Q1007 | I930-Y981 HydrophobicContact CD1-CE2 3.92Å; I977-Y981 PolarHBondContact O-N 3.32Å; D978-Y981 PolarHBondContact O-N 3.47Å; Y981-Q983 VanDerWaalsContact C-N 3.27Å; Y981-Q983 PolarHBondContact O-N 3.01Å; Y981-I984 PolarHBondContact O-N 3.39Å; Y981-I984 VanDerWaalsContact O-N 3.08Å; Y981-V985 HydrophobicContact CD1-CG2 4.34Å; Y981-V985 HydrophobicContact CD2-CG2 4.13Å; Y981-V985 HydrophobicContact CE1-CG2 3.86Å; Y981-V985 HydrophobicContact CE2-CG2 3.62Å; Y981-V985 HydrophobicContact CG-CG2 4.47Å; Y981-V985 VanDerWaalsContact CZ-CG2 3.48Å; Y981-V985 WeakPolarHBondContact O-CG2 3.46Å; Y981-V985 PolarHBondContact O-N 3.5Å; Y981-L1004 HydrophobicContact CD2-CD2 3.93Å; Y981-L1004 HydrophobicContact CE2-CD2 3.71Å; Y981-Q1007 HydrophobicContact CD1-CG 4.19Å; Y981-Q1007 HydrophobicContact CD2-CB 4.08Å; Y981-Q1007 HydrophobicContact CD2-CG 3.85Å; Y981-Q1007 HydrophobicContact CE1-CG 4.13Å; Y981-Q1007 HydrophobicContact CE2-CB 4.27Å; Y981-Q1007 HydrophobicContact CE2-CG 3.79Å; Y981-Q1007 HydrophobicContact CG-CG 4.05Å |
| 982 | L | 67.2 | Low | 58.7 | Low | 86 Ų | 86 | 93.8 Ų | 93.8 | 45% | 0.45 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.9 | -41.3 | 174.5 | -85.4 | 154.7 | 0 | 0 | 0 | 111.1 | D978 E979 I984 V985 E986 | D978-L982 PolarHBondContact O-N 2.96Å; E979-L982 PolarHBondContact O-N 3.41Å; L982-I984 PolarHBondContact O-N 2.99Å; L982-V985 PolarHBondContact O-N 3.3Å; L982-E986 HydrophobicContact CD2-CG 4.48Å; L982-E986 VanDerWaalsContact O-CB 3.31Å; L982-E986 WeakPolarHBondContact O-CB 3.41Å; L982-E986 PolarHBondContact O-N 3.39Å |
| 983 | Q | 65.3 | Low | 58.7 | Low | 75 Ų | 75 | 94.4 Ų | 94.4 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 174.1 | -71.3 | 172.6 | 26.4 | 0 | 0 | 112.4 | E979 M980 Y981 V985 K987 | E979-Q983 VanDerWaalsContact O-CG 3.28Å; E979-Q983 WeakPolarHBondContact O-CG 3.34Å; E979-Q983 PolarHBondContact O-N 3.47Å; M980-Q983 PolarHBondContact O-N 3.34Å; Y981-Q983 VanDerWaalsContact C-N 3.27Å; Y981-Q983 PolarHBondContact O-N 3.01Å; Q983-V985 VanDerWaalsContact C-N 3.33Å; Q983-V985 PolarHBondContact O-N 3.47Å; Q983-K987 PolarHBondContact O-N 3.45Å; Q983-K987 VanDerWaalsContact O-N 3.15Å |
| 984 | I | 66.4 | Low | 58.7 | Low | 12 Ų | 12 | 94.3 Ų | 94.3 | 6% | 0.062 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -67.3 | -30.6 | 178.3 | -70.3 | 159.2 | 0 | 0 | 0 | 112.6 | R927 M980 Y981 L982 V1000 I1003 | R927-I984 PolarHBondContact NH2-O 2.88Å; M980-I984 WeakPolarHBondContact O-CD1 3.49Å; M980-I984 WeakPolarHBondContact O-CG1 3.3Å; M980-I984 PolarHBondContact O-N 3.3Å; Y981-I984 PolarHBondContact O-N 3.39Å; Y981-I984 VanDerWaalsContact O-N 3.08Å; L982-I984 PolarHBondContact O-N 2.99Å; I984-V1000 HydrophobicContact CD1-CG1 4.08Å; I984-V1000 HydrophobicContact CD1-CG2 4.49Å; I984-V1000 HydrophobicContact CG1-CG1 4.45Å; I984-V1000 HydrophobicContact CG2-CG1 4.17Å; I984-I1003 HydrophobicContact CD1-CB 4.18Å; I984-I1003 HydrophobicContact CD1-CD1 3.63Å; I984-I1003 HydrophobicContact CD1-CG2 3.94Å |
| 985 | V | 65.6 | Low | 58.8 | Low | 57 Ų | 57 | 90.9 Ų | 90.9 | 35% | 0.345 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -92.1 | -38.8 | -177.6 | 176.6 | 0 | 0 | 0 | 0 | 112.4 | Y981 L982 Q983 | Y981-V985 HydrophobicContact CD1-CG2 4.34Å; Y981-V985 HydrophobicContact CD2-CG2 4.13Å; Y981-V985 HydrophobicContact CE1-CG2 3.86Å; Y981-V985 HydrophobicContact CE2-CG2 3.62Å; Y981-V985 HydrophobicContact CG-CG2 4.47Å; Y981-V985 VanDerWaalsContact CZ-CG2 3.48Å; Y981-V985 WeakPolarHBondContact O-CG2 3.46Å; Y981-V985 PolarHBondContact O-N 3.5Å; L982-V985 PolarHBondContact O-N 3.3Å; Q983-V985 VanDerWaalsContact C-N 3.33Å; Q983-V985 PolarHBondContact O-N 3.47Å |
| 986 | E | 61.4 | Low | 59.1 | Low | 139 Ų | 139 | 87.2 Ų | 87.2 | 65% | 0.65 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -99.5 | -23.9 | -170.6 | -64.5 | -173.4 | 159.2 | 0 | 0 | 115 | L982 | L982-E986 HydrophobicContact CD2-CG 4.48Å; L982-E986 VanDerWaalsContact O-CB 3.31Å; L982-E986 WeakPolarHBondContact O-CB 3.41Å; L982-E986 PolarHBondContact O-N 3.39Å |
| 987 | K | 54.7 | Low | 59.4 | Low | 145 Ų | 145 | 85.2 Ų | 85.2 | 63% | 0.63 | 44% | 0.442 | S | S | * | . | trans | -133.6 | 94.9 | -171.2 | -66.2 | -176.9 | -178.7 | 174.8 | 0 | 112.8 | Q983 Q989 | Q983-K987 PolarHBondContact O-N 3.45Å; Q983-K987 VanDerWaalsContact O-N 3.15Å; K987-Q989 PolarHBondContact O-N 3.41Å | ||
| 988 | D | 51.9 | Low | 59.8 | Low | 128 Ų | 128 | 84 Ų | 84 | 68% | 0.684 | 44% | 0.435 | S | S | * | . | trans | -63.3 | 30.6 | 172.7 | -77.7 | -39.5 | 0 | 0 | 0 | 114.1 | K865 | K865-D988 IonicContact NZ-OD2 3.94Å; K865-D988 PolarHBondContact NZ-OD2 3.18Å; K865-D988 VanDerWaalsContact NZ-OD2 3.1Å | ||
| 989 | Q | 43.5 | Very low | 60.2 | Low | 160 Ų | 160 | 84.6 Ų | 84.6 | 75% | 0.748 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -138.2 | 118.8 | -169.5 | -73.8 | -163.6 | -9.9 | 0 | 0 | 116.4 | K987 K991 | K987-Q989 PolarHBondContact O-N 3.41Å; Q989-K991 PolarHBondContact O-N 2.97Å; Q989-K991 VanDerWaalsContact O-N 3.11Å |
| 990 | V | 44 | Very low | 60.7 | Low | 117 Ų | 117 | 79 Ų | 79 | 71% | 0.709 | 41% | 0.409 | S | S | * | . | S | Bend | trans | 75.4 | -28.6 | 147.7 | -171.5 | 0 | 0 | 0 | 0 | 119.4 | ||
| 991 | K | 46 | Very low | 61.4 | Low | 154 Ų | 154 | 77 Ų | 77 | 67% | 0.67 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -93.3 | -23.4 | 174.6 | -77.2 | -170.4 | 177.8 | -177.2 | 0 | 114.6 | Q989 D993 S994 | Q989-K991 PolarHBondContact O-N 2.97Å; Q989-K991 VanDerWaalsContact O-N 3.11Å; K991-D993 VanDerWaalsContact C-N 3.32Å; K991-D993 PolarHBondContact O-N 2.96Å; K991-S994 PolarHBondContact O-N 2.83Å; K991-S994 PolarHBondContact O-OG 2.8Å |
| 992 | V | 53.2 | Low | 62 | Low | 46 Ų | 46 | 79.1 Ų | 79.1 | 28% | 0.279 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -73.5 | -25.8 | -176.7 | -174 | 0 | 0 | 0 | 0 | 112 | S994 L995 V1000 | V992-S994 PolarHBondContact O-N 2.87Å; V992-S994 VanDerWaalsContact O-N 3.08Å; V992-L995 PolarHBondContact O-N 3.19Å; V992-V1000 HydrophobicContact CG1-CG2 4.14Å |
| 993 | D | 51.2 | Low | 62.7 | Low | 147 Ų | 147 | 75.3 Ų | 75.3 | 79% | 0.786 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -62.6 | -17.9 | 175.9 | -63.6 | -25.6 | 0 | 0 | 0 | 113.2 | K991 | K991-D993 VanDerWaalsContact C-N 3.32Å; K991-D993 PolarHBondContact O-N 2.96Å |
| 994 | S | 53.6 | Low | 63.6 | Low | 101 Ų | 101 | 71.8 Ų | 71.8 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -86.5 | -17 | 175.1 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | K991 V992 | K991-S994 PolarHBondContact O-N 2.83Å; K991-S994 PolarHBondContact O-OG 2.8Å; V992-S994 PolarHBondContact O-N 2.87Å; V992-S994 VanDerWaalsContact O-N 3.08Å |
| 995 | L | 61 | Low | 64.5 | Low | 49 Ų | 49 | 72.1 Ų | 72.1 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -88.3 | 133.5 | -177.6 | -65.2 | 170 | 0 | 0 | 0 | 109.3 | M980 V992 F999 V1000 | M980-L995 HydrophobicContact CE-CD1 3.44Å; M980-L995 VanDerWaalsContact CE-CD1 3.44Å; M980-L995 HydrophobicContact CE-CD2 3.8Å; M980-L995 HydrophobicContact CE-CG 4.28Å; V992-L995 PolarHBondContact O-N 3.19Å; L995-F999 HydrophobicContact CD1-CD1 4.36Å; L995-F999 HydrophobicContact CD2-CD1 3.74Å; L995-F999 HydrophobicContact CD2-CE1 4.07Å; L995-F999 HydrophobicContact CD2-CG 4.48Å; L995-F999 HydrophobicContact CG-CD1 4.43Å; L995-V1000 HydrophobicContact CB-CG2 4.43Å |
| 996 | S | 66.2 | Low | 65.5 | Low | 43 Ų | 43 | 72.5 Ų | 72.5 | 30% | 0.301 | 38% | 0.378 | S | S | . | . | trans | -59 | 136.9 | 172.8 | 70 | 0 | 0 | 0 | 0 | 108.7 | Y998 F999 V1000 | S996-Y998 PolarHBondContact O-N 3.41Å; S996-F999 WeakPolarHBondContact O-CA 3.31Å; S996-F999 VanDerWaalsContact O-CB 3.26Å; S996-F999 WeakPolarHBondContact O-CB 3.49Å; S996-F999 PolarHBondContact O-N 3.16Å; S996-F999 WeakPolarHBondContact OG-CB 3.33Å; S996-F999 PolarHBondContact OG-N 3.45Å; S996-V1000 PolarHBondContact O-N 2.89Å | ||
| 997 | P | 69 | Low | 66.7 | Low | 41 Ų | 41 | 66.9 Ų | 66.9 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -49.8 | -32.9 | 177.1 | -33.6 | 37.1 | 0 | 0 | 0 | 114.2 | N917 Y919 V1000 T1001 | N917-P997 VanDerWaalsContact OD1-CB 3.32Å; N917-P997 WeakPolarHBondContact OD1-CB 3.23Å; Y919-P997 HydrophobicContact CD2-CB 3.56Å; Y919-P997 HydrophobicContact CE2-CB 4.06Å; P997-V1000 PolarHBondContact O-N 2.92Å; P997-T1001 PolarHBondContact O-N 3.35Å; P997-T1001 PolarHBondContact O-OG1 2.92Å |
| 998 | Y | 71.5 | Confident | 68.2 | Low | 19 Ų | 19 | 60 Ų | 60 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63 | -39.8 | 174.3 | 179.3 | -96.8 | 0 | 0 | 0 | 112.9 | I956 L957 T961 S996 V1000 T1001 L1002 | I956-Y998 WeakPolarHBondContact O-CE2 3.24Å; L957-Y998 PolarHBondContact O-OH 2.93Å; T961-Y998 VanDerWaalsContact CG2-OH 3.24Å; T961-Y998 WeakPolarHBondContact CG2-OH 3.48Å; S996-Y998 PolarHBondContact O-N 3.41Å; Y998-V1000 VanDerWaalsContact C-N 3.34Å; Y998-V1000 PolarHBondContact O-N 2.95Å; Y998-T1001 WeakPolarHBondContact O-CB 3.31Å; Y998-T1001 PolarHBondContact O-N 3.29Å; Y998-L1002 HydrophobicContact CE1-CD1 4.38Å; Y998-L1002 PolarHBondContact O-N 3.4Å |
| 999 | F | 74.2 | Confident | 70 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 26% | 0.259 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 176.2 | -165.4 | -99.2 | 0 | 0 | 0 | 111.9 | M980 L995 S996 T1001 L1002 I1003 | M980-F999 HydrophobicContact CE-CD1 4.12Å; M980-F999 HydrophobicContact CE-CE1 3.42Å; M980-F999 VanDerWaalsContact CE-CE1 3.42Å; M980-F999 HydrophobicContact CE-CZ 4.39Å; M980-F999 HydrophobicContact SD-CE1 3.86Å; M980-F999 HydrophobicContact SD-CZ 4.39Å; L995-F999 HydrophobicContact CD1-CD1 4.36Å; L995-F999 HydrophobicContact CD2-CD1 3.74Å; L995-F999 HydrophobicContact CD2-CE1 4.07Å; L995-F999 HydrophobicContact CD2-CG 4.48Å; L995-F999 HydrophobicContact CG-CD1 4.43Å; S996-F999 WeakPolarHBondContact O-CA 3.31Å; S996-F999 VanDerWaalsContact O-CB 3.26Å; S996-F999 WeakPolarHBondContact O-CB 3.49Å; S996-F999 PolarHBondContact O-N 3.16Å; S996-F999 WeakPolarHBondContact OG-CB 3.33Å; S996-F999 PolarHBondContact OG-N 3.45Å; F999-T1001 PolarHBondContact O-N 3.05Å; F999-L1002 WeakPolarHBondContact O-CB 3.36Å; F999-L1002 PolarHBondContact O-N 3.41Å; F999-I1003 HydrophobicContact CD1-CD1 3.62Å; F999-I1003 HydrophobicContact CD1-CG1 4.29Å; F999-I1003 HydrophobicContact CE1-CD1 3.52Å; F999-I1003 HydrophobicContact CE1-CG1 4.11Å; F999-I1003 WeakPolarHBondContact O-CG1 3.31Å; F999-I1003 PolarHBondContact O-N 3.05Å |
| 1000 | V | 76.4 | Confident | 72.1 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 174.4 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | H923 I984 V992 L995 S996 P997 Y998 L1002 I1003 L1004 | H923-V1000 VanDerWaalsContact CE1-CG1 3.45Å; H923-V1000 WeakPolarHBondContact CE1-CG1 3.4Å; I984-V1000 HydrophobicContact CD1-CG1 4.08Å; I984-V1000 HydrophobicContact CD1-CG2 4.49Å; I984-V1000 HydrophobicContact CG1-CG1 4.45Å; I984-V1000 HydrophobicContact CG2-CG1 4.17Å; V992-V1000 HydrophobicContact CG1-CG2 4.14Å; L995-V1000 HydrophobicContact CB-CG2 4.43Å; S996-V1000 PolarHBondContact O-N 2.89Å; P997-V1000 PolarHBondContact O-N 2.92Å; Y998-V1000 VanDerWaalsContact C-N 3.34Å; Y998-V1000 PolarHBondContact O-N 2.95Å; V1000-L1002 VanDerWaalsContact C-N 3.3Å; V1000-L1002 PolarHBondContact O-N 3.31Å; V1000-I1003 PolarHBondContact O-N 3.08Å; V1000-L1004 HydrophobicContact CG1-CD1 4.36Å; V1000-L1004 WeakPolarHBondContact O-CG 3.27Å; V1000-L1004 PolarHBondContact O-N 3.23Å; V1000-L1004 VanDerWaalsContact O-N 3.08Å |
| 1001 | T | 79.7 | Confident | 74.2 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 175.1 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | L922 H923 L926 L957 P997 Y998 F999 I1003 L1004 I1005 | L922-T1001 HydrophobicContact CD2-CG2 3.54Å; L922-T1001 HydrophobicContact CG-CG2 4.46Å; H923-T1001 PolarHBondContact NE2-OG1 3.08Å; L926-T1001 HydrophobicContact CD1-CG2 4.32Å; L957-T1001 HydrophobicContact CD2-CG2 3.77Å; P997-T1001 PolarHBondContact O-N 3.35Å; P997-T1001 PolarHBondContact O-OG1 2.92Å; Y998-T1001 WeakPolarHBondContact O-CB 3.31Å; Y998-T1001 PolarHBondContact O-N 3.29Å; F999-T1001 PolarHBondContact O-N 3.05Å; T1001-I1003 PolarHBondContact O-N 3.35Å; T1001-L1004 PolarHBondContact O-N 3.03Å; T1001-I1005 HydrophobicContact CG2-CD1 3.98Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.21Å; T1001-I1005 PolarHBondContact O-N 3.48Å |
| 1002 | L | 79.9 | Confident | 76.3 | Confident | 74 Ų | 74 | 43.2 Ų | 43.2 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 179.4 | -152.2 | 97.7 | 0 | 0 | 0 | 112 | Y998 F999 V1000 I1005 N1006 | Y998-L1002 HydrophobicContact CE1-CD1 4.38Å; Y998-L1002 PolarHBondContact O-N 3.4Å; F999-L1002 WeakPolarHBondContact O-CB 3.36Å; F999-L1002 PolarHBondContact O-N 3.41Å; V1000-L1002 VanDerWaalsContact C-N 3.3Å; V1000-L1002 PolarHBondContact O-N 3.31Å; L1002-I1005 PolarHBondContact O-N 3.36Å; L1002-N1006 WeakPolarHBondContact O-CB 3.45Å; L1002-N1006 PolarHBondContact O-N 2.96Å |
| 1003 | I | 82.2 | Confident | 78.1 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -47.8 | 175.5 | -67.4 | 164.7 | 0 | 0 | 0 | 110.6 | I977 M980 I984 F999 V1000 T1001 I1005 N1006 Q1007 | I977-I1003 HydrophobicContact CG2-CG2 4.22Å; M980-I1003 HydrophobicContact CB-CD1 3.96Å; M980-I1003 HydrophobicContact CE-CD1 4.07Å; M980-I1003 HydrophobicContact SD-CD1 4.31Å; I984-I1003 HydrophobicContact CD1-CB 4.18Å; I984-I1003 HydrophobicContact CD1-CD1 3.63Å; I984-I1003 HydrophobicContact CD1-CG2 3.94Å; F999-I1003 HydrophobicContact CD1-CD1 3.62Å; F999-I1003 HydrophobicContact CD1-CG1 4.29Å; F999-I1003 HydrophobicContact CE1-CD1 3.52Å; F999-I1003 HydrophobicContact CE1-CG1 4.11Å; F999-I1003 WeakPolarHBondContact O-CG1 3.31Å; F999-I1003 PolarHBondContact O-N 3.05Å; V1000-I1003 PolarHBondContact O-N 3.08Å; T1001-I1003 PolarHBondContact O-N 3.35Å; I1003-I1005 PolarHBondContact O-N 3.47Å; I1003-N1006 PolarHBondContact O-N 2.71Å; I1003-Q1007 WeakPolarHBondContact O-CB 3.38Å; I1003-Q1007 PolarHBondContact O-N 2.94Å |
| 1004 | L | 84.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | -178.8 | -69.9 | 176.2 | 0 | 0 | 0 | 112.4 | H923 L926 R927 I930 Y981 V1000 T1001 Q1007 A1008 | H923-L1004 HydrophobicContact CB-CD1 3.74Å; L926-L1004 HydrophobicContact CB-CB 4.02Å; L926-L1004 HydrophobicContact CB-CD1 4.31Å; L926-L1004 HydrophobicContact CD1-CB 3.78Å; L926-L1004 HydrophobicContact CD1-CD1 4.37Å; R927-L1004 HydrophobicContact CG-CD2 4.4Å; I930-L1004 HydrophobicContact CD1-CD2 4.18Å; Y981-L1004 HydrophobicContact CD2-CD2 3.93Å; Y981-L1004 HydrophobicContact CE2-CD2 3.71Å; V1000-L1004 HydrophobicContact CG1-CD1 4.36Å; V1000-L1004 WeakPolarHBondContact O-CG 3.27Å; V1000-L1004 PolarHBondContact O-N 3.23Å; V1000-L1004 VanDerWaalsContact O-N 3.08Å; T1001-L1004 PolarHBondContact O-N 3.03Å; L1004-Q1007 PolarHBondContact O-N 2.99Å; L1004-A1008 PolarHBondContact O-N 3Å |
| 1005 | I | 85.3 | Confident | 81.3 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 175.9 | -69.4 | 171.6 | 0 | 0 | 0 | 110.8 | L926 L950 L957 T1001 L1002 I1003 Q1007 A1008 I1009 | L926-I1005 HydrophobicContact CD1-CG1 3.84Å; L926-I1005 HydrophobicContact CD2-CG1 4.02Å; L950-I1005 HydrophobicContact CD2-CG2 4.47Å; L957-I1005 HydrophobicContact CD1-CD1 3.68Å; L957-I1005 HydrophobicContact CD2-CD1 3.39Å; L957-I1005 HydrophobicContact CG-CD1 4.19Å; T1001-I1005 HydrophobicContact CG2-CD1 3.98Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.21Å; T1001-I1005 PolarHBondContact O-N 3.48Å; L1002-I1005 PolarHBondContact O-N 3.36Å; I1003-I1005 PolarHBondContact O-N 3.47Å; I1005-Q1007 VanDerWaalsContact C-N 3.26Å; I1005-Q1007 PolarHBondContact O-N 3.4Å; I1005-A1008 PolarHBondContact O-N 2.65Å; I1005-I1009 HydrophobicContact CG2-CD1 3.96Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.34Å; I1005-I1009 PolarHBondContact O-N 3.47Å |
| 1006 | N | 85.4 | Confident | 82.5 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 177.9 | -163.3 | 4.7 | 0 | 0 | 0 | 110.8 | L1002 I1003 I1009 K1010 | L1002-N1006 WeakPolarHBondContact O-CB 3.45Å; L1002-N1006 PolarHBondContact O-N 2.96Å; I1003-N1006 PolarHBondContact O-N 2.71Å; N1006-I1009 PolarHBondContact O-N 3.37Å; N1006-K1010 WeakPolarHBondContact O-CB 3.26Å; N1006-K1010 PolarHBondContact O-N 3.4Å |
| 1007 | Q | 86.5 | Confident | 83.4 | Confident | 21 Ų | 21 | 48 Ų | 48 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 175.8 | -171.2 | 67.2 | -23.3 | 0 | 0 | 112.6 | I930 Y981 I1003 L1004 I1005 I1009 K1010 T1011 | I930-Q1007 HydrophobicContact CD1-CB 4.07Å; I930-Q1007 HydrophobicContact CD1-CG 4.08Å; I930-Q1007 HydrophobicContact CG2-CG 4.35Å; Y981-Q1007 HydrophobicContact CD1-CG 4.19Å; Y981-Q1007 HydrophobicContact CD2-CB 4.08Å; Y981-Q1007 HydrophobicContact CD2-CG 3.85Å; Y981-Q1007 HydrophobicContact CE1-CG 4.13Å; Y981-Q1007 HydrophobicContact CE2-CB 4.27Å; Y981-Q1007 HydrophobicContact CE2-CG 3.79Å; Y981-Q1007 HydrophobicContact CG-CG 4.05Å; I1003-Q1007 WeakPolarHBondContact O-CB 3.38Å; I1003-Q1007 PolarHBondContact O-N 2.94Å; L1004-Q1007 PolarHBondContact O-N 2.99Å; I1005-Q1007 VanDerWaalsContact C-N 3.26Å; I1005-Q1007 PolarHBondContact O-N 3.4Å; Q1007-I1009 VanDerWaalsContact C-N 3.32Å; Q1007-I1009 PolarHBondContact O-N 2.98Å; Q1007-K1010 PolarHBondContact O-N 3.14Å; Q1007-T1011 HydrophobicContact CG-CG2 4.5Å; Q1007-T1011 WeakPolarHBondContact O-CG2 3.39Å; Q1007-T1011 PolarHBondContact O-N 3.19Å; Q1007-T1011 PolarHBondContact O-OG1 2.89Å; Q1007-T1011 VanDerWaalsContact O-OG1 3.08Å |
| 1008 | A | 87.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I929 I930 L946 L1004 I1005 T1011 K1012 | I929-A1008 HydrophobicContact CG2-CB 4.44Å; I930-A1008 HydrophobicContact CD1-CB 4.49Å; I930-A1008 HydrophobicContact CG1-CB 3.79Å; L946-A1008 HydrophobicContact CD1-CB 4.4Å; L1004-A1008 PolarHBondContact O-N 3Å; I1005-A1008 PolarHBondContact O-N 2.65Å; A1008-T1011 PolarHBondContact O-OG1 3.36Å; A1008-T1011 VanDerWaalsContact O-OG1 3.07Å; A1008-K1012 VanDerWaalsContact O-CB 3.23Å; A1008-K1012 WeakPolarHBondContact O-CB 3.28Å; A1008-K1012 PolarHBondContact O-N 2.88Å |
| 1009 | I | 88.7 | Confident | 84.6 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 29% | 0.287 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.5 | -42 | 175.8 | -65.9 | 169 | 0 | 0 | 0 | 110.7 | I1005 N1006 Q1007 K1012 R1013 | I1005-I1009 HydrophobicContact CG2-CD1 3.96Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.34Å; I1005-I1009 PolarHBondContact O-N 3.47Å; N1006-I1009 PolarHBondContact O-N 3.37Å; Q1007-I1009 VanDerWaalsContact C-N 3.32Å; Q1007-I1009 PolarHBondContact O-N 2.98Å; I1009-K1012 PolarHBondContact O-N 3.45Å; I1009-R1013 WeakPolarHBondContact O-CG 3.42Å; I1009-R1013 PolarHBondContact O-N 3.08Å |
| 1010 | K | 88.6 | Confident | 85.1 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 177.5 | -175.7 | 174.1 | 174.2 | 177.7 | 0 | 111.7 | D978 N1006 Q1007 R1013 K1014 | D978-K1010 IonicContact OD1-NZ 3.97Å; D978-K1010 PolarHBondContact OD1-NZ 2.87Å; D978-K1010 IonicContact OD2-NZ 3.73Å; D978-K1010 PolarHBondContact OD2-NZ 3.04Å; N1006-K1010 WeakPolarHBondContact O-CB 3.26Å; N1006-K1010 PolarHBondContact O-N 3.4Å; Q1007-K1010 PolarHBondContact O-N 3.14Å; K1010-R1013 PolarHBondContact O-N 3.47Å; K1010-K1014 PolarHBondContact O-N 3.4Å |
| 1011 | T | 87.3 | Confident | 85.5 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.9 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | I930 Q934 Q1007 A1008 K1014 A1015 | I930-T1011 HydrophobicContact CG2-CG2 4.14Å; Q934-T1011 HydrophobicContact CG-CG2 3.86Å; Q1007-T1011 HydrophobicContact CG-CG2 4.5Å; Q1007-T1011 WeakPolarHBondContact O-CG2 3.39Å; Q1007-T1011 PolarHBondContact O-N 3.19Å; Q1007-T1011 PolarHBondContact O-OG1 2.89Å; Q1007-T1011 VanDerWaalsContact O-OG1 3.08Å; A1008-T1011 PolarHBondContact O-OG1 3.36Å; A1008-T1011 VanDerWaalsContact O-OG1 3.07Å; T1011-K1014 PolarHBondContact O-N 3.17Å; T1011-A1015 WeakPolarHBondContact O-CB 3.47Å; T1011-A1015 PolarHBondContact O-N 3.25Å |
| 1012 | K | 91 | Very high | 85.6 | Confident | 60 Ų | 60 | 57.6 Ų | 57.6 | 26% | 0.261 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 172.8 | -179.4 | 178.3 | 175 | 175.7 | 0 | 111.8 | F933 L946 A1008 I1009 K1014 A1015 Q1016 | F933-K1012 HydrophobicContact CD1-CB 4.42Å; F933-K1012 HydrophobicContact CD2-CB 3.97Å; F933-K1012 HydrophobicContact CE1-CB 4.35Å; F933-K1012 HydrophobicContact CE1-CG 4.22Å; F933-K1012 HydrophobicContact CE2-CB 3.87Å; F933-K1012 HydrophobicContact CE2-CD 4.4Å; F933-K1012 HydrophobicContact CE2-CG 4.37Å; F933-K1012 HydrophobicContact CG-CB 4.26Å; F933-K1012 HydrophobicContact CZ-CB 4.08Å; F933-K1012 HydrophobicContact CZ-CD 4.02Å; F933-K1012 HydrophobicContact CZ-CG 4.08Å; L946-K1012 HydrophobicContact CD2-CD 4.19Å; A1008-K1012 VanDerWaalsContact O-CB 3.23Å; A1008-K1012 WeakPolarHBondContact O-CB 3.28Å; A1008-K1012 PolarHBondContact O-N 2.88Å; I1009-K1012 PolarHBondContact O-N 3.45Å; K1012-K1014 VanDerWaalsContact C-N 3.35Å; K1012-K1014 PolarHBondContact O-N 3.43Å; K1012-A1015 PolarHBondContact O-N 2.92Å; K1012-Q1016 WeakPolarHBondContact O-CB 3.32Å; K1012-Q1016 PolarHBondContact O-N 3.33Å |
| 1013 | R | 89.9 | Confident | 85.7 | Confident | 170 Ų | 170 | 57.9 Ų | 57.9 | 64% | 0.642 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.6 | -39.9 | 176.5 | -75.7 | 179.2 | -179.1 | 168.2 | 2 | 112 | I1009 K1010 Q1016 T1017 | I1009-R1013 WeakPolarHBondContact O-CG 3.42Å; I1009-R1013 PolarHBondContact O-N 3.08Å; K1010-R1013 PolarHBondContact O-N 3.47Å; R1013-Q1016 PolarHBondContact O-N 3.49Å; R1013-T1017 WeakPolarHBondContact O-CB 3.37Å; R1013-T1017 WeakPolarHBondContact O-CG2 3.49Å; R1013-T1017 PolarHBondContact O-N 3.29Å; R1013-T1017 PolarHBondContact O-OG1 3.07Å |
| 1014 | K | 87.1 | Confident | 85.8 | Confident | 140 Ų | 140 | 60 Ų | 60 | 61% | 0.609 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.5 | -45.8 | 175.5 | -170.4 | 179 | -179.8 | -179.5 | 0 | 111.8 | K1010 T1011 K1012 Q1016 T1017 N1018 | K1010-K1014 PolarHBondContact O-N 3.4Å; T1011-K1014 PolarHBondContact O-N 3.17Å; K1012-K1014 VanDerWaalsContact C-N 3.35Å; K1012-K1014 PolarHBondContact O-N 3.43Å; K1014-Q1016 PolarHBondContact O-N 3.23Å; K1014-T1017 WeakPolarHBondContact CA-OG1 3.18Å; K1014-T1017 PolarHBondContact O-N 3.02Å; K1014-T1017 PolarHBondContact O-OG1 3.02Å; K1014-N1018 WeakPolarHBondContact O-CB 3.44Å; K1014-N1018 VanDerWaalsContact O-CG 3.26Å; K1014-N1018 PolarHBondContact O-N 3.5Å; K1014-N1018 PolarHBondContact O-ND2 3.1Å |
| 1015 | A | 84.9 | Confident | 85.7 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F939 T1011 K1012 N1018 L1019 | F939-A1015 HydrophobicContact CD2-CB 4.35Å; F939-A1015 HydrophobicContact CE2-CB 3.81Å; T1011-A1015 WeakPolarHBondContact O-CB 3.47Å; T1011-A1015 PolarHBondContact O-N 3.25Å; K1012-A1015 PolarHBondContact O-N 2.92Å; A1015-N1018 PolarHBondContact O-N 3.46Å; A1015-L1019 WeakPolarHBondContact O-CB 3.42Å; A1015-L1019 PolarHBondContact O-N 3.42Å |
| 1016 | Q | 85.9 | Confident | 85.5 | Confident | 101 Ų | 101 | 68.5 Ų | 68.5 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.5 | -40 | 178 | -171.2 | 176.4 | -4.9 | 0 | 0 | 112.8 | K1012 R1013 K1014 L1019 T1020 | K1012-Q1016 WeakPolarHBondContact O-CB 3.32Å; K1012-Q1016 PolarHBondContact O-N 3.33Å; R1013-Q1016 PolarHBondContact O-N 3.49Å; K1014-Q1016 PolarHBondContact O-N 3.23Å; Q1016-L1019 WeakPolarHBondContact O-CB 3.45Å; Q1016-L1019 PolarHBondContact O-N 2.88Å; Q1016-T1020 WeakPolarHBondContact O-CG2 3.4Å; Q1016-T1020 PolarHBondContact O-N 3.31Å; Q1016-T1020 PolarHBondContact O-OG1 3.01Å |
| 1017 | T | 86.6 | Confident | 85.4 | Confident | 71 Ų | 71 | 70.1 Ų | 70.1 | 44% | 0.436 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.4 | -39 | 176.1 | 45.3 | 0 | 0 | 0 | 0 | 112 | R1013 K1014 L1019 T1020 N1021 | R1013-T1017 WeakPolarHBondContact O-CB 3.37Å; R1013-T1017 WeakPolarHBondContact O-CG2 3.49Å; R1013-T1017 PolarHBondContact O-N 3.29Å; R1013-T1017 PolarHBondContact O-OG1 3.07Å; K1014-T1017 WeakPolarHBondContact CA-OG1 3.18Å; K1014-T1017 PolarHBondContact O-N 3.02Å; K1014-T1017 PolarHBondContact O-OG1 3.02Å; T1017-L1019 VanDerWaalsContact C-N 3.34Å; T1017-T1020 VanDerWaalsContact CA-OG1 3.31Å; T1017-T1020 WeakPolarHBondContact CA-OG1 3.48Å; T1017-T1020 PolarHBondContact O-N 3.46Å; T1017-T1020 PolarHBondContact O-OG1 3.3Å; T1017-N1021 WeakPolarHBondContact O-CB 3.42Å; T1017-N1021 PolarHBondContact O-N 3Å; T1017-N1021 PolarHBondContact O-ND2 3.01Å |
| 1018 | N | 83.2 | Confident | 85.1 | Confident | 67 Ų | 67 | 73.3 Ų | 73.3 | 36% | 0.358 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 170.8 | -72.7 | -15.1 | 0 | 0 | 0 | 111.3 | K1014 A1015 T1020 N1021 C1022 | K1014-N1018 WeakPolarHBondContact O-CB 3.44Å; K1014-N1018 VanDerWaalsContact O-CG 3.26Å; K1014-N1018 PolarHBondContact O-N 3.5Å; K1014-N1018 PolarHBondContact O-ND2 3.1Å; A1015-N1018 PolarHBondContact O-N 3.46Å; N1018-T1020 PolarHBondContact O-N 3.48Å; N1018-N1021 PolarHBondContact O-N 3.39Å; N1018-C1022 PolarHBondContact O-N 3.29Å; N1018-C1022 PolarHBondContact O-SG 3.02Å |
| 1019 | L | 81.6 | Confident | 84.8 | Confident | 60 Ų | 60 | 78.3 Ų | 78.3 | 31% | 0.314 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.4 | 178.7 | 68.4 | 0 | 0 | 0 | 111.6 | L754 A1015 Q1016 T1017 N1021 C1022 I1023 | L754-L1019 HydrophobicContact CB-CD1 4.28Å; L754-L1019 HydrophobicContact CD1-CB 4.29Å; L754-L1019 HydrophobicContact CD1-CD2 4.13Å; A1015-L1019 WeakPolarHBondContact O-CB 3.42Å; A1015-L1019 PolarHBondContact O-N 3.42Å; Q1016-L1019 WeakPolarHBondContact O-CB 3.45Å; Q1016-L1019 PolarHBondContact O-N 2.88Å; T1017-L1019 VanDerWaalsContact C-N 3.34Å; L1019-N1021 VanDerWaalsContact C-N 3.28Å; L1019-N1021 PolarHBondContact O-N 3.34Å; L1019-C1022 PolarHBondContact O-N 3.32Å; L1019-I1023 HydrophobicContact CD1-CD1 4.05Å; L1019-I1023 HydrophobicContact CD1-CG1 4.34Å; L1019-I1023 HydrophobicContact CD2-CD1 4.43Å; L1019-I1023 HydrophobicContact CG-CD1 3.85Å; L1019-I1023 HydrophobicContact CG-CG1 4.48Å; L1019-I1023 VanDerWaalsContact O-CG1 3.31Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.4Å; L1019-I1023 PolarHBondContact O-N 3.07Å |
| 1020 | T | 85 | Confident | 84.5 | Confident | 73 Ų | 73 | 78.7 Ų | 78.7 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 178.7 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | Q1016 T1017 N1018 I1023 A1024 | Q1016-T1020 WeakPolarHBondContact O-CG2 3.4Å; Q1016-T1020 PolarHBondContact O-N 3.31Å; Q1016-T1020 PolarHBondContact O-OG1 3.01Å; T1017-T1020 VanDerWaalsContact CA-OG1 3.31Å; T1017-T1020 WeakPolarHBondContact CA-OG1 3.48Å; T1017-T1020 PolarHBondContact O-N 3.46Å; T1017-T1020 PolarHBondContact O-OG1 3.3Å; N1018-T1020 PolarHBondContact O-N 3.48Å; T1020-I1023 PolarHBondContact O-N 3.47Å; T1020-A1024 WeakPolarHBondContact O-CB 3.41Å; T1020-A1024 PolarHBondContact O-N 3.16Å |
| 1021 | N | 84.5 | Confident | 84 | Confident | 91 Ų | 91 | 79.4 Ų | 79.4 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 176 | -70.2 | -15 | 0 | 0 | 0 | 111.6 | T1017 N1018 L1019 A1024 Q1025 | T1017-N1021 WeakPolarHBondContact O-CB 3.42Å; T1017-N1021 PolarHBondContact O-N 3Å; T1017-N1021 PolarHBondContact O-ND2 3.01Å; N1018-N1021 PolarHBondContact O-N 3.39Å; L1019-N1021 VanDerWaalsContact C-N 3.28Å; L1019-N1021 PolarHBondContact O-N 3.34Å; N1021-A1024 PolarHBondContact O-N 3.36Å; N1021-Q1025 WeakPolarHBondContact O-CB 3.4Å; N1021-Q1025 VanDerWaalsContact O-CG 3.32Å; N1021-Q1025 WeakPolarHBondContact O-CG 3.26Å; N1021-Q1025 PolarHBondContact O-N 3.14Å |
| 1022 | C | 81 | Confident | 83.5 | Confident | 40 Ų | 40 | 83.4 Ų | 83.4 | 27% | 0.27 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 175.5 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | N1018 L1019 Q1025 S1026 | N1018-C1022 PolarHBondContact O-N 3.29Å; N1018-C1022 PolarHBondContact O-SG 3.02Å; L1019-C1022 PolarHBondContact O-N 3.32Å; C1022-Q1025 PolarHBondContact O-N 3.32Å; C1022-S1026 WeakPolarHBondContact O-CB 3.49Å; C1022-S1026 PolarHBondContact O-N 2.54Å; C1022-S1026 PolarHBondContact O-OG 3.37Å |
| 1023 | I | 82.5 | Confident | 83 | Confident | 81 Ų | 81 | 86.4 Ų | 86.4 | 42% | 0.415 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 175.4 | -67.8 | 169.4 | 0 | 0 | 0 | 110.4 | L1019 T1020 Q1025 S1026 L1027 | L1019-I1023 HydrophobicContact CD1-CD1 4.05Å; L1019-I1023 HydrophobicContact CD1-CG1 4.34Å; L1019-I1023 HydrophobicContact CD2-CD1 4.43Å; L1019-I1023 HydrophobicContact CG-CD1 3.85Å; L1019-I1023 HydrophobicContact CG-CG1 4.48Å; L1019-I1023 VanDerWaalsContact O-CG1 3.31Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.4Å; L1019-I1023 PolarHBondContact O-N 3.07Å; T1020-I1023 PolarHBondContact O-N 3.47Å; I1023-Q1025 PolarHBondContact O-N 2.79Å; I1023-S1026 WeakPolarHBondContact CA-OG 3.26Å; I1023-S1026 PolarHBondContact O-N 3.29Å; I1023-S1026 PolarHBondContact O-OG 3.48Å; I1023-L1027 HydrophobicContact CG2-CD1 3.9Å; I1023-L1027 HydrophobicContact CG2-CG 4.38Å; I1023-L1027 WeakPolarHBondContact O-CB 3.21Å; I1023-L1027 WeakPolarHBondContact O-CG 3.31Å; I1023-L1027 PolarHBondContact O-N 3.47Å |
| 1024 | A | 84.7 | Confident | 82.4 | Confident | 49 Ų | 49 | 88 Ų | 88 | 41% | 0.405 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | T1020 N1021 L1027 C1028 | T1020-A1024 WeakPolarHBondContact O-CB 3.41Å; T1020-A1024 PolarHBondContact O-N 3.16Å; N1021-A1024 PolarHBondContact O-N 3.36Å; A1024-L1027 PolarHBondContact O-N 2.92Å; A1024-C1028 PolarHBondContact O-N 3.28Å; A1024-C1028 PolarHBondContact O-SG 3.13Å |
| 1025 | Q | 82.8 | Confident | 81.9 | Confident | 137 Ų | 137 | 84.7 Ų | 84.7 | 64% | 0.64 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 177.3 | -75.5 | 176.2 | -4.9 | 0 | 0 | 112.6 | N1021 C1022 I1023 C1028 L1029 | N1021-Q1025 WeakPolarHBondContact O-CB 3.4Å; N1021-Q1025 VanDerWaalsContact O-CG 3.32Å; N1021-Q1025 WeakPolarHBondContact O-CG 3.26Å; N1021-Q1025 PolarHBondContact O-N 3.14Å; C1022-Q1025 PolarHBondContact O-N 3.32Å; I1023-Q1025 PolarHBondContact O-N 2.79Å; Q1025-C1028 PolarHBondContact O-N 3.01Å; Q1025-L1029 WeakPolarHBondContact O-CB 3.45Å; Q1025-L1029 PolarHBondContact O-N 2.57Å |
| 1026 | S | 80.9 | Confident | 81.2 | Confident | 63 Ų | 63 | 87.4 Ų | 87.4 | 44% | 0.441 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 177.3 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | C1022 I1023 L1029 V1030 | C1022-S1026 WeakPolarHBondContact O-CB 3.49Å; C1022-S1026 PolarHBondContact O-N 2.54Å; C1022-S1026 PolarHBondContact O-OG 3.37Å; I1023-S1026 WeakPolarHBondContact CA-OG 3.26Å; I1023-S1026 PolarHBondContact O-N 3.29Å; I1023-S1026 PolarHBondContact O-OG 3.48Å; S1026-L1029 PolarHBondContact O-N 3.12Å; S1026-V1030 WeakPolarHBondContact O-CG2 3.43Å; S1026-V1030 PolarHBondContact O-N 3.29Å |
| 1027 | L | 83 | Confident | 80.5 | Confident | 99 Ų | 99 | 87.3 Ų | 87.3 | 52% | 0.518 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 172.8 | -74.5 | 170.2 | 0 | 0 | 0 | 110.9 | I1023 A1024 L1029 V1030 D1031 | I1023-L1027 HydrophobicContact CG2-CD1 3.9Å; I1023-L1027 HydrophobicContact CG2-CG 4.38Å; I1023-L1027 WeakPolarHBondContact O-CB 3.21Å; I1023-L1027 WeakPolarHBondContact O-CG 3.31Å; I1023-L1027 PolarHBondContact O-N 3.47Å; A1024-L1027 PolarHBondContact O-N 2.92Å; L1027-L1029 VanDerWaalsContact C-N 3.26Å; L1027-L1029 PolarHBondContact O-N 3.34Å; L1027-V1030 PolarHBondContact O-N 3.24Å; L1027-D1031 PolarHBondContact O-N 3.39Å |
| 1028 | C | 80.7 | Confident | 79.3 | Confident | 88 Ų | 88 | 87.2 Ų | 87.2 | 60% | 0.595 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.5 | -38.7 | 174.9 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | A1024 Q1025 F1032 | A1024-C1028 PolarHBondContact O-N 3.28Å; A1024-C1028 PolarHBondContact O-SG 3.13Å; Q1025-C1028 PolarHBondContact O-N 3.01Å; C1028-F1032 WeakPolarHBondContact O-CB 3.44Å; C1028-F1032 PolarHBondContact O-N 2.89Å |
| 1029 | L | 81.7 | Confident | 78.2 | Confident | 105 Ų | 105 | 85.2 Ų | 85.2 | 55% | 0.55 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 179.2 | -163.3 | 152.6 | 0 | 0 | 0 | 112.1 | Q1025 S1026 L1027 D1031 F1032 I1033 | Q1025-L1029 WeakPolarHBondContact O-CB 3.45Å; Q1025-L1029 PolarHBondContact O-N 2.57Å; S1026-L1029 PolarHBondContact O-N 3.12Å; L1027-L1029 VanDerWaalsContact C-N 3.26Å; L1027-L1029 PolarHBondContact O-N 3.34Å; L1029-D1031 VanDerWaalsContact C-N 3.34Å; L1029-F1032 PolarHBondContact O-N 3.49Å; L1029-I1033 HydrophobicContact CD2-CD1 3.5Å; L1029-I1033 VanDerWaalsContact CD2-CD1 3.5Å; L1029-I1033 HydrophobicContact CD2-CG1 4.17Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.43Å; L1029-I1033 PolarHBondContact O-N 3.17Å |
| 1030 | V | 80.9 | Confident | 77.2 | Confident | 64 Ų | 64 | 88.6 Ų | 88.6 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 111 | S1026 L1027 F1032 I1033 R1034 | S1026-V1030 WeakPolarHBondContact O-CG2 3.43Å; S1026-V1030 PolarHBondContact O-N 3.29Å; L1027-V1030 PolarHBondContact O-N 3.24Å; V1030-F1032 VanDerWaalsContact C-N 3.34Å; V1030-I1033 PolarHBondContact O-N 2.91Å; V1030-R1034 WeakPolarHBondContact O-CB 3.24Å; V1030-R1034 WeakPolarHBondContact O-CG 3.46Å; V1030-R1034 PolarHBondContact O-N 3.45Å |
| 1031 | D | 78.1 | Confident | 75.9 | Confident | 93 Ų | 93 | 93 Ų | 93 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 176.4 | -72.8 | -19.6 | 0 | 0 | 0 | 111.4 | L1027 L1029 R1034 N1035 | L1027-D1031 PolarHBondContact O-N 3.39Å; L1029-D1031 VanDerWaalsContact C-N 3.34Å; D1031-R1034 PolarHBondContact O-N 2.8Å; D1031-N1035 PolarHBondContact O-N 2.82Å |
| 1032 | F | 78.4 | Confident | 74.3 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 43% | 0.425 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 172.4 | -177.6 | -93.3 | 0 | 0 | 0 | 112.9 | C1028 L1029 V1030 N1035 P1036 A1039 L1040 | C1028-F1032 WeakPolarHBondContact O-CB 3.44Å; C1028-F1032 PolarHBondContact O-N 2.89Å; L1029-F1032 PolarHBondContact O-N 3.49Å; V1030-F1032 VanDerWaalsContact C-N 3.34Å; F1032-N1035 CarbonylContact O-C 3.57Å; F1032-P1036 VanDerWaalsContact O-CA 3.27Å; F1032-P1036 WeakPolarHBondContact O-CA 3.11Å; F1032-P1036 WeakPolarHBondContact O-CD 3.25Å; F1032-P1036 VanDerWaalsContact O-N 3.12Å; F1032-A1039 HydrophobicContact CB-CB 4.03Å; F1032-A1039 HydrophobicContact CD2-CB 3.7Å; F1032-A1039 HydrophobicContact CG-CB 4.31Å; F1032-L1040 HydrophobicContact CE2-CD2 4.19Å; F1032-L1040 HydrophobicContact CE2-CG 4.05Å |
| 1033 | I | 79.3 | Confident | 74 | Confident | 122 Ų | 122 | 101.8 Ų | 101.8 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68 | -40.8 | 177.6 | -69 | 172.9 | 0 | 0 | 0 | 111.4 | L1029 V1030 | L1029-I1033 HydrophobicContact CD2-CD1 3.5Å; L1029-I1033 VanDerWaalsContact CD2-CD1 3.5Å; L1029-I1033 HydrophobicContact CD2-CG1 4.17Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.43Å; L1029-I1033 PolarHBondContact O-N 3.17Å; V1030-I1033 PolarHBondContact O-N 2.91Å |
| 1034 | R | 78.4 | Confident | 73.5 | Confident | 203 Ų | 203 | 102.9 Ų | 102.9 | 77% | 0.766 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.7 | -36.4 | -178.7 | -78.1 | -180 | 172.8 | 176 | -0.7 | 112.4 | V1030 D1031 | V1030-R1034 WeakPolarHBondContact O-CB 3.24Å; V1030-R1034 WeakPolarHBondContact O-CG 3.46Å; V1030-R1034 PolarHBondContact O-N 3.45Å; D1031-R1034 PolarHBondContact O-N 2.8Å |
| 1035 | N | 76 | Confident | 72.9 | Confident | 72 Ų | 72 | 105.9 Ų | 105.9 | 39% | 0.385 | 56% | 0.557 | S | S | . | * | trans | -150.4 | 82.4 | -178.4 | -160.9 | -4.8 | 0 | 0 | 0 | 111.2 | D1031 F1032 V1037 T1038 A1039 | D1031-N1035 PolarHBondContact O-N 2.82Å; F1032-N1035 CarbonylContact O-C 3.57Å; N1035-V1037 PolarHBondContact O-N 3.11Å; N1035-V1037 VanDerWaalsContact O-N 3.14Å; N1035-T1038 VanDerWaalsContact CB-OG1 3.24Å; N1035-T1038 WeakPolarHBondContact CB-OG1 3.27Å; N1035-T1038 WeakPolarHBondContact ND2-CG2 3.27Å; N1035-T1038 PolarHBondContact ND2-OG1 3.05Å; N1035-T1038 PolarHBondContact O-N 3Å; N1035-T1038 PolarHBondContact O-OG1 2.85Å; N1035-T1038 VanDerWaalsContact O-OG1 3.06Å; N1035-A1039 PolarHBondContact O-N 3.31Å | ||
| 1036 | P | 71.1 | Confident | 72.3 | Confident | 59 Ų | 59 | 104.1 Ų | 104.1 | 38% | 0.383 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -26.8 | -177.1 | 23.6 | -33.3 | 0 | 0 | 0 | 111.9 | F1032 L1040 | F1032-P1036 VanDerWaalsContact O-CA 3.27Å; F1032-P1036 WeakPolarHBondContact O-CA 3.11Å; F1032-P1036 WeakPolarHBondContact O-CD 3.25Å; F1032-P1036 VanDerWaalsContact O-N 3.12Å; P1036-L1040 WeakPolarHBondContact O-CB 3.49Å; P1036-L1040 WeakPolarHBondContact O-CD1 3.48Å; P1036-L1040 WeakPolarHBondContact O-CG 3.1Å; P1036-L1040 PolarHBondContact O-N 3.35Å; P1036-L1040 VanDerWaalsContact O-N 3.11Å |
| 1037 | V | 69.8 | Low | 71.8 | Confident | 100 Ų | 100 | 106.6 Ų | 106.6 | 61% | 0.606 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.6 | -38.9 | -177.8 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | N1035 | N1035-V1037 PolarHBondContact O-N 3.11Å; N1035-V1037 VanDerWaalsContact O-N 3.14Å |
| 1038 | T | 62.5 | Low | 71 | Confident | 69 Ų | 69 | 107.1 Ų | 107.1 | 42% | 0.423 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -79.1 | -33.2 | 176.3 | 47 | 0 | 0 | 0 | 0 | 112.4 | N1035 Q1041 | N1035-T1038 VanDerWaalsContact CB-OG1 3.24Å; N1035-T1038 WeakPolarHBondContact CB-OG1 3.27Å; N1035-T1038 WeakPolarHBondContact ND2-CG2 3.27Å; N1035-T1038 PolarHBondContact ND2-OG1 3.05Å; N1035-T1038 PolarHBondContact O-N 3Å; N1035-T1038 PolarHBondContact O-OG1 2.85Å; N1035-T1038 VanDerWaalsContact O-OG1 3.06Å; T1038-Q1041 PolarHBondContact O-N 3.48Å |
| 1039 | A | 59.5 | Low | 70.4 | Confident | 25 Ų | 25 | 108.5 Ų | 108.5 | 21% | 0.207 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -74.6 | -24.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1032 N1035 Q1041 | F1032-A1039 HydrophobicContact CB-CB 4.03Å; F1032-A1039 HydrophobicContact CD2-CB 3.7Å; F1032-A1039 HydrophobicContact CG-CB 4.31Å; N1035-A1039 PolarHBondContact O-N 3.31Å; A1039-Q1041 VanDerWaalsContact C-N 3.28Å |
| 1040 | L | 60.5 | Low | 69.5 | Low | 131 Ų | 131 | 108.8 Ų | 108.8 | 69% | 0.686 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -7.3 | 172.3 | -75.3 | 165.9 | 0 | 0 | 0 | 113.7 | F1032 P1036 | F1032-L1040 HydrophobicContact CE2-CD2 4.19Å; F1032-L1040 HydrophobicContact CE2-CG 4.05Å; P1036-L1040 WeakPolarHBondContact O-CB 3.49Å; P1036-L1040 WeakPolarHBondContact O-CD1 3.48Å; P1036-L1040 WeakPolarHBondContact O-CG 3.1Å; P1036-L1040 PolarHBondContact O-N 3.35Å; P1036-L1040 VanDerWaalsContact O-N 3.11Å |
| 1041 | Q | 58.6 | Low | 68.5 | Low | 166 Ų | 166 | 112.5 Ų | 112.5 | 78% | 0.776 | 58% | 0.575 | S | S | * | * | trans | -99.3 | -9.2 | 176.8 | -73.2 | -175.5 | -24.9 | 0 | 0 | 113.6 | T1038 A1039 | T1038-Q1041 PolarHBondContact O-N 3.48Å; A1039-Q1041 VanDerWaalsContact C-N 3.28Å | ||
| 1042 | L | 50.3 | Low | 67.7 | Low | 213 Ų | 213 | 114.3 Ų | 114.3 | 100% | 1.115 | 58% | 0.582 | S | S | * | * | trans | -101.9 | 0 | 171.9 | -75.9 | 164.5 | 0 | 0 | 0 | 109.4 |
Retrieved 1,042 of 1,042 residues in 1787.4 ms
(Link to these results)