| 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 | 28.6 | Very low | 66.3 | Low | 227 Ų | 227 | 60.1 Ų | 60.1 | 100% | 1.118 | 34% | 0.341 | S | S | * | . | 0 | 142.2 | 0 | -66.3 | -149.3 | 177.2 | 0 | 0 | 108 | R3 | M1-R3 PolarHBondContact O-N 3.1Å; M1-R3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | P | 31.7 | Very low | 68.1 | Low | 108 Ų | 108 | 60.9 Ų | 60.9 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | trans | -60.1 | 118.5 | 173.7 | 25.9 | -29.7 | 0 | 0 | 0 | 107.2 | T4 | P2-T4 PolarHBondContact O-N 3.35Å; P2-T4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | R | 43.9 | Very low | 69.5 | Low | 137 Ų | 137 | 60.4 Ų | 60.4 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | trans | -66.4 | 112.9 | 178.3 | -75.1 | -179.4 | 173.6 | 173.2 | 1 | 106.1 | M1 G5 E672 | M1-R3 PolarHBondContact O-N 3.1Å; M1-R3 VanDerWaalsContact O-N 3.1Å; R3-G5 PolarHBondContact O-N 3.46Å; R3-G5 VanDerWaalsContact O-N 3.1Å; R3-E672 IonicContact NH2-OE1 2.82Å; R3-E672 IonicContact NH2-OE2 3.21Å; R3-E672 PolarHBondContact NH2-OE2 3.26Å | ||
| 4 | T | 46.7 | Very low | 71 | Confident | 97 Ų | 97 | 56.9 Ų | 56.9 | 60% | 0.595 | 31% | 0.31 | S | S | * | . | trans | -68.7 | 103.3 | 175.7 | 52.6 | 0 | 0 | 0 | 0 | 108.1 | P2 E652 | P2-T4 PolarHBondContact O-N 3.35Å; P2-T4 VanDerWaalsContact O-N 3.17Å; T4-E652 WeakPolarHBondContact CA-OE2 3.18Å | ||
| 5 | G | 64.8 | Low | 72.4 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 89.6 | -171.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 118 | R3 E652 E654 | R3-G5 PolarHBondContact O-N 3.46Å; R3-G5 VanDerWaalsContact O-N 3.1Å; G5-E652 PolarHBondContact N-OE2 2.93Å; G5-E654 WeakPolarHBondContact CA-OE1 3.45Å |
| 6 | S | 79.3 | Confident | 73.5 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | trans | -65.7 | 133.9 | -176.7 | 168.8 | 0 | 0 | 0 | 0 | 111.9 | L8 F9 D598 F600 R634 E654 | S6-L8 PolarHBondContact OG-N 3.16Å; S6-F9 WeakPolarHBondContact CB-O 3.41Å; S6-F9 PolarHBondContact OG-N 3.42Å; S6-F9 PolarHBondContact OG-O 3.34Å; S6-D598 PolarHBondContact OG-OD2 2.7Å; S6-F600 VanDerWaalsContact CB-CD1 3.48Å; S6-R634 PolarHBondContact O-NH1 3.19Å; S6-E654 PolarHBondContact N-OE1 3.4Å | ||
| 7 | A | 81.6 | Confident | 74.6 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -74.6 | -30.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D598 V640 | A7-D598 PolarHBondContact N-OD1 3.18Å; A7-V640 HydrophobicContact CB-CG1 4.4Å |
| 8 | L | 87.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -103.1 | -40 | -168 | -146 | 154.9 | 0 | 0 | 0 | 112.1 | S6 W576 T588 D598 N633 R634 L642 | S6-L8 PolarHBondContact OG-N 3.16Å; L8-W576 HydrophobicContact CD1-CD2 4.38Å; L8-W576 HydrophobicContact CD1-CE3 4.25Å; L8-W576 HydrophobicContact CD1-CH2 3.88Å; L8-W576 HydrophobicContact CD1-CZ2 4.01Å; L8-W576 HydrophobicContact CD1-CZ3 4.01Å; L8-W576 HydrophobicContact CD2-CE3 4.15Å; L8-W576 HydrophobicContact CD2-CH2 3.84Å; L8-W576 HydrophobicContact CD2-CZ3 3.49Å; L8-W576 VanDerWaalsContact CD2-CZ3 3.49Å; L8-W576 HydrophobicContact CG-CH2 4.21Å; L8-W576 HydrophobicContact CG-CZ3 4.28Å; L8-T588 HydrophobicContact CD1-CG2 4.29Å; L8-D598 HydrophobicContact CB-CB 4.36Å; L8-D598 VanDerWaalsContact CB-OD2 3.25Å; L8-D598 WeakPolarHBondContact CB-OD2 3.2Å; L8-D598 PolarHBondContact N-OD2 2.73Å; L8-N633 WeakPolarHBondContact CD2-OD1 3.37Å; L8-R634 WeakPolarHBondContact O-CB 3.38Å; L8-R634 PolarHBondContact O-N 3.12Å; L8-L642 HydrophobicContact CD1-CD1 3.88Å; L8-L642 HydrophobicContact CD1-CD2 3.74Å; L8-L642 HydrophobicContact CG-CD2 4.37Å |
| 9 | F | 90.3 | Very high | 76.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.8 | -174.6 | -64 | -66.3 | 0 | 0 | 0 | 111.6 | S6 V578 F600 M611 L618 W631 T632 N633 | S6-F9 WeakPolarHBondContact CB-O 3.41Å; S6-F9 PolarHBondContact OG-N 3.42Å; S6-F9 PolarHBondContact OG-O 3.34Å; F9-V578 HydrophobicContact CE2-CG2 4.14Å; F9-V578 HydrophobicContact CZ-CG2 4.07Å; F9-F600 HydrophobicContact CB-CE1 4.31Å; F9-F600 HydrophobicContact CB-CZ 4.46Å; F9-F600 HydrophobicContact CD2-CE1 4.15Å; F9-M611 HydrophobicContact CE1-CE 4.14Å; F9-M611 HydrophobicContact CE1-SD 3.93Å; F9-M611 HydrophobicContact CZ-CE 4.27Å; F9-M611 HydrophobicContact CZ-SD 3.99Å; F9-L618 HydrophobicContact CD1-CB 3.87Å; F9-L618 HydrophobicContact CD1-CD2 4.12Å; F9-L618 HydrophobicContact CD2-CD2 4.02Å; F9-L618 HydrophobicContact CE1-CB 3.71Å; F9-L618 HydrophobicContact CE1-CD2 4.14Å; F9-L618 HydrophobicContact CE1-CG 4.43Å; F9-L618 HydrophobicContact CE2-CD2 4.02Å; F9-L618 HydrophobicContact CG-CD2 4.06Å; F9-L618 HydrophobicContact CZ-CB 4.31Å; F9-L618 HydrophobicContact CZ-CD2 4.08Å; F9-W631 HydrophobicContact CB-CB 4.03Å; F9-W631 HydrophobicContact CD1-CB 4.42Å; F9-T632 WeakPolarHBondContact CA-O 3.44Å; F9-N633 HydrophobicContact CE1-CB 4.34Å |
| 10 | S | 88.8 | Confident | 77.3 | Confident | 23 Ų | 23 | 43 Ų | 43 | 16% | 0.161 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.5 | 171.3 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | F12 W631 T632 R634 | S10-F12 PolarHBondContact O-N 2.83Å; S10-W631 CarbonylContact O-C 3.6Å; S10-W631 WeakPolarHBondContact O-CA 3.35Å; S10-T632 PolarHBondContact N-O 3.04Å; S10-T632 PolarHBondContact O-N 3Å; S10-T632 PolarHBondContact O-OG1 3.35Å; S10-T632 PolarHBondContact OG-OG1 3.43Å; S10-R634 PolarHBondContact OG-NE 3.05Å |
| 11 | G | 86.3 | Confident | 78 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 132 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 12 | F | 86.8 | Confident | 81.2 | Confident | 70 Ų | 70 | 36.6 Ų | 36.6 | 31% | 0.307 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -67 | -177 | -178.9 | -119 | 0 | 0 | 0 | 113.2 | S10 F617 L630 T632 A661 | S10-F12 PolarHBondContact O-N 2.83Å; F12-F617 HydrophobicContact CD1-CD1 4.28Å; F12-F617 AromaticContact CD1-CE1 3.53Å; F12-F617 HydrophobicContact CD1-CE1 3.53Å; F12-F617 HydrophobicContact CD1-CZ 4.24Å; F12-F617 AromaticContact CE1-CE1 3.8Å; F12-F617 HydrophobicContact CE1-CE1 3.8Å; F12-F617 HydrophobicContact CE1-CZ 4.04Å; F12-F617 HydrophobicContact CG-CE1 4.04Å; F12-F617 HydrophobicContact CZ-CE1 4.49Å; F12-L630 HydrophobicContact CB-CB 4.4Å; F12-L630 WeakPolarHBondContact CB-O 3.45Å; F12-L630 HydrophobicContact CD1-CB 4.32Å; F12-L630 HydrophobicContact CD1-CD1 4.29Å; F12-L630 PolarHBondContact N-O 3.23Å; F12-T632 HydrophobicContact CB-CG2 3.83Å; F12-T632 HydrophobicContact CD2-CG2 3.9Å; F12-T632 HydrophobicContact CG-CG2 3.86Å; F12-A661 WeakPolarHBondContact O-CB 3.41Å |
| 13 | R | 87.3 | Confident | 84.1 | Confident | 54 Ų | 54 | 34.7 Ų | 34.7 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 164.9 | 179.9 | 75.5 | -174.3 | -166 | -174.3 | 9.7 | 112 | L15 S347 T348 V349 L630 | R13-L15 HydrophobicContact CG-CD2 4.3Å; R13-S347 PolarHBondContact NH2-O 2.82Å; R13-S347 VanDerWaalsContact NH2-O 3.15Å; R13-T348 PolarHBondContact NH1-O 3.46Å; R13-T348 PolarHBondContact NH2-O 2.74Å; R13-V349 PolarHBondContact NH1-O 3.38Å; R13-V349 PolarHBondContact NH2-O 2.74Å; R13-L630 HydrophobicContact CG-CD1 4.01Å; R13-L630 WeakPolarHBondContact O-CB 3.49Å; R13-L630 PolarHBondContact O-N 2.87Å |
| 14 | V | 90.6 | Very high | 86.6 | Confident | 12 Ų | 12 | 28.7 Ų | 28.7 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.5 | 170.5 | -162.7 | 0 | 0 | 0 | 0 | 110.8 | L17 V628 Y629 P657 | V14-L17 HydrophobicContact CB-CD1 4.08Å; V14-L17 HydrophobicContact CG1-CD1 3.51Å; V14-L17 HydrophobicContact CG1-CG 3.91Å; V14-V628 CarbonylContact C-O 3.58Å; V14-V628 WeakPolarHBondContact CA-O 3.31Å; V14-Y629 HydrophobicContact CB-CD1 4.41Å; V14-Y629 HydrophobicContact CG1-CD1 4.19Å; V14-Y629 HydrophobicContact CG1-CE1 4.16Å; V14-Y629 HydrophobicContact CG1-CG 4.41Å; V14-Y629 HydrophobicContact CG2-CD1 3.49Å; V14-Y629 VanDerWaalsContact CG2-CD1 3.49Å; V14-Y629 HydrophobicContact CG2-CE1 3.53Å; V14-Y629 HydrophobicContact CG2-CG 4.38Å; V14-P657 WeakPolarHBondContact CG2-O 3.46Å |
| 15 | L | 92.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 151.1 | 173.4 | -56.6 | -177.4 | 0 | 0 | 0 | 111.2 | R13 L17 I334 F346 G627 V628 L630 | R13-L15 HydrophobicContact CG-CD2 4.3Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-I334 HydrophobicContact CD1-CD1 4.06Å; L15-F346 HydrophobicContact CB-CB 4.12Å; L15-F346 HydrophobicContact CB-CG 4.38Å; L15-F346 HydrophobicContact CD1-CB 3.87Å; L15-G627 WeakPolarHBondContact O-CA 3.46Å; L15-V628 HydrophobicContact CB-CB 4.41Å; L15-V628 PolarHBondContact N-O 3.5Å; L15-V628 PolarHBondContact O-N 2.99Å; L15-L630 HydrophobicContact CD1-CD1 3.88Å; L15-L630 HydrophobicContact CD1-CD2 4.2Å; L15-L630 HydrophobicContact CD1-CG 4.11Å; L15-L630 HydrophobicContact CD2-CD1 4.06Å; L15-L630 HydrophobicContact CG-CD1 3.91Å; L15-L630 HydrophobicContact CG-CG 4.09Å |
| 16 | G | 90.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 81.3 | 12.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N294 | G16-N294 PolarHBondContact O-ND2 3.12Š|
| 17 | L | 91.7 | Very high | 90.9 | Very high | 27 Ų | 27 | 26.6 Ų | 26.6 | 14% | 0.141 | 15% | 0.147 | C | C | . | . | trans | -107.3 | 124.2 | 173.1 | -59.4 | 178.8 | 0 | 0 | 0 | 110.8 | V14 L15 V41 H46 L626 | V14-L17 HydrophobicContact CB-CD1 4.08Å; V14-L17 HydrophobicContact CG1-CD1 3.51Å; V14-L17 HydrophobicContact CG1-CG 3.91Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L17-V41 HydrophobicContact CB-CG1 3.23Å; L17-V41 HydrophobicContact CD1-CG1 3.69Å; L17-V41 HydrophobicContact CG-CG1 4.04Å; L17-H46 PolarHBondContact O-CE1 3.44Å; L17-H46 VanDerWaalsContact O-CE1 3.26Å; L17-H46 PolarHBondContact O-ND1 3.31Å; L17-L626 HydrophobicContact CD2-CB 3.66Å | ||
| 18 | Y | 92.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | trans | -125.6 | -37.9 | -176.1 | -55.9 | -72.7 | 0 | 0 | 0 | 112 | T39 F48 N294 R314 Q315 G316 N354 | Y18-T39 WeakPolarHBondContact O-CB 3.39Å; Y18-T39 PolarHBondContact O-OG1 3.37Å; Y18-F48 HydrophobicContact CD1-CE1 4.24Å; Y18-F48 AromaticContact CD1-CZ 3.96Å; Y18-F48 HydrophobicContact CD1-CZ 3.96Å; Y18-N294 PolarHBondContact N-OD1 3.42Å; Y18-R314 HydrophobicContact CD1-CB 4.17Å; Y18-R314 HydrophobicContact CE1-CB 4.41Å; Y18-R314 HydrophobicContact CG-CB 4.31Å; Y18-Q315 WeakPolarHBondContact CE2-O 3.5Å; Y18-G316 VanDerWaalsContact CD2-N 3.28Å; Y18-G316 VanDerWaalsContact CE2-N 3.31Å; Y18-N354 PolarHBondContact OH-ND2 2.9Å | ||
| 19 | S | 93.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | trans | -158.8 | 164.2 | -178.8 | 67.6 | 0 | 0 | 0 | 0 | 114 | S40 N290 G291 N294 A295 | S19-S40 CarbonylContact C-O 3.6Å; S19-S40 WeakPolarHBondContact CA-O 3.45Å; S19-N290 WeakPolarHBondContact CB-OD1 3.2Å; S19-N290 PolarHBondContact OG-OD1 2.83Å; S19-G291 PolarHBondContact OG-O 3.1Å; S19-N294 PolarHBondContact N-OD1 2.69Å; S19-N294 WeakPolarHBondContact O-CA 3.36Å; S19-N294 PolarHBondContact O-OD1 3.37Å; S19-A295 PolarHBondContact OG-N 2.88Å; S19-A295 PolarHBondContact OG-O 3.46Å | ||
| 20 | N | 92.1 | Very high | 90.8 | Very high | 25 Ų | 25 | 37.7 Ų | 37.7 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | trans | -132.4 | -163 | 173.8 | 66.2 | 5 | 0 | 0 | 0 | 110.7 | V22 S40 G42 N290 | N20-V22 PolarHBondContact O-N 3.12Å; N20-V22 VanDerWaalsContact OD1-CB 3.28Å; N20-V22 WeakPolarHBondContact OD1-CB 3.47Å; N20-V22 WeakPolarHBondContact OD1-CG2 3.4Å; N20-V22 PolarHBondContact OD1-N 3.07Å; N20-S40 PolarHBondContact N-O 3.07Å; N20-S40 PolarHBondContact ND2-OG 3.33Å; N20-S40 WeakPolarHBondContact OD1-CB 3.28Å; N20-S40 PolarHBondContact OD1-O 3.38Å; N20-S40 VanDerWaalsContact OD1-O 3.1Å; N20-G42 PolarHBondContact ND2-N 3.41Å; N20-N290 PolarHBondContact O-ND2 3.11Å | ||
| 21 | H | 92.7 | Very high | 90.5 | Very high | 135 Ų | 135 | 45.5 Ų | 45.5 | 63% | 0.625 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -70.5 | -9.2 | -179.1 | 65 | -86.6 | 0 | 0 | 0 | 114.5 | A276 A292 | H21-A276 VanDerWaalsContact O-CB 3.27Å; H21-A276 WeakPolarHBondContact O-CB 3.45Å; H21-A292 HydrophobicContact CB-CB 3.84Å |
| 22 | V | 94.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -75.9 | 132.7 | -179.3 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | N20 H24 I66 T67 L69 N290 | N20-V22 PolarHBondContact O-N 3.12Å; N20-V22 VanDerWaalsContact OD1-CB 3.28Å; N20-V22 WeakPolarHBondContact OD1-CB 3.47Å; N20-V22 WeakPolarHBondContact OD1-CG2 3.4Å; N20-V22 PolarHBondContact OD1-N 3.07Å; V22-H24 PolarHBondContact O-N 2.96Å; V22-I66 WeakPolarHBondContact CG2-O 3.42Å; V22-T67 WeakPolarHBondContact CG1-O 3.44Å; V22-L69 HydrophobicContact CG1-CG 4.4Å; V22-N290 PolarHBondContact O-ND2 3.38Å |
| 23 | P | 94.3 | Very high | 90.3 | Very high | 68 Ų | 68 | 56 Ų | 56 | 44% | 0.442 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 136 | 172.4 | -30.8 | 38.2 | 0 | 0 | 0 | 112.6 | A277 | P23-A277 HydrophobicContact CB-CB 3.91Š|
| 24 | H | 95.8 | Very high | 90.5 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 149.2 | 175.9 | 68.9 | -94.9 | 0 | 0 | 0 | 111.1 | V22 V37 V38 T39 A277 T279 V288 N290 | V22-H24 PolarHBondContact O-N 2.96Å; H24-V37 HydrophobicContact CB-CG1 3.95Å; H24-V38 CarbonylContact C-O 3.53Å; H24-V38 VanDerWaalsContact CA-O 3.27Å; H24-V38 WeakPolarHBondContact CA-O 3.46Å; H24-V38 WeakPolarHBondContact CB-O 3.47Å; H24-T39 HydrophobicContact CB-CG2 3.83Å; H24-A277 WeakPolarHBondContact ND1-CB 3.38Å; H24-T279 PolarHBondContact NE2-OG1 3.33Å; H24-V288 PolarHBondContact CE1-O 3.22Å; H24-N290 HydrophobicContact CB-CB 4.21Å; H24-N290 WeakPolarHBondContact ND1-CB 3.28Å |
| 25 | A | 94.8 | Very high | 90.6 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V38 L69 A71 | A25-V38 HydrophobicContact CB-CB 4.35Å; A25-V38 PolarHBondContact N-O 2.95Å; A25-V38 PolarHBondContact O-N 3.39Å; A25-L69 HydrophobicContact CB-CB 4.36Å; A25-A71 HydrophobicContact CB-CB 3.89Å |
| 26 | L | 93.5 | Very high | 90.7 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131.5 | 175.6 | -173.3 | 74.2 | 0 | 0 | 0 | 109.8 | F35 V37 V50 L281 | L26-F35 HydrophobicContact CD1-CB 4.31Å; L26-F35 HydrophobicContact CD1-CD1 4.4Å; L26-F35 HydrophobicContact CD2-CD1 4.2Å; L26-F35 HydrophobicContact CG-CD1 4.31Å; L26-V37 HydrophobicContact CD1-CG2 3.62Å; L26-V50 HydrophobicContact CD1-CG2 4.39Å; L26-L281 HydrophobicContact CD1-CD2 3.54Å; L26-L281 HydrophobicContact CD2-CD2 3.63Å; L26-L281 HydrophobicContact CG-CD2 4.21Å |
| 27 | R | 91.4 | Very high | 90.9 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130 | 176.9 | -175.8 | 179.5 | 63.1 | -162.7 | -11.2 | 111.1 | Y36 A71 D72 N90 | R27-Y36 PolarHBondContact N-O 3.4Å; R27-Y36 PolarHBondContact O-N 2.91Å; R27-A71 HydrophobicContact CB-CB 3.99Å; R27-D72 WeakPolarHBondContact CD-O 3.36Å; R27-D72 WeakPolarHBondContact CG-O 3.49Å; R27-N90 PolarHBondContact NH1-OD1 3.26Å; R27-N90 VanDerWaalsContact NH2-CG 3.27Å; R27-N90 PolarHBondContact NH2-ND2 3Å; R27-N90 PolarHBondContact NH2-OD1 2.88Å |
| 28 | Y | 90.7 | Very high | 91.1 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.3 | 168.8 | -178.4 | -106.5 | 0 | 0 | 0 | 110.8 | Q30 R33 F35 | Y28-Q30 HydrophobicContact CD1-CG 4.3Å; Y28-Q30 HydrophobicContact CE1-CG 4.2Å; Y28-R33 WeakPolarHBondContact OH-CA 3.43Å; Y28-F35 AromaticContact CD2-CD1 3.78Å; Y28-F35 HydrophobicContact CD2-CD1 3.78Å; Y28-F35 HydrophobicContact CD2-CD2 4.19Å; Y28-F35 AromaticContact CD2-CE1 3.54Å; Y28-F35 HydrophobicContact CD2-CE1 3.54Å; Y28-F35 AromaticContact CD2-CE2 3.96Å; Y28-F35 HydrophobicContact CD2-CE2 3.96Å; Y28-F35 HydrophobicContact CD2-CG 4.1Å; Y28-F35 AromaticContact CD2-CZ 3.63Å; Y28-F35 HydrophobicContact CD2-CZ 3.63Å; Y28-F35 HydrophobicContact CE2-CE1 4.48Å; Y28-F35 HydrophobicContact CE2-CE2 4.2Å; Y28-F35 HydrophobicContact CE2-CZ 4.14Å; Y28-F35 HydrophobicContact CG-CD1 4.37Å; Y28-F35 HydrophobicContact CG-CE1 4.04Å; Y28-F35 HydrophobicContact CG-CZ 4.44Å |
| 29 | H | 86.7 | Confident | 91.3 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 21% | 0.208 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 114.5 | 177.5 | -164.1 | 73.6 | 0 | 0 | 0 | 111.5 | K31 H32 R33 E34 Y36 | H29-K31 PolarHBondContact O-N 3.47Å; H29-H32 AromaticContact CD2-CD2 3.33Å; H29-H32 PolarHBondContact CD2-CD2 3.45Å; H29-H32 AromaticContact CD2-CG 3.98Å; H29-H32 AromaticContact NE2-CD2 3.82Å; H29-H32 PolarHBondContact O-N 3.32Å; H29-R33 WeakPolarHBondContact O-CA 3.44Å; H29-R33 PolarHBondContact O-N 3.13Å; H29-E34 PolarHBondContact N-O 3.27Å; H29-Y36 HydrophobicContact CB-CD2 3.84Å; H29-Y36 HydrophobicContact CB-CE2 3.45Å; H29-Y36 VanDerWaalsContact CB-CE2 3.45Å |
| 30 | Q | 81.8 | Confident | 91.3 | Very high | 116 Ų | 116 | 55.7 Ų | 55.7 | 54% | 0.542 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -37.6 | -171.4 | -66.9 | -180 | -6 | 0 | 0 | 113.9 | Y28 | Y28-Q30 HydrophobicContact CD1-CG 4.3Å; Y28-Q30 HydrophobicContact CE1-CG 4.2Å |
| 31 | K | 81.9 | Confident | 91.2 | Very high | 187 Ų | 187 | 55.6 Ų | 55.6 | 81% | 0.813 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -43.2 | -177.7 | -66.3 | -175 | 178.1 | -177.9 | 0 | 112.6 | H29 | H29-K31 PolarHBondContact O-N 3.47Š|
| 32 | H | 81.8 | Confident | 91 | Very high | 119 Ų | 119 | 49.8 Ų | 49.8 | 55% | 0.551 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -16 | -179.4 | -67 | -58.2 | 0 | 0 | 0 | 112.4 | H29 E34 | H29-H32 AromaticContact CD2-CD2 3.33Å; H29-H32 PolarHBondContact CD2-CD2 3.45Å; H29-H32 AromaticContact CD2-CG 3.98Å; H29-H32 AromaticContact NE2-CD2 3.82Å; H29-H32 PolarHBondContact O-N 3.32Å; H32-E34 HydrophobicContact CB-CB 4.33Å; H32-E34 HydrophobicContact CB-CG 4.33Å; H32-E34 PolarHBondContact O-N 3.31Å |
| 33 | R | 87.8 | Confident | 90.8 | Very high | 204 Ų | 204 | 54.3 Ų | 54.3 | 77% | 0.77 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.5 | -171.5 | -58.9 | -177.3 | 175.6 | -174.7 | -1.7 | 112.6 | Y28 H29 | Y28-R33 WeakPolarHBondContact OH-CA 3.43Å; H29-R33 WeakPolarHBondContact O-CA 3.44Å; H29-R33 PolarHBondContact O-N 3.13Å |
| 34 | E | 90.8 | Very high | 90.6 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 28% | 0.276 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 152.5 | -179.1 | -69 | -172.8 | 137.7 | 0 | 0 | 111 | H29 H32 Y36 N49 S51 | H29-E34 PolarHBondContact N-O 3.27Å; H32-E34 HydrophobicContact CB-CB 4.33Å; H32-E34 HydrophobicContact CB-CG 4.33Å; H32-E34 PolarHBondContact O-N 3.31Å; E34-Y36 PolarHBondContact OE2-OH 2.69Å; E34-N49 VanDerWaalsContact CD-ND2 3.25Å; E34-N49 PolarHBondContact OE1-ND2 3.4Å; E34-N49 PolarHBondContact OE2-ND2 2.69Å; E34-S51 PolarHBondContact OE1-OG 3.42Å |
| 35 | F | 92.9 | Very high | 90.5 | Very high | 18 Ų | 18 | 50.8 Ų | 50.8 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 134.8 | 171.7 | -67.3 | -83.9 | 0 | 0 | 0 | 111 | L26 Y28 V50 L281 H282 | L26-F35 HydrophobicContact CD1-CB 4.31Å; L26-F35 HydrophobicContact CD1-CD1 4.4Å; L26-F35 HydrophobicContact CD2-CD1 4.2Å; L26-F35 HydrophobicContact CG-CD1 4.31Å; Y28-F35 AromaticContact CD2-CD1 3.78Å; Y28-F35 HydrophobicContact CD2-CD1 3.78Å; Y28-F35 HydrophobicContact CD2-CD2 4.19Å; Y28-F35 AromaticContact CD2-CE1 3.54Å; Y28-F35 HydrophobicContact CD2-CE1 3.54Å; Y28-F35 AromaticContact CD2-CE2 3.96Å; Y28-F35 HydrophobicContact CD2-CE2 3.96Å; Y28-F35 HydrophobicContact CD2-CG 4.1Å; Y28-F35 AromaticContact CD2-CZ 3.63Å; Y28-F35 HydrophobicContact CD2-CZ 3.63Å; Y28-F35 HydrophobicContact CE2-CE1 4.48Å; Y28-F35 HydrophobicContact CE2-CE2 4.2Å; Y28-F35 HydrophobicContact CE2-CZ 4.14Å; Y28-F35 HydrophobicContact CG-CD1 4.37Å; Y28-F35 HydrophobicContact CG-CE1 4.04Å; Y28-F35 HydrophobicContact CG-CZ 4.44Å; F35-V50 HydrophobicContact CB-CB 4.18Å; F35-V50 HydrophobicContact CB-CG2 3.89Å; F35-V50 WeakPolarHBondContact O-CG2 3.26Å; F35-V50 PolarHBondContact O-N 2.94Å; F35-L281 HydrophobicContact CB-CD2 4.08Å; F35-L281 HydrophobicContact CD1-CD2 4.08Å; F35-L281 HydrophobicContact CD2-CD1 3.99Å; F35-L281 HydrophobicContact CD2-CD2 4.32Å; F35-L281 HydrophobicContact CE2-CB 4.34Å; F35-L281 HydrophobicContact CG-CD1 4.33Å; F35-L281 HydrophobicContact CG-CD2 3.92Å; F35-L281 HydrophobicContact CZ-CB 4.48Å; F35-H282 HydrophobicContact CE1-CB 4.49Å; F35-H282 HydrophobicContact CZ-CB 4.2Å |
| 36 | Y | 94 | Very high | 90.5 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 8% | 0.078 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 141 | 171.7 | -60.7 | -69.3 | 0 | 0 | 0 | 110.1 | R27 H29 E34 T47 F48 N49 V56 | R27-Y36 PolarHBondContact N-O 3.4Å; R27-Y36 PolarHBondContact O-N 2.91Å; H29-Y36 HydrophobicContact CB-CD2 3.84Å; H29-Y36 HydrophobicContact CB-CE2 3.45Å; H29-Y36 VanDerWaalsContact CB-CE2 3.45Å; E34-Y36 PolarHBondContact OE2-OH 2.69Å; Y36-T47 HydrophobicContact CD1-CG2 4.35Å; Y36-T47 HydrophobicContact CG-CG2 4.29Å; Y36-F48 CarbonylContact C-O 3.59Å; Y36-F48 VanDerWaalsContact CA-O 3.23Å; Y36-F48 WeakPolarHBondContact CA-O 3.49Å; Y36-N49 HydrophobicContact CD1-CB 4.07Å; Y36-N49 HydrophobicContact CE1-CB 3.91Å; Y36-V56 HydrophobicContact CD1-CG2 4.03Å; Y36-V56 HydrophobicContact CE1-CG2 3.86Å |
| 37 | V | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129 | 174.5 | 169 | 0 | 0 | 0 | 0 | 108 | H24 L26 T39 T47 F48 V50 V288 | H24-V37 HydrophobicContact CB-CG1 3.95Å; L26-V37 HydrophobicContact CD1-CG2 3.62Å; V37-T39 HydrophobicContact CG1-CG2 4.04Å; V37-T47 CarbonylContact O-C 3.58Å; V37-T47 WeakPolarHBondContact O-CA 3.44Å; V37-F48 PolarHBondContact N-O 2.65Å; V37-F48 PolarHBondContact O-N 2.89Å; V37-V50 HydrophobicContact CB-CG2 4.28Å; V37-V50 HydrophobicContact CG2-CG2 3.35Å; V37-V288 HydrophobicContact CG1-CG1 4.25Å; V37-V288 HydrophobicContact CG2-CB 4.45Å; V37-V288 HydrophobicContact CG2-CG1 3.79Å; V37-V288 HydrophobicContact CG2-CG2 4.18Å |
| 38 | V | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.4 | 178.7 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | H24 A25 F45 H46 T47 L69 V76 | H24-V38 CarbonylContact C-O 3.53Å; H24-V38 VanDerWaalsContact CA-O 3.27Å; H24-V38 WeakPolarHBondContact CA-O 3.46Å; H24-V38 WeakPolarHBondContact CB-O 3.47Å; A25-V38 HydrophobicContact CB-CB 4.35Å; A25-V38 PolarHBondContact N-O 2.95Å; A25-V38 PolarHBondContact O-N 3.39Å; V38-F45 HydrophobicContact CG1-CB 4.1Å; V38-F45 HydrophobicContact CG1-CD2 3.36Å; V38-F45 HydrophobicContact CG1-CE2 3.96Å; V38-F45 HydrophobicContact CG1-CG 3.9Å; V38-H46 WeakPolarHBondContact CA-O 3.49Å; V38-T47 HydrophobicContact CG2-CG2 4.28Å; V38-L69 HydrophobicContact CG1-CD1 4.26Å; V38-V76 HydrophobicContact CG1-CG1 4Å; V38-V76 HydrophobicContact CG2-CG2 4.19Å |
| 39 | T | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.4 | 179.7 | 51.8 | 0 | 0 | 0 | 0 | 111.3 | Y18 H24 V37 F45 H46 F48 I296 | Y18-T39 WeakPolarHBondContact O-CB 3.39Å; Y18-T39 PolarHBondContact O-OG1 3.37Å; H24-T39 HydrophobicContact CB-CG2 3.83Å; V37-T39 HydrophobicContact CG1-CG2 4.04Å; T39-F45 CarbonylContact O-C 3.51Å; T39-F45 WeakPolarHBondContact O-CA 3.45Å; T39-F45 WeakPolarHBondContact O-CB 3.33Å; T39-H46 PolarHBondContact N-O 3.41Å; T39-H46 PolarHBondContact O-N 3.39Å; T39-F48 WeakPolarHBondContact OG1-CE2 3.36Å; T39-I296 HydrophobicContact CG2-CD1 3.63Å; T39-I296 HydrophobicContact CG2-CG1 4.05Å |
| 40 | S | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 147.8 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | S19 N20 G42 I66 | S19-S40 CarbonylContact C-O 3.6Å; S19-S40 WeakPolarHBondContact CA-O 3.45Å; N20-S40 PolarHBondContact N-O 3.07Å; N20-S40 PolarHBondContact ND2-OG 3.33Å; N20-S40 WeakPolarHBondContact OD1-CB 3.28Å; N20-S40 PolarHBondContact OD1-O 3.38Å; N20-S40 VanDerWaalsContact OD1-O 3.1Å; S40-G42 PolarHBondContact OG-N 3.27Å; S40-G42 PolarHBondContact OG-O 2.73Å; S40-I66 WeakPolarHBondContact OG-CB 3.36Å |
| 41 | V | 90.3 | Very high | 91.4 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 14% | 0.139 | 18% | 0.177 | C | C | . | . | trans | -132.9 | 29.6 | -177.6 | -166.9 | 0 | 0 | 0 | 0 | 110.3 | L17 S44 H46 | L17-V41 HydrophobicContact CB-CG1 3.23Å; L17-V41 HydrophobicContact CD1-CG1 3.69Å; L17-V41 HydrophobicContact CG-CG1 4.04Å; V41-S44 WeakPolarHBondContact CA-O 3.49Å; V41-S44 WeakPolarHBondContact CB-O 3.47Å; V41-S44 PolarHBondContact N-O 3.32Å; V41-H46 HydrophobicContact CG2-CB 4.35Å | ||
| 42 | G | 88.7 | Confident | 91.7 | Very high | 13 Ų | 13 | 39 Ų | 39 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 97.3 | -117 | -170.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | N20 S40 S44 D65 I66 | N20-G42 PolarHBondContact ND2-N 3.41Å; S40-G42 PolarHBondContact OG-N 3.27Å; S40-G42 PolarHBondContact OG-O 2.73Å; G42-S44 VanDerWaalsContact C-N 3.28Å; G42-S44 PolarHBondContact O-N 3.04Å; G42-D65 WeakPolarHBondContact CA-OD1 3.46Å; G42-I66 WeakPolarHBondContact O-CB 3.31Å; G42-I66 WeakPolarHBondContact O-CG1 3.19Å; G42-I66 PolarHBondContact O-N 3.39Å |
| 43 | K | 89.3 | Confident | 92.1 | Very high | 97 Ų | 97 | 33.5 Ų | 33.5 | 42% | 0.422 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -73.5 | -10.9 | -178.4 | -57 | -168.2 | 179.6 | -156 | 0 | 115.7 | S61 L62 P63 D65 | K43-S61 VanDerWaalsContact CB-OG 3.29Å; K43-S61 WeakPolarHBondContact CB-OG 3.44Å; K43-L62 WeakPolarHBondContact O-CB 3.5Å; K43-L62 PolarHBondContact O-N 3.22Å; K43-P63 WeakPolarHBondContact CE-O 3.48Å; K43-P63 PolarHBondContact NZ-O 2.66Å; K43-D65 VanDerWaalsContact CG-OD1 3.27Å; K43-D65 WeakPolarHBondContact CG-OD1 3.41Å; K43-D65 PolarHBondContact N-OD1 3.16Å |
| 44 | S | 91.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.028 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -134 | 161.1 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | V41 G42 S59 | V41-S44 WeakPolarHBondContact CA-O 3.49Å; V41-S44 WeakPolarHBondContact CB-O 3.47Å; V41-S44 PolarHBondContact N-O 3.32Å; G42-S44 VanDerWaalsContact C-N 3.28Å; G42-S44 PolarHBondContact O-N 3.04Å; S44-S59 WeakPolarHBondContact CA-OG 3.44Å; S44-S59 WeakPolarHBondContact CB-OG 3.39Å |
| 45 | F | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 150.8 | 174 | 66.4 | -100 | 0 | 0 | 0 | 111.7 | V38 T39 S59 I66 L69 V76 A78 F87 N90 | V38-F45 HydrophobicContact CG1-CB 4.1Å; V38-F45 HydrophobicContact CG1-CD2 3.36Å; V38-F45 HydrophobicContact CG1-CE2 3.96Å; V38-F45 HydrophobicContact CG1-CG 3.9Å; T39-F45 CarbonylContact O-C 3.51Å; T39-F45 WeakPolarHBondContact O-CA 3.45Å; T39-F45 WeakPolarHBondContact O-CB 3.33Å; F45-S59 WeakPolarHBondContact CD1-OG 3.43Å; F45-S59 PolarHBondContact N-OG 2.97Å; F45-S59 PolarHBondContact O-N 3.13Å; F45-S59 PolarHBondContact O-OG 3.45Å; F45-I66 HydrophobicContact CB-CD1 4.14Å; F45-I66 HydrophobicContact CD1-CD1 4.01Å; F45-L69 HydrophobicContact CB-CD1 4.29Å; F45-L69 HydrophobicContact CB-CD2 4.26Å; F45-L69 HydrophobicContact CD1-CD2 4.19Å; F45-L69 HydrophobicContact CG-CD2 4.34Å; F45-V76 HydrophobicContact CD2-CG1 4.46Å; F45-V76 HydrophobicContact CE1-CG1 4.1Å; F45-V76 HydrophobicContact CE2-CB 4.32Å; F45-V76 HydrophobicContact CE2-CG1 3.92Å; F45-V76 HydrophobicContact CZ-CB 4.01Å; F45-V76 HydrophobicContact CZ-CG1 3.72Å; F45-A78 HydrophobicContact CD1-CB 4.29Å; F45-A78 HydrophobicContact CE1-CB 4.4Å; F45-F87 HydrophobicContact CE1-CB 4.32Å; F45-F87 AromaticContact CE1-CD1 3.92Å; F45-F87 HydrophobicContact CE1-CD1 3.92Å; F45-F87 AromaticContact CE1-CD2 3.6Å; F45-F87 HydrophobicContact CE1-CD2 3.6Å; F45-F87 HydrophobicContact CE1-CE1 4.02Å; F45-F87 AromaticContact CE1-CE2 3.73Å; F45-F87 HydrophobicContact CE1-CE2 3.73Å; F45-F87 AromaticContact CE1-CG 3.69Å; F45-F87 HydrophobicContact CE1-CG 3.69Å; F45-F87 AromaticContact CE1-CZ 3.92Å; F45-F87 HydrophobicContact CE1-CZ 3.92Å; F45-F87 HydrophobicContact CZ-CB 3.89Å; F45-F87 AromaticContact CZ-CD1 4Å; F45-F87 HydrophobicContact CZ-CD1 4Å; F45-F87 HydrophobicContact CZ-CD2 4.06Å; F45-F87 AromaticContact CZ-CG 3.72Å; F45-F87 HydrophobicContact CZ-CG 3.72Å; F45-N90 HydrophobicContact CE2-CB 4.32Å |
| 46 | H | 93.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.8 | 177.5 | -66.4 | 178.9 | 0 | 0 | 0 | 109.8 | L17 V38 T39 V41 F48 I55 A659 | L17-H46 PolarHBondContact O-CE1 3.44Å; L17-H46 VanDerWaalsContact O-CE1 3.26Å; L17-H46 PolarHBondContact O-ND1 3.31Å; V38-H46 WeakPolarHBondContact CA-O 3.49Å; T39-H46 PolarHBondContact N-O 3.41Å; T39-H46 PolarHBondContact O-N 3.39Å; V41-H46 HydrophobicContact CG2-CB 4.35Å; H46-F48 HydrophobicContact CB-CD2 4.26Å; H46-F48 HydrophobicContact CB-CE2 3.44Å; H46-F48 VanDerWaalsContact CB-CE2 3.44Å; H46-F48 HydrophobicContact CB-CZ 3.74Å; H46-I55 HydrophobicContact CB-CD1 4.12Å; H46-A659 VanDerWaalsContact NE2-CB 3.26Å; H46-A659 WeakPolarHBondContact NE2-CB 3.43Å |
| 47 | T | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121.9 | 173.8 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | Y36 V37 V38 V56 C57 | Y36-T47 HydrophobicContact CD1-CG2 4.35Å; Y36-T47 HydrophobicContact CG-CG2 4.29Å; V37-T47 CarbonylContact O-C 3.58Å; V37-T47 WeakPolarHBondContact O-CA 3.44Å; V38-T47 HydrophobicContact CG2-CG2 4.28Å; T47-V56 WeakPolarHBondContact O-CB 3.46Å; T47-V56 PolarHBondContact O-N 3.11Å; T47-C57 PolarHBondContact N-O 3.29Å |
| 48 | F | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.7 | 179.1 | -62.8 | -83.4 | 0 | 0 | 0 | 111.4 | Y18 Y36 V37 T39 H46 G54 I55 I296 | Y18-F48 HydrophobicContact CD1-CE1 4.24Å; Y18-F48 AromaticContact CD1-CZ 3.96Å; Y18-F48 HydrophobicContact CD1-CZ 3.96Å; Y36-F48 CarbonylContact C-O 3.59Å; Y36-F48 VanDerWaalsContact CA-O 3.23Å; Y36-F48 WeakPolarHBondContact CA-O 3.49Å; V37-F48 PolarHBondContact N-O 2.65Å; V37-F48 PolarHBondContact O-N 2.89Å; T39-F48 WeakPolarHBondContact OG1-CE2 3.36Å; H46-F48 HydrophobicContact CB-CD2 4.26Å; H46-F48 HydrophobicContact CB-CE2 3.44Å; H46-F48 VanDerWaalsContact CB-CE2 3.44Å; H46-F48 HydrophobicContact CB-CZ 3.74Å; F48-G54 WeakPolarHBondContact CA-O 3.4Å; F48-I55 HydrophobicContact CD1-CB 4.05Å; F48-I55 HydrophobicContact CD1-CG1 4.43Å; F48-I55 HydrophobicContact CE1-CB 3.75Å; F48-I55 HydrophobicContact CE1-CD1 4.27Å; F48-I55 HydrophobicContact CE1-CG1 4.01Å; F48-I55 HydrophobicContact CZ-CD1 4.31Å; F48-I55 HydrophobicContact CZ-CG1 4.4Å; F48-I296 HydrophobicContact CD2-CD1 3.54Å; F48-I296 HydrophobicContact CE2-CD1 3.48Å; F48-I296 VanDerWaalsContact CE2-CD1 3.48Å; F48-I296 HydrophobicContact CG-CD1 4.3Å; F48-I296 HydrophobicContact CZ-CD1 4.2Å |
| 49 | N | 93.4 | Very high | 91.1 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.2 | 168 | -174.5 | -25.4 | 0 | 0 | 0 | 109.9 | E34 Y36 S51 R52 L53 G54 V56 | E34-N49 VanDerWaalsContact CD-ND2 3.25Å; E34-N49 PolarHBondContact OE1-ND2 3.4Å; E34-N49 PolarHBondContact OE2-ND2 2.69Å; Y36-N49 HydrophobicContact CD1-CB 4.07Å; Y36-N49 HydrophobicContact CE1-CB 3.91Å; N49-S51 VanDerWaalsContact C-N 3.28Å; N49-S51 PolarHBondContact O-N 3.22Å; N49-S51 WeakPolarHBondContact OD1-CB 3.23Å; N49-S51 PolarHBondContact OD1-N 3.4Å; N49-S51 PolarHBondContact OD1-OG 3.07Å; N49-R52 PolarHBondContact O-N 3.26Å; N49-L53 WeakPolarHBondContact O-CA 3.42Å; N49-L53 PolarHBondContact O-N 3.2Å; N49-G54 PolarHBondContact N-O 3.09Å; N49-V56 HydrophobicContact CB-CG2 3.93Å |
| 50 | V | 92.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.7 | -177.6 | -177.3 | 0 | 0 | 0 | 0 | 112.7 | L26 F35 V37 R52 L281 V288 V298 R312 | L26-V50 HydrophobicContact CD1-CG2 4.39Å; F35-V50 HydrophobicContact CB-CB 4.18Å; F35-V50 HydrophobicContact CB-CG2 3.89Å; F35-V50 WeakPolarHBondContact O-CG2 3.26Å; F35-V50 PolarHBondContact O-N 2.94Å; V37-V50 HydrophobicContact CB-CG2 4.28Å; V37-V50 HydrophobicContact CG2-CG2 3.35Å; V50-R52 VanDerWaalsContact C-N 3.31Å; V50-R52 PolarHBondContact O-N 2.96Å; V50-L281 HydrophobicContact CG1-CD1 3.81Å; V50-V288 HydrophobicContact CG1-CG2 4.09Å; V50-V288 HydrophobicContact CG2-CG2 4.42Å; V50-V298 HydrophobicContact CG1-CG1 4.41Å; V50-V298 HydrophobicContact CG1-CG2 4.24Å; V50-R312 PolarHBondContact O-NH1 3.38Å; V50-R312 VanDerWaalsContact O-NH1 3.09Å |
| 51 | S | 89.7 | Confident | 90.3 | Very high | 45 Ų | 45 | 34.8 Ų | 34.8 | 32% | 0.315 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -29.3 | -178 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | E34 N49 R312 | E34-S51 PolarHBondContact OE1-OG 3.42Å; N49-S51 VanDerWaalsContact C-N 3.28Å; N49-S51 PolarHBondContact O-N 3.22Å; N49-S51 WeakPolarHBondContact OD1-CB 3.23Å; N49-S51 PolarHBondContact OD1-N 3.4Å; N49-S51 PolarHBondContact OD1-OG 3.07Å; S51-R312 PolarHBondContact O-NE 3.4Å; S51-R312 VanDerWaalsContact O-NE 3.13Å; S51-R312 PolarHBondContact O-NH1 3.24Å; S51-R312 PolarHBondContact O-NH2 3.43Å; S51-R312 VanDerWaalsContact O-NH2 3.12Å |
| 52 | R | 88.6 | Confident | 90.1 | Very high | 196 Ų | 196 | 34.1 Ų | 34.1 | 74% | 0.74 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | -13 | -178.8 | -64.9 | -179 | -176.1 | -175.6 | 1 | 114 | N49 V50 G54 | N49-R52 PolarHBondContact O-N 3.26Å; V50-R52 VanDerWaalsContact C-N 3.31Å; V50-R52 PolarHBondContact O-N 2.96Å; R52-G54 PolarHBondContact O-N 2.95Å |
| 53 | L | 90.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.2 | 42.1 | -160.8 | -68.5 | -177.5 | 0 | 0 | 0 | 112.1 | N49 I296 V298 R312 R314 | N49-L53 WeakPolarHBondContact O-CA 3.42Å; N49-L53 PolarHBondContact O-N 3.2Å; L53-I296 HydrophobicContact CD2-CG2 4.29Å; L53-V298 HydrophobicContact CD1-CG2 3.88Å; L53-V298 HydrophobicContact CD2-CG2 3.84Å; L53-V298 HydrophobicContact CG-CG2 4.06Å; L53-R312 HydrophobicContact CD1-CB 3.47Å; L53-R312 VanDerWaalsContact CD1-CB 3.47Å; L53-R312 HydrophobicContact CG-CB 4.08Å; L53-R314 HydrophobicContact CB-CG 3.85Å; L53-R314 HydrophobicContact CD1-CG 4.26Å; L53-R314 PolarHBondContact O-NE 2.96Å; L53-R314 PolarHBondContact O-NH2 2.92Å |
| 54 | G | 88.8 | Confident | 89.9 | Confident | 27 Ų | 27 | 37.7 Ų | 37.7 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 137.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | F48 N49 R52 V56 | F48-G54 WeakPolarHBondContact CA-O 3.4Å; N49-G54 PolarHBondContact N-O 3.09Å; R52-G54 PolarHBondContact O-N 2.95Å; G54-V56 PolarHBondContact O-N 3.4Å |
| 55 | I | 89.5 | Confident | 89.8 | Confident | 49 Ų | 49 | 42 Ų | 42 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 129.8 | 171.9 | -162.4 | 164.8 | 0 | 0 | 0 | 109.2 | H46 F48 V58 | H46-I55 HydrophobicContact CB-CD1 4.12Å; F48-I55 HydrophobicContact CD1-CB 4.05Å; F48-I55 HydrophobicContact CD1-CG1 4.43Å; F48-I55 HydrophobicContact CE1-CB 3.75Å; F48-I55 HydrophobicContact CE1-CD1 4.27Å; F48-I55 HydrophobicContact CE1-CG1 4.01Å; F48-I55 HydrophobicContact CZ-CD1 4.31Å; F48-I55 HydrophobicContact CZ-CG1 4.4Å; I55-V58 HydrophobicContact CD1-CG2 3.51Å; I55-V58 HydrophobicContact CG1-CG2 4.32Å |
| 56 | V | 89.9 | Confident | 89.9 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 49% | 0.485 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -44.6 | 179.8 | -180 | 0 | 0 | 0 | 0 | 109.6 | Y36 T47 N49 G54 | Y36-V56 HydrophobicContact CD1-CG2 4.03Å; Y36-V56 HydrophobicContact CE1-CG2 3.86Å; T47-V56 WeakPolarHBondContact O-CB 3.46Å; T47-V56 PolarHBondContact O-N 3.11Å; N49-V56 HydrophobicContact CB-CG2 3.93Å; G54-V56 PolarHBondContact O-N 3.4Å |
| 57 | C | 88.4 | Confident | 89.9 | Confident | 27 Ų | 27 | 43.5 Ų | 43.5 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 153.3 | -176.6 | -165.1 | 0 | 0 | 0 | 0 | 110.9 | T47 N90 | T47-C57 PolarHBondContact N-O 3.29Å; C57-N90 HydrophobicContact CB-CB 3.81Å |
| 58 | V | 89.4 | Confident | 89.9 | Confident | 36 Ų | 36 | 44 Ų | 44 | 22% | 0.218 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.4 | 172.7 | 176.5 | 0 | 0 | 0 | 0 | 107.1 | I55 A659 A660 | I55-V58 HydrophobicContact CD1-CG2 3.51Å; I55-V58 HydrophobicContact CG1-CG2 4.32Å; V58-A659 HydrophobicContact CG1-CB 3.44Å; V58-A659 VanDerWaalsContact CG1-CB 3.44Å; V58-A659 WeakPolarHBondContact CG1-O 3.49Å; V58-A660 HydrophobicContact CG1-CB 4.49Å |
| 59 | S | 90 | Very high | 90 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -72 | 160 | 179.4 | 79.5 | 0 | 0 | 0 | 0 | 111.9 | S44 F45 N90 A660 | S44-S59 WeakPolarHBondContact CA-OG 3.44Å; S44-S59 WeakPolarHBondContact CB-OG 3.39Å; F45-S59 WeakPolarHBondContact CD1-OG 3.43Å; F45-S59 PolarHBondContact N-OG 2.97Å; F45-S59 PolarHBondContact O-N 3.13Å; F45-S59 PolarHBondContact O-OG 3.45Å; S59-N90 WeakPolarHBondContact CA-O 3.3Å; S59-A660 VanDerWaalsContact O-CB 3.28Å; S59-A660 WeakPolarHBondContact O-CB 3.07Å |
| 60 | N | 86.3 | Confident | 90 | Very high | 62 Ų | 62 | 44.5 Ų | 44.5 | 33% | 0.332 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 152.5 | 165 | -66.7 | -6 | 0 | 0 | 0 | 110.4 | K91 | N60-K91 PolarHBondContact ND2-O 2.98Å; N60-K91 WeakPolarHBondContact OD1-CG 3.48Å |
| 61 | S | 84.9 | Confident | 90 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 137.3 | 176.2 | -168.1 | 0 | 0 | 0 | 0 | 110.9 | K43 | K43-S61 VanDerWaalsContact CB-OG 3.29Å; K43-S61 WeakPolarHBondContact CB-OG 3.44Å |
| 62 | L | 87.3 | Confident | 90 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 163.2 | 168.4 | -68.2 | 177.7 | 0 | 0 | 0 | 110.4 | K43 I66 A78 C85 F87 | K43-L62 WeakPolarHBondContact O-CB 3.5Å; K43-L62 PolarHBondContact O-N 3.22Å; L62-I66 HydrophobicContact CD1-CD1 4.18Å; L62-I66 HydrophobicContact CD1-CG1 3.79Å; L62-A78 HydrophobicContact CD1-CB 4.19Å; L62-C85 HydrophobicContact CD2-CB 4.25Å; L62-F87 HydrophobicContact CD1-CE2 4.24Å; L62-F87 HydrophobicContact CD1-CZ 4.07Å; L62-F87 HydrophobicContact CD2-CE2 4.43Å; L62-F87 HydrophobicContact CD2-CZ 3.81Å; L62-F87 HydrophobicContact CG-CZ 4.04Å |
| 63 | P | 84.6 | Confident | 89.7 | Confident | 92 Ų | 92 | 44.1 Ų | 44.1 | 60% | 0.597 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -63.4 | -46.8 | 178.6 | 22.8 | -32.8 | 0 | 0 | 0 | 112.3 | K43 | K43-P63 WeakPolarHBondContact CE-O 3.48Å; K43-P63 PolarHBondContact NZ-O 2.66Å |
| 64 | D | 88.2 | Confident | 89.4 | Confident | 92 Ų | 92 | 50.6 Ų | 50.6 | 49% | 0.492 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -111.4 | 165.7 | 179.7 | -57.5 | -44.3 | 0 | 0 | 0 | 111.6 | S80 | D64-S80 VanDerWaalsContact C-OG 3.3Å; D64-S80 WeakPolarHBondContact CA-OG 3.48Å; D64-S80 WeakPolarHBondContact CB-OG 3.47Å; D64-S80 PolarHBondContact N-OG 3.11Å; D64-S80 PolarHBondContact O-OG 3.34Å |
| 65 | D | 90.5 | Very high | 89.6 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | trans | -62 | 142.4 | 177.4 | -75.1 | -27.1 | 0 | 0 | 0 | 112 | G42 K43 T67 | G42-D65 WeakPolarHBondContact CA-OD1 3.46Å; K43-D65 VanDerWaalsContact CG-OD1 3.27Å; K43-D65 WeakPolarHBondContact CG-OD1 3.41Å; K43-D65 PolarHBondContact N-OD1 3.16Å; D65-T67 PolarHBondContact O-N 2.9Å | ||
| 66 | I | 94.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 123.8 | 178.4 | -65.1 | 165.3 | 0 | 0 | 0 | 109.2 | V22 S40 G42 F45 L62 L69 A78 A79 | V22-I66 WeakPolarHBondContact CG2-O 3.42Å; S40-I66 WeakPolarHBondContact OG-CB 3.36Å; G42-I66 WeakPolarHBondContact O-CB 3.31Å; G42-I66 WeakPolarHBondContact O-CG1 3.19Å; G42-I66 PolarHBondContact O-N 3.39Å; F45-I66 HydrophobicContact CB-CD1 4.14Å; F45-I66 HydrophobicContact CD1-CD1 4.01Å; L62-I66 HydrophobicContact CD1-CD1 4.18Å; L62-I66 HydrophobicContact CD1-CG1 3.79Å; I66-L69 HydrophobicContact CG2-CD2 3.82Å; I66-L69 HydrophobicContact CG2-CG 3.88Å; I66-A78 HydrophobicContact CD1-CB 4.26Å; I66-A78 HydrophobicContact CG1-CB 4.31Å; I66-A78 HydrophobicContact CG2-CB 4.12Å; I66-A79 VanDerWaalsContact CA-O 3.26Å; I66-A79 WeakPolarHBondContact CA-O 3.47Å |
| 67 | T | 93.7 | Very high | 90 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -40.2 | -175.6 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | V22 D65 A79 E103 V104 | V22-T67 WeakPolarHBondContact CG1-O 3.44Å; D65-T67 PolarHBondContact O-N 2.9Å; T67-A79 PolarHBondContact N-O 3.2Å; T67-E103 HydrophobicContact CG2-CG 3.83Å; T67-E103 WeakPolarHBondContact CG2-OE1 3.37Å; T67-V104 PolarHBondContact OG1-O 3.3Å |
| 68 | C | 93.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 112 | A79 R105 L107 | C68-A79 PolarHBondContact O-N 3.26Å; C68-A79 VanDerWaalsContact O-N 3.08Å; C68-A79 WeakPolarHBondContact SG-CB 3.3Å; C68-R105 WeakPolarHBondContact CB-O 3.44Å; C68-L107 VanDerWaalsContact SG-CG 3.59Å |
| 69 | L | 95.4 | Very high | 90.6 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.2 | -179.4 | -74.2 | 173 | 0 | 0 | 0 | 109.9 | V22 A25 V38 F45 I66 F77 A78 | V22-L69 HydrophobicContact CG1-CG 4.4Å; A25-L69 HydrophobicContact CB-CB 4.36Å; V38-L69 HydrophobicContact CG1-CD1 4.26Å; F45-L69 HydrophobicContact CB-CD1 4.29Å; F45-L69 HydrophobicContact CB-CD2 4.26Å; F45-L69 HydrophobicContact CD1-CD2 4.19Å; F45-L69 HydrophobicContact CG-CD2 4.34Å; I66-L69 HydrophobicContact CG2-CD2 3.82Å; I66-L69 HydrophobicContact CG2-CG 3.88Å; L69-F77 WeakPolarHBondContact CA-O 3.43Å; L69-A78 HydrophobicContact CD2-CB 3.63Å |
| 70 | A | 94.3 | Very high | 90.7 | Very high | 8 Ų | 8 | 42 Ų | 42 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F77 L107 P109 | A70-F77 PolarHBondContact N-O 2.94Å; A70-F77 PolarHBondContact O-N 2.98Å; A70-L107 HydrophobicContact CB-CB 3.76Å; A70-P109 HydrophobicContact CB-CG 4.23Å |
| 71 | A | 93.1 | Very high | 90.9 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | A25 R27 V76 | A25-A71 HydrophobicContact CB-CB 3.89Å; R27-A71 HydrophobicContact CB-CB 3.99Å; A71-V76 HydrophobicContact CB-CG2 4.45Å |
| 72 | D | 88.8 | Confident | 91.3 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | trans | -103.8 | 179.4 | 165.9 | -179.6 | 38.1 | 0 | 0 | 0 | 109.5 | R27 M74 L75 F77 P109 | R27-D72 WeakPolarHBondContact CD-O 3.36Å; R27-D72 WeakPolarHBondContact CG-O 3.49Å; D72-M74 PolarHBondContact O-N 3.47Å; D72-L75 PolarHBondContact N-O 3.44Å; D72-F77 HydrophobicContact CB-CE2 4.08Å; D72-P109 HydrophobicContact CB-CB 4.11Å; D72-P109 HydrophobicContact CB-CG 4.49Å | ||
| 73 | R | 82.5 | Confident | 91.5 | Very high | 166 Ų | 166 | 41.4 Ų | 41.4 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -52.7 | -38.4 | 177.4 | -64 | -179.4 | 179.5 | -178.4 | 1.4 | 112.6 | ||
| 74 | M | 84.6 | Confident | 92 | Very high | 137 Ų | 137 | 37 Ų | 37 | 68% | 0.675 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -112 | -35.7 | -173.3 | -65.1 | -60.8 | -69.1 | 0 | 0 | 114 | D72 | D72-M74 PolarHBondContact O-N 3.47Š|
| 75 | L | 91.9 | Very high | 92.3 | Very high | 33 Ų | 33 | 32.9 Ų | 32.9 | 17% | 0.173 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 151.5 | -171.3 | -61.4 | 175 | 0 | 0 | 0 | 111.9 | D72 F77 A86 F87 A88 V128 | D72-L75 PolarHBondContact N-O 3.44Å; L75-F77 HydrophobicContact CB-CE1 4.45Å; L75-F77 HydrophobicContact CB-CE2 4.12Å; L75-F77 HydrophobicContact CB-CZ 3.95Å; L75-F77 HydrophobicContact CD1-CE1 4.32Å; L75-F77 HydrophobicContact CD1-CZ 4.02Å; L75-A86 HydrophobicContact CD1-CB 4.44Å; L75-F87 WeakPolarHBondContact CA-O 3.22Å; L75-A88 HydrophobicContact CD2-CB 3.94Å; L75-V128 HydrophobicContact CD1-CG1 3.72Å |
| 76 | V | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.7 | 165.9 | 178.1 | 0 | 0 | 0 | 0 | 107.6 | V38 F45 A71 F87 | V38-V76 HydrophobicContact CG1-CG1 4Å; V38-V76 HydrophobicContact CG2-CG2 4.19Å; F45-V76 HydrophobicContact CD2-CG1 4.46Å; F45-V76 HydrophobicContact CE1-CG1 4.1Å; F45-V76 HydrophobicContact CE2-CB 4.32Å; F45-V76 HydrophobicContact CE2-CG1 3.92Å; F45-V76 HydrophobicContact CZ-CB 4.01Å; F45-V76 HydrophobicContact CZ-CG1 3.72Å; A71-V76 HydrophobicContact CB-CG2 4.45Å; V76-F87 HydrophobicContact CB-CB 4.35Å; V76-F87 PolarHBondContact N-O 3.3Å; V76-F87 WeakPolarHBondContact O-CB 3.26Å; V76-F87 PolarHBondContact O-N 2.91Å |
| 77 | F | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.2 | 175.9 | -56.9 | -81.5 | 0 | 0 | 0 | 109 | L69 A70 D72 L75 C85 A86 Y97 L107 P109 L114 V128 | L69-F77 WeakPolarHBondContact CA-O 3.43Å; A70-F77 PolarHBondContact N-O 2.94Å; A70-F77 PolarHBondContact O-N 2.98Å; D72-F77 HydrophobicContact CB-CE2 4.08Å; L75-F77 HydrophobicContact CB-CE1 4.45Å; L75-F77 HydrophobicContact CB-CE2 4.12Å; L75-F77 HydrophobicContact CB-CZ 3.95Å; L75-F77 HydrophobicContact CD1-CE1 4.32Å; L75-F77 HydrophobicContact CD1-CZ 4.02Å; F77-C85 WeakPolarHBondContact CA-O 3.27Å; F77-A86 HydrophobicContact CD1-CB 3.71Å; F77-A86 HydrophobicContact CE1-CB 3.62Å; F77-Y97 HydrophobicContact CD1-CE2 4.44Å; F77-Y97 HydrophobicContact CE1-CE2 4.35Å; F77-L107 HydrophobicContact CB-CD1 4.16Å; F77-P109 HydrophobicContact CD2-CB 4.38Å; F77-P109 HydrophobicContact CE2-CB 4.07Å; F77-L114 HydrophobicContact CB-CD1 4.46Å; F77-L114 HydrophobicContact CD1-CD1 4.27Å; F77-L114 HydrophobicContact CD1-CD2 3.57Å; F77-L114 HydrophobicContact CD2-CD1 4.01Å; F77-L114 HydrophobicContact CE1-CD2 3.86Å; F77-L114 HydrophobicContact CE2-CD1 4.3Å; F77-L114 HydrophobicContact CG-CD1 3.99Å; F77-L114 HydrophobicContact CG-CD2 4.06Å; F77-V128 HydrophobicContact CE1-CG1 4.37Å; F77-V128 HydrophobicContact CZ-CG1 3.99Å; F77-V128 HydrophobicContact CZ-CG2 4.16Å |
| 78 | A | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.1 | 174 | 0 | 0 | 0 | 0 | 0 | 108.9 | F45 L62 I66 L69 C85 F87 | F45-A78 HydrophobicContact CD1-CB 4.29Å; F45-A78 HydrophobicContact CE1-CB 4.4Å; L62-A78 HydrophobicContact CD1-CB 4.19Å; I66-A78 HydrophobicContact CD1-CB 4.26Å; I66-A78 HydrophobicContact CG1-CB 4.31Å; I66-A78 HydrophobicContact CG2-CB 4.12Å; L69-A78 HydrophobicContact CD2-CB 3.63Å; A78-C85 PolarHBondContact N-O 2.86Å; A78-C85 PolarHBondContact O-N 3.3Å; A78-F87 HydrophobicContact CB-CD2 4.46Å; A78-F87 HydrophobicContact CB-CE2 3.96Å |
| 79 | A | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 138.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I66 T67 C68 T83 V84 V104 L107 | I66-A79 VanDerWaalsContact CA-O 3.26Å; I66-A79 WeakPolarHBondContact CA-O 3.47Å; T67-A79 PolarHBondContact N-O 3.2Å; C68-A79 PolarHBondContact O-N 3.26Å; C68-A79 VanDerWaalsContact O-N 3.08Å; C68-A79 WeakPolarHBondContact SG-CB 3.3Å; A79-T83 WeakPolarHBondContact CA-O 3.13Å; A79-V84 HydrophobicContact CB-CG2 4.19Å; A79-V104 HydrophobicContact CB-CB 3.77Å; A79-V104 HydrophobicContact CB-CG1 3.95Å; A79-L107 HydrophobicContact CB-CD1 4.16Å |
| 80 | S | 92.5 | Very high | 91.1 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 105.6 | 178.3 | 178.1 | 0 | 0 | 0 | 0 | 106.5 | D64 T82 T83 | D64-S80 VanDerWaalsContact C-OG 3.3Å; D64-S80 WeakPolarHBondContact CA-OG 3.48Å; D64-S80 WeakPolarHBondContact CB-OG 3.47Å; D64-S80 PolarHBondContact N-OG 3.11Å; D64-S80 PolarHBondContact O-OG 3.34Å; S80-T82 PolarHBondContact O-N 3.37Å; S80-T82 VanDerWaalsContact O-N 3.13Å; S80-T83 PolarHBondContact N-O 3.42Å; S80-T83 PolarHBondContact O-N 2.86Å |
| 81 | G | 89.9 | Confident | 90.7 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -115.3 | -171 | 0 | 0 | 0 | 0 | 0 | 112.4 | E103 V104 | G81-E103 WeakPolarHBondContact O-CA 3.31Å; G81-V104 PolarHBondContact O-N 3.35Å |
| 82 | T | 92.7 | Very high | 90.2 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -9.7 | -178.9 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | S80 | S80-T82 PolarHBondContact O-N 3.37Å; S80-T82 VanDerWaalsContact O-N 3.13Å |
| 83 | T | 92.6 | Very high | 90.2 | Very high | 30 Ų | 30 | 44.6 Ų | 44.6 | 18% | 0.184 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.3 | -171.5 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | A79 S80 R96 | A79-T83 WeakPolarHBondContact CA-O 3.13Å; S80-T83 PolarHBondContact N-O 3.42Å; S80-T83 PolarHBondContact O-N 2.86Å; T83-R96 HydrophobicContact CG2-CB 4.33Å |
| 84 | V | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131 | 172.8 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | A79 R96 Y97 V104 L107 L114 | A79-V84 HydrophobicContact CB-CG2 4.19Å; V84-R96 CarbonylContact O-C 3.59Å; V84-R96 WeakPolarHBondContact O-CA 3.37Å; V84-Y97 HydrophobicContact CB-CD2 4.08Å; V84-Y97 HydrophobicContact CG1-CD2 4.18Å; V84-Y97 PolarHBondContact N-O 3.07Å; V84-Y97 WeakPolarHBondContact O-CD2 3.48Å; V84-Y97 PolarHBondContact O-N 2.98Å; V84-V104 HydrophobicContact CG2-CG1 4.25Å; V84-V104 HydrophobicContact CG2-CG2 4.1Å; V84-L107 HydrophobicContact CG1-CD1 4.24Å; V84-L107 HydrophobicContact CG1-CD2 3.93Å; V84-L107 HydrophobicContact CG2-CD2 4.03Å; V84-L114 HydrophobicContact CG1-CD2 3.98Å |
| 85 | C | 94 | Very high | 90.6 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.6 | 179.5 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | L62 F77 A78 F87 V93 M95 | L62-C85 HydrophobicContact CD2-CB 4.25Å; F77-C85 WeakPolarHBondContact CA-O 3.27Å; A78-C85 PolarHBondContact N-O 2.86Å; A78-C85 PolarHBondContact O-N 3.3Å; C85-F87 HydrophobicContact CB-CD2 4.29Å; C85-F87 HydrophobicContact CB-CE2 3.62Å; C85-F87 HydrophobicContact CB-CZ 4.3Å; C85-V93 HydrophobicContact CB-CG1 4.25Å; C85-M95 WeakPolarHBondContact CA-O 3.26Å |
| 86 | A | 93.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L75 F77 V93 V94 M95 Y97 | L75-A86 HydrophobicContact CD1-CB 4.44Å; F77-A86 HydrophobicContact CD1-CB 3.71Å; F77-A86 HydrophobicContact CE1-CB 3.62Å; A86-V93 WeakPolarHBondContact O-CA 3.23Å; A86-V94 PolarHBondContact O-N 3.09Å; A86-M95 HydrophobicContact CB-CB 4.2Å; A86-M95 PolarHBondContact N-O 3.25Å; A86-Y97 HydrophobicContact CB-CE2 4.1Å |
| 87 | F | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.5 | -178.1 | -68.9 | -102.5 | 0 | 0 | 0 | 111.4 | F45 L62 L75 V76 A78 C85 E92 V93 | F45-F87 HydrophobicContact CE1-CB 4.32Å; F45-F87 AromaticContact CE1-CD1 3.92Å; F45-F87 HydrophobicContact CE1-CD1 3.92Å; F45-F87 AromaticContact CE1-CD2 3.6Å; F45-F87 HydrophobicContact CE1-CD2 3.6Å; F45-F87 HydrophobicContact CE1-CE1 4.02Å; F45-F87 AromaticContact CE1-CE2 3.73Å; F45-F87 HydrophobicContact CE1-CE2 3.73Å; F45-F87 AromaticContact CE1-CG 3.69Å; F45-F87 HydrophobicContact CE1-CG 3.69Å; F45-F87 AromaticContact CE1-CZ 3.92Å; F45-F87 HydrophobicContact CE1-CZ 3.92Å; F45-F87 HydrophobicContact CZ-CB 3.89Å; F45-F87 AromaticContact CZ-CD1 4Å; F45-F87 HydrophobicContact CZ-CD1 4Å; F45-F87 HydrophobicContact CZ-CD2 4.06Å; F45-F87 AromaticContact CZ-CG 3.72Å; F45-F87 HydrophobicContact CZ-CG 3.72Å; L62-F87 HydrophobicContact CD1-CE2 4.24Å; L62-F87 HydrophobicContact CD1-CZ 4.07Å; L62-F87 HydrophobicContact CD2-CE2 4.43Å; L62-F87 HydrophobicContact CD2-CZ 3.81Å; L62-F87 HydrophobicContact CG-CZ 4.04Å; L75-F87 WeakPolarHBondContact CA-O 3.22Å; V76-F87 HydrophobicContact CB-CB 4.35Å; V76-F87 PolarHBondContact N-O 3.3Å; V76-F87 WeakPolarHBondContact O-CB 3.26Å; V76-F87 PolarHBondContact O-N 2.91Å; A78-F87 HydrophobicContact CB-CD2 4.46Å; A78-F87 HydrophobicContact CB-CE2 3.96Å; C85-F87 HydrophobicContact CB-CD2 4.29Å; C85-F87 HydrophobicContact CB-CE2 3.62Å; C85-F87 HydrophobicContact CB-CZ 4.3Å; F87-E92 CarbonylContact C-O 3.41Å; F87-E92 VanDerWaalsContact CA-O 3.24Å; F87-E92 WeakPolarHBondContact CA-O 3.19Å; F87-V93 HydrophobicContact CD1-CG2 3.9Å; F87-V93 HydrophobicContact CE1-CG2 3.39Å; F87-V93 HydrophobicContact CE2-CG2 4.31Å; F87-V93 HydrophobicContact CZ-CG2 3.64Å |
| 88 | A | 89.1 | Confident | 90.3 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 149.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L75 N90 K91 E92 V94 | L75-A88 HydrophobicContact CD2-CB 3.94Å; A88-N90 PolarHBondContact O-N 2.92Å; A88-K91 PolarHBondContact O-N 3.01Å; A88-K91 VanDerWaalsContact O-N 3.08Å; A88-E92 PolarHBondContact N-O 3.42Å; A88-E92 PolarHBondContact O-N 3.33Å; A88-V94 HydrophobicContact CB-CG2 3.31Å |
| 89 | R | 84.4 | Confident | 89.8 | Confident | 199 Ų | 199 | 50.6 Ų | 50.6 | 75% | 0.751 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 18.8 | -179.6 | -56.2 | 175.4 | 177.7 | 174.4 | -1.1 | 114 | K91 | R89-K91 PolarHBondContact O-N 3.49Š|
| 90 | N | 82.8 | Confident | 89.6 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 15.8 | -175.5 | -45.2 | -48.2 | 0 | 0 | 0 | 115.6 | R27 F45 C57 S59 A88 | R27-N90 PolarHBondContact NH1-OD1 3.26Å; R27-N90 VanDerWaalsContact NH2-CG 3.27Å; R27-N90 PolarHBondContact NH2-ND2 3Å; R27-N90 PolarHBondContact NH2-OD1 2.88Å; F45-N90 HydrophobicContact CE2-CB 4.32Å; C57-N90 HydrophobicContact CB-CB 3.81Å; S59-N90 WeakPolarHBondContact CA-O 3.3Å; A88-N90 PolarHBondContact O-N 2.92Å |
| 91 | K | 84.2 | Confident | 89.5 | Confident | 97 Ų | 97 | 59.1 Ų | 59.1 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | -50.5 | -176.1 | -167.2 | 178.6 | -178.8 | -173.4 | 0 | 113.7 | N60 A88 R89 | N60-K91 PolarHBondContact ND2-O 2.98Å; N60-K91 WeakPolarHBondContact OD1-CG 3.48Å; A88-K91 PolarHBondContact O-N 3.01Å; A88-K91 VanDerWaalsContact O-N 3.08Å; R89-K91 PolarHBondContact O-N 3.49Å |
| 92 | E | 84.4 | Confident | 89.6 | Confident | 104 Ų | 104 | 62.7 Ų | 62.7 | 49% | 0.486 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128 | -171.5 | -70.6 | 166.3 | -166.5 | 0 | 0 | 110.5 | F87 A88 V94 | F87-E92 CarbonylContact C-O 3.41Å; F87-E92 VanDerWaalsContact CA-O 3.24Å; F87-E92 WeakPolarHBondContact CA-O 3.19Å; A88-E92 PolarHBondContact N-O 3.42Å; A88-E92 PolarHBondContact O-N 3.33Å; E92-V94 PolarHBondContact O-N 2.86Å |
| 93 | V | 86.9 | Confident | 89.5 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 114.2 | 171.2 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | C85 A86 F87 R96 | C85-V93 HydrophobicContact CB-CG1 4.25Å; A86-V93 WeakPolarHBondContact O-CA 3.23Å; F87-V93 HydrophobicContact CD1-CG2 3.9Å; F87-V93 HydrophobicContact CE1-CG2 3.39Å; F87-V93 HydrophobicContact CE2-CG2 4.31Å; F87-V93 HydrophobicContact CZ-CG2 3.64Å; V93-R96 HydrophobicContact CG1-CG 3.84Å |
| 94 | V | 88.8 | Confident | 89.6 | Confident | 83 Ų | 83 | 63.3 Ų | 63.3 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -43.6 | 178.8 | -176 | 0 | 0 | 0 | 0 | 110.8 | A86 A88 E92 | A86-V94 PolarHBondContact O-N 3.09Å; A88-V94 HydrophobicContact CB-CG2 3.31Å; E92-V94 PolarHBondContact O-N 2.86Å |
| 95 | M | 88.7 | Confident | 89.5 | Confident | 62 Ų | 62 | 67.2 Ų | 67.2 | 31% | 0.305 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.4 | -176.9 | -64.7 | -57.7 | -72.2 | 0 | 0 | 111.5 | C85 A86 Y97 | C85-M95 WeakPolarHBondContact CA-O 3.26Å; A86-M95 HydrophobicContact CB-CB 4.2Å; A86-M95 PolarHBondContact N-O 3.25Å; M95-Y97 HydrophobicContact CB-CE2 4.26Å |
| 96 | R | 92.3 | Very high | 89.5 | Confident | 152 Ų | 152 | 68.9 Ų | 68.9 | 57% | 0.574 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.7 | 171.4 | -63.7 | -169.5 | 177.6 | 116.7 | -2.8 | 109.8 | T83 V84 V93 H98 | T83-R96 HydrophobicContact CG2-CB 4.33Å; V84-R96 CarbonylContact O-C 3.59Å; V84-R96 WeakPolarHBondContact O-CA 3.37Å; V93-R96 HydrophobicContact CG1-CG 3.84Å; R96-H98 PolarHBondContact O-ND1 3.12Å |
| 97 | Y | 91.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121 | 179.2 | -52.2 | -91.9 | 0 | 0 | 0 | 109.5 | F77 V84 A86 M95 L114 W126 V128 | F77-Y97 HydrophobicContact CD1-CE2 4.44Å; F77-Y97 HydrophobicContact CE1-CE2 4.35Å; V84-Y97 HydrophobicContact CB-CD2 4.08Å; V84-Y97 HydrophobicContact CG1-CD2 4.18Å; V84-Y97 PolarHBondContact N-O 3.07Å; V84-Y97 WeakPolarHBondContact O-CD2 3.48Å; V84-Y97 PolarHBondContact O-N 2.98Å; A86-Y97 HydrophobicContact CB-CE2 4.1Å; M95-Y97 HydrophobicContact CB-CE2 4.26Å; Y97-L114 HydrophobicContact CD2-CD2 4.36Å; Y97-L114 HydrophobicContact CE2-CD2 4.1Å; Y97-W126 HydrophobicContact CD1-CB 3.79Å; Y97-W126 AromaticContact CD1-CD2 3.69Å; Y97-W126 HydrophobicContact CD1-CD2 3.69Å; Y97-W126 AromaticContact CD1-CE3 3.62Å; Y97-W126 HydrophobicContact CD1-CE3 3.62Å; Y97-W126 AromaticContact CD1-CG 3.78Å; Y97-W126 HydrophobicContact CD1-CG 3.78Å; Y97-W126 HydrophobicContact CD1-CZ3 4.4Å; Y97-W126 HydrophobicContact CE1-CB 3.8Å; Y97-W126 HydrophobicContact CE1-CG 4.27Å; Y97-W126 HydrophobicContact CG-CD2 4.1Å; Y97-W126 HydrophobicContact CG-CE3 4.24Å; Y97-W126 HydrophobicContact CG-CG 4.28Å; Y97-V128 WeakPolarHBondContact OH-CA 3.16Å; Y97-V128 PolarHBondContact OH-O 3.47Å |
| 98 | H | 90.3 | Very high | 89.6 | Confident | 128 Ų | 128 | 71.2 Ų | 71.2 | 59% | 0.593 | 34% | 0.335 | S | S | * | . | trans | -116.3 | 124.7 | 179.4 | -57.1 | 83.8 | 0 | 0 | 0 | 108.9 | R96 W126 | R96-H98 PolarHBondContact O-ND1 3.12Å; H98-W126 WeakPolarHBondContact O-CH2 3.4Å | ||
| 99 | G | 84.6 | Confident | 89.9 | Confident | 36 Ų | 36 | 71.7 Ų | 71.7 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | trans | 174.9 | -23.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 100 | H | 91.4 | Very high | 90.2 | Very high | 13 Ų | 13 | 63.3 Ų | 63.3 | 6% | 0.06 | 31% | 0.307 | C | S | . | . | trans | -71.1 | 141.1 | 173.4 | -72.7 | -66.4 | 0 | 0 | 0 | 111.6 | V104 S116 D118 | H100-V104 HydrophobicContact CB-CG2 4Å; H100-V104 VanDerWaalsContact CD2-CG2 3.41Å; H100-V104 WeakPolarHBondContact CD2-CG2 3.26Å; H100-S116 WeakPolarHBondContact NE2-CB 3.44Å; H100-S116 PolarHBondContact NE2-OG 3.39Å; H100-D118 HydrophobicContact CB-CB 4.37Å; H100-D118 WeakPolarHBondContact ND1-CB 3.38Å; H100-D118 IonicContact ND1-OD2 3.63Å | ||
| 101 | K | 89.8 | Confident | 90.3 | Very high | 171 Ų | 171 | 65.3 Ų | 65.3 | 74% | 0.743 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -91.6 | -25.8 | 177 | -66.4 | 174.3 | -175.8 | 164.9 | 0 | 112.1 | ||
| 102 | Q | 91.3 | Very high | 90.6 | Very high | 92 Ų | 92 | 65.7 Ų | 65.7 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -122.7 | -179.4 | 178.5 | -51.7 | -171.1 | 4.1 | 0 | 0 | 111.4 | V104 S119 G120 | Q102-V104 PolarHBondContact O-N 2.89Å; Q102-S119 WeakPolarHBondContact CB-OG 3.13Å; Q102-S119 VanDerWaalsContact OE1-C 3.24Å; Q102-S119 PolarHBondContact OE1-OG 3.28Å; Q102-G120 VanDerWaalsContact OE1-CA 3.31Å |
| 103 | E | 91.8 | Very high | 91 | Very high | 104 Ų | 104 | 62.5 Ų | 62.5 | 49% | 0.486 | 32% | 0.322 | S | S | . | . | trans | -65.5 | 130 | -176.5 | -170.1 | -175.3 | 168.2 | 0 | 0 | 111.5 | T67 G81 R105 D118 S119 | T67-E103 HydrophobicContact CG2-CG 3.83Å; T67-E103 WeakPolarHBondContact CG2-OE1 3.37Å; G81-E103 WeakPolarHBondContact O-CA 3.31Å; E103-R105 PolarHBondContact O-N 3.5Å; E103-D118 CarbonylContact O-C 3.59Å; E103-D118 WeakPolarHBondContact O-CA 3.48Å; E103-S119 PolarHBondContact O-N 3.42Å | ||
| 104 | V | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 123.6 | 178.2 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | T67 A79 G81 V84 H100 Q102 L107 | T67-V104 PolarHBondContact OG1-O 3.3Å; A79-V104 HydrophobicContact CB-CB 3.77Å; A79-V104 HydrophobicContact CB-CG1 3.95Å; G81-V104 PolarHBondContact O-N 3.35Å; V84-V104 HydrophobicContact CG2-CG1 4.25Å; V84-V104 HydrophobicContact CG2-CG2 4.1Å; H100-V104 HydrophobicContact CB-CG2 4Å; H100-V104 VanDerWaalsContact CD2-CG2 3.41Å; H100-V104 WeakPolarHBondContact CD2-CG2 3.26Å; Q102-V104 PolarHBondContact O-N 2.89Å; V104-L107 HydrophobicContact CG1-CD2 4.13Å; V104-L107 HydrophobicContact CG1-CG 4.49Å |
| 105 | R | 92 | Very high | 91.6 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -33.9 | -177.3 | -62 | -175.8 | -170.5 | 150.6 | 3.8 | 113.4 | C68 E103 A117 S119 D145 | C68-R105 WeakPolarHBondContact CB-O 3.44Å; E103-R105 PolarHBondContact O-N 3.5Å; R105-A117 PolarHBondContact N-O 3.06Å; R105-S119 VanDerWaalsContact CZ-CB 3.4Å; R105-S119 VanDerWaalsContact NH2-CA 3.26Å; R105-S119 PolarHBondContact NH2-O 3.27Å; R105-S119 VanDerWaalsContact NH2-O 3.13Å; R105-D145 IonicContact NH1-OD1 3.47Å; R105-D145 PolarHBondContact NH1-OD1 3.49Å; R105-D145 IonicContact NH1-OD2 3.85Å; R105-D145 PolarHBondContact NH1-OD2 3.29Å |
| 106 | L | 94.1 | Very high | 91.9 | Very high | 39 Ų | 39 | 53.5 Ų | 53.5 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 143.9 | -172.1 | -55.5 | 168.8 | 0 | 0 | 0 | 111.5 | S116 A117 V146 M149 | L106-S116 WeakPolarHBondContact O-CA 3.28Å; L106-A117 HydrophobicContact CB-CB 4.25Å; L106-A117 HydrophobicContact CD1-CB 4.49Å; L106-A117 PolarHBondContact N-O 3.08Å; L106-A117 PolarHBondContact O-N 2.94Å; L106-V146 HydrophobicContact CD1-CG1 4.11Å; L106-M149 HydrophobicContact CB-CG 4.09Å; L106-M149 HydrophobicContact CB-SD 3.39Å; L106-M149 WeakPolarHBondContact CB-SD 3.31Å; L106-M149 HydrophobicContact CD1-CB 4.49Å; L106-M149 HydrophobicContact CD1-CG 4.26Å; L106-M149 HydrophobicContact CD1-SD 4.37Å; L106-M149 HydrophobicContact CG-SD 4.48Å |
| 107 | L | 95.7 | Very high | 92 | Very high | 19 Ų | 19 | 46.4 Ų | 46.4 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 137.1 | 175.6 | -69.2 | 173.3 | 0 | 0 | 0 | 110 | C68 A70 F77 A79 V84 V104 L114 V115 | C68-L107 VanDerWaalsContact SG-CG 3.59Å; A70-L107 HydrophobicContact CB-CB 3.76Å; F77-L107 HydrophobicContact CB-CD1 4.16Å; A79-L107 HydrophobicContact CB-CD1 4.16Å; V84-L107 HydrophobicContact CG1-CD1 4.24Å; V84-L107 HydrophobicContact CG1-CD2 3.93Å; V84-L107 HydrophobicContact CG2-CD2 4.03Å; V104-L107 HydrophobicContact CG1-CD2 4.13Å; V104-L107 HydrophobicContact CG1-CG 4.49Å; L107-L114 HydrophobicContact CD2-CD1 4.45Å; L107-V115 WeakPolarHBondContact CA-O 3.17Å |
| 108 | L | 94.3 | Very high | 92.1 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 108.8 | 175.3 | -179.5 | 68.3 | 0 | 0 | 0 | 110.2 | V115 M149 H151 V159 | L108-V115 HydrophobicContact CB-CB 4.38Å; L108-V115 PolarHBondContact N-O 3.2Å; L108-V115 PolarHBondContact O-N 2.96Å; L108-M149 HydrophobicContact CB-CE 3.36Å; L108-M149 HydrophobicContact CB-CG 4.11Å; L108-M149 HydrophobicContact CB-SD 3.73Å; L108-M149 HydrophobicContact CD2-CE 4.03Å; L108-M149 HydrophobicContact CG-CE 4.36Å; L108-H151 HydrophobicContact CD2-CB 4.35Å; L108-V159 HydrophobicContact CD2-CG1 4.31Å; L108-V159 HydrophobicContact CD2-CG2 3.99Å |
| 109 | P | 93.6 | Very high | 92.1 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 21% | 0.208 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132 | 171.1 | 28.8 | -31.3 | 0 | 0 | 0 | 109.9 | A70 D72 F77 L114 | A70-P109 HydrophobicContact CB-CG 4.23Å; D72-P109 HydrophobicContact CB-CB 4.11Å; D72-P109 HydrophobicContact CB-CG 4.49Å; F77-P109 HydrophobicContact CD2-CB 4.38Å; F77-P109 HydrophobicContact CE2-CB 4.07Å; P109-L114 HydrophobicContact CB-CD1 4.43Å |
| 110 | L | 90.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 87.4 | -178.6 | -177.8 | 66.9 | 0 | 0 | 0 | 110.3 | D112 H113 H151 V159 I173 | L110-D112 PolarHBondContact O-N 3.4Å; L110-H113 CarbonylContact C-O 3.59Å; L110-H113 PolarHBondContact N-O 2.92Å; L110-H113 PolarHBondContact O-N 3.07Å; L110-H151 HydrophobicContact CD1-CB 4.07Å; L110-V159 HydrophobicContact CD2-CG2 4.2Å; L110-I173 HydrophobicContact CD2-CD1 3.71Å |
| 111 | G | 86.4 | Confident | 92 | Very high | 56 Ų | 56 | 40.1 Ų | 40.1 | 58% | 0.577 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -120.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | H113 | G111-H113 VanDerWaalsContact C-N 3.27Å; G111-H113 PolarHBondContact O-N 3.37Å |
| 112 | D | 89 | Confident | 92.1 | Very high | 105 Ų | 105 | 32.9 Ų | 32.9 | 56% | 0.561 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -2.6 | 178.6 | -57.1 | -37.8 | 0 | 0 | 0 | 113.3 | L110 V128 | L110-D112 PolarHBondContact O-N 3.4Å; D112-V128 WeakPolarHBondContact O-CB 3.21Å; D112-V128 WeakPolarHBondContact O-CG2 3.44Å; D112-V128 PolarHBondContact O-N 2.85Å |
| 113 | H | 92.5 | Very high | 92.2 | Very high | 37 Ų | 37 | 28.7 Ų | 28.7 | 17% | 0.171 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.6 | 180 | -61.8 | -38.9 | 0 | 0 | 0 | 112.1 | L110 G111 V125 W126 Y134 | L110-H113 CarbonylContact C-O 3.59Å; L110-H113 PolarHBondContact N-O 2.92Å; L110-H113 PolarHBondContact O-N 3.07Å; G111-H113 VanDerWaalsContact C-N 3.27Å; G111-H113 PolarHBondContact O-N 3.37Å; H113-V125 HydrophobicContact CB-CG1 3.82Å; H113-W126 CarbonylContact C-O 3.49Å; H113-W126 VanDerWaalsContact CA-O 3.25Å; H113-W126 WeakPolarHBondContact CA-O 3.18Å; H113-Y134 AromaticContact CE1-CD2 3.97Å |
| 114 | L | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.3 | 169.2 | 175.6 | 68.4 | 0 | 0 | 0 | 108.9 | F77 V84 Y97 L107 P109 V125 W126 V128 | F77-L114 HydrophobicContact CB-CD1 4.46Å; F77-L114 HydrophobicContact CD1-CD1 4.27Å; F77-L114 HydrophobicContact CD1-CD2 3.57Å; F77-L114 HydrophobicContact CD2-CD1 4.01Å; F77-L114 HydrophobicContact CE1-CD2 3.86Å; F77-L114 HydrophobicContact CE2-CD1 4.3Å; F77-L114 HydrophobicContact CG-CD1 3.99Å; F77-L114 HydrophobicContact CG-CD2 4.06Å; V84-L114 HydrophobicContact CG1-CD2 3.98Å; Y97-L114 HydrophobicContact CD2-CD2 4.36Å; Y97-L114 HydrophobicContact CE2-CD2 4.1Å; L107-L114 HydrophobicContact CD2-CD1 4.45Å; P109-L114 HydrophobicContact CB-CD1 4.43Å; L114-V125 CarbonylContact O-C 3.48Å; L114-V125 WeakPolarHBondContact O-CA 3.25Å; L114-W126 HydrophobicContact CB-CB 4.3Å; L114-W126 PolarHBondContact N-O 3.29Å; L114-W126 PolarHBondContact O-N 2.72Å; L114-V128 HydrophobicContact CB-CG2 3.95Å |
| 115 | V | 95 | Very high | 92.3 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.3 | 174.4 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | L107 L108 V123 V125 M149 I173 | L107-V115 WeakPolarHBondContact CA-O 3.17Å; L108-V115 HydrophobicContact CB-CB 4.38Å; L108-V115 PolarHBondContact N-O 3.2Å; L108-V115 PolarHBondContact O-N 2.96Å; V115-V123 HydrophobicContact CG1-CG1 3.66Å; V115-V125 HydrophobicContact CG1-CG2 4.28Å; V115-V125 HydrophobicContact CG2-CG1 4.32Å; V115-V125 HydrophobicContact CG2-CG2 4.13Å; V115-M149 HydrophobicContact CB-CE 3.66Å; V115-M149 HydrophobicContact CG1-CE 3.43Å; V115-M149 VanDerWaalsContact CG1-CE 3.43Å; V115-I173 HydrophobicContact CG2-CD1 3.88Å |
| 116 | S | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.5 | -179.5 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | H100 L106 V123 I124 W126 | H100-S116 WeakPolarHBondContact NE2-CB 3.44Å; H100-S116 PolarHBondContact NE2-OG 3.39Å; L106-S116 WeakPolarHBondContact O-CA 3.28Å; S116-V123 CarbonylContact O-C 3.6Å; S116-V123 VanDerWaalsContact O-CA 3.3Å; S116-V123 WeakPolarHBondContact O-CA 3.49Å; S116-I124 PolarHBondContact N-O 3.03Å; S116-I124 PolarHBondContact O-N 3.21Å; S116-I124 PolarHBondContact OG-O 3.16Å; S116-W126 PolarHBondContact OG-NE1 3.3Å |
| 117 | A | 94.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.017 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R105 L106 D122 V123 V146 | R105-A117 PolarHBondContact N-O 3.06Å; L106-A117 HydrophobicContact CB-CB 4.25Å; L106-A117 HydrophobicContact CD1-CB 4.49Å; L106-A117 PolarHBondContact N-O 3.08Å; L106-A117 PolarHBondContact O-N 2.94Å; A117-D122 WeakPolarHBondContact CA-O 3.5Å; A117-V123 HydrophobicContact CB-CG2 3.94Å; A117-V146 HydrophobicContact CB-CG1 4.4Å |
| 118 | D | 93.4 | Very high | 92 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 178.7 | 177.3 | 80.4 | -1.4 | 0 | 0 | 0 | 113.5 | H100 E103 G120 G121 D122 | H100-D118 HydrophobicContact CB-CB 4.37Å; H100-D118 WeakPolarHBondContact ND1-CB 3.38Å; H100-D118 IonicContact ND1-OD2 3.63Å; E103-D118 CarbonylContact O-C 3.59Å; E103-D118 WeakPolarHBondContact O-CA 3.48Å; D118-G120 VanDerWaalsContact C-N 3.29Å; D118-G120 WeakPolarHBondContact OD1-CA 3.18Å; D118-G120 PolarHBondContact OD1-N 3.11Å; D118-G121 PolarHBondContact OD1-N 3.47Å; D118-D122 PolarHBondContact N-O 3.13Å; D118-D122 PolarHBondContact OD1-N 3.34Å |
| 119 | S | 89.1 | Confident | 91.6 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 16% | 0.161 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17 | 174.6 | 56.9 | 0 | 0 | 0 | 0 | 115.3 | Q102 E103 R105 | Q102-S119 WeakPolarHBondContact CB-OG 3.13Å; Q102-S119 VanDerWaalsContact OE1-C 3.24Å; Q102-S119 PolarHBondContact OE1-OG 3.28Å; E103-S119 PolarHBondContact O-N 3.42Å; R105-S119 VanDerWaalsContact CZ-CB 3.4Å; R105-S119 VanDerWaalsContact NH2-CA 3.26Å; R105-S119 PolarHBondContact NH2-O 3.27Å; R105-S119 VanDerWaalsContact NH2-O 3.13Å |
| 120 | G | 86.4 | Confident | 91 | Very high | 19 Ų | 19 | 26.9 Ų | 26.9 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -7.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q102 D118 P141 | Q102-G120 VanDerWaalsContact OE1-CA 3.31Å; D118-G120 VanDerWaalsContact C-N 3.29Å; D118-G120 WeakPolarHBondContact OD1-CA 3.18Å; D118-G120 PolarHBondContact OD1-N 3.11Å; G120-P141 WeakPolarHBondContact O-CD 3.46Å; G120-P141 WeakPolarHBondContact O-CG 3.45Å |
| 121 | G | 87.4 | Confident | 90.7 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 95.1 | 5.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D118 F139 | D118-G121 PolarHBondContact OD1-N 3.47Å; G121-F139 WeakPolarHBondContact O-CB 3.49Å; G121-F139 WeakPolarHBondContact O-CD2 3.33Å; G121-F139 PolarHBondContact O-N 3.08Å |
| 122 | D | 91.8 | Very high | 90.8 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 123 | 174.7 | -72 | -12.1 | 0 | 0 | 0 | 109.8 | A117 D118 N138 | A117-D122 WeakPolarHBondContact CA-O 3.5Å; D118-D122 PolarHBondContact N-O 3.13Å; D118-D122 PolarHBondContact OD1-N 3.34Å; D122-N138 VanDerWaalsContact OD1-CG 3.26Å; D122-N138 PolarHBondContact OD1-OD1 3.33Å; D122-N138 VanDerWaalsContact OD1-OD1 3.14Å |
| 123 | V | 93.7 | Very high | 91 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 111.2 | 172.4 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | V115 S116 A117 L137 F139 V146 | V115-V123 HydrophobicContact CG1-CG1 3.66Å; S116-V123 CarbonylContact O-C 3.6Å; S116-V123 VanDerWaalsContact O-CA 3.3Å; S116-V123 WeakPolarHBondContact O-CA 3.49Å; A117-V123 HydrophobicContact CB-CG2 3.94Å; V123-L137 HydrophobicContact CB-CB 4.28Å; V123-L137 PolarHBondContact N-O 3.18Å; V123-L137 PolarHBondContact O-N 2.99Å; V123-F139 HydrophobicContact CB-CD2 4.48Å; V123-F139 HydrophobicContact CB-CE2 4.09Å; V123-F139 HydrophobicContact CG2-CD2 3.82Å; V123-F139 HydrophobicContact CG2-CE2 3.68Å; V123-V146 HydrophobicContact CG2-CG2 4.06Å |
| 124 | I | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.8 | -178.2 | -53.4 | 177.7 | 0 | 0 | 0 | 109.5 | S116 W126 I133 Q136 | S116-I124 PolarHBondContact N-O 3.03Å; S116-I124 PolarHBondContact O-N 3.21Å; S116-I124 PolarHBondContact OG-O 3.16Å; I124-W126 HydrophobicContact CB-CZ2 4.02Å; I124-W126 HydrophobicContact CD1-CH2 4.46Å; I124-W126 HydrophobicContact CD1-CZ2 3.94Å; I124-W126 HydrophobicContact CG2-CD2 3.9Å; I124-W126 VanDerWaalsContact CG2-CE2 3.42Å; I124-W126 HydrophobicContact CG2-CE3 4.4Å; I124-W126 HydrophobicContact CG2-CG 4.43Å; I124-W126 HydrophobicContact CG2-CH2 4.09Å; I124-W126 HydrophobicContact CG2-CZ2 3.53Å; I124-I133 HydrophobicContact CG2-CB 4.5Å; I124-I133 HydrophobicContact CG2-CG1 4.11Å; I124-I133 HydrophobicContact CG2-CG2 3.86Å; I124-Q136 HydrophobicContact CG1-CG 4.13Å |
| 125 | V | 94.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.8 | 171.1 | -172.4 | 0 | 0 | 0 | 0 | 108.3 | H113 L114 V115 Y134 L135 I173 | H113-V125 HydrophobicContact CB-CG1 3.82Å; L114-V125 CarbonylContact O-C 3.48Å; L114-V125 WeakPolarHBondContact O-CA 3.25Å; V115-V125 HydrophobicContact CG1-CG2 4.28Å; V115-V125 HydrophobicContact CG2-CG1 4.32Å; V115-V125 HydrophobicContact CG2-CG2 4.13Å; V125-Y134 HydrophobicContact CB-CD1 4.47Å; V125-Y134 HydrophobicContact CG1-CD1 4.12Å; V125-Y134 WeakPolarHBondContact O-CA 3.42Å; V125-Y134 WeakPolarHBondContact O-CB 3.32Å; V125-Y134 PolarHBondContact O-N 3.34Å; V125-L135 HydrophobicContact CB-CB 4.04Å; V125-L135 HydrophobicContact CG2-CB 4.09Å; V125-L135 HydrophobicContact CG2-CD2 4.35Å; V125-L135 PolarHBondContact N-O 3.22Å; V125-L135 PolarHBondContact O-N 3.42Å; V125-I173 HydrophobicContact CB-CG2 4.44Å; V125-I173 HydrophobicContact CG1-CG2 3.93Å; V125-I173 HydrophobicContact CG2-CG2 3.99Å |
| 126 | W | 94.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 147.7 | -179.5 | -52.3 | 91.7 | 0 | 0 | 0 | 110.7 | Y97 H98 H113 L114 S116 I124 D132 I133 | Y97-W126 HydrophobicContact CD1-CB 3.79Å; Y97-W126 AromaticContact CD1-CD2 3.69Å; Y97-W126 HydrophobicContact CD1-CD2 3.69Å; Y97-W126 AromaticContact CD1-CE3 3.62Å; Y97-W126 HydrophobicContact CD1-CE3 3.62Å; Y97-W126 AromaticContact CD1-CG 3.78Å; Y97-W126 HydrophobicContact CD1-CG 3.78Å; Y97-W126 HydrophobicContact CD1-CZ3 4.4Å; Y97-W126 HydrophobicContact CE1-CB 3.8Å; Y97-W126 HydrophobicContact CE1-CG 4.27Å; Y97-W126 HydrophobicContact CG-CD2 4.1Å; Y97-W126 HydrophobicContact CG-CE3 4.24Å; Y97-W126 HydrophobicContact CG-CG 4.28Å; H98-W126 WeakPolarHBondContact O-CH2 3.4Å; H113-W126 CarbonylContact C-O 3.49Å; H113-W126 VanDerWaalsContact CA-O 3.25Å; H113-W126 WeakPolarHBondContact CA-O 3.18Å; L114-W126 HydrophobicContact CB-CB 4.3Å; L114-W126 PolarHBondContact N-O 3.29Å; L114-W126 PolarHBondContact O-N 2.72Å; S116-W126 PolarHBondContact OG-NE1 3.3Å; I124-W126 HydrophobicContact CB-CZ2 4.02Å; I124-W126 HydrophobicContact CD1-CH2 4.46Å; I124-W126 HydrophobicContact CD1-CZ2 3.94Å; I124-W126 HydrophobicContact CG2-CD2 3.9Å; I124-W126 VanDerWaalsContact CG2-CE2 3.42Å; I124-W126 HydrophobicContact CG2-CE3 4.4Å; I124-W126 HydrophobicContact CG2-CG 4.43Å; I124-W126 HydrophobicContact CG2-CH2 4.09Å; I124-W126 HydrophobicContact CG2-CZ2 3.53Å; W126-D132 WeakPolarHBondContact CA-O 3.42Å; W126-I133 HydrophobicContact CE3-CG1 3.75Å; W126-I133 HydrophobicContact CH2-CD1 4.08Å; W126-I133 HydrophobicContact CH2-CG1 3.74Å; W126-I133 HydrophobicContact CZ3-CD1 4.02Å; W126-I133 HydrophobicContact CZ3-CG1 3.26Å |
| 127 | D | 92.3 | Very high | 90.2 | Very high | 47 Ų | 47 | 38 Ų | 38 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 124 | 159.9 | 178.9 | 31.4 | 0 | 0 | 0 | 110 | Q129 G130 G131 D132 | D127-Q129 VanDerWaalsContact C-N 3.29Å; D127-Q129 PolarHBondContact O-N 3.43Å; D127-G130 PolarHBondContact OD2-N 3.48Å; D127-G131 WeakPolarHBondContact O-CA 3.44Å; D127-G131 PolarHBondContact O-N 2.86Å; D127-D132 PolarHBondContact N-O 3.42Å |
| 128 | V | 89.5 | Confident | 90.1 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -29.5 | -174.3 | 174.6 | 0 | 0 | 0 | 0 | 112 | L75 F77 Y97 D112 L114 | L75-V128 HydrophobicContact CD1-CG1 3.72Å; F77-V128 HydrophobicContact CE1-CG1 4.37Å; F77-V128 HydrophobicContact CZ-CG1 3.99Å; F77-V128 HydrophobicContact CZ-CG2 4.16Å; Y97-V128 WeakPolarHBondContact OH-CA 3.16Å; Y97-V128 PolarHBondContact OH-O 3.47Å; D112-V128 WeakPolarHBondContact O-CB 3.21Å; D112-V128 WeakPolarHBondContact O-CG2 3.44Å; D112-V128 PolarHBondContact O-N 2.85Å; L114-V128 HydrophobicContact CB-CG2 3.95Å |
| 129 | Q | 86.2 | Confident | 89.9 | Confident | 154 Ų | 154 | 44.2 Ų | 44.2 | 72% | 0.72 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -48.7 | -178.6 | -62.5 | -175.3 | 18.4 | 0 | 0 | 111.9 | D127 | D127-Q129 VanDerWaalsContact C-N 3.29Å; D127-Q129 PolarHBondContact O-N 3.43Å |
| 130 | G | 81.1 | Confident | 89.8 | Confident | 38 Ų | 38 | 48 Ų | 48 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -28.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D127 D132 | D127-G130 PolarHBondContact OD2-N 3.48Å; G130-D132 PolarHBondContact O-N 3.47Å |
| 131 | G | 84.2 | Confident | 89.7 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | trans | 80.4 | -2.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | D127 | D127-G131 WeakPolarHBondContact O-CA 3.44Å; D127-G131 PolarHBondContact O-N 2.86Å | ||
| 132 | D | 89 | Confident | 89.5 | Confident | 116 Ų | 116 | 52.2 Ų | 52.2 | 62% | 0.62 | 29% | 0.293 | S | S | * | . | trans | -77.6 | 152.7 | -176 | -65.9 | -39.4 | 0 | 0 | 0 | 112.1 | W126 D127 G130 Y134 | W126-D132 WeakPolarHBondContact CA-O 3.42Å; D127-D132 PolarHBondContact N-O 3.42Å; G130-D132 PolarHBondContact O-N 3.47Å; D132-Y134 PolarHBondContact O-N 3.05Å | ||
| 133 | I | 91.3 | Very high | 89.3 | Confident | 82 Ų | 82 | 56 Ų | 56 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 114.1 | 172.3 | -62.1 | 171.9 | 0 | 0 | 0 | 108.3 | I124 W126 Q136 | I124-I133 HydrophobicContact CG2-CB 4.5Å; I124-I133 HydrophobicContact CG2-CG1 4.11Å; I124-I133 HydrophobicContact CG2-CG2 3.86Å; W126-I133 HydrophobicContact CE3-CG1 3.75Å; W126-I133 HydrophobicContact CH2-CD1 4.08Å; W126-I133 HydrophobicContact CH2-CG1 3.74Å; W126-I133 HydrophobicContact CZ3-CD1 4.02Å; W126-I133 HydrophobicContact CZ3-CG1 3.26Å; I133-Q136 HydrophobicContact CG2-CB 4.41Å |
| 134 | Y | 89.8 | Confident | 89.1 | Confident | 106 Ų | 106 | 56.2 Ų | 56.2 | 42% | 0.416 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -44.9 | 174.2 | -179.4 | -98.6 | 0 | 0 | 0 | 111.6 | H113 V125 D132 I173 | H113-Y134 AromaticContact CE1-CD2 3.97Å; V125-Y134 HydrophobicContact CB-CD1 4.47Å; V125-Y134 HydrophobicContact CG1-CD1 4.12Å; V125-Y134 WeakPolarHBondContact O-CA 3.42Å; V125-Y134 WeakPolarHBondContact O-CB 3.32Å; V125-Y134 PolarHBondContact O-N 3.34Å; D132-Y134 PolarHBondContact O-N 3.05Å; Y134-I173 HydrophobicContact CD1-CG2 4.29Å; Y134-I173 HydrophobicContact CE1-CG2 4.13Å |
| 135 | L | 90.6 | Very high | 88.9 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 142.3 | -178.7 | 175.7 | 66.8 | 0 | 0 | 0 | 110.1 | V125 L137 I173 | V125-L135 HydrophobicContact CB-CB 4.04Å; V125-L135 HydrophobicContact CG2-CB 4.09Å; V125-L135 HydrophobicContact CG2-CD2 4.35Å; V125-L135 PolarHBondContact N-O 3.22Å; V125-L135 PolarHBondContact O-N 3.42Å; L135-L137 HydrophobicContact CD1-CD2 4.2Å; L135-L137 HydrophobicContact CD2-CD1 4.28Å; L135-L137 HydrophobicContact CD2-CD2 4.09Å; L135-L137 HydrophobicContact CD2-CG 4.07Å; L135-L137 HydrophobicContact CG-CD2 4.22Å; L135-L137 HydrophobicContact CG-CG 4.18Å; L135-I173 HydrophobicContact CD2-CG2 4.32Å |
| 136 | Q | 91.8 | Very high | 88.9 | Confident | 84 Ų | 84 | 57 Ų | 57 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.8 | 170.1 | 178.9 | 169.7 | 5.1 | 0 | 0 | 109.3 | I124 I133 N138 | I124-Q136 HydrophobicContact CG1-CG 4.13Å; I133-Q136 HydrophobicContact CG2-CB 4.41Å; Q136-N138 WeakPolarHBondContact CG-OD1 3.33Å; Q136-N138 PolarHBondContact NE2-OD1 3.49Å |
| 137 | L | 90.1 | Very high | 88.8 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 13% | 0.126 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.9 | 175.5 | -59.8 | 174.3 | 0 | 0 | 0 | 108.3 | V123 L135 F139 W171 | V123-L137 HydrophobicContact CB-CB 4.28Å; V123-L137 PolarHBondContact N-O 3.18Å; V123-L137 PolarHBondContact O-N 2.99Å; L135-L137 HydrophobicContact CD1-CD2 4.2Å; L135-L137 HydrophobicContact CD2-CD1 4.28Å; L135-L137 HydrophobicContact CD2-CD2 4.09Å; L135-L137 HydrophobicContact CD2-CG 4.07Å; L135-L137 HydrophobicContact CG-CD2 4.22Å; L135-L137 HydrophobicContact CG-CG 4.18Å; L137-F139 HydrophobicContact CB-CD2 4.48Å; L137-F139 HydrophobicContact CB-CE2 3.75Å; L137-F139 HydrophobicContact CB-CZ 4.27Å; L137-F139 HydrophobicContact CD1-CE2 4.37Å; L137-F139 HydrophobicContact CD1-CZ 4.37Å; L137-W171 HydrophobicContact CD1-CD2 4.21Å; L137-W171 HydrophobicContact CD1-CE3 3.96Å; L137-W171 HydrophobicContact CD1-CZ3 4.34Å; L137-W171 HydrophobicContact CD2-CE3 4.26Å; L137-W171 HydrophobicContact CD2-CZ3 3.91Å |
| 138 | N | 91.3 | Very high | 88.8 | Confident | 113 Ų | 113 | 55.9 Ų | 55.9 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.4 | 179.8 | -62.5 | 3.9 | 0 | 0 | 0 | 108.9 | D122 Q136 | D122-N138 VanDerWaalsContact OD1-CG 3.26Å; D122-N138 PolarHBondContact OD1-OD1 3.33Å; D122-N138 VanDerWaalsContact OD1-OD1 3.14Å; Q136-N138 WeakPolarHBondContact CG-OD1 3.33Å; Q136-N138 PolarHBondContact NE2-OD1 3.49Å |
| 139 | F | 88.8 | Confident | 89 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | trans | -105.4 | 141.8 | 173.9 | -61.9 | -87.5 | 0 | 0 | 0 | 109.5 | G121 V123 L137 P141 F144 V146 L161 W171 | G121-F139 WeakPolarHBondContact O-CB 3.49Å; G121-F139 WeakPolarHBondContact O-CD2 3.33Å; G121-F139 PolarHBondContact O-N 3.08Å; V123-F139 HydrophobicContact CB-CD2 4.48Å; V123-F139 HydrophobicContact CB-CE2 4.09Å; V123-F139 HydrophobicContact CG2-CD2 3.82Å; V123-F139 HydrophobicContact CG2-CE2 3.68Å; L137-F139 HydrophobicContact CB-CD2 4.48Å; L137-F139 HydrophobicContact CB-CE2 3.75Å; L137-F139 HydrophobicContact CB-CZ 4.27Å; L137-F139 HydrophobicContact CD1-CE2 4.37Å; L137-F139 HydrophobicContact CD1-CZ 4.37Å; F139-P141 WeakPolarHBondContact O-CD 3.32Å; F139-F144 WeakPolarHBondContact CB-O 3.38Å; F139-F144 HydrophobicContact CD1-CB 4.45Å; F139-F144 AromaticContact CD1-CD1 3.74Å; F139-F144 HydrophobicContact CD1-CD1 3.74Å; F139-F144 HydrophobicContact CD1-CE1 4.46Å; F139-F144 HydrophobicContact CD1-CG 4.41Å; F139-F144 HydrophobicContact CE1-CD1 4.12Å; F139-F144 HydrophobicContact CE1-CE1 4.43Å; F139-F144 HydrophobicContact CG-CD1 4.29Å; F139-V146 HydrophobicContact CD2-CG2 4.1Å; F139-V146 HydrophobicContact CE2-CG2 4.47Å; F139-V146 HydrophobicContact CG-CG2 4.4Å; F139-L161 HydrophobicContact CE2-CD1 3.95Å; F139-L161 HydrophobicContact CZ-CD1 3.71Å; F139-W171 AromaticContact CE1-CE2 3.92Å; F139-W171 AromaticContact CE1-CZ2 3.66Å; F139-W171 HydrophobicContact CE1-CZ2 3.66Å; F139-W171 AromaticContact CE1-NE1 3.87Å; F139-W171 AromaticContact CZ-CE2 3.76Å; F139-W171 AromaticContact CZ-CZ2 3.8Å; F139-W171 HydrophobicContact CZ-CZ2 3.8Å; F139-W171 AromaticContact CZ-NE1 3.75Å | ||
| 140 | D | 87.6 | Confident | 89.4 | Confident | 102 Ų | 102 | 49 Ų | 49 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | trans | -82.4 | 116.1 | 170.4 | 178.9 | 6.3 | 0 | 0 | 0 | 109 | G142 T143 F144 | D140-G142 PolarHBondContact O-N 3.38Å; D140-G142 PolarHBondContact OD1-N 2.95Å; D140-T143 PolarHBondContact O-N 3.29Å; D140-T143 PolarHBondContact O-OG1 3.47Å; D140-F144 PolarHBondContact O-N 2.83Å | ||
| 141 | P | 84 | Confident | 90 | Very high | 49 Ų | 49 | 50 Ų | 50 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.8 | -178.3 | -26.3 | 35.7 | 0 | 0 | 0 | 114.1 | G120 F139 T143 D145 Q165 | G120-P141 WeakPolarHBondContact O-CD 3.46Å; G120-P141 WeakPolarHBondContact O-CG 3.45Å; F139-P141 WeakPolarHBondContact O-CD 3.32Å; P141-T143 VanDerWaalsContact C-N 3.29Å; P141-T143 PolarHBondContact O-N 2.83Å; P141-D145 HydrophobicContact CB-CB 4.36Å; P141-Q165 PolarHBondContact O-NE2 3.29Å |
| 142 | G | 83.7 | Confident | 90.4 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 63% | 0.629 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -34 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | D140 Q165 | D140-G142 PolarHBondContact O-N 3.38Å; D140-G142 PolarHBondContact OD1-N 2.95Å; G142-Q165 PolarHBondContact O-NE2 2.63Å |
| 143 | T | 87.9 | Confident | 90.3 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 60% | 0.595 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -42 | -176.9 | 63.5 | 0 | 0 | 0 | 0 | 112.7 | D140 P141 | D140-T143 PolarHBondContact O-N 3.29Å; D140-T143 PolarHBondContact O-OG1 3.47Å; P141-T143 VanDerWaalsContact C-N 3.29Å; P141-T143 PolarHBondContact O-N 2.83Å |
| 144 | F | 89.2 | Confident | 90.1 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | trans | -150.3 | 86.6 | -175.6 | -164.3 | -90.6 | 0 | 0 | 0 | 110.6 | F139 D140 V146 L161 A167 Q169 | F139-F144 WeakPolarHBondContact CB-O 3.38Å; F139-F144 HydrophobicContact CD1-CB 4.45Å; F139-F144 AromaticContact CD1-CD1 3.74Å; F139-F144 HydrophobicContact CD1-CD1 3.74Å; F139-F144 HydrophobicContact CD1-CE1 4.46Å; F139-F144 HydrophobicContact CD1-CG 4.41Å; F139-F144 HydrophobicContact CE1-CD1 4.12Å; F139-F144 HydrophobicContact CE1-CE1 4.43Å; F139-F144 HydrophobicContact CG-CD1 4.29Å; D140-F144 PolarHBondContact O-N 2.83Å; F144-V146 HydrophobicContact CD1-CG2 4.13Å; F144-V146 HydrophobicContact CE1-CG2 4.06Å; F144-L161 HydrophobicContact CE1-CB 4.03Å; F144-L161 HydrophobicContact CZ-CB 4.21Å; F144-A167 HydrophobicContact CD2-CB 4.47Å; F144-A167 HydrophobicContact CE2-CB 4.13Å; F144-Q169 HydrophobicContact CD2-CG 4.3Å; F144-Q169 HydrophobicContact CE1-CG 4.46Å; F144-Q169 HydrophobicContact CE2-CB 4.29Å; F144-Q169 HydrophobicContact CE2-CG 3.59Å; F144-Q169 HydrophobicContact CZ-CB 3.89Å; F144-Q169 HydrophobicContact CZ-CG 3.69Å | ||
| 145 | D | 90.9 | Very high | 90 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | trans | -85.8 | 114.2 | 173.5 | -179.2 | 20 | 0 | 0 | 0 | 109.5 | R105 P141 S147 S163 R164 | R105-D145 IonicContact NH1-OD1 3.47Å; R105-D145 PolarHBondContact NH1-OD1 3.49Å; R105-D145 IonicContact NH1-OD2 3.85Å; R105-D145 PolarHBondContact NH1-OD2 3.29Å; P141-D145 HydrophobicContact CB-CB 4.36Å; D145-S147 PolarHBondContact O-N 3.46Å; D145-S163 CarbonylContact O-C 3.56Å; D145-S163 WeakPolarHBondContact O-CA 3.11Å; D145-R164 HydrophobicContact CB-CB 4.31Å; D145-R164 HydrophobicContact CB-CG 4.34Å; D145-R164 PolarHBondContact O-N 3.39Å; D145-R164 WeakPolarHBondContact OD2-CD 3.44Å; D145-R164 IonicContact OD2-CZ 3.99Å; D145-R164 IonicContact OD2-NE 3.51Å; D145-R164 PolarHBondContact OD2-NE 2.97Å; D145-R164 IonicContact OD2-NH1 3.05Å; D145-R164 PolarHBondContact OD2-NH1 3.47Å | ||
| 146 | V | 93 | Very high | 89.9 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 114.3 | -176.4 | -176.2 | 0 | 0 | 0 | 0 | 110 | L106 A117 V123 F139 F144 L161 | L106-V146 HydrophobicContact CD1-CG1 4.11Å; A117-V146 HydrophobicContact CB-CG1 4.4Å; V123-V146 HydrophobicContact CG2-CG2 4.06Å; F139-V146 HydrophobicContact CD2-CG2 4.1Å; F139-V146 HydrophobicContact CE2-CG2 4.47Å; F139-V146 HydrophobicContact CG-CG2 4.4Å; F144-V146 HydrophobicContact CD1-CG2 4.13Å; F144-V146 HydrophobicContact CE1-CG2 4.06Å; V146-L161 HydrophobicContact CG1-CD2 4.1Å; V146-L161 HydrophobicContact CG2-CD1 4.48Å |
| 147 | S | 92.4 | Very high | 89.8 | Confident | 23 Ų | 23 | 45 Ų | 45 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -28.6 | -176.7 | 58.6 | 0 | 0 | 0 | 0 | 114 | D145 G162 V189 | D145-S147 PolarHBondContact O-N 3.46Å; S147-G162 PolarHBondContact N-O 3.01Å; S147-G162 PolarHBondContact OG-O 3.13Å; S147-V189 WeakPolarHBondContact CB-O 3.31Å; S147-V189 PolarHBondContact OG-O 2.94Å |
| 148 | A | 92.2 | Very high | 90 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 5% | 0.05 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G162 V189 L192 | A148-G162 PolarHBondContact N-O 3.13Å; A148-G162 PolarHBondContact O-N 3.13Å; A148-V189 HydrophobicContact CB-CG1 4.26Å; A148-L192 HydrophobicContact CB-CB 4.06Å; A148-L192 HydrophobicContact CB-CD1 3.92Å; A148-L192 HydrophobicContact CB-CG 3.74Å |
| 149 | M | 94.7 | Very high | 90.1 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144 | 179 | 67.5 | -174.1 | -47.2 | 0 | 0 | 110.6 | L106 L108 V115 L161 | L106-M149 HydrophobicContact CB-CG 4.09Å; L106-M149 HydrophobicContact CB-SD 3.39Å; L106-M149 WeakPolarHBondContact CB-SD 3.31Å; L106-M149 HydrophobicContact CD1-CB 4.49Å; L106-M149 HydrophobicContact CD1-CG 4.26Å; L106-M149 HydrophobicContact CD1-SD 4.37Å; L106-M149 HydrophobicContact CG-SD 4.48Å; L108-M149 HydrophobicContact CB-CE 3.36Å; L108-M149 HydrophobicContact CB-CG 4.11Å; L108-M149 HydrophobicContact CB-SD 3.73Å; L108-M149 HydrophobicContact CD2-CE 4.03Å; L108-M149 HydrophobicContact CG-CE 4.36Å; V115-M149 HydrophobicContact CB-CE 3.66Å; V115-M149 HydrophobicContact CG1-CE 3.43Å; V115-M149 VanDerWaalsContact CG1-CE 3.43Å; M149-L161 HydrophobicContact CB-CD2 3.96Å |
| 150 | M | 93.8 | Very high | 90.4 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 5% | 0.054 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 165.6 | 171.8 | 71 | 139 | 81.4 | 0 | 0 | 111.9 | P152 L160 L192 Q193 Q194 V201 | M150-P152 HydrophobicContact SD-CG 4.44Å; M150-L160 HydrophobicContact CG-CB 3.99Å; M150-L160 HydrophobicContact CG-CD2 4.18Å; M150-L160 PolarHBondContact N-O 3.23Å; M150-L160 PolarHBondContact O-N 3.49Å; M150-L160 HydrophobicContact SD-CD2 4.29Å; M150-L192 HydrophobicContact CB-CB 4.37Å; M150-L192 HydrophobicContact CE-CB 3.75Å; M150-L192 HydrophobicContact CG-CB 4.1Å; M150-Q193 VanDerWaalsContact CE-CA 3.44Å; M150-Q193 WeakPolarHBondContact CE-O 3.34Å; M150-Q194 HydrophobicContact CE-CB 4.35Å; M150-Q194 HydrophobicContact SD-CB 4.25Å; M150-V201 HydrophobicContact CE-CB 4.11Å; M150-V201 HydrophobicContact CE-CG1 3.32Å; M150-V201 HydrophobicContact CE-CG2 3.69Å; M150-V201 HydrophobicContact SD-CG1 4.24Å; M150-V201 HydrophobicContact SD-CG2 3.68Å |
| 151 | H | 93.5 | Very high | 90.8 | Very high | 59 Ų | 59 | 35.6 Ų | 35.6 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | trans | -106.4 | 116.8 | 167.1 | 176.8 | 68.5 | 0 | 0 | 0 | 109.9 | L108 L110 Y155 K158 | L108-H151 HydrophobicContact CD2-CB 4.35Å; L110-H151 HydrophobicContact CD1-CB 4.07Å; H151-Y155 PolarHBondContact CE1-O 2.69Å; H151-K158 PolarHBondContact ND1-O 3.27Å | ||
| 152 | P | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | trans | -65.3 | 138.9 | 175.1 | -19.5 | 31.6 | 0 | 0 | 0 | 111.5 | M150 Y155 L160 L170 I215 | M150-P152 HydrophobicContact SD-CG 4.44Å; P152-Y155 HydrophobicContact CB-CD1 4.5Å; P152-Y155 HydrophobicContact CB-CD2 4.06Å; P152-Y155 HydrophobicContact CB-CG 3.97Å; P152-Y155 PolarHBondContact O-N 3.11Å; P152-L160 HydrophobicContact CG-CB 4.06Å; P152-L170 HydrophobicContact CG-CD1 4.36Å; P152-I215 HydrophobicContact CG-CD1 4.35Å | ||
| 153 | S | 86.8 | Confident | 91.8 | Very high | 40 Ų | 40 | 30.4 Ų | 30.4 | 28% | 0.28 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 140.3 | 177.7 | 67.2 | 0 | 0 | 0 | 0 | 110.6 | Y155 Q194 | S153-Y155 VanDerWaalsContact C-N 3.25Å; S153-Y155 VanDerWaalsContact O-CD2 3.31Å; S153-Y155 WeakPolarHBondContact O-CD2 3.43Å; S153-Y155 PolarHBondContact O-N 3.34Å; S153-Q194 PolarHBondContact OG-NE2 3.47Å |
| 154 | T | 87.9 | Confident | 91.9 | Very high | 109 Ų | 109 | 32 Ų | 32 | 67% | 0.669 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -7.8 | -175.8 | 76.7 | 0 | 0 | 0 | 0 | 116.8 | L156 V198 | T154-L156 PolarHBondContact O-N 3.4Å; T154-V198 HydrophobicContact CG2-CG1 4.32Å |
| 155 | Y | 88.1 | Confident | 92 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 11% | 0.106 | 18% | 0.179 | C | C | . | . | trans | -93.5 | 78.2 | -173.4 | -82.5 | -124.3 | 0 | 0 | 0 | 112.3 | H151 P152 S153 N157 K158 L170 D199 | H151-Y155 PolarHBondContact CE1-O 2.69Å; P152-Y155 HydrophobicContact CB-CD1 4.5Å; P152-Y155 HydrophobicContact CB-CD2 4.06Å; P152-Y155 HydrophobicContact CB-CG 3.97Å; P152-Y155 PolarHBondContact O-N 3.11Å; S153-Y155 VanDerWaalsContact C-N 3.25Å; S153-Y155 VanDerWaalsContact O-CD2 3.31Å; S153-Y155 WeakPolarHBondContact O-CD2 3.43Å; S153-Y155 PolarHBondContact O-N 3.34Å; Y155-N157 PolarHBondContact O-N 2.93Å; Y155-K158 HydrophobicContact CD1-CB 4.49Å; Y155-K158 HydrophobicContact CD1-CD 3.49Å; Y155-K158 VanDerWaalsContact CD1-CD 3.49Å; Y155-K158 HydrophobicContact CE1-CD 4.44Å; Y155-K158 HydrophobicContact CG-CD 4.12Å; Y155-K158 PolarHBondContact O-N 3.23Å; Y155-K158 VanDerWaalsContact O-N 3.07Å; Y155-L170 HydrophobicContact CD1-CD2 4.22Å; Y155-L170 HydrophobicContact CE1-CD2 4.12Å; Y155-D199 WeakPolarHBondContact CE2-OD1 3.27Å; Y155-D199 VanDerWaalsContact CZ-OD1 3.27Å; Y155-D199 PolarHBondContact OH-OD1 3.04Å | ||
| 156 | L | 89.2 | Confident | 91.9 | Very high | 122 Ų | 122 | 34.7 Ų | 34.7 | 64% | 0.639 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 124 | -175.4 | -162.3 | 123.8 | 0 | 0 | 0 | 113.4 | T154 K158 | T154-L156 PolarHBondContact O-N 3.4Å; L156-K158 PolarHBondContact O-N 3.03Å |
| 157 | N | 89.3 | Confident | 91.9 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 15% | 0.15 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 21.6 | -178.5 | -51.8 | -36.6 | 0 | 0 | 0 | 116.1 | Y155 I173 R174 | Y155-N157 PolarHBondContact O-N 2.93Å; N157-I173 PolarHBondContact O-N 3.3Å; N157-R174 HydrophobicContact CB-CB 4.17Å; N157-R174 PolarHBondContact ND2-NE 3.48Å; N157-R174 VanDerWaalsContact ND2-NE 3.11Å; N157-R174 PolarHBondContact ND2-NH2 3.5Å |
| 158 | K | 93.1 | Very high | 92 | Very high | 60 Ų | 60 | 34.8 Ų | 34.8 | 26% | 0.261 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 141.4 | 174.8 | -53.5 | 166.7 | -176.4 | 171.9 | 0 | 110.8 | H151 Y155 L156 L170 W171 N172 L179 | H151-K158 PolarHBondContact ND1-O 3.27Å; Y155-K158 HydrophobicContact CD1-CB 4.49Å; Y155-K158 HydrophobicContact CD1-CD 3.49Å; Y155-K158 VanDerWaalsContact CD1-CD 3.49Å; Y155-K158 HydrophobicContact CE1-CD 4.44Å; Y155-K158 HydrophobicContact CG-CD 4.12Å; Y155-K158 PolarHBondContact O-N 3.23Å; Y155-K158 VanDerWaalsContact O-N 3.07Å; L156-K158 PolarHBondContact O-N 3.03Å; K158-L170 HydrophobicContact CB-CD1 4.03Å; K158-W171 CarbonylContact C-O 3.51Å; K158-W171 WeakPolarHBondContact CA-O 3.28Å; K158-W171 WeakPolarHBondContact CB-O 3.17Å; K158-N172 HydrophobicContact CG-CB 4.46Å; K158-L179 HydrophobicContact CD-CD1 3.67Å; K158-L179 HydrophobicContact CG-CD1 3.94Å |
| 159 | V | 94.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.024 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.5 | 175.8 | 165.6 | 0 | 0 | 0 | 0 | 109 | L108 L110 L161 W171 I173 | L108-V159 HydrophobicContact CD2-CG1 4.31Å; L108-V159 HydrophobicContact CD2-CG2 3.99Å; L110-V159 HydrophobicContact CD2-CG2 4.2Å; V159-L161 HydrophobicContact CG1-CD2 3.66Å; V159-L161 HydrophobicContact CG1-CG 4.21Å; V159-W171 PolarHBondContact N-O 3.12Å; V159-W171 PolarHBondContact O-N 3.21Å; V159-I173 HydrophobicContact CB-CD1 4.04Å; V159-I173 HydrophobicContact CG2-CD1 3.36Å; V159-I173 HydrophobicContact CG2-CG1 4.32Å |
| 160 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.1 | 174.4 | -174.5 | 73.3 | 0 | 0 | 0 | 108.1 | M150 P152 L168 L170 F182 L192 V201 I215 | M150-L160 HydrophobicContact CG-CB 3.99Å; M150-L160 HydrophobicContact CG-CD2 4.18Å; M150-L160 PolarHBondContact N-O 3.23Å; M150-L160 PolarHBondContact O-N 3.49Å; M150-L160 HydrophobicContact SD-CD2 4.29Å; P152-L160 HydrophobicContact CG-CB 4.06Å; L160-L168 HydrophobicContact CD1-CB 4.21Å; L160-L170 HydrophobicContact CB-CD1 4.34Å; L160-L170 HydrophobicContact CD1-CB 4.29Å; L160-L170 HydrophobicContact CD1-CD1 4.29Å; L160-F182 HydrophobicContact CD1-CD2 4.35Å; L160-F182 HydrophobicContact CD1-CE2 4.01Å; L160-L192 HydrophobicContact CD2-CD1 4.28Å; L160-L192 HydrophobicContact CD2-CD2 4.48Å; L160-L192 HydrophobicContact CG-CD1 4.36Å; L160-V201 HydrophobicContact CD2-CG1 4.24Å; L160-I215 HydrophobicContact CD2-CD1 3.67Å |
| 161 | L | 94.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.9 | 176.7 | -58.9 | 179 | 0 | 0 | 0 | 108.9 | F139 F144 V146 M149 V159 L168 Q169 | F139-L161 HydrophobicContact CE2-CD1 3.95Å; F139-L161 HydrophobicContact CZ-CD1 3.71Å; F144-L161 HydrophobicContact CE1-CB 4.03Å; F144-L161 HydrophobicContact CZ-CB 4.21Å; V146-L161 HydrophobicContact CG1-CD2 4.1Å; V146-L161 HydrophobicContact CG2-CD1 4.48Å; M149-L161 HydrophobicContact CB-CD2 3.96Å; V159-L161 HydrophobicContact CG1-CD2 3.66Å; V159-L161 HydrophobicContact CG1-CG 4.21Å; L161-L168 CarbonylContact O-C 3.49Å; L161-L168 WeakPolarHBondContact O-CA 3.46Å; L161-Q169 PolarHBondContact N-O 3.08Å; L161-Q169 PolarHBondContact O-N 2.8Å |
| 162 | G | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 145.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S147 A148 | S147-G162 PolarHBondContact N-O 3.01Å; S147-G162 PolarHBondContact OG-O 3.13Å; A148-G162 PolarHBondContact N-O 3.13Å; A148-G162 PolarHBondContact O-N 3.13Å |
| 163 | S | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 153 | -178.2 | 134.8 | 0 | 0 | 0 | 0 | 112.9 | D145 Q165 G166 A167 V189 | D145-S163 CarbonylContact O-C 3.56Å; D145-S163 WeakPolarHBondContact O-CA 3.11Å; S163-Q165 PolarHBondContact O-N 2.81Å; S163-Q165 WeakPolarHBondContact OG-CB 3.3Å; S163-Q165 PolarHBondContact OG-N 3.1Å; S163-Q165 PolarHBondContact OG-OE1 3.45Å; S163-G166 WeakPolarHBondContact O-CA 3.5Å; S163-G166 PolarHBondContact O-N 3.49Å; S163-A167 PolarHBondContact N-O 2.61Å; S163-V189 PolarHBondContact O-N 3.34Å; S163-V189 VanDerWaalsContact O-N 3.16Å |
| 164 | R | 91.6 | Very high | 92.2 | Very high | 131 Ų | 131 | 41.2 Ų | 41.2 | 49% | 0.494 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.8 | 170.1 | -68.5 | -160.7 | 175.6 | 148.3 | -14.2 | 113.8 | D145 A188 | D145-R164 HydrophobicContact CB-CB 4.31Å; D145-R164 HydrophobicContact CB-CG 4.34Å; D145-R164 PolarHBondContact O-N 3.39Å; D145-R164 WeakPolarHBondContact OD2-CD 3.44Å; D145-R164 IonicContact OD2-CZ 3.99Å; D145-R164 IonicContact OD2-NE 3.51Å; D145-R164 PolarHBondContact OD2-NE 2.97Å; D145-R164 IonicContact OD2-NH1 3.05Å; D145-R164 PolarHBondContact OD2-NH1 3.47Å; R164-A188 HydrophobicContact CB-CB 4.47Å; R164-A188 WeakPolarHBondContact O-CA 3.38Å; R164-A188 WeakPolarHBondContact O-CB 3.4Å |
| 165 | Q | 90.6 | Very high | 92.2 | Very high | 78 Ų | 78 | 39 Ų | 39 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -16.3 | 172.3 | -63.1 | 77.9 | 7.6 | 0 | 0 | 111.9 | P141 G142 S163 | P141-Q165 PolarHBondContact O-NE2 3.29Å; G142-Q165 PolarHBondContact O-NE2 2.63Å; S163-Q165 PolarHBondContact O-N 2.81Å; S163-Q165 WeakPolarHBondContact OG-CB 3.3Å; S163-Q165 PolarHBondContact OG-N 3.1Å; S163-Q165 PolarHBondContact OG-OE1 3.45Å |
| 166 | G | 89 | Confident | 92.2 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 108.6 | -13.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S163 G184 A187 | S163-G166 WeakPolarHBondContact O-CA 3.5Å; S163-G166 PolarHBondContact O-N 3.49Å; G166-G184 WeakPolarHBondContact O-CA 3.42Å; G166-A187 WeakPolarHBondContact CA-O 3.29Å |
| 167 | A | 93 | Very high | 92.3 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | trans | -71.8 | 153.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F144 S163 | F144-A167 HydrophobicContact CD2-CB 4.47Å; F144-A167 HydrophobicContact CE2-CB 4.13Å; S163-A167 PolarHBondContact N-O 2.61Å | ||
| 168 | L | 94.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 144.8 | 168.9 | -51.7 | 174.2 | 0 | 0 | 0 | 109.7 | L160 L161 T181 F182 W185 V189 L192 V203 | L160-L168 HydrophobicContact CD1-CB 4.21Å; L161-L168 CarbonylContact O-C 3.49Å; L161-L168 WeakPolarHBondContact O-CA 3.46Å; L168-T181 WeakPolarHBondContact O-CA 3.43Å; L168-F182 HydrophobicContact CB-CB 3.96Å; L168-F182 HydrophobicContact CB-CD2 3.74Å; L168-F182 HydrophobicContact CB-CG 4.19Å; L168-F182 PolarHBondContact N-O 3.24Å; L168-F182 PolarHBondContact O-N 2.73Å; L168-W185 HydrophobicContact CD1-CH2 4.01Å; L168-W185 HydrophobicContact CD1-CZ3 3.98Å; L168-W185 HydrophobicContact CG-CZ3 4.41Å; L168-V189 HydrophobicContact CD2-CG1 4.3Å; L168-V189 HydrophobicContact CD2-CG2 3.87Å; L168-L192 HydrophobicContact CD2-CD1 4.26Å; L168-L192 HydrophobicContact CD2-CD2 4Å; L168-V203 HydrophobicContact CD1-CG2 4.14Å |
| 169 | Q | 94.3 | Very high | 92.6 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.8 | 175.2 | -71.6 | -177.8 | 4.2 | 0 | 0 | 110.7 | F144 L161 L178 T181 | F144-Q169 HydrophobicContact CD2-CG 4.3Å; F144-Q169 HydrophobicContact CE1-CG 4.46Å; F144-Q169 HydrophobicContact CE2-CB 4.29Å; F144-Q169 HydrophobicContact CE2-CG 3.59Å; F144-Q169 HydrophobicContact CZ-CB 3.89Å; F144-Q169 HydrophobicContact CZ-CG 3.69Å; L161-Q169 PolarHBondContact N-O 3.08Å; L161-Q169 PolarHBondContact O-N 2.8Å; Q169-L178 HydrophobicContact CB-CD1 3.81Å; Q169-L178 HydrophobicContact CG-CD1 4.01Å; Q169-T181 HydrophobicContact CG-CG2 4.13Å |
| 170 | L | 94.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.2 | 175 | -175.1 | 67.3 | 0 | 0 | 0 | 109.8 | P152 Y155 K158 L160 L179 F180 F182 I215 | P152-L170 HydrophobicContact CG-CD1 4.36Å; Y155-L170 HydrophobicContact CD1-CD2 4.22Å; Y155-L170 HydrophobicContact CE1-CD2 4.12Å; K158-L170 HydrophobicContact CB-CD1 4.03Å; L160-L170 HydrophobicContact CB-CD1 4.34Å; L160-L170 HydrophobicContact CD1-CB 4.29Å; L160-L170 HydrophobicContact CD1-CD1 4.29Å; L170-L179 HydrophobicContact CD2-CB 4.48Å; L170-L179 HydrophobicContact CD2-CD1 4.25Å; L170-L179 HydrophobicContact CG-CB 4.48Å; L170-L179 HydrophobicContact CG-CD1 4.32Å; L170-L179 WeakPolarHBondContact O-CB 3.26Å; L170-L179 PolarHBondContact O-N 3.04Å; L170-F180 PolarHBondContact N-O 3.14Å; L170-F180 PolarHBondContact O-N 3.28Å; L170-F182 HydrophobicContact CB-CE2 4.15Å; L170-I215 HydrophobicContact CD2-CG2 4.5Å |
| 171 | W | 94.9 | Very high | 92.5 | Very high | 40 Ų | 40 | 52 Ų | 52 | 15% | 0.152 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.1 | -176.9 | -76.1 | 83.6 | 0 | 0 | 0 | 111.3 | L137 F139 K158 V159 L178 | L137-W171 HydrophobicContact CD1-CD2 4.21Å; L137-W171 HydrophobicContact CD1-CE3 3.96Å; L137-W171 HydrophobicContact CD1-CZ3 4.34Å; L137-W171 HydrophobicContact CD2-CE3 4.26Å; L137-W171 HydrophobicContact CD2-CZ3 3.91Å; F139-W171 AromaticContact CE1-CE2 3.92Å; F139-W171 AromaticContact CE1-CZ2 3.66Å; F139-W171 HydrophobicContact CE1-CZ2 3.66Å; F139-W171 AromaticContact CE1-NE1 3.87Å; F139-W171 AromaticContact CZ-CE2 3.76Å; F139-W171 AromaticContact CZ-CZ2 3.8Å; F139-W171 HydrophobicContact CZ-CZ2 3.8Å; F139-W171 AromaticContact CZ-NE1 3.75Å; K158-W171 CarbonylContact C-O 3.51Å; K158-W171 WeakPolarHBondContact CA-O 3.28Å; K158-W171 WeakPolarHBondContact CB-O 3.17Å; V159-W171 PolarHBondContact N-O 3.12Å; V159-W171 PolarHBondContact O-N 3.21Å; W171-L178 HydrophobicContact CD2-CB 4.26Å; W171-L178 HydrophobicContact CD2-CD1 4.3Å; W171-L178 HydrophobicContact CE3-CB 4.27Å; W171-L178 HydrophobicContact CG-CD1 4.5Å; W171-L178 HydrophobicContact CH2-CB 3.94Å; W171-L178 HydrophobicContact CZ2-CB 3.9Å; W171-L178 HydrophobicContact CZ2-CD1 4.11Å; W171-L178 HydrophobicContact CZ2-CG 4.41Å; W171-L178 HydrophobicContact CZ3-CB 4.12Å |
| 172 | N | 93.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 52 Ų | 52 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115.1 | 166 | -174.9 | -23 | 0 | 0 | 0 | 109.3 | K158 R174 T175 S176 K177 L179 | K158-N172 HydrophobicContact CG-CB 4.46Å; N172-R174 PolarHBondContact OD1-N 2.89Å; N172-T175 WeakPolarHBondContact CB-OG1 3.4Å; N172-T175 PolarHBondContact ND2-OG1 3.09Å; N172-T175 PolarHBondContact OD1-N 2.98Å; N172-S176 VanDerWaalsContact O-CA 3.31Å; N172-S176 WeakPolarHBondContact O-CA 3.22Å; N172-S176 PolarHBondContact O-N 3Å; N172-K177 PolarHBondContact N-O 3.43Å; N172-K177 PolarHBondContact O-N 3.48Å; N172-L179 HydrophobicContact CB-CD1 4.07Å; N172-L179 HydrophobicContact CB-CD2 4.24Å; N172-L179 HydrophobicContact CB-CG 4.12Å |
| 173 | I | 90.6 | Very high | 91.9 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -39 | -176.3 | -65.6 | 168 | 0 | 0 | 0 | 111.1 | L110 V115 V125 Y134 L135 N157 V159 T175 S176 | L110-I173 HydrophobicContact CD2-CD1 3.71Å; V115-I173 HydrophobicContact CG2-CD1 3.88Å; V125-I173 HydrophobicContact CB-CG2 4.44Å; V125-I173 HydrophobicContact CG1-CG2 3.93Å; V125-I173 HydrophobicContact CG2-CG2 3.99Å; Y134-I173 HydrophobicContact CD1-CG2 4.29Å; Y134-I173 HydrophobicContact CE1-CG2 4.13Å; L135-I173 HydrophobicContact CD2-CG2 4.32Å; N157-I173 PolarHBondContact O-N 3.3Å; V159-I173 HydrophobicContact CB-CD1 4.04Å; V159-I173 HydrophobicContact CG2-CD1 3.36Å; V159-I173 HydrophobicContact CG2-CG1 4.32Å; I173-T175 PolarHBondContact O-N 2.77Å; I173-S176 PolarHBondContact O-N 3.25Å |
| 174 | R | 89.1 | Confident | 91.5 | Very high | 159 Ų | 159 | 58.2 Ų | 58.2 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -37.8 | -178.6 | -178.1 | 178.6 | -70.5 | 177.8 | -2.5 | 112 | N157 N172 | N157-R174 HydrophobicContact CB-CB 4.17Å; N157-R174 PolarHBondContact ND2-NE 3.48Å; N157-R174 VanDerWaalsContact ND2-NE 3.11Å; N157-R174 PolarHBondContact ND2-NH2 3.5Å; N172-R174 PolarHBondContact OD1-N 2.89Å |
| 175 | T | 88.3 | Confident | 91.3 | Very high | 61 Ų | 61 | 55 Ų | 55 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 0.2 | -178.2 | 64 | 0 | 0 | 0 | 0 | 113.5 | N172 I173 K177 | N172-T175 WeakPolarHBondContact CB-OG1 3.4Å; N172-T175 PolarHBondContact ND2-OG1 3.09Å; N172-T175 PolarHBondContact OD1-N 2.98Å; I173-T175 PolarHBondContact O-N 2.77Å; T175-K177 WeakPolarHBondContact O-CG 3.23Å; T175-K177 PolarHBondContact O-N 3.34Å; T175-K177 VanDerWaalsContact O-N 3.12Å |
| 176 | S | 88.5 | Confident | 91.1 | Very high | 66 Ų | 66 | 57 Ų | 57 | 46% | 0.462 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 38.6 | -172.9 | 71.3 | 0 | 0 | 0 | 0 | 114.1 | N172 I173 | N172-S176 VanDerWaalsContact O-CA 3.31Å; N172-S176 WeakPolarHBondContact O-CA 3.22Å; N172-S176 PolarHBondContact O-N 3Å; I173-S176 PolarHBondContact O-N 3.25Å |
| 177 | K | 91.8 | Very high | 91.1 | Very high | 138 Ų | 138 | 57.5 Ų | 57.5 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.5 | -176.4 | -78.1 | 179.1 | -176.6 | -174.3 | 0 | 111.1 | N172 T175 L179 | N172-K177 PolarHBondContact N-O 3.43Å; N172-K177 PolarHBondContact O-N 3.48Å; T175-K177 WeakPolarHBondContact O-CG 3.23Å; T175-K177 PolarHBondContact O-N 3.34Å; T175-K177 VanDerWaalsContact O-N 3.12Å; K177-L179 PolarHBondContact O-N 2.92Å |
| 178 | L | 93.4 | Very high | 91.1 | Very high | 76 Ų | 76 | 57.7 Ų | 57.7 | 40% | 0.398 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 120.5 | 163.5 | 176.9 | 64.1 | 0 | 0 | 0 | 108.4 | Q169 W171 | Q169-L178 HydrophobicContact CB-CD1 3.81Å; Q169-L178 HydrophobicContact CG-CD1 4.01Å; W171-L178 HydrophobicContact CD2-CB 4.26Å; W171-L178 HydrophobicContact CD2-CD1 4.3Å; W171-L178 HydrophobicContact CE3-CB 4.27Å; W171-L178 HydrophobicContact CG-CD1 4.5Å; W171-L178 HydrophobicContact CH2-CB 3.94Å; W171-L178 HydrophobicContact CZ2-CB 3.9Å; W171-L178 HydrophobicContact CZ2-CD1 4.11Å; W171-L178 HydrophobicContact CZ2-CG 4.41Å; W171-L178 HydrophobicContact CZ3-CB 4.12Å |
| 179 | L | 93.4 | Very high | 91.1 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 41% | 0.408 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -43.8 | 180 | -63.3 | -179.7 | 0 | 0 | 0 | 111.7 | K158 L170 N172 K177 | K158-L179 HydrophobicContact CD-CD1 3.67Å; K158-L179 HydrophobicContact CG-CD1 3.94Å; L170-L179 HydrophobicContact CD2-CB 4.48Å; L170-L179 HydrophobicContact CD2-CD1 4.25Å; L170-L179 HydrophobicContact CG-CB 4.48Å; L170-L179 HydrophobicContact CG-CD1 4.32Å; L170-L179 WeakPolarHBondContact O-CB 3.26Å; L170-L179 PolarHBondContact O-N 3.04Å; N172-L179 HydrophobicContact CB-CD1 4.07Å; N172-L179 HydrophobicContact CB-CD2 4.24Å; N172-L179 HydrophobicContact CB-CG 4.12Å; K177-L179 PolarHBondContact O-N 2.92Å |
| 180 | F | 94 | Very high | 91.1 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 40% | 0.404 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 147.8 | -175.5 | -163.6 | -99.4 | 0 | 0 | 0 | 111.4 | L170 F182 D218 | L170-F180 PolarHBondContact N-O 3.14Å; L170-F180 PolarHBondContact O-N 3.28Å; F180-F182 HydrophobicContact CB-CZ 4.48Å; F180-F182 AromaticContact CD1-CD1 3.57Å; F180-F182 HydrophobicContact CD1-CD1 3.57Å; F180-F182 AromaticContact CD1-CD2 3.92Å; F180-F182 HydrophobicContact CD1-CD2 3.92Å; F180-F182 AromaticContact CD1-CE1 3.36Å; F180-F182 HydrophobicContact CD1-CE1 3.36Å; F180-F182 AromaticContact CD1-CE2 3.72Å; F180-F182 HydrophobicContact CD1-CE2 3.72Å; F180-F182 AromaticContact CD1-CG 3.85Å; F180-F182 HydrophobicContact CD1-CG 3.85Å; F180-F182 AromaticContact CD1-CZ 3.42Å; F180-F182 HydrophobicContact CD1-CZ 3.42Å; F180-F182 VanDerWaalsContact CD1-CZ 3.42Å; F180-F182 AromaticContact CE1-CD1 3.42Å; F180-F182 HydrophobicContact CE1-CD1 3.42Å; F180-F182 VanDerWaalsContact CE1-CD1 3.42Å; F180-F182 AromaticContact CE1-CE1 3.47Å; F180-F182 HydrophobicContact CE1-CE1 3.47Å; F180-F182 VanDerWaalsContact CE1-CE1 3.47Å; F180-F182 AromaticContact CE1-CG 3.98Å; F180-F182 HydrophobicContact CE1-CG 3.98Å; F180-F182 HydrophobicContact CE1-CZ 4.05Å; F180-F182 HydrophobicContact CG-CZ 4.3Å; F180-D218 HydrophobicContact CE1-CB 4.47Å |
| 181 | T | 94.1 | Very high | 91.1 | Very high | 64 Ų | 64 | 59.2 Ų | 59.2 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 122.6 | 172.6 | -58 | 0 | 0 | 0 | 0 | 108.7 | L168 Q169 | L168-T181 WeakPolarHBondContact O-CA 3.43Å; Q169-T181 HydrophobicContact CG-CG2 4.13Å |
| 182 | F | 93.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.022 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.3 | 178.8 | -58.4 | -85.2 | 0 | 0 | 0 | 109.4 | L160 L168 L170 F180 G184 I215 D218 | L160-F182 HydrophobicContact CD1-CD2 4.35Å; L160-F182 HydrophobicContact CD1-CE2 4.01Å; L168-F182 HydrophobicContact CB-CB 3.96Å; L168-F182 HydrophobicContact CB-CD2 3.74Å; L168-F182 HydrophobicContact CB-CG 4.19Å; L168-F182 PolarHBondContact N-O 3.24Å; L168-F182 PolarHBondContact O-N 2.73Å; L170-F182 HydrophobicContact CB-CE2 4.15Å; F180-F182 HydrophobicContact CB-CZ 4.48Å; F180-F182 AromaticContact CD1-CD1 3.57Å; F180-F182 HydrophobicContact CD1-CD1 3.57Å; F180-F182 AromaticContact CD1-CD2 3.92Å; F180-F182 HydrophobicContact CD1-CD2 3.92Å; F180-F182 AromaticContact CD1-CE1 3.36Å; F180-F182 HydrophobicContact CD1-CE1 3.36Å; F180-F182 AromaticContact CD1-CE2 3.72Å; F180-F182 HydrophobicContact CD1-CE2 3.72Å; F180-F182 AromaticContact CD1-CG 3.85Å; F180-F182 HydrophobicContact CD1-CG 3.85Å; F180-F182 AromaticContact CD1-CZ 3.42Å; F180-F182 HydrophobicContact CD1-CZ 3.42Å; F180-F182 VanDerWaalsContact CD1-CZ 3.42Å; F180-F182 AromaticContact CE1-CD1 3.42Å; F180-F182 HydrophobicContact CE1-CD1 3.42Å; F180-F182 VanDerWaalsContact CE1-CD1 3.42Å; F180-F182 AromaticContact CE1-CE1 3.47Å; F180-F182 HydrophobicContact CE1-CE1 3.47Å; F180-F182 VanDerWaalsContact CE1-CE1 3.47Å; F180-F182 AromaticContact CE1-CG 3.98Å; F180-F182 HydrophobicContact CE1-CG 3.98Å; F180-F182 HydrophobicContact CE1-CZ 4.05Å; F180-F182 HydrophobicContact CG-CZ 4.3Å; F182-G184 PolarHBondContact O-N 3.18Å; F182-I215 HydrophobicContact CE1-CG2 4.23Å; F182-I215 WeakPolarHBondContact CE1-O 3.16Å; F182-I215 HydrophobicContact CE2-CG2 4.07Å; F182-I215 HydrophobicContact CZ-CB 4.33Å; F182-I215 HydrophobicContact CZ-CG2 3.43Å; F182-I215 VanDerWaalsContact CZ-CG2 3.43Å; F182-I215 WeakPolarHBondContact CZ-O 3.36Å; F182-D218 HydrophobicContact CD1-CB 4.27Å; F182-D218 VanDerWaalsContact CD1-OD1 3.25Å; F182-D218 WeakPolarHBondContact CD1-OD1 3.22Å; F182-D218 HydrophobicContact CE1-CB 4.23Å |
| 183 | P | 84.1 | Confident | 91.2 | Very high | 106 Ų | 106 | 60.1 Ų | 60.1 | 69% | 0.688 | 33% | 0.329 | S | S | * | . | trans | -72 | 84 | 173.1 | 31.3 | -32.1 | 0 | 0 | 0 | 107.8 | ||||
| 184 | G | 84.9 | Confident | 91.4 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 24% | 0.237 | 33% | 0.334 | C | S | . | . | trans | -65.1 | -171.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | G166 F182 S186 | G166-G184 WeakPolarHBondContact O-CA 3.42Å; F182-G184 PolarHBondContact O-N 3.18Å; G184-S186 VanDerWaalsContact C-N 3.31Å; G184-S186 PolarHBondContact O-N 3.4Å; G184-S186 VanDerWaalsContact O-N 3.11Å | ||
| 185 | W | 87.5 | Confident | 91.6 | Very high | 63 Ų | 63 | 54 Ų | 54 | 24% | 0.239 | 31% | 0.308 | C | S | . | . | trans | -90.7 | 30.9 | -160.9 | -53.8 | -87 | 0 | 0 | 0 | 115.4 | L168 A187 V203 I211 H213 T220 | L168-W185 HydrophobicContact CD1-CH2 4.01Å; L168-W185 HydrophobicContact CD1-CZ3 3.98Å; L168-W185 HydrophobicContact CG-CZ3 4.41Å; W185-A187 PolarHBondContact O-N 3.4Å; W185-V203 HydrophobicContact CE3-CG1 4.3Å; W185-V203 HydrophobicContact CH2-CB 4.26Å; W185-V203 HydrophobicContact CH2-CG1 4.46Å; W185-V203 HydrophobicContact CH2-CG2 3.77Å; W185-V203 HydrophobicContact CZ3-CB 3.98Å; W185-V203 HydrophobicContact CZ3-CG1 3.71Å; W185-V203 HydrophobicContact CZ3-CG2 3.84Å; W185-I211 HydrophobicContact CB-CD1 3.8Å; W185-I211 HydrophobicContact CD2-CD1 3.25Å; W185-I211 HydrophobicContact CD2-CG1 4.5Å; W185-I211 HydrophobicContact CD2-CG2 4.39Å; W185-I211 HydrophobicContact CE3-CD1 3.77Å; W185-I211 HydrophobicContact CG-CD1 3.25Å; W185-I211 HydrophobicContact CH2-CG2 4.25Å; W185-I211 HydrophobicContact CZ2-CB 4.38Å; W185-I211 HydrophobicContact CZ2-CD1 4.41Å; W185-I211 HydrophobicContact CZ2-CG2 3.58Å; W185-H213 HydrophobicContact CH2-CB 4.08Å; W185-H213 HydrophobicContact CZ2-CB 4.05Å; W185-H213 AromaticContact CZ2-CG 3.78Å; W185-H213 AromaticContact CZ2-ND1 3.67Å; W185-T220 HydrophobicContact CZ2-CG2 3.86Å; W185-T220 VanDerWaalsContact NE1-CG2 3.27Å | ||
| 186 | S | 85.6 | Confident | 91.7 | Very high | 121 Ų | 121 | 55 Ų | 55 | 85% | 0.846 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 52.5 | 23.2 | -178.1 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | G184 | G184-S186 VanDerWaalsContact C-N 3.31Å; G184-S186 PolarHBondContact O-N 3.4Å; G184-S186 VanDerWaalsContact O-N 3.11Å |
| 187 | A | 89.9 | Confident | 91.9 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -136.1 | 142.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G166 W185 V189 T205 T207 | G166-A187 WeakPolarHBondContact CA-O 3.29Å; W185-A187 PolarHBondContact O-N 3.4Å; A187-V189 PolarHBondContact O-N 2.8Å; A187-T205 HydrophobicContact CB-CG2 4.16Å; A187-T207 HydrophobicContact CB-CG2 4.08Å |
| 188 | A | 93.2 | Very high | 91.8 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | trans | -60 | 127.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R164 T190 T205 A206 | R164-A188 HydrophobicContact CB-CB 4.47Å; R164-A188 WeakPolarHBondContact O-CA 3.38Å; R164-A188 WeakPolarHBondContact O-CB 3.4Å; A188-T190 PolarHBondContact O-N 3.17Å; A188-T205 CarbonylContact O-C 3.43Å; A188-T205 VanDerWaalsContact O-CA 3.26Å; A188-T205 WeakPolarHBondContact O-CA 3.39Å; A188-A206 HydrophobicContact CB-CB 3.86Å; A188-A206 PolarHBondContact O-N 3.41Å | ||
| 189 | V | 95.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 122.7 | 174.7 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | S147 A148 S163 L168 A187 L192 V203 | S147-V189 WeakPolarHBondContact CB-O 3.31Å; S147-V189 PolarHBondContact OG-O 2.94Å; A148-V189 HydrophobicContact CB-CG1 4.26Å; S163-V189 PolarHBondContact O-N 3.34Å; S163-V189 VanDerWaalsContact O-N 3.16Å; L168-V189 HydrophobicContact CD2-CG1 4.3Å; L168-V189 HydrophobicContact CD2-CG2 3.87Å; A187-V189 PolarHBondContact O-N 2.8Å; V189-L192 HydrophobicContact CG1-CD2 3.95Å; V189-L192 HydrophobicContact CG1-CG 3.92Å; V189-V203 HydrophobicContact CB-CG1 4.44Å; V189-V203 HydrophobicContact CG1-CG1 3.79Å; V189-V203 HydrophobicContact CG2-CG1 3.94Å |
| 190 | T | 93.8 | Very high | 91.8 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 31% | 0.307 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -34.1 | 179.8 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | A188 G204 A206 I231 | A188-T190 PolarHBondContact O-N 3.17Å; T190-G204 PolarHBondContact N-O 3.12Å; T190-G204 PolarHBondContact OG1-O 3.43Å; T190-A206 HydrophobicContact CG2-CB 3.89Å; T190-I231 WeakPolarHBondContact CB-O 3.37Å; T190-I231 PolarHBondContact OG1-O 2.88Å |
| 191 | V | 94.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 13% | 0.127 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 143.8 | -177.5 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | G204 I231 L234 | V191-G204 PolarHBondContact N-O 3.25Å; V191-G204 PolarHBondContact O-N 3.32Å; V191-I231 HydrophobicContact CG1-CG2 3.79Å; V191-L234 HydrophobicContact CG1-CB 4.3Å; V191-L234 HydrophobicContact CG1-CD1 3.8Å; V191-L234 HydrophobicContact CG1-CG 3.75Å |
| 192 | L | 95.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 123 | 173.7 | -74.9 | 178.9 | 0 | 0 | 0 | 108 | A148 M150 L160 L168 V189 V201 V203 | A148-L192 HydrophobicContact CB-CB 4.06Å; A148-L192 HydrophobicContact CB-CD1 3.92Å; A148-L192 HydrophobicContact CB-CG 3.74Å; M150-L192 HydrophobicContact CB-CB 4.37Å; M150-L192 HydrophobicContact CE-CB 3.75Å; M150-L192 HydrophobicContact CG-CB 4.1Å; L160-L192 HydrophobicContact CD2-CD1 4.28Å; L160-L192 HydrophobicContact CD2-CD2 4.48Å; L160-L192 HydrophobicContact CG-CD1 4.36Å; L168-L192 HydrophobicContact CD2-CD1 4.26Å; L168-L192 HydrophobicContact CD2-CD2 4Å; V189-L192 HydrophobicContact CG1-CD2 3.95Å; V189-L192 HydrophobicContact CG1-CG 3.92Å; L192-V201 HydrophobicContact CD2-CG1 4.21Å; L192-V203 HydrophobicContact CD2-CB 4.24Å; L192-V203 HydrophobicContact CD2-CG1 4.02Å; L192-V203 HydrophobicContact CD2-CG2 3.76Å |
| 193 | Q | 95.3 | Very high | 92.1 | Very high | 77 Ų | 77 | 38.6 Ų | 38.6 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 129.7 | 178 | -174.7 | 62.6 | 32.6 | 0 | 0 | 111.7 | M150 S195 G202 L234 F236 | M150-Q193 VanDerWaalsContact CE-CA 3.44Å; M150-Q193 WeakPolarHBondContact CE-O 3.34Å; Q193-S195 PolarHBondContact O-N 3.32Å; Q193-G202 PolarHBondContact N-O 3.32Å; Q193-G202 PolarHBondContact O-N 3.41Å; Q193-L234 HydrophobicContact CB-CB 4.02Å; Q193-L234 WeakPolarHBondContact CG-O 3.5Å; Q193-F236 HydrophobicContact CB-CD2 4.42Å; Q193-F236 HydrophobicContact CB-CE2 4.11Å; Q193-F236 HydrophobicContact CG-CD2 3.8Å; Q193-F236 HydrophobicContact CG-CE2 4Å |
| 194 | Q | 93.7 | Very high | 92.6 | Very high | 33 Ų | 33 | 33.5 Ų | 33.5 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 129.9 | 178.8 | 174.7 | 60.3 | 45.9 | 0 | 0 | 109.4 | M150 S153 A197 V200 F236 | M150-Q194 HydrophobicContact CE-CB 4.35Å; M150-Q194 HydrophobicContact SD-CB 4.25Å; S153-Q194 PolarHBondContact OG-NE2 3.47Å; Q194-A197 PolarHBondContact NE2-O 2.96Å; Q194-V200 PolarHBondContact NE2-O 3.43Å; Q194-V200 VanDerWaalsContact NE2-O 3.16Å; Q194-F236 WeakPolarHBondContact O-CD2 3.5Å |
| 195 | S | 93.8 | Very high | 93.1 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | trans | -80 | 160.7 | 172.1 | 84.5 | 0 | 0 | 0 | 0 | 110.8 | Q193 A197 V200 | Q193-S195 PolarHBondContact O-N 3.32Å; S195-A197 PolarHBondContact O-N 3.33Å; S195-A197 PolarHBondContact OG-N 2.97Å; S195-A197 PolarHBondContact OG-O 2.97Å; S195-V200 WeakPolarHBondContact CB-O 3.42Å; S195-V200 PolarHBondContact N-O 3.02Å; S195-V200 VanDerWaalsContact OG-CB 3.28Å; S195-V200 WeakPolarHBondContact OG-CB 3.5Å; S195-V200 WeakPolarHBondContact OG-CG1 3.32Å; S195-V200 PolarHBondContact OG-O 3.05Å | ||
| 196 | P | 91.3 | Very high | 93.4 | Very high | 83 Ų | 83 | 31.4 Ų | 31.4 | 54% | 0.539 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -65.1 | -20.5 | 174.2 | -18.3 | 32.1 | 0 | 0 | 0 | 112.8 | F236 R237 T238 | P196-F236 HydrophobicContact CG-CB 4Å; P196-R237 WeakPolarHBondContact CG-O 3.34Å; P196-T238 HydrophobicContact CB-CG2 4.48Å; P196-T238 HydrophobicContact CG-CG2 4Å |
| 197 | A | 91 | Very high | 93.7 | Very high | 50 Ų | 50 | 29.8 Ų | 29.8 | 41% | 0.413 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -77.2 | 142.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q194 S195 V200 | Q194-A197 PolarHBondContact NE2-O 2.96Å; S195-A197 PolarHBondContact O-N 3.33Å; S195-A197 PolarHBondContact OG-N 2.97Å; S195-A197 PolarHBondContact OG-O 2.97Å; A197-V200 HydrophobicContact CB-CB 4.09Å; A197-V200 HydrophobicContact CB-CG2 4.22Å |
| 198 | V | 91.3 | Very high | 93.8 | Very high | 86 Ų | 86 | 29.2 Ų | 29.2 | 52% | 0.521 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 142.9 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | T154 V200 | T154-V198 HydrophobicContact CG2-CG1 4.32Å; V198-V200 PolarHBondContact O-N 2.88Å |
| 199 | D | 91.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -4.6 | -179.8 | -58.4 | -42.1 | 0 | 0 | 0 | 116.2 | Y155 I215 R216 | Y155-D199 WeakPolarHBondContact CE2-OD1 3.27Å; Y155-D199 VanDerWaalsContact CZ-OD1 3.27Å; Y155-D199 PolarHBondContact OH-OD1 3.04Å; D199-I215 PolarHBondContact O-N 3.1Å; D199-R216 HydrophobicContact CB-CB 3.99Å; D199-R216 WeakPolarHBondContact OD2-CD 3.4Å |
| 200 | V | 94.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.4 | -173.7 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | Q194 S195 A197 V198 I212 H213 N214 L221 | Q194-V200 PolarHBondContact NE2-O 3.43Å; Q194-V200 VanDerWaalsContact NE2-O 3.16Å; S195-V200 WeakPolarHBondContact CB-O 3.42Å; S195-V200 PolarHBondContact N-O 3.02Å; S195-V200 VanDerWaalsContact OG-CB 3.28Å; S195-V200 WeakPolarHBondContact OG-CB 3.5Å; S195-V200 WeakPolarHBondContact OG-CG1 3.32Å; S195-V200 PolarHBondContact OG-O 3.05Å; A197-V200 HydrophobicContact CB-CB 4.09Å; A197-V200 HydrophobicContact CB-CG2 4.22Å; V198-V200 PolarHBondContact O-N 2.88Å; V200-I212 HydrophobicContact CG1-CG2 3.35Å; V200-H213 WeakPolarHBondContact CA-O 3.31Å; V200-N214 HydrophobicContact CG2-CB 4.43Å; V200-L221 HydrophobicContact CG1-CD1 4Å; V200-L221 HydrophobicContact CG2-CD1 3.62Å |
| 201 | V | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.1 | -178.2 | 161.5 | 0 | 0 | 0 | 0 | 111.3 | M150 L160 L192 V203 I212 H213 I215 | M150-V201 HydrophobicContact CE-CB 4.11Å; M150-V201 HydrophobicContact CE-CG1 3.32Å; M150-V201 HydrophobicContact CE-CG2 3.69Å; M150-V201 HydrophobicContact SD-CG1 4.24Å; M150-V201 HydrophobicContact SD-CG2 3.68Å; L160-V201 HydrophobicContact CD2-CG1 4.24Å; L192-V201 HydrophobicContact CD2-CG1 4.21Å; V201-V203 HydrophobicContact CG1-CG2 4.18Å; V201-I212 WeakPolarHBondContact O-CA 3.25Å; V201-H213 PolarHBondContact N-O 3.49Å; V201-H213 PolarHBondContact O-N 2.65Å; V201-I215 HydrophobicContact CB-CD1 3.76Å; V201-I215 HydrophobicContact CB-CG1 4.25Å; V201-I215 HydrophobicContact CG2-CD1 3.28Å; V201-I215 HydrophobicContact CG2-CG1 4.2Å |
| 202 | G | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q193 I211 | Q193-G202 PolarHBondContact N-O 3.32Å; Q193-G202 PolarHBondContact O-N 3.41Å; G202-I211 CarbonylContact C-O 3.52Å; G202-I211 WeakPolarHBondContact CA-O 3.28Å |
| 203 | V | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122 | 176.3 | -172.2 | 0 | 0 | 0 | 0 | 108.7 | L168 W185 V189 L192 V201 I210 I211 | L168-V203 HydrophobicContact CD1-CG2 4.14Å; W185-V203 HydrophobicContact CE3-CG1 4.3Å; W185-V203 HydrophobicContact CH2-CB 4.26Å; W185-V203 HydrophobicContact CH2-CG1 4.46Å; W185-V203 HydrophobicContact CH2-CG2 3.77Å; W185-V203 HydrophobicContact CZ3-CB 3.98Å; W185-V203 HydrophobicContact CZ3-CG1 3.71Å; W185-V203 HydrophobicContact CZ3-CG2 3.84Å; V189-V203 HydrophobicContact CB-CG1 4.44Å; V189-V203 HydrophobicContact CG1-CG1 3.79Å; V189-V203 HydrophobicContact CG2-CG1 3.94Å; L192-V203 HydrophobicContact CD2-CB 4.24Å; L192-V203 HydrophobicContact CD2-CG1 4.02Å; L192-V203 HydrophobicContact CD2-CG2 3.76Å; V201-V203 HydrophobicContact CG1-CG2 4.18Å; V203-I210 CarbonylContact O-C 3.58Å; V203-I210 WeakPolarHBondContact O-CA 3.47Å; V203-I211 HydrophobicContact CB-CB 4.39Å; V203-I211 PolarHBondContact N-O 3.32Å; V203-I211 PolarHBondContact O-N 2.85Å |
| 204 | G | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 137.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T190 V191 | T190-G204 PolarHBondContact N-O 3.12Å; T190-G204 PolarHBondContact OG1-O 3.43Å; V191-G204 PolarHBondContact N-O 3.25Å; V191-G204 PolarHBondContact O-N 3.32Å |
| 205 | T | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 159 | 179.7 | 62.5 | 0 | 0 | 0 | 0 | 112.3 | A187 A188 T207 G208 H209 I211 I231 | A187-T205 HydrophobicContact CB-CG2 4.16Å; A188-T205 CarbonylContact O-C 3.43Å; A188-T205 VanDerWaalsContact O-CA 3.26Å; A188-T205 WeakPolarHBondContact O-CA 3.39Å; T205-T207 PolarHBondContact O-N 2.93Å; T205-T207 PolarHBondContact OG1-OG1 3.44Å; T205-G208 PolarHBondContact O-N 2.83Å; T205-H209 PolarHBondContact N-O 3.41Å; T205-H209 WeakPolarHBondContact OG1-CA 3.34Å; T205-H209 WeakPolarHBondContact OG1-CB 3.44Å; T205-H209 PolarHBondContact OG1-N 2.86Å; T205-H209 PolarHBondContact OG1-O 3.35Å; T205-I211 HydrophobicContact CG2-CD1 4.16Å; T205-I231 PolarHBondContact O-N 2.91Å |
| 206 | A | 93.4 | Very high | 93.8 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 34% | 0.339 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A188 T190 G208 P230 | A188-A206 HydrophobicContact CB-CB 3.86Å; A188-A206 PolarHBondContact O-N 3.41Å; T190-A206 HydrophobicContact CG2-CB 3.89Å; A206-G208 VanDerWaalsContact C-N 3.28Å; A206-G208 PolarHBondContact O-N 3.46Å; A206-P230 HydrophobicContact CB-CB 4.39Å; A206-P230 VanDerWaalsContact O-CA 3.28Å; A206-P230 WeakPolarHBondContact O-CA 3.38Å; A206-P230 VanDerWaalsContact O-CB 3.28Å; A206-P230 WeakPolarHBondContact O-CB 3.24Å |
| 207 | T | 92 | Very high | 93.8 | Very high | 86 Ų | 86 | 34.8 Ų | 34.8 | 53% | 0.528 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.3 | 176 | 43.2 | 0 | 0 | 0 | 0 | 113.3 | A187 T205 H209 | A187-T207 HydrophobicContact CB-CG2 4.08Å; T205-T207 PolarHBondContact O-N 2.93Å; T205-T207 PolarHBondContact OG1-OG1 3.44Å; T207-H209 PolarHBondContact OG1-CD2 3.19Å; T207-H209 VanDerWaalsContact OG1-CD2 3.31Å |
| 208 | G | 92.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 89.2 | 9.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T205 A206 Q226 G229 | T205-G208 PolarHBondContact O-N 2.83Å; A206-G208 VanDerWaalsContact C-N 3.28Å; A206-G208 PolarHBondContact O-N 3.46Å; G208-Q226 PolarHBondContact O-N 2.84Å; G208-G229 WeakPolarHBondContact CA-O 3.29Å |
| 209 | H | 94.4 | Very high | 93.9 | Very high | 85 Ų | 85 | 36.3 Ų | 36.3 | 39% | 0.394 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 128.2 | 172.5 | -63.8 | -71.7 | 0 | 0 | 0 | 110.9 | T205 T207 I211 F224 T225 I231 | T205-H209 PolarHBondContact N-O 3.41Å; T205-H209 WeakPolarHBondContact OG1-CA 3.34Å; T205-H209 WeakPolarHBondContact OG1-CB 3.44Å; T205-H209 PolarHBondContact OG1-N 2.86Å; T205-H209 PolarHBondContact OG1-O 3.35Å; T207-H209 PolarHBondContact OG1-CD2 3.19Å; T207-H209 VanDerWaalsContact OG1-CD2 3.31Å; H209-I211 HydrophobicContact CB-CG1 4.45Å; H209-F224 CarbonylContact C-O 3.52Å; H209-F224 WeakPolarHBondContact CA-O 3.37Å; H209-T225 WeakPolarHBondContact ND1-CG2 3.17Å; H209-I231 WeakPolarHBondContact O-CD1 3.15Å |
| 210 | I | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.1 | 171.2 | -48.9 | 167.4 | 0 | 0 | 0 | 107.3 | V203 I212 S223 F224 I231 L234 M244 W256 | V203-I210 CarbonylContact O-C 3.58Å; V203-I210 WeakPolarHBondContact O-CA 3.47Å; I210-I212 HydrophobicContact CG2-CD1 4.5Å; I210-S223 CarbonylContact O-C 3.59Å; I210-S223 VanDerWaalsContact O-CA 3.29Å; I210-S223 WeakPolarHBondContact O-CA 3.47Å; I210-F224 HydrophobicContact CB-CB 4.18Å; I210-F224 HydrophobicContact CD1-CB 4.33Å; I210-F224 PolarHBondContact N-O 2.93Å; I210-F224 PolarHBondContact O-N 3.07Å; I210-I231 HydrophobicContact CB-CD1 4.19Å; I210-I231 HydrophobicContact CD1-CD1 4.48Å; I210-I231 HydrophobicContact CG1-CD1 3.32Å; I210-I231 HydrophobicContact CG1-CG1 3.93Å; I210-L234 HydrophobicContact CD1-CD2 4.04Å; I210-L234 HydrophobicContact CG1-CD2 4.12Å; I210-L234 HydrophobicContact CG2-CD1 3.9Å; I210-L234 HydrophobicContact CG2-CD2 3.78Å; I210-M244 HydrophobicContact CB-CE 4.33Å; I210-M244 HydrophobicContact CD1-CE 3.74Å; I210-M244 HydrophobicContact CG2-CE 3.69Å; I210-M244 HydrophobicContact CG2-SD 3.73Å; I210-W256 HydrophobicContact CD1-CZ2 4.41Å |
| 211 | I | 95 | Very high | 93.8 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.9 | -174.2 | -53.1 | 174 | 0 | 0 | 0 | 108.2 | W185 G202 V203 T205 H209 T220 | W185-I211 HydrophobicContact CB-CD1 3.8Å; W185-I211 HydrophobicContact CD2-CD1 3.25Å; W185-I211 HydrophobicContact CD2-CG1 4.5Å; W185-I211 HydrophobicContact CD2-CG2 4.39Å; W185-I211 HydrophobicContact CE3-CD1 3.77Å; W185-I211 HydrophobicContact CG-CD1 3.25Å; W185-I211 HydrophobicContact CH2-CG2 4.25Å; W185-I211 HydrophobicContact CZ2-CB 4.38Å; W185-I211 HydrophobicContact CZ2-CD1 4.41Å; W185-I211 HydrophobicContact CZ2-CG2 3.58Å; G202-I211 CarbonylContact C-O 3.52Å; G202-I211 WeakPolarHBondContact CA-O 3.28Å; V203-I211 HydrophobicContact CB-CB 4.39Å; V203-I211 PolarHBondContact N-O 3.32Å; V203-I211 PolarHBondContact O-N 2.85Å; T205-I211 HydrophobicContact CG2-CD1 4.16Å; H209-I211 HydrophobicContact CB-CG1 4.45Å; I211-T220 HydrophobicContact CG2-CG2 3.78Å |
| 212 | I | 95.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 111.7 | 174.5 | -53.9 | -57.4 | 0 | 0 | 0 | 107.1 | V200 V201 I210 L221 M222 F224 F236 M244 | V200-I212 HydrophobicContact CG1-CG2 3.35Å; V201-I212 WeakPolarHBondContact O-CA 3.25Å; I210-I212 HydrophobicContact CG2-CD1 4.5Å; I212-L221 HydrophobicContact CG2-CB 4.49Å; I212-L221 HydrophobicContact CG2-CD1 4.5Å; I212-L221 PolarHBondContact O-N 3.45Å; I212-M222 HydrophobicContact CB-CG 3.44Å; I212-M222 VanDerWaalsContact CB-CG 3.44Å; I212-M222 HydrophobicContact CB-SD 4.32Å; I212-M222 HydrophobicContact CG1-CG 3.44Å; I212-M222 VanDerWaalsContact CG1-CG 3.44Å; I212-M222 HydrophobicContact CG1-SD 3.94Å; I212-M222 HydrophobicContact CG2-CG 4.12Å; I212-M222 PolarHBondContact N-O 3.36Å; I212-M222 PolarHBondContact O-N 2.82Å; I212-F224 HydrophobicContact CG1-CE2 4.27Å; I212-F236 HydrophobicContact CD1-CE1 3.88Å; I212-F236 HydrophobicContact CD1-CZ 3.64Å; I212-M244 HydrophobicContact CD1-SD 3.94Å |
| 213 | H | 94.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.9 | -169.5 | -164 | 63.2 | 0 | 0 | 0 | 111.5 | W185 V200 V201 D218 E219 T220 | W185-H213 HydrophobicContact CH2-CB 4.08Å; W185-H213 HydrophobicContact CZ2-CB 4.05Å; W185-H213 AromaticContact CZ2-CG 3.78Å; W185-H213 AromaticContact CZ2-ND1 3.67Å; V200-H213 WeakPolarHBondContact CA-O 3.31Å; V201-H213 PolarHBondContact N-O 3.49Å; V201-H213 PolarHBondContact O-N 2.65Å; H213-D218 IonicContact CE1-OD1 3.56Å; H213-D218 PolarHBondContact CE1-OD1 3.32Å; H213-D218 VanDerWaalsContact CE1-OD1 3.24Å; H213-D218 IonicContact NE2-OD1 3.11Å; H213-D218 PolarHBondContact NE2-OD1 3.3Å; H213-E219 VanDerWaalsContact CE1-C 3.4Å; H213-E219 PolarHBondContact CE1-N 3.1Å; H213-E219 VanDerWaalsContact CE1-N 3.34Å; H213-E219 PolarHBondContact ND1-O 3.09Å; H213-T220 WeakPolarHBondContact ND1-CG2 3.33Å; H213-T220 PolarHBondContact ND1-N 3.09Å |
| 214 | N | 94.8 | Very high | 93.5 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 112.2 | 169.9 | -172.9 | -34.8 | 0 | 0 | 0 | 109.5 | V200 R216 L217 D218 E219 L221 | V200-N214 HydrophobicContact CG2-CB 4.43Å; N214-R216 VanDerWaalsContact C-N 3.32Å; N214-R216 PolarHBondContact O-N 3.45Å; N214-R216 PolarHBondContact OD1-N 3.11Å; N214-L217 PolarHBondContact OD1-N 3.42Å; N214-D218 VanDerWaalsContact O-CA 3.31Å; N214-D218 WeakPolarHBondContact O-CA 3.39Å; N214-D218 PolarHBondContact O-N 2.9Å; N214-E219 PolarHBondContact N-O 3.07Å; N214-E219 PolarHBondContact O-N 2.69Å; N214-L221 HydrophobicContact CB-CD1 4.35Å; N214-L221 HydrophobicContact CB-CD2 4.41Å; N214-L221 HydrophobicContact CB-CG 4.28Å |
| 215 | I | 93.2 | Very high | 93.4 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.051 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -29.1 | -174.5 | -62.5 | 179.7 | 0 | 0 | 0 | 111.9 | P152 L160 L170 F182 D199 V201 | P152-I215 HydrophobicContact CG-CD1 4.35Å; L160-I215 HydrophobicContact CD2-CD1 3.67Å; L170-I215 HydrophobicContact CD2-CG2 4.5Å; F182-I215 HydrophobicContact CE1-CG2 4.23Å; F182-I215 WeakPolarHBondContact CE1-O 3.16Å; F182-I215 HydrophobicContact CE2-CG2 4.07Å; F182-I215 HydrophobicContact CZ-CB 4.33Å; F182-I215 HydrophobicContact CZ-CG2 3.43Å; F182-I215 VanDerWaalsContact CZ-CG2 3.43Å; F182-I215 WeakPolarHBondContact CZ-O 3.36Å; D199-I215 PolarHBondContact O-N 3.1Å; V201-I215 HydrophobicContact CB-CD1 3.76Å; V201-I215 HydrophobicContact CB-CG1 4.25Å; V201-I215 HydrophobicContact CG2-CD1 3.28Å; V201-I215 HydrophobicContact CG2-CG1 4.2Å |
| 216 | R | 92 | Very high | 93.2 | Very high | 186 Ų | 186 | 53.2 Ų | 53.2 | 70% | 0.702 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -39.2 | -177 | -177.6 | 175.7 | -179.2 | 179.3 | 0.1 | 112.3 | D199 N214 | D199-R216 HydrophobicContact CB-CB 3.99Å; D199-R216 WeakPolarHBondContact OD2-CD 3.4Å; N214-R216 VanDerWaalsContact C-N 3.32Å; N214-R216 PolarHBondContact O-N 3.45Å; N214-R216 PolarHBondContact OD1-N 3.11Å |
| 217 | L | 91.1 | Very high | 92.9 | Very high | 104 Ų | 104 | 58.4 Ų | 58.4 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -14.1 | -178.8 | -61.3 | 178 | 0 | 0 | 0 | 112.9 | N214 E219 | N214-L217 PolarHBondContact OD1-N 3.42Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-E219 HydrophobicContact CB-CB 4.32Å; L217-E219 HydrophobicContact CB-CG 4.07Å |
| 218 | D | 91.3 | Very high | 92.8 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 44.4 | -169.3 | -163.5 | 15.4 | 0 | 0 | 0 | 112.8 | F180 F182 H213 N214 | F180-D218 HydrophobicContact CE1-CB 4.47Å; F182-D218 HydrophobicContact CD1-CB 4.27Å; F182-D218 VanDerWaalsContact CD1-OD1 3.25Å; F182-D218 WeakPolarHBondContact CD1-OD1 3.22Å; F182-D218 HydrophobicContact CE1-CB 4.23Å; H213-D218 IonicContact CE1-OD1 3.56Å; H213-D218 PolarHBondContact CE1-OD1 3.32Å; H213-D218 VanDerWaalsContact CE1-OD1 3.24Å; H213-D218 IonicContact NE2-OD1 3.11Å; H213-D218 PolarHBondContact NE2-OD1 3.3Å; N214-D218 VanDerWaalsContact O-CA 3.31Å; N214-D218 WeakPolarHBondContact O-CA 3.39Å; N214-D218 PolarHBondContact O-N 2.9Å |
| 219 | E | 92.5 | Very high | 92.6 | Very high | 113 Ų | 113 | 57.1 Ų | 57.1 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.4 | -177.7 | -70.4 | -177.4 | 170.1 | 0 | 0 | 112 | H213 N214 L217 L221 | H213-E219 VanDerWaalsContact CE1-C 3.4Å; H213-E219 PolarHBondContact CE1-N 3.1Å; H213-E219 VanDerWaalsContact CE1-N 3.34Å; H213-E219 PolarHBondContact ND1-O 3.09Å; N214-E219 PolarHBondContact N-O 3.07Å; N214-E219 PolarHBondContact O-N 2.69Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-E219 HydrophobicContact CB-CB 4.32Å; L217-E219 HydrophobicContact CB-CG 4.07Å; E219-L221 PolarHBondContact O-N 3.24Å |
| 220 | T | 92.9 | Very high | 92.5 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 114.2 | 172.6 | 54 | 0 | 0 | 0 | 0 | 109.8 | W185 I211 H213 | W185-T220 HydrophobicContact CZ2-CG2 3.86Å; W185-T220 VanDerWaalsContact NE1-CG2 3.27Å; I211-T220 HydrophobicContact CG2-CG2 3.78Å; H213-T220 WeakPolarHBondContact ND1-CG2 3.33Å; H213-T220 PolarHBondContact ND1-N 3.09Å |
| 221 | L | 92.8 | Very high | 92.5 | Very high | 84 Ų | 84 | 55.7 Ų | 55.7 | 44% | 0.44 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -42.7 | -178.3 | -61.6 | 178.6 | 0 | 0 | 0 | 112.2 | V200 I212 N214 E219 | V200-L221 HydrophobicContact CG1-CD1 4Å; V200-L221 HydrophobicContact CG2-CD1 3.62Å; I212-L221 HydrophobicContact CG2-CB 4.49Å; I212-L221 HydrophobicContact CG2-CD1 4.5Å; I212-L221 PolarHBondContact O-N 3.45Å; N214-L221 HydrophobicContact CB-CD1 4.35Å; N214-L221 HydrophobicContact CB-CD2 4.41Å; N214-L221 HydrophobicContact CB-CG 4.28Å; E219-L221 PolarHBondContact O-N 3.24Å |
| 222 | M | 92.6 | Very high | 92.4 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 20% | 0.202 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 156.1 | -179.4 | 57.1 | -175.5 | 82.5 | 0 | 0 | 111 | I212 F224 L258 | I212-M222 HydrophobicContact CB-CG 3.44Å; I212-M222 VanDerWaalsContact CB-CG 3.44Å; I212-M222 HydrophobicContact CB-SD 4.32Å; I212-M222 HydrophobicContact CG1-CG 3.44Å; I212-M222 VanDerWaalsContact CG1-CG 3.44Å; I212-M222 HydrophobicContact CG1-SD 3.94Å; I212-M222 HydrophobicContact CG2-CG 4.12Å; I212-M222 PolarHBondContact N-O 3.36Å; I212-M222 PolarHBondContact O-N 2.82Å; M222-F224 HydrophobicContact CB-CE2 4.38Å; M222-F224 HydrophobicContact CG-CE2 3.84Å; M222-F224 HydrophobicContact CG-CZ 4.27Å; M222-F224 HydrophobicContact SD-CE2 3.61Å; M222-F224 HydrophobicContact SD-CZ 3.69Å; M222-L258 HydrophobicContact CE-CB 4.42Å; M222-L258 HydrophobicContact SD-CB 4.06Å; M222-L258 HydrophobicContact SD-CD2 3.74Å; M222-L258 HydrophobicContact SD-CG 4.45Å |
| 223 | S | 92.9 | Very high | 92.4 | Very high | 87 Ų | 87 | 57.4 Ų | 57.4 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 142.6 | 176 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | I210 | I210-S223 CarbonylContact O-C 3.59Å; I210-S223 VanDerWaalsContact O-CA 3.29Å; I210-S223 WeakPolarHBondContact O-CA 3.47Å |
| 224 | F | 94.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 155.2 | 176.6 | -54.8 | -84.5 | 0 | 0 | 0 | 109.9 | H209 I210 I212 M222 M244 W256 L258 Q261 | H209-F224 CarbonylContact C-O 3.52Å; H209-F224 WeakPolarHBondContact CA-O 3.37Å; I210-F224 HydrophobicContact CB-CB 4.18Å; I210-F224 HydrophobicContact CD1-CB 4.33Å; I210-F224 PolarHBondContact N-O 2.93Å; I210-F224 PolarHBondContact O-N 3.07Å; I212-F224 HydrophobicContact CG1-CE2 4.27Å; M222-F224 HydrophobicContact CB-CE2 4.38Å; M222-F224 HydrophobicContact CG-CE2 3.84Å; M222-F224 HydrophobicContact CG-CZ 4.27Å; M222-F224 HydrophobicContact SD-CE2 3.61Å; M222-F224 HydrophobicContact SD-CZ 3.69Å; F224-M244 HydrophobicContact CD2-CE 3.77Å; F224-M244 HydrophobicContact CE2-CE 4.1Å; F224-M244 HydrophobicContact CG-CE 4.42Å; F224-W256 HydrophobicContact CB-CD2 4.39Å; F224-W256 HydrophobicContact CB-CE3 4.19Å; F224-W256 HydrophobicContact CB-CZ3 4.27Å; F224-W256 HydrophobicContact CD1-CD2 4.33Å; F224-W256 AromaticContact CD1-CE3 3.73Å; F224-W256 HydrophobicContact CD1-CE3 3.73Å; F224-W256 HydrophobicContact CD1-CZ3 4.25Å; F224-W256 HydrophobicContact CE1-CE3 4.46Å; F224-W256 HydrophobicContact CG-CD2 4.42Å; F224-W256 HydrophobicContact CG-CE3 4.18Å; F224-L258 HydrophobicContact CE2-CD2 3.6Å; F224-L258 HydrophobicContact CZ-CD2 3.81Å; F224-Q261 HydrophobicContact CE1-CB 4.32Å |
| 225 | T | 93.2 | Very high | 92.5 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.8 | -178.2 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | H209 W256 | H209-T225 WeakPolarHBondContact ND1-CG2 3.17Å; T225-W256 WeakPolarHBondContact O-CH2 3.4Å |
| 226 | Q | 89.9 | Confident | 92.5 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | trans | -113.5 | 124 | 176.7 | -178.4 | -175.7 | -57.1 | 0 | 0 | 110.4 | G208 W228 S246 G247 S248 W256 | G208-Q226 PolarHBondContact O-N 2.84Å; Q226-W228 HydrophobicContact CG-CB 4.25Å; Q226-W228 HydrophobicContact CG-CD2 4.24Å; Q226-W228 HydrophobicContact CG-CE3 3.91Å; Q226-W228 HydrophobicContact CG-CG 4.41Å; Q226-W228 PolarHBondContact O-N 3.46Å; Q226-S246 PolarHBondContact OE1-OG 2.82Å; Q226-G247 PolarHBondContact NE2-O 3.43Å; Q226-S248 VanDerWaalsContact NE2-CB 3.27Å; Q226-W256 HydrophobicContact CB-CZ2 4.34Å | ||
| 227 | D | 88.6 | Confident | 92.6 | Very high | 149 Ų | 149 | 48.5 Ų | 48.5 | 80% | 0.797 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -3.3 | -175.2 | -55.3 | -33.5 | 0 | 0 | 0 | 114.4 | G229 | D227-G229 VanDerWaalsContact C-N 3.29Å; D227-G229 PolarHBondContact O-N 3.48Å |
| 228 | W | 88.4 | Confident | 92.6 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 22.1 | -172.5 | -52.2 | -35.8 | 0 | 0 | 0 | 114.3 | Q226 Q250 H252 A254 Q266 | Q226-W228 HydrophobicContact CG-CB 4.25Å; Q226-W228 HydrophobicContact CG-CD2 4.24Å; Q226-W228 HydrophobicContact CG-CE3 3.91Å; Q226-W228 HydrophobicContact CG-CG 4.41Å; Q226-W228 PolarHBondContact O-N 3.46Å; W228-Q250 PolarHBondContact O-NE2 3.17Å; W228-H252 HydrophobicContact CD2-CB 3.98Å; W228-H252 AromaticContact CD2-CD2 3.83Å; W228-H252 AromaticContact CE2-CD2 3.83Å; W228-H252 HydrophobicContact CE3-CB 3.48Å; W228-H252 VanDerWaalsContact CE3-CB 3.48Å; W228-H252 HydrophobicContact CH2-CB 4.01Å; W228-H252 HydrophobicContact CZ2-CB 4.47Å; W228-H252 HydrophobicContact CZ3-CB 3.49Å; W228-H252 VanDerWaalsContact CZ3-CB 3.49Å; W228-A254 HydrophobicContact CH2-CB 4.23Å; W228-A254 HydrophobicContact CZ3-CB 3.76Å; W228-Q266 HydrophobicContact CH2-CB 3.81Å; W228-Q266 HydrophobicContact CH2-CG 3.66Å; W228-Q266 HydrophobicContact CZ2-CB 4.29Å; W228-Q266 VanDerWaalsContact CZ2-CD 3.45Å; W228-Q266 HydrophobicContact CZ2-CG 4.04Å |
| 229 | G | 88.9 | Confident | 92.5 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 90 | -158.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G208 D227 | G208-G229 WeakPolarHBondContact CA-O 3.29Å; D227-G229 VanDerWaalsContact C-N 3.29Å; D227-G229 PolarHBondContact O-N 3.48Å |
| 230 | P | 92.9 | Very high | 92.1 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -60.5 | 148.8 | -174.5 | 23.9 | -33.5 | 0 | 0 | 0 | 111.5 | A206 S232 P249 | A206-P230 HydrophobicContact CB-CB 4.39Å; A206-P230 VanDerWaalsContact O-CA 3.28Å; A206-P230 WeakPolarHBondContact O-CA 3.38Å; A206-P230 VanDerWaalsContact O-CB 3.28Å; A206-P230 WeakPolarHBondContact O-CB 3.24Å; P230-S232 PolarHBondContact O-N 2.84Å; P230-P249 HydrophobicContact CG-CG 3.65Å; P230-P249 WeakPolarHBondContact O-CD 3.4Å |
| 231 | I | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -77.5 | 118.5 | 176.2 | -65.9 | 142.1 | 0 | 0 | 0 | 108.8 | T190 V191 T205 H209 I210 L234 | T190-I231 WeakPolarHBondContact CB-O 3.37Å; T190-I231 PolarHBondContact OG1-O 2.88Å; V191-I231 HydrophobicContact CG1-CG2 3.79Å; T205-I231 PolarHBondContact O-N 2.91Å; H209-I231 WeakPolarHBondContact O-CD1 3.15Å; I210-I231 HydrophobicContact CB-CD1 4.19Å; I210-I231 HydrophobicContact CD1-CD1 4.48Å; I210-I231 HydrophobicContact CG1-CD1 3.32Å; I210-I231 HydrophobicContact CG1-CG1 3.93Å; I231-L234 HydrophobicContact CG2-CD1 4.44Å; I231-L234 HydrophobicContact CG2-CD2 3.83Å; I231-L234 HydrophobicContact CG2-CG 3.79Å | ||
| 232 | S | 93.4 | Very high | 91.8 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | trans | -83.7 | -32.2 | -179.6 | 65.4 | 0 | 0 | 0 | 0 | 113 | P230 G247 S248 V275 | P230-S232 PolarHBondContact O-N 2.84Å; S232-G247 PolarHBondContact N-O 3.43Å; S232-G247 VanDerWaalsContact OG-C 3.27Å; S232-G247 PolarHBondContact OG-O 2.63Å; S232-S248 PolarHBondContact OG-N 3.18Å; S232-V275 VanDerWaalsContact CB-O 3.29Å; S232-V275 WeakPolarHBondContact CB-O 3.49Å; S232-V275 PolarHBondContact OG-O 3.34Å | ||
| 233 | T | 94.6 | Very high | 91.7 | Very high | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 150.4 | -176.6 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | S246 G247 V275 A278 | T233-S246 WeakPolarHBondContact O-CA 3.35Å; T233-G247 PolarHBondContact O-N 3.34Å; T233-V275 HydrophobicContact CG2-CG1 4.04Å; T233-A278 HydrophobicContact CG2-CB 3.54Å; T233-A278 PolarHBondContact OG1-N 2.96Å; T233-A278 PolarHBondContact OG1-O 2.94Å |
| 234 | L | 95.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142 | 173.1 | -71.9 | 174.9 | 0 | 0 | 0 | 109.9 | V191 Q193 I210 I231 M244 A245 | V191-L234 HydrophobicContact CG1-CB 4.3Å; V191-L234 HydrophobicContact CG1-CD1 3.8Å; V191-L234 HydrophobicContact CG1-CG 3.75Å; Q193-L234 HydrophobicContact CB-CB 4.02Å; Q193-L234 WeakPolarHBondContact CG-O 3.5Å; I210-L234 HydrophobicContact CD1-CD2 4.04Å; I210-L234 HydrophobicContact CG1-CD2 4.12Å; I210-L234 HydrophobicContact CG2-CD1 3.9Å; I210-L234 HydrophobicContact CG2-CD2 3.78Å; I231-L234 HydrophobicContact CG2-CD1 4.44Å; I231-L234 HydrophobicContact CG2-CD2 3.83Å; I231-L234 HydrophobicContact CG2-CG 3.79Å; L234-M244 HydrophobicContact CD2-SD 4.15Å; L234-A245 WeakPolarHBondContact CA-O 3.34Å |
| 235 | A | 95.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 138.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M244 A245 A278 F280 L287 | A235-M244 CarbonylContact O-C 3.56Å; A235-M244 WeakPolarHBondContact O-CA 3.35Å; A235-A245 HydrophobicContact CB-CB 4.42Å; A235-A245 PolarHBondContact N-O 3.01Å; A235-A245 PolarHBondContact O-N 2.92Å; A235-A278 WeakPolarHBondContact CB-O 3.45Å; A235-F280 HydrophobicContact CB-CD2 3.58Å; A235-F280 HydrophobicContact CB-CE2 4.05Å; A235-L287 HydrophobicContact CB-CD1 4.27Å |
| 236 | F | 94.6 | Very high | 91.8 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138 | 174.4 | -64.6 | -84.3 | 0 | 0 | 0 | 111.1 | Q193 Q194 P196 I212 M244 L258 F280 | Q193-F236 HydrophobicContact CB-CD2 4.42Å; Q193-F236 HydrophobicContact CB-CE2 4.11Å; Q193-F236 HydrophobicContact CG-CD2 3.8Å; Q193-F236 HydrophobicContact CG-CE2 4Å; Q194-F236 WeakPolarHBondContact O-CD2 3.5Å; P196-F236 HydrophobicContact CG-CB 4Å; I212-F236 HydrophobicContact CD1-CE1 3.88Å; I212-F236 HydrophobicContact CD1-CZ 3.64Å; F236-M244 HydrophobicContact CD1-CB 4.1Å; F236-M244 HydrophobicContact CD1-CG 4.17Å; F236-M244 HydrophobicContact CE1-CB 4.1Å; F236-M244 HydrophobicContact CE1-CG 3.91Å; F236-M244 HydrophobicContact CE1-SD 3.84Å; F236-M244 HydrophobicContact CZ-CG 4.38Å; F236-M244 HydrophobicContact CZ-SD 4.03Å; F236-L258 HydrophobicContact CD1-CD1 3.96Å; F236-L258 HydrophobicContact CE1-CD1 3.91Å; F236-F280 VanDerWaalsContact C-CD2 3.41Å; F236-F280 WeakPolarHBondContact O-CB 3.46Å; F236-F280 WeakPolarHBondContact O-CD2 3.41Å |
| 237 | R | 92.9 | Very high | 92.1 | Very high | 20 Ų | 20 | 29.1 Ų | 29.1 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | trans | -77.3 | 144.9 | 174.7 | -153.2 | -172 | 165.7 | 169.9 | -10.9 | 109.9 | P196 D239 I243 F280 P285 | P196-R237 WeakPolarHBondContact CG-O 3.34Å; R237-D239 WeakPolarHBondContact CD-OD1 3.41Å; R237-D239 WeakPolarHBondContact CG-OD1 3.45Å; R237-D239 IonicContact CZ-OD1 3.73Å; R237-D239 IonicContact CZ-OD2 2.69Å; R237-D239 VanDerWaalsContact CZ-OD2 3.23Å; R237-D239 IonicContact NE-OD1 3.23Å; R237-D239 PolarHBondContact NE-OD1 3.46Å; R237-D239 IonicContact NE-OD2 2.83Å; R237-D239 PolarHBondContact NE-OD2 2.88Å; R237-D239 IonicContact NH2-OD1 2.69Å; R237-D239 IonicContact NH2-OD2 2.95Å; R237-D239 PolarHBondContact NH2-OD2 3.22Å; R237-I243 HydrophobicContact CB-CB 4.24Å; R237-I243 VanDerWaalsContact CB-O 3.3Å; R237-I243 WeakPolarHBondContact CB-O 3.36Å; R237-I243 PolarHBondContact N-O 2.97Å; R237-F280 HydrophobicContact CB-CD1 4.3Å; R237-F280 HydrophobicContact CB-CD2 4.26Å; R237-F280 HydrophobicContact CB-CE1 4.25Å; R237-F280 HydrophobicContact CB-CE2 4.23Å; R237-F280 HydrophobicContact CB-CG 4.3Å; R237-F280 HydrophobicContact CB-CZ 4.23Å; R237-F280 HydrophobicContact CG-CD1 3.87Å; R237-F280 HydrophobicContact CG-CE1 3.85Å; R237-F280 HydrophobicContact CG-CG 4.31Å; R237-F280 HydrophobicContact CG-CZ 4.29Å; R237-P285 VanDerWaalsContact NH2-CB 3.33Å | ||
| 238 | T | 91.6 | Very high | 92.3 | Very high | 55 Ų | 55 | 22 Ų | 22 | 34% | 0.337 | 15% | 0.148 | S | C | . | . | trans | -128.4 | 6 | -171.1 | 55 | 0 | 0 | 0 | 0 | 114.7 | P196 L281 H282 G283 | P196-T238 HydrophobicContact CB-CG2 4.48Å; P196-T238 HydrophobicContact CG-CG2 4Å; T238-L281 PolarHBondContact OG1-O 3.22Å; T238-H282 WeakPolarHBondContact OG1-CA 3.4Å; T238-G283 PolarHBondContact OG1-N 2.9Å | ||
| 239 | D | 88.7 | Confident | 92.4 | Very high | 50 Ų | 50 | 23 Ų | 23 | 27% | 0.267 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -96.4 | 4.2 | -177.2 | 64.4 | -23 | 0 | 0 | 0 | 113.7 | R237 P241 P285 | R237-D239 WeakPolarHBondContact CD-OD1 3.41Å; R237-D239 WeakPolarHBondContact CG-OD1 3.45Å; R237-D239 IonicContact CZ-OD1 3.73Å; R237-D239 IonicContact CZ-OD2 2.69Å; R237-D239 VanDerWaalsContact CZ-OD2 3.23Å; R237-D239 IonicContact NE-OD1 3.23Å; R237-D239 PolarHBondContact NE-OD1 3.46Å; R237-D239 IonicContact NE-OD2 2.83Å; R237-D239 PolarHBondContact NE-OD2 2.88Å; R237-D239 IonicContact NH2-OD1 2.69Å; R237-D239 IonicContact NH2-OD2 2.95Å; R237-D239 PolarHBondContact NH2-OD2 3.22Å; D239-P241 WeakPolarHBondContact OD1-CD 3.28Å; D239-P285 WeakPolarHBondContact OD2-CA 3.27Å; D239-P285 VanDerWaalsContact OD2-CB 3.3Å; D239-P285 WeakPolarHBondContact OD2-CB 3.49Å |
| 240 | G | 85.6 | Confident | 92.5 | Very high | 65 Ų | 65 | 26.4 Ų | 26.4 | 67% | 0.67 | 17% | 0.167 | S | C | * | . | S | Bend | trans | 136.1 | -64.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 241 | P | 86.9 | Confident | 92.4 | Very high | 20 Ų | 20 | 23.8 Ų | 23.8 | 13% | 0.13 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -60.9 | 132.2 | -177.4 | -26.1 | 35.5 | 0 | 0 | 0 | 112.8 | D239 I243 E304 | D239-P241 WeakPolarHBondContact OD1-CD 3.28Å; P241-I243 HydrophobicContact CB-CD1 4.1Å; P241-I243 HydrophobicContact CB-CG1 4.2Å; P241-I243 PolarHBondContact O-N 3.35Å; P241-E304 HydrophobicContact CG-CG 4.17Å |
| 242 | P | 90.8 | Very high | 92.2 | Very high | 53 Ų | 53 | 24.5 Ų | 24.5 | 34% | 0.344 | 15% | 0.153 | S | C | . | . | trans | -79.5 | 60.5 | -175.9 | 34 | -36.6 | 0 | 0 | 0 | 111.9 | L258 E259 | P242-L258 HydrophobicContact CB-CB 4.35Å; P242-L258 WeakPolarHBondContact O-CB 3.47Å; P242-L258 WeakPolarHBondContact O-CG 3.28Å; P242-L258 PolarHBondContact O-N 3.4Å; P242-E259 HydrophobicContact CG-CB 3.79Å | ||
| 243 | I | 91.7 | Very high | 92.2 | Very high | 15 Ų | 15 | 22.7 Ų | 22.7 | 8% | 0.077 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.8 | -177.3 | -62.4 | 174.6 | 0 | 0 | 0 | 110.7 | R237 P241 L255 W256 | R237-I243 HydrophobicContact CB-CB 4.24Å; R237-I243 VanDerWaalsContact CB-O 3.3Å; R237-I243 WeakPolarHBondContact CB-O 3.36Å; R237-I243 PolarHBondContact N-O 2.97Å; P241-I243 HydrophobicContact CB-CD1 4.1Å; P241-I243 HydrophobicContact CB-CG1 4.2Å; P241-I243 PolarHBondContact O-N 3.35Å; I243-L255 HydrophobicContact CG2-CD2 4.24Å; I243-W256 CarbonylContact C-O 3.52Å; I243-W256 WeakPolarHBondContact CA-O 3.34Å |
| 244 | M | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.9 | 170.7 | 178.4 | -174.5 | 66.7 | 0 | 0 | 110.2 | I210 I212 F224 L234 A235 F236 L255 W256 L258 | I210-M244 HydrophobicContact CB-CE 4.33Å; I210-M244 HydrophobicContact CD1-CE 3.74Å; I210-M244 HydrophobicContact CG2-CE 3.69Å; I210-M244 HydrophobicContact CG2-SD 3.73Å; I212-M244 HydrophobicContact CD1-SD 3.94Å; F224-M244 HydrophobicContact CD2-CE 3.77Å; F224-M244 HydrophobicContact CE2-CE 4.1Å; F224-M244 HydrophobicContact CG-CE 4.42Å; L234-M244 HydrophobicContact CD2-SD 4.15Å; A235-M244 CarbonylContact O-C 3.56Å; A235-M244 WeakPolarHBondContact O-CA 3.35Å; F236-M244 HydrophobicContact CD1-CB 4.1Å; F236-M244 HydrophobicContact CD1-CG 4.17Å; F236-M244 HydrophobicContact CE1-CB 4.1Å; F236-M244 HydrophobicContact CE1-CG 3.91Å; F236-M244 HydrophobicContact CE1-SD 3.84Å; F236-M244 HydrophobicContact CZ-CG 4.38Å; F236-M244 HydrophobicContact CZ-SD 4.03Å; M244-L255 CarbonylContact O-C 3.56Å; M244-L255 WeakPolarHBondContact O-CA 3.49Å; M244-W256 HydrophobicContact CB-CB 4.41Å; M244-W256 HydrophobicContact CE-CB 3.84Å; M244-W256 HydrophobicContact CE-CG 3.71Å; M244-W256 PolarHBondContact N-O 3.25Å; M244-W256 PolarHBondContact O-N 2.94Å; M244-L258 HydrophobicContact CB-CD1 4.31Å; M244-L258 HydrophobicContact CB-CD2 3.93Å; M244-L258 HydrophobicContact CB-CG 4.21Å; M244-L258 HydrophobicContact CE-CD2 4.24Å; M244-L258 HydrophobicContact SD-CD2 4.34Å |
| 245 | A | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L234 A235 I253 A254 L255 F280 L287 | L234-A245 WeakPolarHBondContact CA-O 3.34Å; A235-A245 HydrophobicContact CB-CB 4.42Å; A235-A245 PolarHBondContact N-O 3.01Å; A235-A245 PolarHBondContact O-N 2.92Å; A245-I253 HydrophobicContact CB-CG2 4.43Å; A245-A254 CarbonylContact C-O 3.59Å; A245-A254 WeakPolarHBondContact CA-O 3.38Å; A245-L255 HydrophobicContact CB-CD2 3.78Å; A245-F280 HydrophobicContact CB-CE2 3.65Å; A245-F280 HydrophobicContact CB-CZ 4.07Å; A245-L287 HydrophobicContact CB-CD1 4.46Å; A245-L287 HydrophobicContact CB-CD2 4.15Å |
| 246 | S | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139.9 | 170.7 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | Q226 T233 I253 A254 W256 | Q226-S246 PolarHBondContact OE1-OG 2.82Å; T233-S246 WeakPolarHBondContact O-CA 3.35Å; S246-I253 CarbonylContact O-C 3.52Å; S246-I253 WeakPolarHBondContact O-CA 3.25Å; S246-A254 PolarHBondContact N-O 3.5Å; S246-A254 PolarHBondContact O-N 3.39Å; S246-W256 PolarHBondContact OG-NE1 3.28Å |
| 247 | G | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 156.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q226 S232 T233 | Q226-G247 PolarHBondContact NE2-O 3.43Å; S232-G247 PolarHBondContact N-O 3.43Å; S232-G247 VanDerWaalsContact OG-C 3.27Å; S232-G247 PolarHBondContact OG-O 2.63Å; T233-G247 PolarHBondContact O-N 3.34Å |
| 248 | S | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -123.4 | 156.3 | 177.1 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | Q226 S232 Q250 G251 H252 V275 | Q226-S248 VanDerWaalsContact NE2-CB 3.27Å; S232-S248 PolarHBondContact OG-N 3.18Å; S248-Q250 PolarHBondContact O-N 2.9Å; S248-G251 PolarHBondContact O-N 3.34Å; S248-G251 VanDerWaalsContact O-N 3.14Å; S248-G251 PolarHBondContact OG-N 2.82Å; S248-H252 PolarHBondContact N-O 3.1Å; S248-H252 VanDerWaalsContact OG-CA 3.31Å; S248-H252 WeakPolarHBondContact OG-CA 3.5Å; S248-H252 VanDerWaalsContact OG-CB 3.31Å; S248-H252 WeakPolarHBondContact OG-CB 3.22Å; S248-H252 PolarHBondContact OG-N 2.82Å; S248-H252 PolarHBondContact OG-O 2.92Å; S248-V275 PolarHBondContact O-N 3.01Å; S248-V275 VanDerWaalsContact O-N 3.17Å | ||
| 249 | P | 91.6 | Very high | 91.6 | Very high | 51 Ų | 51 | 29.1 Ų | 29.1 | 33% | 0.331 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.5 | 169.2 | -20.9 | 29.6 | 0 | 0 | 0 | 113.7 | P230 G251 A274 | P230-P249 HydrophobicContact CG-CG 3.65Å; P230-P249 WeakPolarHBondContact O-CD 3.4Å; P249-G251 PolarHBondContact O-N 3.38Å; P249-A274 HydrophobicContact CB-CB 4.39Å; P249-A274 WeakPolarHBondContact O-CA 3.38Å; P249-A274 WeakPolarHBondContact O-CB 3.48Å; P249-A274 PolarHBondContact O-N 3.47Å; P249-A274 VanDerWaalsContact O-N 3.12Å |
| 250 | Q | 89.8 | Confident | 91.7 | Very high | 103 Ų | 103 | 35.2 Ų | 35.2 | 48% | 0.481 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 2.6 | 177.1 | -59 | -178.1 | 29.8 | 0 | 0 | 112.8 | W228 S248 H252 | W228-Q250 PolarHBondContact O-NE2 3.17Å; S248-Q250 PolarHBondContact O-N 2.9Å; Q250-H252 VanDerWaalsContact C-N 3.35Å; Q250-H252 PolarHBondContact O-ND1 3.02Å |
| 251 | G | 90.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 79.4 | 16.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S248 P249 A270 H271 T273 | S248-G251 PolarHBondContact O-N 3.34Å; S248-G251 VanDerWaalsContact O-N 3.14Å; S248-G251 PolarHBondContact OG-N 2.82Å; P249-G251 PolarHBondContact O-N 3.38Å; G251-A270 WeakPolarHBondContact O-CA 2.93Å; G251-A270 WeakPolarHBondContact O-CB 3.3Å; G251-A270 PolarHBondContact O-N 3.43Å; G251-H271 PolarHBondContact O-N 2.79Å; G251-T273 WeakPolarHBondContact CA-O 3.48Å; G251-T273 PolarHBondContact N-O 2.67Å |
| 252 | H | 92.4 | Very high | 92 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.065 | 20% | 0.203 | C | C | . | . | trans | -96.7 | 150.9 | 175.1 | -54.5 | -8.3 | 0 | 0 | 0 | 111.1 | W228 S248 Q250 Q267 H269 | W228-H252 HydrophobicContact CD2-CB 3.98Å; W228-H252 AromaticContact CD2-CD2 3.83Å; W228-H252 AromaticContact CE2-CD2 3.83Å; W228-H252 HydrophobicContact CE3-CB 3.48Å; W228-H252 VanDerWaalsContact CE3-CB 3.48Å; W228-H252 HydrophobicContact CH2-CB 4.01Å; W228-H252 HydrophobicContact CZ2-CB 4.47Å; W228-H252 HydrophobicContact CZ3-CB 3.49Å; W228-H252 VanDerWaalsContact CZ3-CB 3.49Å; S248-H252 PolarHBondContact N-O 3.1Å; S248-H252 VanDerWaalsContact OG-CA 3.31Å; S248-H252 WeakPolarHBondContact OG-CA 3.5Å; S248-H252 VanDerWaalsContact OG-CB 3.31Å; S248-H252 WeakPolarHBondContact OG-CB 3.22Å; S248-H252 PolarHBondContact OG-N 2.82Å; S248-H252 PolarHBondContact OG-O 2.92Å; Q250-H252 VanDerWaalsContact C-N 3.35Å; Q250-H252 PolarHBondContact O-ND1 3.02Å; H252-Q267 WeakPolarHBondContact CA-O 3.04Å; H252-H269 AromaticContact CE1-CE1 3.85Å; H252-H269 PolarHBondContact CE1-N 3.43Å; H252-H269 AromaticContact CE1-ND1 3.79Å; H252-H269 PolarHBondContact ND1-N 3.47Å | ||
| 253 | I | 93.1 | Very high | 92 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.4 | 175.1 | -57.5 | 165.8 | 0 | 0 | 0 | 108.4 | A245 S246 Q267 A270 V275 T289 | A245-I253 HydrophobicContact CB-CG2 4.43Å; S246-I253 CarbonylContact O-C 3.52Å; S246-I253 WeakPolarHBondContact O-CA 3.25Å; I253-Q267 HydrophobicContact CB-CB 4.26Å; I253-Q267 PolarHBondContact N-O 2.94Å; I253-Q267 PolarHBondContact O-N 2.9Å; I253-A270 HydrophobicContact CD1-CB 3.53Å; I253-A270 HydrophobicContact CG1-CB 3.85Å; I253-V275 HydrophobicContact CG1-CG2 4.18Å; I253-T289 HydrophobicContact CD1-CG2 3.73Å |
| 254 | A | 93.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 143.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | W228 A245 S246 W256 L263 | W228-A254 HydrophobicContact CH2-CB 4.23Å; W228-A254 HydrophobicContact CZ3-CB 3.76Å; A245-A254 CarbonylContact C-O 3.59Å; A245-A254 WeakPolarHBondContact CA-O 3.38Å; S246-A254 PolarHBondContact N-O 3.5Å; S246-A254 PolarHBondContact O-N 3.39Å; A254-W256 HydrophobicContact CB-CZ2 3.86Å; A254-L263 HydrophobicContact CB-CD1 3.89Å |
| 255 | L | 92.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.6 | 179.6 | -64.8 | 162.6 | 0 | 0 | 0 | 108.8 | I243 M244 A245 L263 V264 A265 F301 A308 | I243-L255 HydrophobicContact CG2-CD2 4.24Å; M244-L255 CarbonylContact O-C 3.56Å; M244-L255 WeakPolarHBondContact O-CA 3.49Å; A245-L255 HydrophobicContact CB-CD2 3.78Å; L255-L263 WeakPolarHBondContact O-CD1 3.42Å; L255-V264 HydrophobicContact CB-CB 4.43Å; L255-V264 PolarHBondContact O-N 3.2Å; L255-A265 HydrophobicContact CB-CB 4.49Å; L255-A265 HydrophobicContact CD1-CB 4Å; L255-A265 PolarHBondContact N-O 3.18Å; L255-A265 PolarHBondContact O-N 3.1Å; L255-F301 HydrophobicContact CD1-CE1 3.61Å; L255-F301 HydrophobicContact CD1-CZ 4.3Å; L255-F301 HydrophobicContact CD2-CE1 3.74Å; L255-F301 HydrophobicContact CD2-CZ 3.88Å; L255-F301 HydrophobicContact CG-CE1 4.32Å; L255-A308 HydrophobicContact CD1-CB 4.24Å |
| 256 | W | 92.8 | Very high | 91.3 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.4 | -173.4 | -50.5 | 90.2 | 0 | 0 | 0 | 109.4 | I210 F224 T225 Q226 I243 M244 S246 A254 L263 | I210-W256 HydrophobicContact CD1-CZ2 4.41Å; F224-W256 HydrophobicContact CB-CD2 4.39Å; F224-W256 HydrophobicContact CB-CE3 4.19Å; F224-W256 HydrophobicContact CB-CZ3 4.27Å; F224-W256 HydrophobicContact CD1-CD2 4.33Å; F224-W256 AromaticContact CD1-CE3 3.73Å; F224-W256 HydrophobicContact CD1-CE3 3.73Å; F224-W256 HydrophobicContact CD1-CZ3 4.25Å; F224-W256 HydrophobicContact CE1-CE3 4.46Å; F224-W256 HydrophobicContact CG-CD2 4.42Å; F224-W256 HydrophobicContact CG-CE3 4.18Å; T225-W256 WeakPolarHBondContact O-CH2 3.4Å; Q226-W256 HydrophobicContact CB-CZ2 4.34Å; I243-W256 CarbonylContact C-O 3.52Å; I243-W256 WeakPolarHBondContact CA-O 3.34Å; M244-W256 HydrophobicContact CB-CB 4.41Å; M244-W256 HydrophobicContact CE-CB 3.84Å; M244-W256 HydrophobicContact CE-CG 3.71Å; M244-W256 PolarHBondContact N-O 3.25Å; M244-W256 PolarHBondContact O-N 2.94Å; S246-W256 PolarHBondContact OG-NE1 3.28Å; A254-W256 HydrophobicContact CB-CZ2 3.86Å; W256-L263 HydrophobicContact CD2-CD1 4.13Å; W256-L263 HydrophobicContact CE3-CB 3.97Å; W256-L263 HydrophobicContact CE3-CD1 4.03Å; W256-L263 HydrophobicContact CH2-CD1 4.01Å; W256-L263 HydrophobicContact CZ2-CD1 4.11Å; W256-L263 HydrophobicContact CZ3-CB 3.81Å; W256-L263 HydrophobicContact CZ3-CD1 3.97Å; W256-L263 HydrophobicContact CZ3-CG 4.43Å |
| 257 | D | 91.6 | Very high | 90.9 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 13% | 0.128 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.1 | 169.5 | -175.9 | -22.8 | 0 | 0 | 0 | 107.9 | E259 R260 Q261 Q262 V264 | D257-E259 PolarHBondContact OD1-N 3.29Å; D257-R260 HydrophobicContact CB-CB 4.24Å; D257-R260 PolarHBondContact OD1-N 3.28Å; D257-R260 VanDerWaalsContact OD1-N 3.13Å; D257-R260 VanDerWaalsContact OD2-CD 3.3Å; D257-R260 WeakPolarHBondContact OD2-CD 3.33Å; D257-R260 WeakPolarHBondContact OD2-CG 3.43Å; D257-R260 IonicContact OD2-NE 3.75Å; D257-Q261 VanDerWaalsContact O-CA 3.25Å; D257-Q261 WeakPolarHBondContact O-CA 3.24Å; D257-Q261 PolarHBondContact O-N 3.47Å; D257-Q262 PolarHBondContact N-O 2.85Å; D257-Q262 PolarHBondContact O-N 3.04Å; D257-V264 HydrophobicContact CB-CG2 3.5Å |
| 258 | L | 91.6 | Very high | 90.6 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -26.1 | -176.2 | -57.6 | 175.1 | 0 | 0 | 0 | 112.4 | M222 F224 F236 P242 M244 | M222-L258 HydrophobicContact CE-CB 4.42Å; M222-L258 HydrophobicContact SD-CB 4.06Å; M222-L258 HydrophobicContact SD-CD2 3.74Å; M222-L258 HydrophobicContact SD-CG 4.45Å; F224-L258 HydrophobicContact CE2-CD2 3.6Å; F224-L258 HydrophobicContact CZ-CD2 3.81Å; F236-L258 HydrophobicContact CD1-CD1 3.96Å; F236-L258 HydrophobicContact CE1-CD1 3.91Å; P242-L258 HydrophobicContact CB-CB 4.35Å; P242-L258 WeakPolarHBondContact O-CB 3.47Å; P242-L258 WeakPolarHBondContact O-CG 3.28Å; P242-L258 PolarHBondContact O-N 3.4Å; M244-L258 HydrophobicContact CB-CD1 4.31Å; M244-L258 HydrophobicContact CB-CD2 3.93Å; M244-L258 HydrophobicContact CB-CG 4.21Å; M244-L258 HydrophobicContact CE-CD2 4.24Å; M244-L258 HydrophobicContact SD-CD2 4.34Å |
| 259 | E | 90.6 | Very high | 90.2 | Very high | 159 Ų | 159 | 64.8 Ų | 64.8 | 74% | 0.743 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -44.5 | 178 | -176.8 | 177.2 | -161.2 | 0 | 0 | 110.3 | P242 D257 | P242-E259 HydrophobicContact CG-CB 3.79Å; D257-E259 PolarHBondContact OD1-N 3.29Å |
| 260 | R | 88.9 | Confident | 90 | Very high | 178 Ų | 178 | 62.5 Ų | 62.5 | 67% | 0.672 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.7 | 178 | -61.8 | -175.5 | -177.7 | -170.9 | 1.6 | 114 | D257 Q262 | D257-R260 HydrophobicContact CB-CB 4.24Å; D257-R260 PolarHBondContact OD1-N 3.28Å; D257-R260 VanDerWaalsContact OD1-N 3.13Å; D257-R260 VanDerWaalsContact OD2-CD 3.3Å; D257-R260 WeakPolarHBondContact OD2-CD 3.33Å; D257-R260 WeakPolarHBondContact OD2-CG 3.43Å; D257-R260 IonicContact OD2-NE 3.75Å; R260-Q262 HydrophobicContact CB-CB 4.37Å; R260-Q262 WeakPolarHBondContact O-CG 3.49Å; R260-Q262 PolarHBondContact O-N 2.74Å |
| 261 | Q | 90.6 | Very high | 90 | Very high | 119 Ų | 119 | 57.6 Ų | 57.6 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 39.9 | -173.1 | -58.3 | -175.7 | -20.7 | 0 | 0 | 113 | F224 D257 | F224-Q261 HydrophobicContact CE1-CB 4.32Å; D257-Q261 VanDerWaalsContact O-CA 3.25Å; D257-Q261 WeakPolarHBondContact O-CA 3.24Å; D257-Q261 PolarHBondContact O-N 3.47Å |
| 262 | Q | 89.6 | Confident | 89.7 | Confident | 125 Ų | 125 | 61.2 Ų | 61.2 | 58% | 0.584 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.1 | -174.9 | -76.6 | -179.6 | -3.2 | 0 | 0 | 112.1 | D257 R260 V264 | D257-Q262 PolarHBondContact N-O 2.85Å; D257-Q262 PolarHBondContact O-N 3.04Å; R260-Q262 HydrophobicContact CB-CB 4.37Å; R260-Q262 WeakPolarHBondContact O-CG 3.49Å; R260-Q262 PolarHBondContact O-N 2.74Å; Q262-V264 PolarHBondContact O-N 3.47Å |
| 263 | L | 89.9 | Confident | 89.5 | Confident | 69 Ų | 69 | 62.9 Ų | 62.9 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 118.8 | 169.9 | 176.7 | 74.4 | 0 | 0 | 0 | 109.6 | A254 L255 W256 Q266 | A254-L263 HydrophobicContact CB-CD1 3.89Å; L255-L263 WeakPolarHBondContact O-CD1 3.42Å; W256-L263 HydrophobicContact CD2-CD1 4.13Å; W256-L263 HydrophobicContact CE3-CB 3.97Å; W256-L263 HydrophobicContact CE3-CD1 4.03Å; W256-L263 HydrophobicContact CH2-CD1 4.01Å; W256-L263 HydrophobicContact CZ2-CD1 4.11Å; W256-L263 HydrophobicContact CZ3-CB 3.81Å; W256-L263 HydrophobicContact CZ3-CD1 3.97Å; W256-L263 HydrophobicContact CZ3-CG 4.43Å; L263-Q266 HydrophobicContact CD1-CG 4.1Å; L263-Q266 HydrophobicContact CD2-CG 3.73Å; L263-Q266 HydrophobicContact CG-CG 4.28Å |
| 264 | V | 87.8 | Confident | 89.4 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 28% | 0.279 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -53.7 | 179.2 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | L255 D257 Q262 | L255-V264 HydrophobicContact CB-CB 4.43Å; L255-V264 PolarHBondContact O-N 3.2Å; D257-V264 HydrophobicContact CB-CG2 3.5Å; Q262-V264 PolarHBondContact O-N 3.47Å |
| 265 | A | 87.7 | Confident | 89.5 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 150.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112 | L255 | L255-A265 HydrophobicContact CB-CB 4.49Å; L255-A265 HydrophobicContact CD1-CB 4Å; L255-A265 PolarHBondContact N-O 3.18Å; L255-A265 PolarHBondContact O-N 3.1Å |
| 266 | Q | 89.1 | Confident | 89.5 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.3 | 174.9 | -66 | -173.3 | -14.1 | 0 | 0 | 109.6 | W228 L263 | W228-Q266 HydrophobicContact CH2-CB 3.81Å; W228-Q266 HydrophobicContact CH2-CG 3.66Å; W228-Q266 HydrophobicContact CZ2-CB 4.29Å; W228-Q266 VanDerWaalsContact CZ2-CD 3.45Å; W228-Q266 HydrophobicContact CZ2-CG 4.04Å; L263-Q266 HydrophobicContact CD1-CG 4.1Å; L263-Q266 HydrophobicContact CD2-CG 3.73Å; L263-Q266 HydrophobicContact CG-CG 4.28Å |
| 267 | Q | 88.1 | Confident | 89.6 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 94.9 | 170.9 | -59.8 | -60.6 | -27.1 | 0 | 0 | 108.7 | H252 I253 A270 A308 | H252-Q267 WeakPolarHBondContact CA-O 3.04Å; I253-Q267 HydrophobicContact CB-CB 4.26Å; I253-Q267 PolarHBondContact N-O 2.94Å; I253-Q267 PolarHBondContact O-N 2.9Å; Q267-A270 HydrophobicContact CB-CB 4.35Å; Q267-A308 HydrophobicContact CG-CB 4.42Å; Q267-A308 PolarHBondContact NE2-O 2.85Å |
| 268 | R | 87.2 | Confident | 89.8 | Confident | 165 Ų | 165 | 63.3 Ų | 63.3 | 62% | 0.623 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 141.1 | 176.2 | -62.3 | -173.1 | -174.4 | -173.4 | -0.7 | 110.5 | A270 | R268-A270 PolarHBondContact O-N 2.94Š|
| 269 | H | 84.9 | Confident | 89.9 | Confident | 107 Ų | 107 | 63.6 Ų | 63.6 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 40.5 | -176.3 | -52.6 | -78.3 | 0 | 0 | 0 | 113.1 | H252 H271 | H252-H269 AromaticContact CE1-CE1 3.85Å; H252-H269 PolarHBondContact CE1-N 3.43Å; H252-H269 AromaticContact CE1-ND1 3.79Å; H252-H269 PolarHBondContact ND1-N 3.47Å; H269-H271 CarbonylContact C-O 3.53Å; H269-H271 PolarHBondContact O-N 2.84Å |
| 270 | A | 87 | Confident | 90.1 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -59.2 | -36 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G251 I253 Q267 R268 K297 W299 | G251-A270 WeakPolarHBondContact O-CA 2.93Å; G251-A270 WeakPolarHBondContact O-CB 3.3Å; G251-A270 PolarHBondContact O-N 3.43Å; I253-A270 HydrophobicContact CD1-CB 3.53Å; I253-A270 HydrophobicContact CG1-CB 3.85Å; Q267-A270 HydrophobicContact CB-CB 4.35Å; R268-A270 PolarHBondContact O-N 2.94Å; A270-K297 WeakPolarHBondContact O-CD 3.43Å; A270-K297 WeakPolarHBondContact O-CE 3.35Å; A270-K297 PolarHBondContact O-NZ 3.49Å; A270-W299 HydrophobicContact CB-CH2 4.12Å; A270-W299 HydrophobicContact CB-CZ2 3.82Å |
| 271 | H | 90.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -127.1 | 160.1 | 165.5 | -71.8 | -94.8 | 0 | 0 | 0 | 109.6 | G251 H269 T273 V275 T289 G291 D293 A295 | G251-H271 PolarHBondContact O-N 2.79Å; H269-H271 CarbonylContact C-O 3.53Å; H269-H271 PolarHBondContact O-N 2.84Å; H271-T273 WeakPolarHBondContact CB-O 3.34Å; H271-V275 HydrophobicContact CB-CG2 4.49Å; H271-T289 WeakPolarHBondContact NE2-CB 3.45Å; H271-T289 PolarHBondContact NE2-OG1 3.37Å; H271-G291 PolarHBondContact CE1-N 2.72Å; H271-D293 WeakPolarHBondContact CA-OD2 3.37Å; H271-D293 IonicContact CE1-OD1 3.15Å; H271-D293 IonicContact CG-OD1 3.01Å; H271-D293 IonicContact CG-OD2 3.95Å; H271-D293 IonicContact ND1-OD1 3.92Å; H271-D293 PolarHBondContact ND1-OD1 2.75Å; H271-D293 IonicContact ND1-OD2 2.67Å; H271-A295 PolarHBondContact CE1-O 3.03Å |
| 272 | R | 84.9 | Confident | 90.4 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -76.6 | -29.5 | 174.8 | -61.8 | -175.6 | -169.7 | 175.1 | 12.1 | 112.8 | D293 S318 D340 H359 | R272-D293 HydrophobicContact CB-CB 3.83Å; R272-D293 HydrophobicContact CG-CB 4.35Å; R272-D293 PolarHBondContact N-OD2 3.07Å; R272-S318 WeakPolarHBondContact CD-OG 3.42Å; R272-S318 PolarHBondContact NH1-OG 3.17Å; R272-D340 IonicContact CZ-OD2 3.6Å; R272-D340 VanDerWaalsContact NH1-CB 3.29Å; R272-D340 IonicContact NH1-OD2 2.89Å; R272-D340 PolarHBondContact NH1-OD2 2.58Å; R272-D340 IonicContact NH2-OD2 3.58Å; R272-H359 VanDerWaalsContact CZ-NE2 3.32Å; R272-H359 PolarHBondContact NH1-NE2 3.39Å; R272-H359 PolarHBondContact NH2-NE2 2.77Å |
| 273 | T | 87.9 | Confident | 90.4 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 30% | 0.301 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -115.4 | -175.4 | 178.8 | 60.7 | 0 | 0 | 0 | 0 | 109.3 | G251 H271 V275 A292 D293 | G251-T273 WeakPolarHBondContact CA-O 3.48Å; G251-T273 PolarHBondContact N-O 2.67Å; H271-T273 WeakPolarHBondContact CB-O 3.34Å; T273-V275 PolarHBondContact O-N 3.34Å; T273-A292 HydrophobicContact CG2-CB 4.47Å; T273-A292 VanDerWaalsContact OG1-C 3.31Å; T273-A292 WeakPolarHBondContact OG1-CA 3.32Å; T273-A292 WeakPolarHBondContact OG1-CB 3.49Å; T273-A292 PolarHBondContact OG1-N 3.36Å; T273-D293 HydrophobicContact CG2-CB 4.13Å; T273-D293 PolarHBondContact OG1-N 2.91Å |
| 274 | A | 91.1 | Very high | 90.4 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | trans | -48.5 | 137.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P249 A276 G291 | P249-A274 HydrophobicContact CB-CB 4.39Å; P249-A274 WeakPolarHBondContact O-CA 3.38Å; P249-A274 WeakPolarHBondContact O-CB 3.48Å; P249-A274 PolarHBondContact O-N 3.47Å; P249-A274 VanDerWaalsContact O-N 3.12Å; A274-A276 PolarHBondContact O-N 2.9Å; A274-G291 WeakPolarHBondContact O-CA 3.26Å | ||
| 275 | V | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 108.8 | 168.2 | -173.7 | 0 | 0 | 0 | 0 | 107.1 | S232 T233 S248 I253 H271 T273 N290 | S232-V275 VanDerWaalsContact CB-O 3.29Å; S232-V275 WeakPolarHBondContact CB-O 3.49Å; S232-V275 PolarHBondContact OG-O 3.34Å; T233-V275 HydrophobicContact CG2-CG1 4.04Å; S248-V275 PolarHBondContact O-N 3.01Å; S248-V275 VanDerWaalsContact O-N 3.17Å; I253-V275 HydrophobicContact CG1-CG2 4.18Å; H271-V275 HydrophobicContact CB-CG2 4.49Å; T273-V275 PolarHBondContact O-N 3.34Å; V275-N290 CarbonylContact C-O 3.56Å |
| 276 | A | 93.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -41.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H21 A274 N290 | H21-A276 VanDerWaalsContact O-CB 3.27Å; H21-A276 WeakPolarHBondContact O-CB 3.45Å; A274-A276 PolarHBondContact O-N 2.9Å; A276-N290 PolarHBondContact N-O 3.46Å |
| 277 | A | 94.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 42 Ų | 42 | 5% | 0.05 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 149.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P23 H24 T289 N290 | P23-A277 HydrophobicContact CB-CB 3.91Å; H24-A277 WeakPolarHBondContact ND1-CB 3.38Å; A277-T289 WeakPolarHBondContact O-CA 3.36Å; A277-N290 PolarHBondContact N-O 3.37Å; A277-N290 PolarHBondContact O-N 3.11Å |
| 278 | A | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127 | 172 | 0 | 0 | 0 | 0 | 0 | 108 | T233 A235 L287 V288 T289 | T233-A278 HydrophobicContact CG2-CB 3.54Å; T233-A278 PolarHBondContact OG1-N 2.96Å; T233-A278 PolarHBondContact OG1-O 2.94Å; A235-A278 WeakPolarHBondContact CB-O 3.45Å; A278-L287 HydrophobicContact CB-CD1 4.18Å; A278-V288 WeakPolarHBondContact CA-O 3.31Å; A278-T289 HydrophobicContact CB-CG2 4.04Å |
| 279 | T | 95.3 | Very high | 92.1 | Very high | 34 Ų | 34 | 32 Ų | 32 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 126.8 | -179.5 | 60 | 0 | 0 | 0 | 0 | 110.4 | H24 V288 | H24-T279 PolarHBondContact NE2-OG1 3.33Å; T279-V288 PolarHBondContact N-O 3.25Å; T279-V288 PolarHBondContact O-N 2.8Å |
| 280 | F | 95.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 5% | 0.053 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 144.2 | 168.7 | -77.9 | -78.5 | 0 | 0 | 0 | 110.3 | A235 F236 R237 A245 L286 L287 F301 | A235-F280 HydrophobicContact CB-CD2 3.58Å; A235-F280 HydrophobicContact CB-CE2 4.05Å; F236-F280 VanDerWaalsContact C-CD2 3.41Å; F236-F280 WeakPolarHBondContact O-CB 3.46Å; F236-F280 WeakPolarHBondContact O-CD2 3.41Å; R237-F280 HydrophobicContact CB-CD1 4.3Å; R237-F280 HydrophobicContact CB-CD2 4.26Å; R237-F280 HydrophobicContact CB-CE1 4.25Å; R237-F280 HydrophobicContact CB-CE2 4.23Å; R237-F280 HydrophobicContact CB-CG 4.3Å; R237-F280 HydrophobicContact CB-CZ 4.23Å; R237-F280 HydrophobicContact CG-CD1 3.87Å; R237-F280 HydrophobicContact CG-CE1 3.85Å; R237-F280 HydrophobicContact CG-CG 4.31Å; R237-F280 HydrophobicContact CG-CZ 4.29Å; A245-F280 HydrophobicContact CB-CE2 3.65Å; A245-F280 HydrophobicContact CB-CZ 4.07Å; F280-L286 WeakPolarHBondContact CA-O 3.16Å; F280-L287 HydrophobicContact CD1-CB 3.98Å; F280-L287 HydrophobicContact CD1-CD1 4.14Å; F280-L287 HydrophobicContact CD2-CD1 3.92Å; F280-L287 HydrophobicContact CE1-CB 3.82Å; F280-L287 HydrophobicContact CE1-CD1 4.19Å; F280-L287 HydrophobicContact CE1-CG 4.46Å; F280-L287 HydrophobicContact CE2-CD1 3.96Å; F280-L287 HydrophobicContact CG-CD1 4.01Å; F280-L287 HydrophobicContact CZ-CB 4.34Å; F280-L287 HydrophobicContact CZ-CD1 4.1Å; F280-L287 HydrophobicContact CZ-CD2 4.42Å; F280-F301 HydrophobicContact CD1-CE2 4.45Å; F280-F301 AromaticContact CE1-CD2 3.99Å; F280-F301 HydrophobicContact CE1-CD2 3.99Å; F280-F301 AromaticContact CE1-CE2 3.46Å; F280-F301 HydrophobicContact CE1-CE2 3.46Å; F280-F301 VanDerWaalsContact CE1-CE2 3.46Å; F280-F301 AromaticContact CE1-CZ 3.83Å; F280-F301 HydrophobicContact CE1-CZ 3.83Å; F280-F301 HydrophobicContact CZ-CE2 4.08Å; F280-F301 AromaticContact CZ-CZ 3.96Å; F280-F301 HydrophobicContact CZ-CZ 3.96Å |
| 281 | L | 93.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 147.1 | 169.8 | -60.3 | -172.8 | 0 | 0 | 0 | 110.2 | L26 F35 V50 T238 G283 E284 L286 V288 | L26-L281 HydrophobicContact CD1-CD2 3.54Å; L26-L281 HydrophobicContact CD2-CD2 3.63Å; L26-L281 HydrophobicContact CG-CD2 4.21Å; F35-L281 HydrophobicContact CB-CD2 4.08Å; F35-L281 HydrophobicContact CD1-CD2 4.08Å; F35-L281 HydrophobicContact CD2-CD1 3.99Å; F35-L281 HydrophobicContact CD2-CD2 4.32Å; F35-L281 HydrophobicContact CE2-CB 4.34Å; F35-L281 HydrophobicContact CG-CD1 4.33Å; F35-L281 HydrophobicContact CG-CD2 3.92Å; F35-L281 HydrophobicContact CZ-CB 4.48Å; V50-L281 HydrophobicContact CG1-CD1 3.81Å; T238-L281 PolarHBondContact OG1-O 3.22Å; L281-G283 PolarHBondContact O-N 3.26Å; L281-E284 HydrophobicContact CB-CB 4Å; L281-E284 WeakPolarHBondContact CD1-OE2 3.21Å; L281-L286 HydrophobicContact CB-CB 4.42Å; L281-L286 HydrophobicContact CD1-CB 3.66Å; L281-L286 HydrophobicContact CD1-CD1 3.76Å; L281-L286 HydrophobicContact CD1-CG 4.27Å; L281-L286 HydrophobicContact CG-CB 3.95Å; L281-L286 PolarHBondContact N-O 3.21Å; L281-V288 HydrophobicContact CD2-CG2 4.07Å |
| 282 | H | 90.7 | Very high | 92.8 | Very high | 135 Ų | 135 | 28.4 Ų | 28.4 | 63% | 0.625 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 119.4 | 179.6 | -69.8 | -58.2 | 0 | 0 | 0 | 111 | F35 T238 E284 | F35-H282 HydrophobicContact CE1-CB 4.49Å; F35-H282 HydrophobicContact CZ-CB 4.2Å; T238-H282 WeakPolarHBondContact OG1-CA 3.4Å; H282-E284 PolarHBondContact O-N 3.13Å |
| 283 | G | 88.9 | Confident | 93 | Very high | 52 Ų | 52 | 24.8 Ų | 24.8 | 54% | 0.536 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 10.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T238 L281 | T238-G283 PolarHBondContact OG1-N 2.9Å; L281-G283 PolarHBondContact O-N 3.26Å |
| 284 | E | 91.3 | Very high | 93.3 | Very high | 77 Ų | 77 | 22.5 Ų | 22.5 | 36% | 0.36 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -125.7 | 147 | 177.8 | -68.1 | -176.6 | -172.2 | 0 | 0 | 111.7 | L281 H282 L286 | L281-E284 HydrophobicContact CB-CB 4Å; L281-E284 WeakPolarHBondContact CD1-OE2 3.21Å; H282-E284 PolarHBondContact O-N 3.13Å; E284-L286 PolarHBondContact O-N 3.49Å |
| 285 | P | 92 | Very high | 93.4 | Very high | 44 Ų | 44 | 20.6 Ų | 20.6 | 29% | 0.286 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -79.1 | 41.8 | 178.4 | 35.6 | -39.3 | 0 | 0 | 0 | 111.8 | R237 D239 I300 F301 | R237-P285 VanDerWaalsContact NH2-CB 3.33Å; D239-P285 WeakPolarHBondContact OD2-CA 3.27Å; D239-P285 VanDerWaalsContact OD2-CB 3.3Å; D239-P285 WeakPolarHBondContact OD2-CB 3.49Å; P285-I300 WeakPolarHBondContact O-CA 3.24Å; P285-F301 HydrophobicContact CB-CB 4.32Å; P285-F301 WeakPolarHBondContact O-CD2 2.99Å; P285-F301 PolarHBondContact O-N 3.36Å; P285-F301 VanDerWaalsContact O-N 3.12Å |
| 286 | L | 94.3 | Very high | 93.4 | Very high | 17 Ų | 17 | 20.6 Ų | 20.6 | 9% | 0.089 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.5 | -176.7 | -65.1 | -175.9 | 0 | 0 | 0 | 110.9 | F280 L281 E284 V298 W299 I300 L311 | F280-L286 WeakPolarHBondContact CA-O 3.16Å; L281-L286 HydrophobicContact CB-CB 4.42Å; L281-L286 HydrophobicContact CD1-CB 3.66Å; L281-L286 HydrophobicContact CD1-CD1 3.76Å; L281-L286 HydrophobicContact CD1-CG 4.27Å; L281-L286 HydrophobicContact CG-CB 3.95Å; L281-L286 PolarHBondContact N-O 3.21Å; E284-L286 PolarHBondContact O-N 3.49Å; L286-V298 HydrophobicContact CB-CG1 4.48Å; L286-V298 HydrophobicContact CD1-CG1 4.48Å; L286-V298 HydrophobicContact CD2-CG1 4.24Å; L286-W299 VanDerWaalsContact CA-O 3.32Å; L286-W299 WeakPolarHBondContact CA-O 3.42Å; L286-I300 HydrophobicContact CD2-CB 3.77Å; L286-I300 HydrophobicContact CD2-CD1 4.24Å; L286-I300 HydrophobicContact CD2-CG1 3.88Å; L286-L311 HydrophobicContact CD2-CD2 3.75Å |
| 287 | L | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.9 | 172.8 | 178.2 | 68.5 | 0 | 0 | 0 | 109.1 | A235 A245 A278 F280 T289 V298 W299 F301 | A235-L287 HydrophobicContact CB-CD1 4.27Å; A245-L287 HydrophobicContact CB-CD1 4.46Å; A245-L287 HydrophobicContact CB-CD2 4.15Å; A278-L287 HydrophobicContact CB-CD1 4.18Å; F280-L287 HydrophobicContact CD1-CB 3.98Å; F280-L287 HydrophobicContact CD1-CD1 4.14Å; F280-L287 HydrophobicContact CD2-CD1 3.92Å; F280-L287 HydrophobicContact CE1-CB 3.82Å; F280-L287 HydrophobicContact CE1-CD1 4.19Å; F280-L287 HydrophobicContact CE1-CG 4.46Å; F280-L287 HydrophobicContact CE2-CD1 3.96Å; F280-L287 HydrophobicContact CG-CD1 4.01Å; F280-L287 HydrophobicContact CZ-CB 4.34Å; F280-L287 HydrophobicContact CZ-CD1 4.1Å; F280-L287 HydrophobicContact CZ-CD2 4.42Å; L287-T289 HydrophobicContact CD2-CG2 4.07Å; L287-T289 HydrophobicContact CG-CG2 3.92Å; L287-V298 WeakPolarHBondContact O-CA 3.31Å; L287-W299 HydrophobicContact CB-CB 4.3Å; L287-W299 PolarHBondContact N-O 3.09Å; L287-W299 PolarHBondContact O-N 2.83Å; L287-F301 HydrophobicContact CB-CE2 3.6Å; L287-F301 HydrophobicContact CB-CZ 4.14Å; L287-F301 HydrophobicContact CD2-CE2 4.41Å; L287-F301 HydrophobicContact CD2-CZ 4.1Å |
| 288 | V | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.8 | 172.4 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | H24 V37 V50 A278 T279 L281 I296 K297 V298 | H24-V288 PolarHBondContact CE1-O 3.22Å; V37-V288 HydrophobicContact CG1-CG1 4.25Å; V37-V288 HydrophobicContact CG2-CB 4.45Å; V37-V288 HydrophobicContact CG2-CG1 3.79Å; V37-V288 HydrophobicContact CG2-CG2 4.18Å; V50-V288 HydrophobicContact CG1-CG2 4.09Å; V50-V288 HydrophobicContact CG2-CG2 4.42Å; A278-V288 WeakPolarHBondContact CA-O 3.31Å; T279-V288 PolarHBondContact N-O 3.25Å; T279-V288 PolarHBondContact O-N 2.8Å; L281-V288 HydrophobicContact CD2-CG2 4.07Å; V288-I296 HydrophobicContact CG1-CG2 4.41Å; V288-K297 WeakPolarHBondContact CA-O 3.19Å; V288-V298 HydrophobicContact CG2-CG2 4.33Å |
| 289 | T | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140.9 | 176.3 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | I253 H271 A277 A278 L287 K297 W299 | I253-T289 HydrophobicContact CD1-CG2 3.73Å; H271-T289 WeakPolarHBondContact NE2-CB 3.45Å; H271-T289 PolarHBondContact NE2-OG1 3.37Å; A277-T289 WeakPolarHBondContact O-CA 3.36Å; A278-T289 HydrophobicContact CB-CG2 4.04Å; L287-T289 HydrophobicContact CD2-CG2 4.07Å; L287-T289 HydrophobicContact CG-CG2 3.92Å; T289-K297 PolarHBondContact N-O 3.5Å; T289-K297 PolarHBondContact O-N 2.81Å; T289-W299 PolarHBondContact OG1-NE1 3.36Å |
| 290 | N | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.1 | 172.3 | -178.3 | 26.1 | 0 | 0 | 0 | 110.1 | S19 N20 V22 H24 V275 A276 A277 A295 | S19-N290 WeakPolarHBondContact CB-OD1 3.2Å; S19-N290 PolarHBondContact OG-OD1 2.83Å; N20-N290 PolarHBondContact O-ND2 3.11Å; V22-N290 PolarHBondContact O-ND2 3.38Å; H24-N290 HydrophobicContact CB-CB 4.21Å; H24-N290 WeakPolarHBondContact ND1-CB 3.28Å; V275-N290 CarbonylContact C-O 3.56Å; A276-N290 PolarHBondContact N-O 3.46Å; A277-N290 PolarHBondContact N-O 3.37Å; A277-N290 PolarHBondContact O-N 3.11Å; N290-A295 PolarHBondContact OD1-O 3.35Å |
| 291 | G | 92.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 163.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S19 H271 A274 D293 N294 A295 | S19-G291 PolarHBondContact OG-O 3.1Å; H271-G291 PolarHBondContact CE1-N 2.72Å; A274-G291 WeakPolarHBondContact O-CA 3.26Å; G291-D293 PolarHBondContact O-N 2.6Å; G291-D293 VanDerWaalsContact O-N 3.1Å; G291-N294 PolarHBondContact O-N 2.93Å; G291-A295 PolarHBondContact N-O 3.17Å |
| 292 | A | 89.7 | Confident | 92.6 | Very high | 36 Ų | 36 | 25.5 Ų | 25.5 | 30% | 0.298 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -4.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | H21 T273 N294 | H21-A292 HydrophobicContact CB-CB 3.84Å; T273-A292 HydrophobicContact CG2-CB 4.47Å; T273-A292 VanDerWaalsContact OG1-C 3.31Å; T273-A292 WeakPolarHBondContact OG1-CA 3.32Å; T273-A292 WeakPolarHBondContact OG1-CB 3.49Å; T273-A292 PolarHBondContact OG1-N 3.36Å; A292-N294 PolarHBondContact O-N 3.09Å |
| 293 | D | 89.9 | Confident | 91.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 17.4 | 176.7 | 67 | -26.9 | 0 | 0 | 0 | 113.2 | H271 R272 T273 G291 A295 | H271-D293 WeakPolarHBondContact CA-OD2 3.37Å; H271-D293 IonicContact CE1-OD1 3.15Å; H271-D293 IonicContact CG-OD1 3.01Å; H271-D293 IonicContact CG-OD2 3.95Å; H271-D293 IonicContact ND1-OD1 3.92Å; H271-D293 PolarHBondContact ND1-OD1 2.75Å; H271-D293 IonicContact ND1-OD2 2.67Å; R272-D293 HydrophobicContact CB-CB 3.83Å; R272-D293 HydrophobicContact CG-CB 4.35Å; R272-D293 PolarHBondContact N-OD2 3.07Å; T273-D293 HydrophobicContact CG2-CB 4.13Å; T273-D293 PolarHBondContact OG1-N 2.91Å; G291-D293 PolarHBondContact O-N 2.6Å; G291-D293 VanDerWaalsContact O-N 3.1Å; D293-A295 VanDerWaalsContact C-N 3.28Å; D293-A295 PolarHBondContact O-N 2.78Å |
| 294 | N | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 43.5 | 179.1 | -172.2 | 18.8 | 0 | 0 | 0 | 111.7 | G16 Y18 S19 G291 A292 Q315 G316 H317 L626 | G16-N294 PolarHBondContact O-ND2 3.12Å; Y18-N294 PolarHBondContact N-OD1 3.42Å; S19-N294 PolarHBondContact N-OD1 2.69Å; S19-N294 WeakPolarHBondContact O-CA 3.36Å; S19-N294 PolarHBondContact O-OD1 3.37Å; G291-N294 PolarHBondContact O-N 2.93Å; A292-N294 PolarHBondContact O-N 3.09Å; N294-Q315 WeakPolarHBondContact O-CA 3.49Å; N294-G316 PolarHBondContact O-N 3.36Å; N294-H317 WeakPolarHBondContact CB-O 3.4Å; N294-H317 PolarHBondContact ND2-O 3.35Å; N294-H317 VanDerWaalsContact ND2-O 3.14Å; N294-L626 HydrophobicContact CB-CD1 4.03Å |
| 295 | A | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S19 H271 N290 G291 D293 R314 Q315 | S19-A295 PolarHBondContact OG-N 2.88Å; S19-A295 PolarHBondContact OG-O 3.46Å; H271-A295 PolarHBondContact CE1-O 3.03Å; N290-A295 PolarHBondContact OD1-O 3.35Å; G291-A295 PolarHBondContact N-O 3.17Å; D293-A295 VanDerWaalsContact C-N 3.28Å; D293-A295 PolarHBondContact O-N 2.78Å; A295-R314 CarbonylContact C-O 3.44Å; A295-R314 VanDerWaalsContact CA-O 3.27Å; A295-R314 WeakPolarHBondContact CA-O 2.86Å; A295-Q315 HydrophobicContact CB-CB 4.04Å; A295-Q315 HydrophobicContact CB-CG 4.02Å |
| 296 | I | 95.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.5 | 169.9 | -54.6 | 170.8 | 0 | 0 | 0 | 107.5 | T39 F48 L53 V288 C313 R314 | T39-I296 HydrophobicContact CG2-CD1 3.63Å; T39-I296 HydrophobicContact CG2-CG1 4.05Å; F48-I296 HydrophobicContact CD2-CD1 3.54Å; F48-I296 HydrophobicContact CE2-CD1 3.48Å; F48-I296 VanDerWaalsContact CE2-CD1 3.48Å; F48-I296 HydrophobicContact CG-CD1 4.3Å; F48-I296 HydrophobicContact CZ-CD1 4.2Å; L53-I296 HydrophobicContact CD2-CG2 4.29Å; V288-I296 HydrophobicContact CG1-CG2 4.41Å; I296-C313 CarbonylContact O-C 3.54Å; I296-C313 VanDerWaalsContact O-CA 3.31Å; I296-C313 WeakPolarHBondContact O-CA 3.45Å; I296-R314 PolarHBondContact N-O 2.88Å; I296-R314 PolarHBondContact O-N 3.2Å |
| 297 | K | 95.3 | Very high | 87.7 | Confident | 24 Ų | 24 | 31 Ų | 31 | 10% | 0.104 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.7 | -178 | -65.4 | -179 | -176.7 | -180 | 0 | 110.5 | A270 V288 T289 W299 L310 C313 | A270-K297 WeakPolarHBondContact O-CD 3.43Å; A270-K297 WeakPolarHBondContact O-CE 3.35Å; A270-K297 PolarHBondContact O-NZ 3.49Å; V288-K297 WeakPolarHBondContact CA-O 3.19Å; T289-K297 PolarHBondContact N-O 3.5Å; T289-K297 PolarHBondContact O-N 2.81Å; K297-W299 HydrophobicContact CB-CZ2 4.15Å; K297-W299 HydrophobicContact CD-CH2 4.48Å; K297-W299 HydrophobicContact CD-CZ2 3.76Å; K297-L310 HydrophobicContact CB-CD1 3.77Å; K297-L310 HydrophobicContact CD-CD1 4.2Å; K297-L310 HydrophobicContact CG-CD1 4.03Å; K297-C313 HydrophobicContact CG-CB 4.03Å |
| 298 | V | 95.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.8 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | V50 L53 L286 L287 V288 L311 R312 | V50-V298 HydrophobicContact CG1-CG1 4.41Å; V50-V298 HydrophobicContact CG1-CG2 4.24Å; L53-V298 HydrophobicContact CD1-CG2 3.88Å; L53-V298 HydrophobicContact CD2-CG2 3.84Å; L53-V298 HydrophobicContact CG-CG2 4.06Å; L286-V298 HydrophobicContact CB-CG1 4.48Å; L286-V298 HydrophobicContact CD1-CG1 4.48Å; L286-V298 HydrophobicContact CD2-CG1 4.24Å; L287-V298 WeakPolarHBondContact O-CA 3.31Å; V288-V298 HydrophobicContact CG2-CG2 4.33Å; V298-L311 HydrophobicContact CG1-CD2 4.46Å; V298-L311 WeakPolarHBondContact O-CA 3.14Å; V298-L311 WeakPolarHBondContact O-CB 3.44Å; V298-L311 PolarHBondContact O-N 2.82Å; V298-R312 HydrophobicContact CB-CB 4.38Å; V298-R312 PolarHBondContact N-O 2.92Å; V298-R312 PolarHBondContact O-N 3.36Å |
| 299 | W | 94.4 | Very high | 87 | Confident | 20 Ų | 20 | 37 Ų | 37 | 8% | 0.076 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 141.4 | -178.6 | -48.5 | 82.9 | 0 | 0 | 0 | 109.8 | A270 L286 L287 T289 K297 F301 A308 R309 L310 | A270-W299 HydrophobicContact CB-CH2 4.12Å; A270-W299 HydrophobicContact CB-CZ2 3.82Å; L286-W299 VanDerWaalsContact CA-O 3.32Å; L286-W299 WeakPolarHBondContact CA-O 3.42Å; L287-W299 HydrophobicContact CB-CB 4.3Å; L287-W299 PolarHBondContact N-O 3.09Å; L287-W299 PolarHBondContact O-N 2.83Å; T289-W299 PolarHBondContact OG1-NE1 3.36Å; K297-W299 HydrophobicContact CB-CZ2 4.15Å; K297-W299 HydrophobicContact CD-CH2 4.48Å; K297-W299 HydrophobicContact CD-CZ2 3.76Å; W299-F301 HydrophobicContact CB-CE2 4.48Å; W299-A308 HydrophobicContact CB-CB 4Å; W299-A308 HydrophobicContact CE3-CB 4.23Å; W299-R309 CarbonylContact C-O 3.59Å; W299-R309 VanDerWaalsContact CA-O 3.27Å; W299-R309 WeakPolarHBondContact CA-O 3.44Å; W299-L310 HydrophobicContact CD2-CD1 4.19Å; W299-L310 HydrophobicContact CE3-CB 4.07Å; W299-L310 HydrophobicContact CE3-CD1 4.26Å; W299-L310 HydrophobicContact CH2-CD1 4.34Å; W299-L310 HydrophobicContact CZ2-CD1 4.26Å; W299-L310 HydrophobicContact CZ3-CB 3.98Å; W299-L310 HydrophobicContact CZ3-CD1 4.35Å |
| 300 | I | 93.6 | Very high | 86.8 | Confident | 30 Ų | 30 | 40.5 Ų | 40.5 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 143.4 | 176 | -171.4 | 167.9 | 0 | 0 | 0 | 110.4 | P285 L286 R309 L311 | P285-I300 WeakPolarHBondContact O-CA 3.24Å; L286-I300 HydrophobicContact CD2-CB 3.77Å; L286-I300 HydrophobicContact CD2-CD1 4.24Å; L286-I300 HydrophobicContact CD2-CG1 3.88Å; I300-R309 HydrophobicContact CG2-CB 4.03Å; I300-R309 HydrophobicContact CG2-CG 4.43Å; I300-R309 PolarHBondContact N-O 3.46Å; I300-R309 PolarHBondContact O-N 2.93Å; I300-L311 HydrophobicContact CB-CB 4.11Å; I300-L311 HydrophobicContact CB-CD2 4.34Å; I300-L311 HydrophobicContact CD1-CD1 4.4Å; I300-L311 HydrophobicContact CD1-CD2 4.43Å; I300-L311 HydrophobicContact CG2-CB 3.95Å; I300-L311 HydrophobicContact CG2-CD1 4.13Å; I300-L311 HydrophobicContact CG2-CG 4.48Å |
| 301 | F | 90 | Very high | 86.7 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | trans | -110.8 | 95 | 177.5 | -62.2 | -97.3 | 0 | 0 | 0 | 108.9 | L255 F280 P285 L287 W299 A308 | L255-F301 HydrophobicContact CD1-CE1 3.61Å; L255-F301 HydrophobicContact CD1-CZ 4.3Å; L255-F301 HydrophobicContact CD2-CE1 3.74Å; L255-F301 HydrophobicContact CD2-CZ 3.88Å; L255-F301 HydrophobicContact CG-CE1 4.32Å; F280-F301 HydrophobicContact CD1-CE2 4.45Å; F280-F301 AromaticContact CE1-CD2 3.99Å; F280-F301 HydrophobicContact CE1-CD2 3.99Å; F280-F301 AromaticContact CE1-CE2 3.46Å; F280-F301 HydrophobicContact CE1-CE2 3.46Å; F280-F301 VanDerWaalsContact CE1-CE2 3.46Å; F280-F301 AromaticContact CE1-CZ 3.83Å; F280-F301 HydrophobicContact CE1-CZ 3.83Å; F280-F301 HydrophobicContact CZ-CE2 4.08Å; F280-F301 AromaticContact CZ-CZ 3.96Å; F280-F301 HydrophobicContact CZ-CZ 3.96Å; P285-F301 HydrophobicContact CB-CB 4.32Å; P285-F301 WeakPolarHBondContact O-CD2 2.99Å; P285-F301 PolarHBondContact O-N 3.36Å; P285-F301 VanDerWaalsContact O-N 3.12Å; L287-F301 HydrophobicContact CB-CE2 3.6Å; L287-F301 HydrophobicContact CB-CZ 4.14Å; L287-F301 HydrophobicContact CD2-CE2 4.41Å; L287-F301 HydrophobicContact CD2-CZ 4.1Å; W299-F301 HydrophobicContact CB-CE2 4.48Å; F301-A308 HydrophobicContact CD1-CB 4.13Å; F301-A308 HydrophobicContact CE1-CB 3.52Å; F301-A308 HydrophobicContact CE2-CB 4.2Å; F301-A308 HydrophobicContact CZ-CB 3.55Å | ||
| 302 | D | 81.1 | Confident | 86.6 | Confident | 92 Ų | 92 | 47 Ų | 47 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | trans | -75.4 | -35.1 | -173.8 | -63.7 | -40.9 | 0 | 0 | 0 | 112.5 | R309 | D302-R309 IonicContact OD1-NH2 2.85Å; D302-R309 PolarHBondContact OD1-NH2 2.91Å; D302-R309 VanDerWaalsContact OD1-NH2 3.11Å; D302-R309 IonicContact OD2-CZ 3.94Å; D302-R309 IonicContact OD2-NE 3.8Å; D302-R309 PolarHBondContact OD2-NE 2.86Å; D302-R309 IonicContact OD2-NH2 2.75Å; D302-R309 PolarHBondContact OD2-NH2 3.35Å; D302-R309 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 303 | Q | 76.8 | Confident | 86.7 | Confident | 138 Ų | 138 | 48.2 Ų | 48.2 | 65% | 0.645 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -136 | 151 | -177.2 | -68.5 | -178.7 | -4.6 | 0 | 0 | 111.8 | G305 S306 | Q303-G305 PolarHBondContact O-N 3.33Å; Q303-S306 PolarHBondContact O-N 3.18Å |
| 304 | E | 67.5 | Low | 86.8 | Confident | 164 Ų | 164 | 50.4 Ų | 50.4 | 77% | 0.766 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 121.1 | 170.8 | -65.3 | 176.6 | 178.4 | 0 | 0 | 109.7 | P241 S306 | P241-E304 HydrophobicContact CG-CG 4.17Å; E304-S306 VanDerWaalsContact C-N 3.34Å; E304-S306 PolarHBondContact O-N 2.97Å |
| 305 | G | 63.3 | Low | 86.7 | Confident | 52 Ų | 52 | 51.9 Ų | 51.9 | 54% | 0.536 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -8.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q303 | Q303-G305 PolarHBondContact O-N 3.33Š|
| 306 | S | 69.5 | Low | 86.6 | Confident | 59 Ų | 59 | 51.9 Ų | 51.9 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 146.1 | 171.9 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | Q303 E304 | Q303-S306 PolarHBondContact O-N 3.18Å; E304-S306 VanDerWaalsContact C-N 3.34Å; E304-S306 PolarHBondContact O-N 2.97Å |
| 307 | G | 77.5 | Confident | 86.5 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 151.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R309 | G307-R309 PolarHBondContact O-N 2.9Š|
| 308 | A | 86.4 | Confident | 86.3 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 130.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L255 Q267 W299 F301 | L255-A308 HydrophobicContact CD1-CB 4.24Å; Q267-A308 HydrophobicContact CG-CB 4.42Å; Q267-A308 PolarHBondContact NE2-O 2.85Å; W299-A308 HydrophobicContact CB-CB 4Å; W299-A308 HydrophobicContact CE3-CB 4.23Å; F301-A308 HydrophobicContact CD1-CB 4.13Å; F301-A308 HydrophobicContact CE1-CB 3.52Å; F301-A308 HydrophobicContact CE2-CB 4.2Å; F301-A308 HydrophobicContact CZ-CB 3.55Å |
| 309 | R | 90.6 | Very high | 86 | Confident | 118 Ų | 118 | 53.3 Ų | 53.3 | 45% | 0.445 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 137.1 | 172.9 | 175.4 | 171.9 | 63.9 | 88.8 | -3.1 | 109.7 | W299 I300 D302 G307 L311 | W299-R309 CarbonylContact C-O 3.59Å; W299-R309 VanDerWaalsContact CA-O 3.27Å; W299-R309 WeakPolarHBondContact CA-O 3.44Å; I300-R309 HydrophobicContact CG2-CB 4.03Å; I300-R309 HydrophobicContact CG2-CG 4.43Å; I300-R309 PolarHBondContact N-O 3.46Å; I300-R309 PolarHBondContact O-N 2.93Å; D302-R309 IonicContact OD1-NH2 2.85Å; D302-R309 PolarHBondContact OD1-NH2 2.91Å; D302-R309 VanDerWaalsContact OD1-NH2 3.11Å; D302-R309 IonicContact OD2-CZ 3.94Å; D302-R309 IonicContact OD2-NE 3.8Å; D302-R309 PolarHBondContact OD2-NE 2.86Å; D302-R309 IonicContact OD2-NH2 2.75Å; D302-R309 PolarHBondContact OD2-NH2 3.35Å; D302-R309 VanDerWaalsContact OD2-NH2 3.15Å; G307-R309 PolarHBondContact O-N 2.9Å; R309-L311 PolarHBondContact O-N 3.4Å |
| 310 | L | 91.6 | Very high | 85.9 | Confident | 72 Ų | 72 | 53.1 Ų | 53.1 | 38% | 0.377 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 115.8 | 172.4 | -174.9 | 66.1 | 0 | 0 | 0 | 109.7 | K297 W299 R312 C313 | K297-L310 HydrophobicContact CB-CD1 3.77Å; K297-L310 HydrophobicContact CD-CD1 4.2Å; K297-L310 HydrophobicContact CG-CD1 4.03Å; W299-L310 HydrophobicContact CD2-CD1 4.19Å; W299-L310 HydrophobicContact CE3-CB 4.07Å; W299-L310 HydrophobicContact CE3-CD1 4.26Å; W299-L310 HydrophobicContact CH2-CD1 4.34Å; W299-L310 HydrophobicContact CZ2-CD1 4.26Å; W299-L310 HydrophobicContact CZ3-CB 3.98Å; W299-L310 HydrophobicContact CZ3-CD1 4.35Å; L310-R312 WeakPolarHBondContact CD1-O 3.46Å; L310-C313 HydrophobicContact CD1-CB 4.31Å; L310-C313 HydrophobicContact CD2-CB 4.19Å |
| 311 | L | 92.7 | Very high | 86 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -49.7 | 178.8 | -175.3 | 67.5 | 0 | 0 | 0 | 110.9 | L286 V298 I300 R309 | L286-L311 HydrophobicContact CD2-CD2 3.75Å; V298-L311 HydrophobicContact CG1-CD2 4.46Å; V298-L311 WeakPolarHBondContact O-CA 3.14Å; V298-L311 WeakPolarHBondContact O-CB 3.44Å; V298-L311 PolarHBondContact O-N 2.82Å; I300-L311 HydrophobicContact CB-CB 4.11Å; I300-L311 HydrophobicContact CB-CD2 4.34Å; I300-L311 HydrophobicContact CD1-CD1 4.4Å; I300-L311 HydrophobicContact CD1-CD2 4.43Å; I300-L311 HydrophobicContact CG2-CB 3.95Å; I300-L311 HydrophobicContact CG2-CD1 4.13Å; I300-L311 HydrophobicContact CG2-CG 4.48Å; R309-L311 PolarHBondContact O-N 3.4Å |
| 312 | R | 91.9 | Very high | 86.1 | Confident | 86 Ų | 86 | 52.7 Ų | 52.7 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 149.5 | -179.2 | -56.8 | 178 | -170.4 | 111.2 | 6.2 | 109.9 | V50 S51 L53 V298 L310 | V50-R312 PolarHBondContact O-NH1 3.38Å; V50-R312 VanDerWaalsContact O-NH1 3.09Å; S51-R312 PolarHBondContact O-NE 3.4Å; S51-R312 VanDerWaalsContact O-NE 3.13Å; S51-R312 PolarHBondContact O-NH1 3.24Å; S51-R312 PolarHBondContact O-NH2 3.43Å; S51-R312 VanDerWaalsContact O-NH2 3.12Å; L53-R312 HydrophobicContact CD1-CB 3.47Å; L53-R312 VanDerWaalsContact CD1-CB 3.47Å; L53-R312 HydrophobicContact CG-CB 4.08Å; V298-R312 HydrophobicContact CB-CB 4.38Å; V298-R312 PolarHBondContact N-O 2.92Å; V298-R312 PolarHBondContact O-N 3.36Å; L310-R312 WeakPolarHBondContact CD1-O 3.46Å |
| 313 | C | 91.8 | Very high | 86.7 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 41% | 0.405 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 146.8 | 170.8 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | I296 K297 L310 | I296-C313 CarbonylContact O-C 3.54Å; I296-C313 VanDerWaalsContact O-CA 3.31Å; I296-C313 WeakPolarHBondContact O-CA 3.45Å; K297-C313 HydrophobicContact CG-CB 4.03Å; L310-C313 HydrophobicContact CD1-CB 4.31Å; L310-C313 HydrophobicContact CD2-CB 4.19Å |
| 314 | R | 91.8 | Very high | 87.6 | Confident | 47 Ų | 47 | 42.6 Ų | 42.6 | 18% | 0.177 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.1 | 161.3 | -70.2 | -67.4 | 179.9 | -168.1 | -7 | 106.5 | Y18 L53 A295 I296 E351 | Y18-R314 HydrophobicContact CD1-CB 4.17Å; Y18-R314 HydrophobicContact CE1-CB 4.41Å; Y18-R314 HydrophobicContact CG-CB 4.31Å; L53-R314 HydrophobicContact CB-CG 3.85Å; L53-R314 HydrophobicContact CD1-CG 4.26Å; L53-R314 PolarHBondContact O-NE 2.96Å; L53-R314 PolarHBondContact O-NH2 2.92Å; A295-R314 CarbonylContact C-O 3.44Å; A295-R314 VanDerWaalsContact CA-O 3.27Å; A295-R314 WeakPolarHBondContact CA-O 2.86Å; I296-R314 PolarHBondContact N-O 2.88Å; I296-R314 PolarHBondContact O-N 3.2Å; R314-E351 PolarHBondContact NH1-O 3.36Å |
| 315 | Q | 91 | Very high | 88.8 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 15% | 0.145 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 132.1 | -177.2 | 176.1 | 162.7 | 28.6 | 0 | 0 | 108.6 | Y18 N294 A295 Q344 | Y18-Q315 WeakPolarHBondContact CE2-O 3.5Å; N294-Q315 WeakPolarHBondContact O-CA 3.49Å; A295-Q315 HydrophobicContact CB-CB 4.04Å; A295-Q315 HydrophobicContact CB-CG 4.02Å; Q315-Q344 PolarHBondContact O-OE1 3.38Å |
| 316 | G | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -101.4 | -161.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y18 N294 Q344 | Y18-G316 VanDerWaalsContact CD2-N 3.28Å; Y18-G316 VanDerWaalsContact CE2-N 3.31Å; N294-G316 PolarHBondContact O-N 3.36Å; G316-Q344 PolarHBondContact O-NE2 2.94Å | ||
| 317 | H | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -71.7 | 136.4 | 170.1 | -72.4 | -64.1 | 0 | 0 | 0 | 110.2 | N294 A319 S336 G338 D340 S342 F346 | N294-H317 WeakPolarHBondContact CB-O 3.4Å; N294-H317 PolarHBondContact ND2-O 3.35Å; N294-H317 VanDerWaalsContact ND2-O 3.14Å; H317-A319 WeakPolarHBondContact CB-O 3.36Å; H317-S336 PolarHBondContact CE1-O 3.36Å; H317-S336 WeakPolarHBondContact NE2-CB 3.38Å; H317-S336 PolarHBondContact NE2-O 2.88Å; H317-S336 PolarHBondContact NE2-OG 3.11Å; H317-S336 VanDerWaalsContact NE2-OG 3.12Å; H317-G338 PolarHBondContact CE1-N 3.05Å; H317-G338 VanDerWaalsContact CE1-N 3.33Å; H317-D340 IonicContact ND1-OD1 2.82Å; H317-S342 PolarHBondContact CE1-OG 3.45Å; H317-S342 PolarHBondContact ND1-OG 2.65Å; H317-F346 AromaticContact CD2-CE2 3.65Å; H317-F346 AromaticContact CD2-CZ 3.8Å; H317-F346 AromaticContact NE2-CE2 3.63Å; H317-F346 AromaticContact NE2-CZ 4Å | ||
| 318 | S | 90.6 | Very high | 91.9 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 22% | 0.217 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -89.5 | -7.9 | 174.7 | 78.8 | 0 | 0 | 0 | 0 | 113.1 | R272 D340 | R272-S318 WeakPolarHBondContact CD-OG 3.42Å; R272-S318 PolarHBondContact NH1-OG 3.17Å; S318-D340 PolarHBondContact OG-OD2 3.13Å |
| 319 | A | 90.8 | Very high | 92 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -143.8 | 155.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | H317 Q339 D340 L626 | H317-A319 WeakPolarHBondContact CB-O 3.36Å; A319-Q339 HydrophobicContact CB-CB 3.89Å; A319-D340 HydrophobicContact CB-CB 4.06Å; A319-L626 VanDerWaalsContact C-CD2 3.47Å |
| 320 | P | 92.8 | Very high | 91.9 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 10% | 0.104 | 20% | 0.202 | C | C | . | . | trans | -52.5 | 145.5 | -172.7 | -30 | 36.4 | 0 | 0 | 0 | 114.3 | Q339 S625 | P320-Q339 WeakPolarHBondContact O-CB 3.38Å; P320-Q339 VanDerWaalsContact O-CG 3.31Å; P320-Q339 WeakPolarHBondContact O-CG 3.33Å; P320-Q339 PolarHBondContact O-N 3.5Å; P320-S625 VanDerWaalsContact CA-O 3.28Å; P320-S625 WeakPolarHBondContact CA-O 3.41Å; P320-S625 VanDerWaalsContact CB-O 3.26Å; P320-S625 WeakPolarHBondContact CB-O 3.19Å | ||
| 321 | P | 94.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 135.7 | 176.4 | 26.1 | -28.6 | 0 | 0 | 0 | 111.3 | I324 S336 A337 A621 S625 | P321-I324 HydrophobicContact CB-CG2 4.45Å; P321-S336 WeakPolarHBondContact CB-OG 3.35Å; P321-A337 CarbonylContact C-O 3.53Å; P321-A337 VanDerWaalsContact CA-O 3.32Å; P321-A337 WeakPolarHBondContact CA-O 3.48Å; P321-A621 HydrophobicContact CB-CB 4.29Å; P321-A621 HydrophobicContact CG-CB 3.74Å; P321-S625 WeakPolarHBondContact CD-O 3.44Å |
| 322 | T | 92.8 | Very high | 91.6 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 17% | 0.166 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -35.1 | 176.5 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | A337 Q339 A383 V384 V607 | T322-A337 PolarHBondContact N-O 3.08Å; T322-A337 PolarHBondContact OG1-O 3.42Å; T322-A337 VanDerWaalsContact OG1-O 3.12Å; T322-Q339 HydrophobicContact CG2-CB 4.29Å; T322-Q339 HydrophobicContact CG2-CG 3.43Å; T322-Q339 VanDerWaalsContact CG2-CG 3.43Å; T322-A383 HydrophobicContact CG2-CB 4.43Å; T322-V384 WeakPolarHBondContact CB-O 3.46Å; T322-V384 PolarHBondContact OG1-O 3.26Å; T322-V607 WeakPolarHBondContact O-CG1 3.35Å |
| 323 | T | 92.9 | Very high | 91.8 | Very high | 18 Ų | 18 | 34 Ų | 34 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 145.2 | -175.7 | 47.8 | 0 | 0 | 0 | 0 | 110 | A337 T385 L387 | T323-A337 PolarHBondContact O-N 2.87Å; T323-T385 WeakPolarHBondContact CG2-O 3.36Å; T323-L387 WeakPolarHBondContact OG1-CD2 3.32Å |
| 324 | I | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 139.4 | 177.5 | 56.5 | 167.9 | 0 | 0 | 0 | 110.3 | P321 I334 L335 G608 A619 A621 V628 | P321-I324 HydrophobicContact CB-CG2 4.45Å; I324-I334 HydrophobicContact CB-CG2 4.3Å; I324-L335 CarbonylContact C-O 3.58Å; I324-L335 WeakPolarHBondContact CA-O 3.33Å; I324-G608 WeakPolarHBondContact CD1-O 3.39Å; I324-A619 HydrophobicContact CD1-CB 4.02Å; I324-A619 VanDerWaalsContact CD1-O 3.31Å; I324-A619 WeakPolarHBondContact CD1-O 3.35Å; I324-A621 HydrophobicContact CD1-CB 3.97Å; I324-A621 HydrophobicContact CG1-CB 4.21Å; I324-A621 HydrophobicContact CG2-CB 3.94Å; I324-V628 HydrophobicContact CD1-CG1 4.21Å; I324-V628 HydrophobicContact CG2-CG1 4.45Å; I324-V628 HydrophobicContact CG2-CG2 3.99Å |
| 325 | H | 93.9 | Very high | 92.1 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 132.7 | 176 | -64 | -83.3 | 0 | 0 | 0 | 110.6 | L335 L387 | H325-L335 PolarHBondContact N-O 2.59Å; H325-L335 PolarHBondContact O-N 3.17Å; H325-L387 HydrophobicContact CB-CD1 3.98Å; H325-L387 WeakPolarHBondContact CD2-CD1 3.44Å; H325-L387 WeakPolarHBondContact CD2-CG 3.23Å |
| 326 | H | 94.7 | Very high | 92.4 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 8% | 0.083 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 139 | 166.5 | -75.2 | 90 | 0 | 0 | 0 | 110.8 | S610 M611 S612 P613 | H326-S610 PolarHBondContact CE1-O 3.3Å; H326-S610 PolarHBondContact N-OG 3.46Å; H326-S610 WeakPolarHBondContact ND1-CB 3.44Å; H326-S610 PolarHBondContact ND1-O 3.43Å; H326-S610 PolarHBondContact ND1-OG 2.89Å; H326-M611 VanDerWaalsContact ND1-C 3.29Å; H326-M611 PolarHBondContact ND1-O 3.5Å; H326-M611 VanDerWaalsContact ND1-O 3.13Å; H326-S612 PolarHBondContact CE1-N 2.93Å; H326-S612 VanDerWaalsContact CE1-N 3.33Å; H326-S612 PolarHBondContact ND1-N 2.95Å; H326-P613 HydrophobicContact CB-CG 4.33Å |
| 327 | H | 92.5 | Very high | 92.5 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | trans | -119.7 | 112.3 | -176.2 | -177.2 | 70.6 | 0 | 0 | 0 | 111.4 | N333 L335 S389 Q394 Y415 | H327-N333 PolarHBondContact N-O 2.95Å; H327-L335 HydrophobicContact CB-CD1 3.8Å; H327-L335 HydrophobicContact CB-CG 3.76Å; H327-S389 WeakPolarHBondContact ND1-CB 3.34Å; H327-S389 PolarHBondContact ND1-OG 3.35Å; H327-Q394 PolarHBondContact NE2-OE1 3.19Å; H327-Y415 AromaticContact CD2-CD1 3.85Å; H327-Y415 AromaticContact CD2-CD2 3.82Å; H327-Y415 AromaticContact CD2-CE1 3.71Å; H327-Y415 AromaticContact CD2-CE2 3.67Å; H327-Y415 AromaticContact CD2-CG 3.9Å; H327-Y415 AromaticContact CD2-CZ 3.62Å; H327-Y415 AromaticContact NE2-CD1 3.5Å; H327-Y415 WeakPolarHBondContact NE2-CD1 3.34Å; H327-Y415 AromaticContact NE2-CD2 3.75Å; H327-Y415 AromaticContact NE2-CE1 3.86Å; H327-Y415 AromaticContact NE2-CG 3.44Å | ||
| 328 | G | 88.3 | Confident | 92.4 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 17% | 0.165 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 86.7 | 164 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D330 P613 | G328-D330 VanDerWaalsContact C-N 3.26Å; G328-D330 PolarHBondContact O-N 3.01Å; G328-P613 WeakPolarHBondContact O-CG 3.41Å |
| 329 | N | 87.9 | Confident | 92.4 | Very high | 139 Ų | 139 | 31.2 Ų | 31.2 | 74% | 0.743 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -14.4 | -171.5 | -60.9 | 3.9 | 0 | 0 | 0 | 112.7 | G331 | N329-G331 VanDerWaalsContact C-N 3.29Å; N329-G331 PolarHBondContact O-N 2.89Å |
| 330 | D | 87.6 | Confident | 92.2 | Very high | 108 Ų | 108 | 31.3 Ų | 31.3 | 58% | 0.578 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -15 | -177.7 | -70.4 | 16 | 0 | 0 | 0 | 114.2 | G328 K332 | G328-D330 VanDerWaalsContact C-N 3.26Å; G328-D330 PolarHBondContact O-N 3.01Å; D330-K332 HydrophobicContact CB-CB 4.4Å; D330-K332 HydrophobicContact CB-CD 4.1Å; D330-K332 HydrophobicContact CB-CG 4.14Å; D330-K332 PolarHBondContact O-N 3.24Å; D330-K332 VanDerWaalsContact O-N 3.13Å; D330-K332 IonicContact OD2-NZ 3.76Å |
| 331 | G | 87.7 | Confident | 91.9 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 70.2 | 4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N329 T348 S612 | N329-G331 VanDerWaalsContact C-N 3.29Å; N329-G331 PolarHBondContact O-N 2.89Å; G331-T348 PolarHBondContact O-OG1 2.86Å; G331-S612 WeakPolarHBondContact CA-OG 3.4Å |
| 332 | K | 91.9 | Very high | 91.7 | Very high | 101 Ų | 101 | 30.6 Ų | 30.6 | 44% | 0.439 | 16% | 0.159 | S | C | . | . | trans | -85.5 | -19.8 | -170.6 | -70.6 | 173.2 | -171.4 | 160.5 | 0 | 115.6 | D330 S347 T348 V349 | D330-K332 HydrophobicContact CB-CB 4.4Å; D330-K332 HydrophobicContact CB-CD 4.1Å; D330-K332 HydrophobicContact CB-CG 4.14Å; D330-K332 PolarHBondContact O-N 3.24Å; D330-K332 VanDerWaalsContact O-N 3.13Å; D330-K332 IonicContact OD2-NZ 3.76Å; K332-S347 CarbonylContact O-C 3.54Å; K332-S347 WeakPolarHBondContact O-CA 3.18Å; K332-S347 PolarHBondContact O-OG 2.73Å; K332-T348 WeakPolarHBondContact CA-OG1 3.46Å; K332-T348 PolarHBondContact O-N 2.9Å; K332-T348 PolarHBondContact O-OG1 2.8Å; K332-V349 HydrophobicContact CB-CG2 4.41Å; K332-V349 HydrophobicContact CD-CG2 4.33Å; K332-V349 HydrophobicContact CG-CG2 3.96Å | ||
| 333 | N | 94.6 | Very high | 91.7 | Very high | 38 Ų | 38 | 29.3 Ų | 29.3 | 20% | 0.203 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.2 | -171 | -59.8 | -44.7 | 0 | 0 | 0 | 110.5 | H327 F346 Y415 | H327-N333 PolarHBondContact N-O 2.95Å; N333-F346 CarbonylContact C-O 3.59Å; N333-F346 WeakPolarHBondContact CA-O 3.49Å; N333-Y415 WeakPolarHBondContact CB-OH 3.45Å; N333-Y415 PolarHBondContact ND2-OH 3.43Å; N333-Y415 VanDerWaalsContact ND2-OH 3.11Å |
| 334 | I | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.1 | 177.6 | -61.3 | 164.1 | 0 | 0 | 0 | 107.5 | L15 I324 S345 F346 T348 A619 L630 | L15-I334 HydrophobicContact CD1-CD1 4.06Å; I324-I334 HydrophobicContact CB-CG2 4.3Å; I334-S345 CarbonylContact O-C 3.58Å; I334-S345 VanDerWaalsContact O-CA 3.3Å; I334-S345 WeakPolarHBondContact O-CA 3.5Å; I334-F346 PolarHBondContact N-O 2.94Å; I334-F346 PolarHBondContact O-N 2.95Å; I334-T348 HydrophobicContact CD1-CG2 3.69Å; I334-T348 HydrophobicContact CG1-CG2 4.22Å; I334-A619 HydrophobicContact CD1-CB 3.8Å; I334-L630 HydrophobicContact CD1-CD2 3.65Å |
| 335 | L | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 127.6 | 168.2 | -73.3 | 172.1 | 0 | 0 | 0 | 108.9 | I324 H325 H327 Q344 L387 V400 Y415 | I324-L335 CarbonylContact C-O 3.58Å; I324-L335 WeakPolarHBondContact CA-O 3.33Å; H325-L335 PolarHBondContact N-O 2.59Å; H325-L335 PolarHBondContact O-N 3.17Å; H327-L335 HydrophobicContact CB-CD1 3.8Å; H327-L335 HydrophobicContact CB-CG 3.76Å; L335-Q344 WeakPolarHBondContact CA-O 3.36Å; L335-L387 HydrophobicContact CB-CD1 4.47Å; L335-V400 HydrophobicContact CD1-CG2 3.89Å; L335-Y415 HydrophobicContact CD2-CD2 3.98Å; L335-Y415 HydrophobicContact CD2-CE2 3.89Å |
| 336 | S | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134 | 177.6 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | H317 P321 Q344 | H317-S336 PolarHBondContact CE1-O 3.36Å; H317-S336 WeakPolarHBondContact NE2-CB 3.38Å; H317-S336 PolarHBondContact NE2-O 2.88Å; H317-S336 PolarHBondContact NE2-OG 3.11Å; H317-S336 VanDerWaalsContact NE2-OG 3.12Å; P321-S336 WeakPolarHBondContact CB-OG 3.35Å; S336-Q344 PolarHBondContact N-O 3.45Å; S336-Q344 PolarHBondContact O-N 3.02Å |
| 337 | A | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | P321 T322 T323 S342 L343 V384 L387 | P321-A337 CarbonylContact C-O 3.53Å; P321-A337 VanDerWaalsContact CA-O 3.32Å; P321-A337 WeakPolarHBondContact CA-O 3.48Å; T322-A337 PolarHBondContact N-O 3.08Å; T322-A337 PolarHBondContact OG1-O 3.42Å; T322-A337 VanDerWaalsContact OG1-O 3.12Å; T323-A337 PolarHBondContact O-N 2.87Å; A337-S342 WeakPolarHBondContact CA-O 3.45Å; A337-L343 HydrophobicContact CB-CD1 3.95Å; A337-V384 HydrophobicContact CB-CB 3.64Å; A337-V384 HydrophobicContact CB-CG1 3.96Å; A337-V384 HydrophobicContact CB-CG2 4.07Å; A337-L387 HydrophobicContact CB-CD2 3.97Å |
| 338 | G | 90.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 157.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | H317 D340 G341 S342 | H317-G338 PolarHBondContact CE1-N 3.05Å; H317-G338 VanDerWaalsContact CE1-N 3.33Å; G338-D340 WeakPolarHBondContact CA-OD1 3.38Å; G338-D340 PolarHBondContact O-N 3.21Å; G338-G341 PolarHBondContact O-N 3.31Å; G338-S342 PolarHBondContact N-O 3.46Å |
| 339 | Q | 90 | Very high | 91.7 | Very high | 111 Ų | 111 | 29.1 Ų | 29.1 | 52% | 0.519 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.3 | 165.5 | -75.8 | -177.8 | 11.8 | 0 | 0 | 112.3 | A319 P320 T322 G341 A383 | A319-Q339 HydrophobicContact CB-CB 3.89Å; P320-Q339 WeakPolarHBondContact O-CB 3.38Å; P320-Q339 VanDerWaalsContact O-CG 3.31Å; P320-Q339 WeakPolarHBondContact O-CG 3.33Å; P320-Q339 PolarHBondContact O-N 3.5Å; T322-Q339 HydrophobicContact CG2-CB 4.29Å; T322-Q339 HydrophobicContact CG2-CG 3.43Å; T322-Q339 VanDerWaalsContact CG2-CG 3.43Å; Q339-G341 PolarHBondContact O-N 3.46Å; Q339-A383 WeakPolarHBondContact O-CB 3.39Å |
| 340 | D | 85.7 | Confident | 91.6 | Very high | 25 Ų | 25 | 27.5 Ų | 27.5 | 13% | 0.134 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -6.7 | 172.7 | 70.9 | -13.3 | 0 | 0 | 0 | 113.6 | R272 H317 S318 A319 G338 S342 H359 | R272-D340 IonicContact CZ-OD2 3.6Å; R272-D340 VanDerWaalsContact NH1-CB 3.29Å; R272-D340 IonicContact NH1-OD2 2.89Å; R272-D340 PolarHBondContact NH1-OD2 2.58Å; R272-D340 IonicContact NH2-OD2 3.58Å; H317-D340 IonicContact ND1-OD1 2.82Å; S318-D340 PolarHBondContact OG-OD2 3.13Å; A319-D340 HydrophobicContact CB-CB 4.06Å; G338-D340 WeakPolarHBondContact CA-OD1 3.38Å; G338-D340 PolarHBondContact O-N 3.21Å; D340-S342 VanDerWaalsContact C-N 3.3Å; D340-S342 VanDerWaalsContact OD1-CB 3.32Å; D340-S342 WeakPolarHBondContact OD1-CB 3.04Å; D340-S342 PolarHBondContact OD1-N 3.03Å; D340-S342 PolarHBondContact OD1-OG 3.04Å; D340-S342 PolarHBondContact OD2-OG 3.44Å; D340-H359 PolarHBondContact O-CE1 3.31Å; D340-H359 PolarHBondContact O-ND1 2.85Å; D340-H359 IonicContact OD2-CE1 3.63Å |
| 341 | G | 86.6 | Confident | 91.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 76.7 | 15.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G338 Q339 H359 | G338-G341 PolarHBondContact O-N 3.31Å; Q339-G341 PolarHBondContact O-N 3.46Å; G341-H359 PolarHBondContact O-ND1 2.89Å; G341-H359 VanDerWaalsContact O-ND1 3.12Å |
| 342 | S | 89.9 | Confident | 91.4 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 148.2 | 170.8 | 66.7 | 0 | 0 | 0 | 0 | 110.7 | H317 A337 G338 D340 H359 | H317-S342 PolarHBondContact CE1-OG 3.45Å; H317-S342 PolarHBondContact ND1-OG 2.65Å; A337-S342 WeakPolarHBondContact CA-O 3.45Å; G338-S342 PolarHBondContact N-O 3.46Å; D340-S342 VanDerWaalsContact C-N 3.3Å; D340-S342 VanDerWaalsContact OD1-CB 3.32Å; D340-S342 WeakPolarHBondContact OD1-CB 3.04Å; D340-S342 PolarHBondContact OD1-N 3.03Å; D340-S342 PolarHBondContact OD1-OG 3.04Å; D340-S342 PolarHBondContact OD2-OG 3.44Å; S342-H359 VanDerWaalsContact CB-CE1 3.43Å; S342-H359 WeakPolarHBondContact CB-CE1 3.35Å; S342-H359 PolarHBondContact N-CE1 3.23Å; S342-H359 VanDerWaalsContact N-CE1 3.26Å; S342-H359 PolarHBondContact N-ND1 2.95Å |
| 343 | L | 93.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.6 | 168.9 | -176.2 | 72.6 | 0 | 0 | 0 | 108.3 | A337 M357 G358 L387 V400 W413 | A337-L343 HydrophobicContact CB-CD1 3.95Å; L343-M357 HydrophobicContact CB-CB 4.09Å; L343-M357 HydrophobicContact CB-CG 4.42Å; L343-M357 HydrophobicContact CD2-CB 4.23Å; L343-M357 HydrophobicContact CD2-CE 4.45Å; L343-M357 HydrophobicContact CD2-CG 4.08Å; L343-M357 HydrophobicContact CG-CB 4.27Å; L343-M357 HydrophobicContact CG-CG 4.08Å; L343-M357 WeakPolarHBondContact O-CA 3.12Å; L343-M357 WeakPolarHBondContact O-CB 3.4Å; L343-M357 PolarHBondContact O-N 2.84Å; L343-G358 PolarHBondContact N-O 2.99Å; L343-G358 VanDerWaalsContact N-O 3.15Å; L343-L387 HydrophobicContact CD1-CD2 4.41Å; L343-V400 HydrophobicContact CD2-CG1 4.18Å; L343-W413 HydrophobicContact CB-CH2 4.4Å; L343-W413 HydrophobicContact CB-CZ3 4.4Å; L343-W413 HydrophobicContact CD2-CB 4.28Å; L343-W413 HydrophobicContact CD2-CD2 3.91Å; L343-W413 HydrophobicContact CD2-CE3 4.09Å; L343-W413 HydrophobicContact CD2-CG 4Å |
| 344 | Q | 93.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 155.4 | -179.2 | -57.6 | -169.9 | 22.4 | 0 | 0 | 110.1 | Q315 G316 L335 S336 F346 K355 | Q315-Q344 PolarHBondContact O-OE1 3.38Å; G316-Q344 PolarHBondContact O-NE2 2.94Å; L335-Q344 WeakPolarHBondContact CA-O 3.36Å; S336-Q344 PolarHBondContact N-O 3.45Å; S336-Q344 PolarHBondContact O-N 3.02Å; Q344-F346 HydrophobicContact CB-CE1 4.41Å; Q344-F346 HydrophobicContact CB-CE2 4.13Å; Q344-F346 HydrophobicContact CB-CZ 3.91Å; Q344-F346 VanDerWaalsContact OE1-CZ 3.27Å; Q344-K355 WeakPolarHBondContact CA-O 3.37Å |
| 345 | S | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.4 | 170.5 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | I334 N354 K355 Y415 | I334-S345 CarbonylContact O-C 3.58Å; I334-S345 VanDerWaalsContact O-CA 3.3Å; I334-S345 WeakPolarHBondContact O-CA 3.5Å; S345-N354 CarbonylContact O-C 3.54Å; S345-N354 VanDerWaalsContact O-CA 3.23Å; S345-N354 WeakPolarHBondContact O-CA 3.49Å; S345-K355 PolarHBondContact N-O 3Å; S345-K355 PolarHBondContact O-N 3.24Å; S345-Y415 WeakPolarHBondContact OG-CE2 3.41Å; S345-Y415 PolarHBondContact OG-OH 3.19Å |
| 346 | F | 95 | Very high | 90.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.7 | 175.5 | -59.4 | -65.8 | 0 | 0 | 0 | 110 | L15 H317 N333 I334 Q344 N354 V628 | L15-F346 HydrophobicContact CB-CB 4.12Å; L15-F346 HydrophobicContact CB-CG 4.38Å; L15-F346 HydrophobicContact CD1-CB 3.87Å; H317-F346 AromaticContact CD2-CE2 3.65Å; H317-F346 AromaticContact CD2-CZ 3.8Å; H317-F346 AromaticContact NE2-CE2 3.63Å; H317-F346 AromaticContact NE2-CZ 4Å; N333-F346 CarbonylContact C-O 3.59Å; N333-F346 WeakPolarHBondContact CA-O 3.49Å; I334-F346 PolarHBondContact N-O 2.94Å; I334-F346 PolarHBondContact O-N 2.95Å; Q344-F346 HydrophobicContact CB-CE1 4.41Å; Q344-F346 HydrophobicContact CB-CE2 4.13Å; Q344-F346 HydrophobicContact CB-CZ 3.91Å; Q344-F346 VanDerWaalsContact OE1-CZ 3.27Å; F346-N354 WeakPolarHBondContact CA-OD1 3.46Å; F346-N354 HydrophobicContact CD1-CB 4.47Å; F346-V628 HydrophobicContact CD2-CG2 4.19Å; F346-V628 HydrophobicContact CE2-CG2 4.35Å |
| 347 | S | 93.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 135.9 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | R13 K332 V349 H350 N354 | R13-S347 PolarHBondContact NH2-O 2.82Å; R13-S347 VanDerWaalsContact NH2-O 3.15Å; K332-S347 CarbonylContact O-C 3.54Å; K332-S347 WeakPolarHBondContact O-CA 3.18Å; K332-S347 PolarHBondContact O-OG 2.73Å; S347-V349 PolarHBondContact O-N 2.85Å; S347-V349 PolarHBondContact OG-N 3.02Å; S347-H350 WeakPolarHBondContact CB-O 3.24Å; S347-N354 PolarHBondContact N-OD1 2.61Å |
| 348 | T | 91.4 | Very high | 89.9 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 7% | 0.067 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -75.9 | -13 | 172.6 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | R13 G331 K332 I334 L630 | R13-T348 PolarHBondContact NH1-O 3.46Å; R13-T348 PolarHBondContact NH2-O 2.74Å; G331-T348 PolarHBondContact O-OG1 2.86Å; K332-T348 WeakPolarHBondContact CA-OG1 3.46Å; K332-T348 PolarHBondContact O-N 2.9Å; K332-T348 PolarHBondContact O-OG1 2.8Å; I334-T348 HydrophobicContact CD1-CG2 3.69Å; I334-T348 HydrophobicContact CG1-CG2 4.22Å; T348-L630 HydrophobicContact CG2-CD1 4.14Å; T348-L630 HydrophobicContact CG2-CD2 4.33Å |
| 349 | V | 90 | Very high | 89.5 | Confident | 67 Ų | 67 | 39.7 Ų | 39.7 | 41% | 0.406 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -89.7 | -71.2 | 178.1 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | R13 K332 S347 | R13-V349 PolarHBondContact NH1-O 3.38Å; R13-V349 PolarHBondContact NH2-O 2.74Å; K332-V349 HydrophobicContact CB-CG2 4.41Å; K332-V349 HydrophobicContact CD-CG2 4.33Å; K332-V349 HydrophobicContact CG-CG2 3.96Å; S347-V349 PolarHBondContact O-N 2.85Å; S347-V349 PolarHBondContact OG-N 3.02Å |
| 350 | H | 86.8 | Confident | 88.7 | Confident | 105 Ų | 105 | 34.4 Ų | 34.4 | 49% | 0.486 | 17% | 0.167 | S | C | . | . | trans | -141.4 | 139.4 | -177.1 | -87.1 | -63.4 | 0 | 0 | 0 | 111.9 | S347 R352 F353 | S347-H350 WeakPolarHBondContact CB-O 3.24Å; H350-R352 HydrophobicContact CB-CG 4.07Å; H350-R352 PolarHBondContact O-N 2.99Å; H350-F353 HydrophobicContact CB-CD2 4.01Å; H350-F353 HydrophobicContact CB-CE2 4.29Å; H350-F353 PolarHBondContact O-N 2.82Å | ||
| 351 | E | 84.3 | Confident | 88.4 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -60.8 | -20.2 | 179.6 | -62.9 | -179.7 | 176.1 | 0 | 0 | 114.6 | R314 F353 N354 | R314-E351 PolarHBondContact NH1-O 3.36Å; E351-F353 PolarHBondContact O-N 3.38Å; E351-F353 VanDerWaalsContact O-N 3.14Å; E351-N354 WeakPolarHBondContact CA-ND2 3.02Å; E351-N354 WeakPolarHBondContact O-CB 3.34Å; E351-N354 PolarHBondContact O-N 2.76Å |
| 352 | R | 86.4 | Confident | 87.6 | Confident | 173 Ų | 173 | 36.6 Ų | 36.6 | 65% | 0.653 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -58.2 | -27.4 | 175.2 | 77.6 | -176.9 | -169.9 | 177.6 | 0.1 | 112.4 | H350 N354 | H350-R352 HydrophobicContact CB-CG 4.07Å; H350-R352 PolarHBondContact O-N 2.99Å; R352-N354 VanDerWaalsContact C-N 3.35Å |
| 353 | F | 89.2 | Confident | 86.4 | Confident | 94 Ų | 94 | 38.3 Ų | 38.3 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -90.3 | -0.7 | 179.6 | -59.9 | -63 | 0 | 0 | 0 | 113 | H350 E351 K355 | H350-F353 HydrophobicContact CB-CD2 4.01Å; H350-F353 HydrophobicContact CB-CE2 4.29Å; H350-F353 PolarHBondContact O-N 2.82Å; E351-F353 PolarHBondContact O-N 3.38Å; E351-F353 VanDerWaalsContact O-N 3.14Å; F353-K355 PolarHBondContact O-N 3.03Å |
| 354 | N | 92 | Very high | 85 | Confident | 22 Ų | 22 | 42.5 Ų | 42.5 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | trans | -62.2 | 134.4 | 174.1 | -64.1 | -7.4 | 0 | 0 | 0 | 109.2 | Y18 S345 F346 S347 E351 R352 | Y18-N354 PolarHBondContact OH-ND2 2.9Å; S345-N354 CarbonylContact O-C 3.54Å; S345-N354 VanDerWaalsContact O-CA 3.23Å; S345-N354 WeakPolarHBondContact O-CA 3.49Å; F346-N354 WeakPolarHBondContact CA-OD1 3.46Å; F346-N354 HydrophobicContact CD1-CB 4.47Å; S347-N354 PolarHBondContact N-OD1 2.61Å; E351-N354 WeakPolarHBondContact CA-ND2 3.02Å; E351-N354 WeakPolarHBondContact O-CB 3.34Å; E351-N354 PolarHBondContact O-N 2.76Å; R352-N354 VanDerWaalsContact C-N 3.35Å | ||
| 355 | K | 91.2 | Very high | 83.5 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.8 | -179.8 | -65 | 168.5 | 168.8 | -167.2 | 0 | 109 | Q344 S345 F353 Y415 | Q344-K355 WeakPolarHBondContact CA-O 3.37Å; S345-K355 PolarHBondContact N-O 3Å; S345-K355 PolarHBondContact O-N 3.24Å; F353-K355 PolarHBondContact O-N 3.03Å; K355-Y415 HydrophobicContact CD-CE1 4.4Å; K355-Y415 HydrophobicContact CD-CE2 4.35Å; K355-Y415 PolarHBondContact NZ-O 2.94Å |
| 356 | N | 91 | Very high | 81.8 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115.3 | 167.6 | -171.3 | -14.5 | 0 | 0 | 0 | 108.1 | G358 | N356-G358 WeakPolarHBondContact OD1-CA 3.19Å; N356-G358 PolarHBondContact OD1-N 3.44Å |
| 357 | M | 87.6 | Confident | 80.1 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -14.2 | 178.7 | -51.9 | -78.7 | -60.3 | 0 | 0 | 111.5 | L343 W413 N414 Y415 C418 | L343-M357 HydrophobicContact CB-CB 4.09Å; L343-M357 HydrophobicContact CB-CG 4.42Å; L343-M357 HydrophobicContact CD2-CB 4.23Å; L343-M357 HydrophobicContact CD2-CE 4.45Å; L343-M357 HydrophobicContact CD2-CG 4.08Å; L343-M357 HydrophobicContact CG-CB 4.27Å; L343-M357 HydrophobicContact CG-CG 4.08Å; L343-M357 WeakPolarHBondContact O-CA 3.12Å; L343-M357 WeakPolarHBondContact O-CB 3.4Å; L343-M357 PolarHBondContact O-N 2.84Å; M357-W413 HydrophobicContact CB-CE3 3.98Å; M357-W413 HydrophobicContact CB-CZ3 3.99Å; M357-W413 HydrophobicContact CE-CB 4.17Å; M357-W413 HydrophobicContact CE-CE3 4.39Å; M357-W413 WeakPolarHBondContact O-CZ3 3.27Å; M357-N414 WeakPolarHBondContact CE-O 3.29Å; M357-Y415 HydrophobicContact SD-CD2 4.31Å; M357-C418 VanDerWaalsContact SD-CA 3.6Å; M357-C418 HydrophobicContact SD-CB 4.17Å |
| 358 | G | 84.5 | Confident | 78.4 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 25% | 0.247 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.2 | -164.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L343 N356 | L343-G358 PolarHBondContact N-O 2.99Å; L343-G358 VanDerWaalsContact N-O 3.15Å; N356-G358 WeakPolarHBondContact OD1-CA 3.19Å; N356-G358 PolarHBondContact OD1-N 3.44Å |
| 359 | H | 82.2 | Confident | 76.6 | Confident | 40 Ų | 40 | 76.3 Ų | 76.3 | 19% | 0.185 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 146.8 | 175 | -79.2 | -78.7 | 0 | 0 | 0 | 111.8 | R272 D340 G341 S342 W413 | R272-H359 VanDerWaalsContact CZ-NE2 3.32Å; R272-H359 PolarHBondContact NH1-NE2 3.39Å; R272-H359 PolarHBondContact NH2-NE2 2.77Å; D340-H359 PolarHBondContact O-CE1 3.31Å; D340-H359 PolarHBondContact O-ND1 2.85Å; D340-H359 IonicContact OD2-CE1 3.63Å; G341-H359 PolarHBondContact O-ND1 2.89Å; G341-H359 VanDerWaalsContact O-ND1 3.12Å; S342-H359 VanDerWaalsContact CB-CE1 3.43Å; S342-H359 WeakPolarHBondContact CB-CE1 3.35Å; S342-H359 PolarHBondContact N-CE1 3.23Å; S342-H359 VanDerWaalsContact N-CE1 3.26Å; S342-H359 PolarHBondContact N-ND1 2.95Å; H359-W413 VanDerWaalsContact C-CH2 3.5Å |
| 360 | G | 74.4 | Confident | 74.9 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -72.6 | 133.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L381 W413 | G360-L381 WeakPolarHBondContact O-CB 3.23Å; G360-L381 PolarHBondContact O-N 2.86Å; G360-W413 VanDerWaalsContact N-CH2 3.29Å | ||
| 361 | S | 78.1 | Confident | 72.9 | Confident | 9 Ų | 9 | 84.9 Ų | 84.9 | 6% | 0.063 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -115.4 | 146.6 | 173.6 | 73.1 | 0 | 0 | 0 | 0 | 111.4 | S363 E367 M420 | S361-S363 PolarHBondContact O-N 2.84Å; S361-E367 WeakPolarHBondContact CB-OE2 3.47Å; S361-E367 PolarHBondContact OG-OE2 3.43Å; S361-M420 WeakPolarHBondContact O-CE 3.36Å |
| 362 | I | 70.9 | Confident | 70.9 | Confident | 62 Ų | 62 | 94.3 Ų | 94.3 | 32% | 0.318 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -63.6 | -32.3 | -178.5 | -68.8 | 169.1 | 0 | 0 | 0 | 111.2 | L379 L381 | I362-L379 PolarHBondContact N-O 3.28Å; I362-L381 HydrophobicContact CB-CD2 4.49Å; I362-L381 HydrophobicContact CG1-CD2 3.58Å; I362-L381 HydrophobicContact CG1-CG 4.4Å |
| 363 | S | 65 | Low | 69.2 | Low | 36 Ų | 36 | 90 Ų | 90 | 25% | 0.252 | 44% | 0.436 | S | S | . | . | trans | -164.8 | 117.1 | 172.1 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | S361 K365 K366 E367 | S361-S363 PolarHBondContact O-N 2.84Å; S363-K365 PolarHBondContact O-N 2.84Å; S363-K365 VanDerWaalsContact O-N 3.13Å; S363-K365 PolarHBondContact OG-N 3.49Å; S363-K366 PolarHBondContact O-N 3.33Å; S363-K366 VanDerWaalsContact O-N 3.07Å; S363-E367 PolarHBondContact O-N 3Å | ||
| 364 | K | 64.2 | Low | 67.4 | Low | 90 Ų | 90 | 90.5 Ų | 90.5 | 39% | 0.391 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.5 | -30 | 173.4 | -67.8 | -175.4 | -178.1 | 174.2 | 0 | 113.3 | K368 M420 | K364-K368 WeakPolarHBondContact O-CB 3.34Å; K364-K368 WeakPolarHBondContact O-CG 3.45Å; K364-K368 PolarHBondContact O-N 2.48Å; K364-M420 HydrophobicContact CD-CE 4.43Å; K364-M420 HydrophobicContact CG-CE 4.06Å; K364-M420 PolarHBondContact NZ-O 3.48Å |
| 365 | K | 61.7 | Low | 65.6 | Low | 173 Ų | 173 | 91.9 Ų | 91.9 | 75% | 0.752 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.1 | -35.9 | 178.6 | -73.7 | -175.5 | -179.8 | 177.7 | 0 | 112.5 | S363 K369 | S363-K365 PolarHBondContact O-N 2.84Å; S363-K365 VanDerWaalsContact O-N 3.13Å; S363-K365 PolarHBondContact OG-N 3.49Å; K365-K369 WeakPolarHBondContact O-CB 3.38Å; K365-K369 WeakPolarHBondContact O-CG 3.33Å; K365-K369 PolarHBondContact O-N 2.86Å |
| 366 | K | 58.7 | Low | 63.9 | Low | 140 Ų | 140 | 94.7 Ų | 94.7 | 61% | 0.609 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -76.3 | -37.4 | 176.8 | -69.6 | -174.9 | 177.6 | -178.5 | 0 | 111.3 | S363 K369 L379 | S363-K366 PolarHBondContact O-N 3.33Å; S363-K366 VanDerWaalsContact O-N 3.07Å; K366-K369 PolarHBondContact O-N 2.97Å; K366-L379 HydrophobicContact CB-CD2 4.46Å |
| 367 | E | 58.4 | Low | 62.4 | Low | 63 Ų | 63 | 97.3 Ų | 97.3 | 29% | 0.294 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.4 | -50.1 | 173.5 | -170.3 | 178.4 | -178.5 | 0 | 0 | 111.8 | S361 S363 K369 K370 Y376 | S361-E367 WeakPolarHBondContact CB-OE2 3.47Å; S361-E367 PolarHBondContact OG-OE2 3.43Å; S363-E367 PolarHBondContact O-N 3Å; E367-K369 VanDerWaalsContact C-N 3.27Å; E367-K369 PolarHBondContact O-N 2.98Å; E367-K370 PolarHBondContact O-N 3.17Å; E367-Y376 HydrophobicContact CG-CE2 4.43Å |
| 368 | K | 57.9 | Low | 61.3 | Low | 181 Ų | 181 | 102.7 Ų | 102.7 | 79% | 0.787 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -27.7 | 177.3 | -76 | -175.7 | 177.9 | -170.1 | 0 | 114 | K364 K370 | K364-K368 WeakPolarHBondContact O-CB 3.34Å; K364-K368 WeakPolarHBondContact O-CG 3.45Å; K364-K368 PolarHBondContact O-N 2.48Å; K368-K370 VanDerWaalsContact C-N 3.31Å; K368-K370 PolarHBondContact O-N 3.07Å |
| 369 | K | 54.8 | Low | 60.7 | Low | 171 Ų | 171 | 103 Ų | 103 | 74% | 0.743 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 2.2 | -175.6 | -84.3 | -170.9 | 176.1 | -170.7 | 0 | 114.7 | K365 K366 E367 K371 | K365-K369 WeakPolarHBondContact O-CB 3.38Å; K365-K369 WeakPolarHBondContact O-CG 3.33Å; K365-K369 PolarHBondContact O-N 2.86Å; K366-K369 PolarHBondContact O-N 2.97Å; E367-K369 VanDerWaalsContact C-N 3.27Å; E367-K369 PolarHBondContact O-N 2.98Å; K369-K371 PolarHBondContact O-N 3.32Å |
| 370 | K | 53.9 | Low | 60.4 | Low | 187 Ų | 187 | 104.2 Ų | 104.2 | 81% | 0.813 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 29.8 | 60 | 177.6 | -74.8 | -172.5 | 177 | -179 | 0 | 111.7 | E367 K368 K372 | E367-K370 PolarHBondContact O-N 3.17Å; K368-K370 VanDerWaalsContact C-N 3.31Å; K368-K370 PolarHBondContact O-N 3.07Å; K370-K372 PolarHBondContact O-N 2.9Å |
| 371 | K | 43.8 | Very low | 60.8 | Low | 165 Ų | 165 | 104.4 Ų | 104.4 | 72% | 0.717 | 50% | 0.501 | S | S | * | . | trans | -60.2 | 113.6 | 174.9 | -105.5 | -168.3 | 173.6 | -168.6 | 0 | 106.3 | K369 G373 L374 | K369-K371 PolarHBondContact O-N 3.32Å; K371-G373 PolarHBondContact O-N 3.29Å; K371-L374 PolarHBondContact O-N 2.79Å | ||
| 372 | K | 42.8 | Very low | 61.3 | Low | 219 Ų | 219 | 106.7 Ų | 106.7 | 95% | 0.952 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 112.5 | 175.6 | -76.1 | -179.1 | 173.2 | -178 | 0 | 108 | K370 | K370-K372 PolarHBondContact O-N 2.9Š|
| 373 | G | 50.5 | Low | 62.3 | Low | 83 Ų | 83 | 104.5 Ų | 104.5 | 86% | 0.856 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.3 | -15.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | K371 | K371-G373 PolarHBondContact O-N 3.29Š|
| 374 | L | 51.9 | Low | 63.6 | Low | 105 Ų | 105 | 102.8 Ų | 102.8 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | trans | -95.3 | 131.3 | 175.1 | -73.6 | 158.3 | 0 | 0 | 0 | 110.5 | K371 E378 | K371-L374 PolarHBondContact O-N 2.79Å; L374-E378 WeakPolarHBondContact CD2-OE2 3.29Å | ||
| 375 | A | 54 | Low | 64.9 | Low | 50 Ų | 50 | 101.2 Ų | 101.2 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | trans | -71.5 | 145.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E377 E378 | A375-E377 PolarHBondContact O-N 2.96Å; A375-E377 VanDerWaalsContact O-N 3.11Å; A375-E378 HydrophobicContact CB-CG 4.17Å; A375-E378 PolarHBondContact N-OE2 3.21Å; A375-E378 VanDerWaalsContact N-OE2 3.1Å; A375-E378 PolarHBondContact O-N 3.01Å; A375-E378 VanDerWaalsContact O-N 3.11Å | ||
| 376 | Y | 55.7 | Low | 66.3 | Low | 118 Ų | 118 | 94.6 Ų | 94.6 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -57.6 | -28 | -179.2 | -179.8 | -123.1 | 0 | 0 | 0 | 112.9 | E367 | E367-Y376 HydrophobicContact CG-CE2 4.43Š|
| 377 | E | 60.3 | Low | 68 | Low | 122 Ų | 122 | 88.1 Ų | 88.1 | 57% | 0.57 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -72.1 | -32.3 | 179.7 | -65.4 | 176.9 | 172.1 | 0 | 0 | 113 | A375 L379 R380 | A375-E377 PolarHBondContact O-N 2.96Å; A375-E377 VanDerWaalsContact O-N 3.11Å; E377-L379 PolarHBondContact O-N 2.76Å; E377-R380 PolarHBondContact O-N 2.86Å |
| 378 | E | 64 | Low | 69.7 | Low | 118 Ų | 118 | 85.7 Ų | 85.7 | 55% | 0.551 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -69.8 | -15.6 | -179.3 | -63.4 | 173.2 | 155.6 | 0 | 0 | 113.1 | L374 A375 | L374-E378 WeakPolarHBondContact CD2-OE2 3.29Å; A375-E378 HydrophobicContact CB-CG 4.17Å; A375-E378 PolarHBondContact N-OE2 3.21Å; A375-E378 VanDerWaalsContact N-OE2 3.1Å; A375-E378 PolarHBondContact O-N 3.01Å; A375-E378 VanDerWaalsContact O-N 3.11Å |
| 379 | L | 70.4 | Confident | 71.4 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 16% | 0.162 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -94.8 | -5.4 | 179.6 | -67.6 | 172.4 | 0 | 0 | 0 | 113.6 | I362 K366 E377 | I362-L379 PolarHBondContact N-O 3.28Å; K366-L379 HydrophobicContact CB-CD2 4.46Å; E377-L379 PolarHBondContact O-N 2.76Å |
| 380 | R | 76.6 | Confident | 73.1 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 25% | 0.245 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -79.8 | 149.6 | -179.3 | -67.2 | -174.4 | 179.4 | 176.4 | 5.3 | 111.8 | E377 | E377-R380 PolarHBondContact O-N 2.86Å |
| 381 | L | 83.6 | Confident | 74.9 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 144.8 | 169.8 | -66.3 | 177 | 0 | 0 | 0 | 110.1 | G360 I362 H404 R407 M420 | G360-L381 WeakPolarHBondContact O-CB 3.23Å; G360-L381 PolarHBondContact O-N 2.86Å; I362-L381 HydrophobicContact CB-CD2 4.49Å; I362-L381 HydrophobicContact CG1-CD2 3.58Å; I362-L381 HydrophobicContact CG1-CG 4.4Å; L381-H404 WeakPolarHBondContact CD1-NE2 3.31Å; L381-R407 VanDerWaalsContact CD2-CZ 3.49Å; L381-M420 HydrophobicContact CD1-SD 4.41Å |
| 382 | P | 88.6 | Confident | 77.1 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 37% | 0.37 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 172.4 | 176 | 28.1 | -30.8 | 0 | 0 | 0 | 111.1 | H404 R405 | P382-H404 HydrophobicContact CG-CB 4.06Å; P382-H404 PolarHBondContact O-ND1 2.84Å; P382-R405 HydrophobicContact CB-CB 4.42Å; P382-R405 VanDerWaalsContact CG-O 3.25Å; P382-R405 WeakPolarHBondContact CG-O 3.43Å |
| 383 | A | 90.6 | Very high | 79.3 | Confident | 16 Ų | 16 | 56 Ų | 56 | 13% | 0.132 | 32% | 0.315 | C | S | . | . | trans | -44.5 | 140 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T322 Q339 H404 R405 | T322-A383 HydrophobicContact CG2-CB 4.43Å; Q339-A383 WeakPolarHBondContact O-CB 3.39Å; A383-H404 WeakPolarHBondContact O-CA 3.45Å; A383-R405 PolarHBondContact O-N 2.8Å | ||
| 384 | V | 92.6 | Very high | 81.1 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133.3 | 172 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | T322 A337 L387 A402 L403 | T322-V384 WeakPolarHBondContact CB-O 3.46Å; T322-V384 PolarHBondContact OG1-O 3.26Å; A337-V384 HydrophobicContact CB-CB 3.64Å; A337-V384 HydrophobicContact CB-CG1 3.96Å; A337-V384 HydrophobicContact CB-CG2 4.07Å; V384-L387 HydrophobicContact CG1-CB 4.27Å; V384-A402 HydrophobicContact CG1-CB 3.91Å; V384-A402 HydrophobicContact CG2-CB 4.16Å; V384-L403 CarbonylContact C-O 3.58Å; V384-L403 VanDerWaalsContact CA-O 3.31Å; V384-L403 WeakPolarHBondContact CA-O 3.36Å |
| 385 | T | 91.2 | Very high | 82.8 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -38.8 | -178.6 | 49 | 0 | 0 | 0 | 0 | 112.1 | T323 L403 R405 | T323-T385 WeakPolarHBondContact CG2-O 3.36Å; T385-L403 PolarHBondContact N-O 3.27Å; T385-L403 PolarHBondContact OG1-O 2.91Å; T385-L403 VanDerWaalsContact OG1-O 3.09Å; T385-R405 HydrophobicContact CG2-CB 3.8Å; T385-R405 HydrophobicContact CG2-CG 4.31Å |
| 386 | V | 91.8 | Very high | 84.5 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 20% | 0.2 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 141.5 | 177.1 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | L403 V439 | V386-L403 HydrophobicContact CB-CD1 4.33Å; V386-L403 PolarHBondContact O-N 3.31Å; V386-V439 HydrophobicContact CB-CG1 4.35Å; V386-V439 HydrophobicContact CG1-CG1 3.83Å |
| 387 | L | 94 | Very high | 86.1 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.7 | 173.7 | 72.3 | 93.1 | 0 | 0 | 0 | 110.6 | T323 H325 L335 A337 L343 V384 V401 | T323-L387 WeakPolarHBondContact OG1-CD2 3.32Å; H325-L387 HydrophobicContact CB-CD1 3.98Å; H325-L387 WeakPolarHBondContact CD2-CD1 3.44Å; H325-L387 WeakPolarHBondContact CD2-CG 3.23Å; L335-L387 HydrophobicContact CB-CD1 4.47Å; A337-L387 HydrophobicContact CB-CD2 3.97Å; L343-L387 HydrophobicContact CD1-CD2 4.41Å; V384-L387 HydrophobicContact CG1-CB 4.27Å; L387-V401 WeakPolarHBondContact CA-O 3.24Å |
| 388 | A | 93.8 | Very high | 87.7 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 145 | 171 | 0 | 0 | 0 | 0 | 0 | 108.9 | V400 V401 V439 I441 | A388-V400 WeakPolarHBondContact O-CA 3.35Å; A388-V401 PolarHBondContact N-O 2.75Å; A388-V401 PolarHBondContact O-N 3.37Å; A388-V439 HydrophobicContact CB-CG1 4.07Å; A388-V439 HydrophobicContact CB-CG2 4.29Å; A388-I441 HydrophobicContact CB-CD1 4.08Å; A388-I441 HydrophobicContact CB-CG1 3.87Å; A388-I441 VanDerWaalsContact O-CD1 3.29Å; A388-I441 WeakPolarHBondContact O-CD1 3.4Å |
| 389 | S | 93.9 | Very high | 88.9 | Confident | 32 Ų | 32 | 40.5 Ų | 40.5 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 145.4 | -179 | 80.3 | 0 | 0 | 0 | 0 | 112.3 | H327 G399 | H327-S389 WeakPolarHBondContact ND1-CB 3.34Å; H327-S389 PolarHBondContact ND1-OG 3.35Å; S389-G399 WeakPolarHBondContact CA-O 3.3Å |
| 390 | A | 92.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 39 Ų | 39 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | trans | -137.5 | 140.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G399 I441 | A390-G399 PolarHBondContact N-O 3.49Å; A390-I441 HydrophobicContact CB-CB 4.27Å; A390-I441 HydrophobicContact CB-CG2 3.62Å | ||
| 391 | V | 91.1 | Very high | 91 | Very high | 50 Ų | 50 | 36 Ų | 36 | 30% | 0.303 | 21% | 0.206 | S | C | . | . | trans | -101.3 | -20.6 | -172.8 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | R393 Q394 | V391-R393 VanDerWaalsContact C-N 3.28Å; V391-R393 PolarHBondContact O-N 2.73Å; V391-R393 VanDerWaalsContact O-N 3.12Å; V391-Q394 HydrophobicContact CG1-CG 4.47Å; V391-Q394 WeakPolarHBondContact O-CG 2.98Å; V391-Q394 PolarHBondContact O-N 2.88Å | ||
| 392 | T | 90.3 | Very high | 91.5 | Very high | 89 Ų | 89 | 35.8 Ų | 35.8 | 55% | 0.546 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -34 | -170.7 | 45.4 | 0 | 0 | 0 | 0 | 114.9 | S443 C444 G445 | T392-S443 WeakPolarHBondContact CG2-O 3.43Å; T392-S443 PolarHBondContact OG1-O 3.38Å; T392-C444 VanDerWaalsContact OG1-C 3.27Å; T392-C444 PolarHBondContact OG1-O 2.83Å; T392-G445 PolarHBondContact OG1-N 3.43Å |
| 393 | R | 89.3 | Confident | 91.8 | Very high | 119 Ų | 119 | 33 Ų | 33 | 45% | 0.449 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 22.5 | -176.4 | -65.4 | -70.2 | -176.5 | 177.2 | -4 | 113.9 | V391 S395 D396 W397 C444 | V391-R393 VanDerWaalsContact C-N 3.28Å; V391-R393 PolarHBondContact O-N 2.73Å; V391-R393 VanDerWaalsContact O-N 3.12Å; R393-S395 PolarHBondContact O-N 3.48Å; R393-S395 VanDerWaalsContact O-N 3.15Å; R393-D396 VanDerWaalsContact CD-OD2 3.32Å; R393-D396 WeakPolarHBondContact CD-OD2 3.42Å; R393-D396 IonicContact CZ-OD2 3.99Å; R393-D396 IonicContact NH1-OD2 3.64Å; R393-D396 PolarHBondContact NH1-OD2 2.92Å; R393-D396 PolarHBondContact O-N 2.84Å; R393-W397 HydrophobicContact CB-CD2 4.29Å; R393-W397 HydrophobicContact CB-CH2 3.94Å; R393-W397 HydrophobicContact CB-CZ2 3.37Å; R393-W397 HydrophobicContact CG-CH2 3.75Å; R393-W397 HydrophobicContact CG-CZ2 3.44Å; R393-W397 VanDerWaalsContact CG-CZ2 3.44Å; R393-W397 PolarHBondContact O-N 3.09Å; R393-C444 WeakPolarHBondContact CG-O 3.43Å |
| 394 | Q | 86.5 | Confident | 91.8 | Very high | 47 Ų | 47 | 32.3 Ų | 32.3 | 22% | 0.22 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.7 | -174.2 | 69.8 | 178.3 | -11.5 | 0 | 0 | 114.8 | H327 V391 | H327-Q394 PolarHBondContact NE2-OE1 3.19Å; V391-Q394 HydrophobicContact CG1-CG 4.47Å; V391-Q394 WeakPolarHBondContact O-CG 2.98Å; V391-Q394 PolarHBondContact O-N 2.88Å |
| 395 | S | 88.3 | Confident | 91.8 | Very high | 81 Ų | 81 | 41.3 Ų | 41.3 | 57% | 0.566 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -34.7 | 174.1 | 51 | 0 | 0 | 0 | 0 | 112.3 | R393 | R393-S395 PolarHBondContact O-N 3.48Å; R393-S395 VanDerWaalsContact O-N 3.15Å |
| 396 | D | 89.4 | Confident | 91.6 | Very high | 83 Ų | 83 | 41.6 Ų | 41.6 | 44% | 0.444 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -42.3 | -165.9 | -57 | -12.8 | 0 | 0 | 0 | 110.2 | R393 | R393-D396 VanDerWaalsContact CD-OD2 3.32Å; R393-D396 WeakPolarHBondContact CD-OD2 3.42Å; R393-D396 IonicContact CZ-OD2 3.99Å; R393-D396 IonicContact NH1-OD2 3.64Å; R393-D396 PolarHBondContact NH1-OD2 2.92Å; R393-D396 PolarHBondContact O-N 2.84Å |
| 397 | W | 90.6 | Very high | 91.4 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -149.7 | -171.8 | 177.2 | 55.5 | 80.5 | 0 | 0 | 0 | 112.6 | R393 G399 N414 G445 N446 Q463 | R393-W397 HydrophobicContact CB-CD2 4.29Å; R393-W397 HydrophobicContact CB-CH2 3.94Å; R393-W397 HydrophobicContact CB-CZ2 3.37Å; R393-W397 HydrophobicContact CG-CH2 3.75Å; R393-W397 HydrophobicContact CG-CZ2 3.44Å; R393-W397 VanDerWaalsContact CG-CZ2 3.44Å; R393-W397 PolarHBondContact O-N 3.09Å; W397-G399 PolarHBondContact O-N 3.09Å; W397-N414 PolarHBondContact O-ND2 3.28Å; W397-G445 PolarHBondContact NE1-O 2.99Å; W397-N446 WeakPolarHBondContact CH2-OD1 3.43Å; W397-N446 WeakPolarHBondContact CZ2-OD1 3.45Å; W397-Q463 HydrophobicContact CD2-CB 4.06Å; W397-Q463 HydrophobicContact CD2-CG 4.31Å; W397-Q463 HydrophobicContact CE3-CB 4.09Å; W397-Q463 HydrophobicContact CE3-CG 3.87Å; W397-Q463 HydrophobicContact CG-CB 4.42Å; W397-Q463 HydrophobicContact CZ3-CG 4.27Å |
| 398 | D | 92.3 | Very high | 91.2 | Very high | 18 Ų | 18 | 44 Ų | 44 | 10% | 0.096 | 24% | 0.236 | C | C | . | . | trans | -67.1 | 121.2 | -177.4 | -59.1 | -26.5 | 0 | 0 | 0 | 111.1 | T412 W413 G421 A422 | D398-T412 WeakPolarHBondContact OD2-CB 3.38Å; D398-T412 PolarHBondContact OD2-OG1 3.34Å; D398-W413 CarbonylContact C-O 3.59Å; D398-G421 WeakPolarHBondContact OD2-CA 3.33Å; D398-A422 PolarHBondContact OD2-N 3.26Å | ||
| 399 | G | 91.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | trans | -103.5 | -0.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S389 A390 W397 W413 | S389-G399 WeakPolarHBondContact CA-O 3.3Å; A390-G399 PolarHBondContact N-O 3.49Å; W397-G399 PolarHBondContact O-N 3.09Å; G399-W413 PolarHBondContact N-O 2.81Å; G399-W413 VanDerWaalsContact N-O 3.13Å | ||
| 400 | V | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 135.3 | -179.3 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | L335 L343 A388 T412 W413 | L335-V400 HydrophobicContact CD1-CG2 3.89Å; L343-V400 HydrophobicContact CD2-CG1 4.18Å; A388-V400 WeakPolarHBondContact O-CA 3.35Å; V400-T412 CarbonylContact O-C 3.6Å; V400-T412 WeakPolarHBondContact O-CA 3.5Å; V400-W413 HydrophobicContact CB-CB 3.99Å; V400-W413 HydrophobicContact CG1-CB 4.3Å; V400-W413 PolarHBondContact N-O 3.11Å; V400-W413 VanDerWaalsContact N-O 3.09Å; V400-W413 PolarHBondContact O-N 2.93Å |
| 401 | V | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.3 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | L387 A388 A410 S411 T412 V439 I441 A448 L462 | L387-V401 WeakPolarHBondContact CA-O 3.24Å; A388-V401 PolarHBondContact N-O 2.75Å; A388-V401 PolarHBondContact O-N 3.37Å; V401-A410 HydrophobicContact CG1-CB 3.91Å; V401-S411 WeakPolarHBondContact CA-O 3.48Å; V401-T412 HydrophobicContact CG2-CG2 4.45Å; V401-V439 HydrophobicContact CB-CG2 4.07Å; V401-V439 HydrophobicContact CG1-CG2 3.77Å; V401-I441 HydrophobicContact CB-CD1 4.13Å; V401-I441 HydrophobicContact CB-CG1 4.45Å; V401-I441 HydrophobicContact CG2-CD1 3.73Å; V401-I441 HydrophobicContact CG2-CG1 4.06Å; V401-A448 HydrophobicContact CG2-CB 4.09Å; V401-L462 HydrophobicContact CG2-CD2 3.69Å |
| 402 | A | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | V384 S411 | V384-A402 HydrophobicContact CG1-CB 3.91Å; V384-A402 HydrophobicContact CG2-CB 4.16Å; A402-S411 PolarHBondContact N-O 3.2Å; A402-S411 PolarHBondContact O-N 3.08Å; A402-S411 PolarHBondContact O-OG 2.9Å |
| 403 | L | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.7 | 174.4 | -57.8 | -171.3 | 0 | 0 | 0 | 110.2 | V384 T385 V386 A410 A436 V439 I450 | V384-L403 CarbonylContact C-O 3.58Å; V384-L403 VanDerWaalsContact CA-O 3.31Å; V384-L403 WeakPolarHBondContact CA-O 3.36Å; T385-L403 PolarHBondContact N-O 3.27Å; T385-L403 PolarHBondContact OG1-O 2.91Å; T385-L403 VanDerWaalsContact OG1-O 3.09Å; V386-L403 HydrophobicContact CB-CD1 4.33Å; V386-L403 PolarHBondContact O-N 3.31Å; L403-A410 HydrophobicContact CD2-CB 3.42Å; L403-A410 VanDerWaalsContact CD2-CB 3.42Å; L403-A436 HydrophobicContact CD1-CB 4.01Å; L403-A436 HydrophobicContact CD2-CB 3.73Å; L403-A436 HydrophobicContact CG-CB 4.35Å; L403-V439 HydrophobicContact CD1-CB 3.9Å; L403-V439 HydrophobicContact CD1-CG1 3.91Å; L403-V439 HydrophobicContact CD2-CB 4.29Å; L403-V439 HydrophobicContact CD2-CG1 4.48Å; L403-V439 HydrophobicContact CG-CB 4.01Å; L403-V439 HydrophobicContact CG-CG1 3.79Å; L403-I450 HydrophobicContact CD2-CG2 4.37Å |
| 404 | H | 92.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 144.6 | -176.2 | -63.1 | -85.7 | 0 | 0 | 0 | 111.8 | L381 P382 A383 G406 R407 S411 | L381-H404 WeakPolarHBondContact CD1-NE2 3.31Å; P382-H404 HydrophobicContact CG-CB 4.06Å; P382-H404 PolarHBondContact O-ND1 2.84Å; A383-H404 WeakPolarHBondContact O-CA 3.45Å; H404-G406 PolarHBondContact O-N 2.95Å; H404-R407 HydrophobicContact CB-CB 4.25Å; H404-R407 PolarHBondContact O-N 2.83Å; H404-R407 VanDerWaalsContact O-N 3.13Å; H404-S411 PolarHBondContact NE2-OG 3.32Å |
| 405 | R | 91.1 | Very high | 91.5 | Very high | 189 Ų | 189 | 28.5 Ų | 28.5 | 71% | 0.713 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | 126.7 | -178.5 | -170.7 | 175.7 | 179.5 | 173.8 | 0.2 | 111.7 | P382 A383 T385 R407 | P382-R405 HydrophobicContact CB-CB 4.42Å; P382-R405 VanDerWaalsContact CG-O 3.25Å; P382-R405 WeakPolarHBondContact CG-O 3.43Å; A383-R405 PolarHBondContact O-N 2.8Å; T385-R405 HydrophobicContact CG2-CB 3.8Å; T385-R405 HydrophobicContact CG2-CG 4.31Å; R405-R407 PolarHBondContact O-N 2.82Å |
| 406 | G | 87.9 | Confident | 91.6 | Very high | 63 Ų | 63 | 31.1 Ų | 31.1 | 65% | 0.649 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 11.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H404 | H404-G406 PolarHBondContact O-N 2.95Š|
| 407 | R | 88.2 | Confident | 91.6 | Very high | 65 Ų | 65 | 35.5 Ų | 35.5 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | trans | -115.2 | 144.1 | -178.1 | -131.1 | -167.6 | -171.9 | -155.6 | 3.7 | 112.7 | L381 H404 R405 A436 | L381-R407 VanDerWaalsContact CD2-CZ 3.49Å; H404-R407 HydrophobicContact CB-CB 4.25Å; H404-R407 PolarHBondContact O-N 2.83Å; H404-R407 VanDerWaalsContact O-N 3.13Å; R405-R407 PolarHBondContact O-N 2.82Å; R407-A436 PolarHBondContact O-N 2.85Å | ||
| 408 | L | 88.3 | Confident | 91.6 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 12% | 0.12 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -82 | -31.2 | 173.7 | -171 | 57.3 | 0 | 0 | 0 | 113.3 | P427 V430 A434 | L408-P427 HydrophobicContact CD1-CG 4.09Å; L408-P427 HydrophobicContact CD2-CG 3.73Å; L408-P427 HydrophobicContact CG-CG 3.9Å; L408-V430 HydrophobicContact CD2-CG1 4.34Å; L408-A434 WeakPolarHBondContact CB-O 3.42Å; L408-A434 HydrophobicContact CD1-CB 3.75Å; L408-A434 HydrophobicContact CD2-CB 4.18Å |
| 409 | A | 88.6 | Confident | 91.4 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 13% | 0.132 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 126.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L425 K426 | A409-L425 WeakPolarHBondContact CA-O 3.49Å; A409-K426 HydrophobicContact CB-CB 4.43Å |
| 410 | A | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 145 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V401 L403 H424 L425 I450 | V401-A410 HydrophobicContact CG1-CB 3.91Å; L403-A410 HydrophobicContact CD2-CB 3.42Å; L403-A410 VanDerWaalsContact CD2-CB 3.42Å; A410-H424 CarbonylContact O-C 3.51Å; A410-H424 WeakPolarHBondContact O-CA 3.4Å; A410-L425 HydrophobicContact CB-CB 4.28Å; A410-L425 PolarHBondContact N-O 3.17Å; A410-L425 PolarHBondContact O-N 2.87Å; A410-I450 HydrophobicContact CB-CD1 3.63Å |
| 411 | S | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 142.3 | 173.9 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | V401 A402 H404 W413 | V401-S411 WeakPolarHBondContact CA-O 3.48Å; A402-S411 PolarHBondContact N-O 3.2Å; A402-S411 PolarHBondContact O-N 3.08Å; A402-S411 PolarHBondContact O-OG 2.9Å; H404-S411 PolarHBondContact NE2-OG 3.32Å; S411-W413 PolarHBondContact OG-NE1 3.46Å |
| 412 | T | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 153.2 | 170.9 | 64.5 | 0 | 0 | 0 | 0 | 110.3 | D398 V400 V401 G421 H423 L425 L462 | D398-T412 WeakPolarHBondContact OD2-CB 3.38Å; D398-T412 PolarHBondContact OD2-OG1 3.34Å; V400-T412 CarbonylContact O-C 3.6Å; V400-T412 WeakPolarHBondContact O-CA 3.5Å; V401-T412 HydrophobicContact CG2-CG2 4.45Å; T412-G421 VanDerWaalsContact O-CA 3.31Å; T412-G421 WeakPolarHBondContact O-CA 3.43Å; T412-G421 PolarHBondContact O-N 3.01Å; T412-H423 HydrophobicContact CG2-CB 4.04Å; T412-H423 PolarHBondContact N-O 3.34Å; T412-H423 PolarHBondContact OG1-N 2.8Å; T412-H423 PolarHBondContact OG1-O 3.45Å; T412-L425 HydrophobicContact CG2-CD1 4.05Å; T412-L425 HydrophobicContact CG2-CG 4.1Å; T412-L462 HydrophobicContact CG2-CD2 4.1Å |
| 413 | W | 93.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 143.6 | -177.4 | -61.6 | 77.7 | 0 | 0 | 0 | 111.3 | L343 M357 H359 G360 D398 G399 V400 S411 M420 | L343-W413 HydrophobicContact CB-CH2 4.4Å; L343-W413 HydrophobicContact CB-CZ3 4.4Å; L343-W413 HydrophobicContact CD2-CB 4.28Å; L343-W413 HydrophobicContact CD2-CD2 3.91Å; L343-W413 HydrophobicContact CD2-CE3 4.09Å; L343-W413 HydrophobicContact CD2-CG 4Å; M357-W413 HydrophobicContact CB-CE3 3.98Å; M357-W413 HydrophobicContact CB-CZ3 3.99Å; M357-W413 HydrophobicContact CE-CB 4.17Å; M357-W413 HydrophobicContact CE-CE3 4.39Å; M357-W413 WeakPolarHBondContact O-CZ3 3.27Å; H359-W413 VanDerWaalsContact C-CH2 3.5Å; G360-W413 VanDerWaalsContact N-CH2 3.29Å; D398-W413 CarbonylContact C-O 3.59Å; G399-W413 PolarHBondContact N-O 2.81Å; G399-W413 VanDerWaalsContact N-O 3.13Å; V400-W413 HydrophobicContact CB-CB 3.99Å; V400-W413 HydrophobicContact CG1-CB 4.3Å; V400-W413 PolarHBondContact N-O 3.11Å; V400-W413 VanDerWaalsContact N-O 3.09Å; V400-W413 PolarHBondContact O-N 2.93Å; S411-W413 PolarHBondContact OG-NE1 3.46Å; W413-M420 HydrophobicContact CD2-CB 4.13Å; W413-M420 HydrophobicContact CD2-CG 4.26Å; W413-M420 VanDerWaalsContact CE3-CA 3.48Å; W413-M420 HydrophobicContact CE3-CB 3.86Å; W413-M420 HydrophobicContact CE3-CG 4.48Å; W413-M420 HydrophobicContact CH2-CB 4.2Å; W413-M420 HydrophobicContact CZ2-CB 4.39Å; W413-M420 HydrophobicContact CZ2-CG 4.29Å; W413-M420 HydrophobicContact CZ3-CB 3.9Å |
| 414 | N | 92.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.1 | 177.8 | -169.4 | -69.3 | 0 | 0 | 0 | 111.1 | M357 W397 H416 R417 C418 T419 | M357-N414 WeakPolarHBondContact CE-O 3.29Å; W397-N414 PolarHBondContact O-ND2 3.28Å; N414-H416 PolarHBondContact OD1-N 2.79Å; N414-R417 HydrophobicContact CB-CB 4.2Å; N414-R417 PolarHBondContact OD1-N 2.86Å; N414-C418 PolarHBondContact O-N 2.89Å; N414-T419 PolarHBondContact N-O 3.06Å; N414-T419 PolarHBondContact O-N 2.83Å |
| 415 | Y | 92.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -35 | -177.2 | -174.3 | -104.7 | 0 | 0 | 0 | 114.2 | H327 N333 L335 S345 K355 M357 | H327-Y415 AromaticContact CD2-CD1 3.85Å; H327-Y415 AromaticContact CD2-CD2 3.82Å; H327-Y415 AromaticContact CD2-CE1 3.71Å; H327-Y415 AromaticContact CD2-CE2 3.67Å; H327-Y415 AromaticContact CD2-CG 3.9Å; H327-Y415 AromaticContact CD2-CZ 3.62Å; H327-Y415 AromaticContact NE2-CD1 3.5Å; H327-Y415 WeakPolarHBondContact NE2-CD1 3.34Å; H327-Y415 AromaticContact NE2-CD2 3.75Å; H327-Y415 AromaticContact NE2-CE1 3.86Å; H327-Y415 AromaticContact NE2-CG 3.44Å; N333-Y415 WeakPolarHBondContact CB-OH 3.45Å; N333-Y415 PolarHBondContact ND2-OH 3.43Å; N333-Y415 VanDerWaalsContact ND2-OH 3.11Å; L335-Y415 HydrophobicContact CD2-CD2 3.98Å; L335-Y415 HydrophobicContact CD2-CE2 3.89Å; S345-Y415 WeakPolarHBondContact OG-CE2 3.41Å; S345-Y415 PolarHBondContact OG-OH 3.19Å; K355-Y415 HydrophobicContact CD-CE1 4.4Å; K355-Y415 HydrophobicContact CD-CE2 4.35Å; K355-Y415 PolarHBondContact NZ-O 2.94Å; M357-Y415 HydrophobicContact SD-CD2 4.31Å |
| 416 | H | 89.8 | Confident | 89.3 | Confident | 135 Ų | 135 | 44.5 Ų | 44.5 | 63% | 0.625 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -45.6 | -179.1 | -165.2 | 79.8 | 0 | 0 | 0 | 110.9 | N414 C418 | N414-H416 PolarHBondContact OD1-N 2.79Å; H416-C418 PolarHBondContact O-N 2.83Å |
| 417 | R | 89.4 | Confident | 89 | Confident | 176 Ų | 176 | 42.2 Ų | 42.2 | 66% | 0.664 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -5.1 | 179.4 | -61.5 | -178.8 | -177 | 176.4 | 2.7 | 113.8 | N414 T419 | N414-R417 HydrophobicContact CB-CB 4.2Å; N414-R417 PolarHBondContact OD1-N 2.86Å; R417-T419 WeakPolarHBondContact CB-OG1 3.33Å; R417-T419 WeakPolarHBondContact O-CG2 3.39Å; R417-T419 PolarHBondContact O-N 2.87Å; R417-T419 PolarHBondContact O-OG1 3.29Å |
| 418 | C | 90.4 | Very high | 88.4 | Confident | 34 Ų | 34 | 43.2 Ų | 43.2 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 41.2 | -178.6 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | M357 N414 H416 | M357-C418 VanDerWaalsContact SD-CA 3.6Å; M357-C418 HydrophobicContact SD-CB 4.17Å; N414-C418 PolarHBondContact O-N 2.89Å; H416-C418 PolarHBondContact O-N 2.83Å |
| 419 | T | 89 | Confident | 87.4 | Confident | 61 Ų | 61 | 44.5 Ų | 44.5 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.5 | -174.4 | 44.3 | 0 | 0 | 0 | 0 | 111.8 | N414 R417 G421 | N414-T419 PolarHBondContact N-O 3.06Å; N414-T419 PolarHBondContact O-N 2.83Å; R417-T419 WeakPolarHBondContact CB-OG1 3.33Å; R417-T419 WeakPolarHBondContact O-CG2 3.39Å; R417-T419 PolarHBondContact O-N 2.87Å; R417-T419 PolarHBondContact O-OG1 3.29Å; T419-G421 PolarHBondContact O-N 3.46Å |
| 420 | M | 88.9 | Confident | 86.2 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 5% | 0.054 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 134.3 | 166.3 | -172.6 | 179.8 | 68.2 | 0 | 0 | 109.6 | S361 K364 L381 W413 | S361-M420 WeakPolarHBondContact O-CE 3.36Å; K364-M420 HydrophobicContact CD-CE 4.43Å; K364-M420 HydrophobicContact CG-CE 4.06Å; K364-M420 PolarHBondContact NZ-O 3.48Å; L381-M420 HydrophobicContact CD1-SD 4.41Å; W413-M420 HydrophobicContact CD2-CB 4.13Å; W413-M420 HydrophobicContact CD2-CG 4.26Å; W413-M420 VanDerWaalsContact CE3-CA 3.48Å; W413-M420 HydrophobicContact CE3-CB 3.86Å; W413-M420 HydrophobicContact CE3-CG 4.48Å; W413-M420 HydrophobicContact CH2-CB 4.2Å; W413-M420 HydrophobicContact CZ2-CB 4.39Å; W413-M420 HydrophobicContact CZ2-CG 4.29Å; W413-M420 HydrophobicContact CZ3-CB 3.9Å |
| 421 | G | 85.4 | Confident | 85 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 7% | 0.072 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 179 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | D398 T412 T419 | D398-G421 WeakPolarHBondContact OD2-CA 3.33Å; T412-G421 VanDerWaalsContact O-CA 3.31Å; T412-G421 WeakPolarHBondContact O-CA 3.43Å; T412-G421 PolarHBondContact O-N 3.01Å; T419-G421 PolarHBondContact O-N 3.46Å |
| 422 | A | 82.4 | Confident | 83.6 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 69% | 0.694 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -22.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D398 | D398-A422 PolarHBondContact OD2-N 3.26Å |
| 423 | H | 87.1 | Confident | 82.9 | Confident | 54 Ų | 54 | 70.9 Ų | 70.9 | 25% | 0.25 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135.3 | -166.6 | -59.3 | -52.4 | 0 | 0 | 0 | 111.7 | T412 L425 Q463 S464 | T412-H423 HydrophobicContact CG2-CB 4.04Å; T412-H423 PolarHBondContact N-O 3.34Å; T412-H423 PolarHBondContact OG1-N 2.8Å; T412-H423 PolarHBondContact OG1-O 3.45Å; H423-L425 HydrophobicContact CB-CD2 4.25Å; H423-Q463 PolarHBondContact NE2-O 2.8Å; H423-S464 PolarHBondContact CE1-O 3.22Å |
| 424 | H | 87.4 | Confident | 82.5 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 102.7 | 167 | -67.8 | -66.3 | 0 | 0 | 0 | 107.8 | A410 K426 | A410-H424 CarbonylContact O-C 3.51Å; A410-H424 WeakPolarHBondContact O-CA 3.4Å; H424-K426 PolarHBondContact O-N 2.62Å |
| 425 | L | 89.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 113.8 | -174.1 | -52.6 | 177.1 | 0 | 0 | 0 | 108.6 | A409 A410 T412 H423 A448 I450 Y460 L462 | A409-L425 WeakPolarHBondContact CA-O 3.49Å; A410-L425 HydrophobicContact CB-CB 4.28Å; A410-L425 PolarHBondContact N-O 3.17Å; A410-L425 PolarHBondContact O-N 2.87Å; T412-L425 HydrophobicContact CG2-CD1 4.05Å; T412-L425 HydrophobicContact CG2-CG 4.1Å; H423-L425 HydrophobicContact CB-CD2 4.25Å; L425-A448 HydrophobicContact CD1-CB 4.29Å; L425-I450 HydrophobicContact CB-CD1 3.85Å; L425-I450 HydrophobicContact CD1-CD1 3.85Å; L425-Y460 HydrophobicContact CB-CD1 4.11Å; L425-Y460 HydrophobicContact CB-CD2 4.36Å; L425-Y460 HydrophobicContact CB-CE1 4.25Å; L425-Y460 HydrophobicContact CB-CG 4.16Å; L425-Y460 HydrophobicContact CD1-CD2 4.49Å; L425-Y460 HydrophobicContact CD1-CG 4.23Å; L425-Y460 HydrophobicContact CD2-CD1 4.01Å; L425-Y460 HydrophobicContact CD2-CG 4.12Å; L425-Y460 HydrophobicContact CG-CG 4.4Å; L425-L462 HydrophobicContact CD1-CD2 4.23Å |
| 426 | K | 86.3 | Confident | 82.4 | Confident | 112 Ų | 112 | 72.5 Ų | 72.5 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | trans | -133 | 136.1 | -178.2 | -172.6 | -178.1 | 175.8 | -174.3 | 0 | 109.9 | A409 H424 Y460 | A409-K426 HydrophobicContact CB-CB 4.43Å; H424-K426 PolarHBondContact O-N 2.62Å; K426-Y460 PolarHBondContact O-OH 3.07Å | ||
| 427 | P | 82.8 | Confident | 82.6 | Confident | 14 Ų | 14 | 67.8 Ų | 67.8 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | trans | -68.9 | 146.5 | 178.6 | 26.9 | -34.2 | 0 | 0 | 0 | 111.7 | L408 A429 D458 Y460 | L408-P427 HydrophobicContact CD1-CG 4.09Å; L408-P427 HydrophobicContact CD2-CG 3.73Å; L408-P427 HydrophobicContact CG-CG 3.9Å; P427-A429 PolarHBondContact O-N 3.31Å; P427-D458 WeakPolarHBondContact CB-OD2 3.49Å; P427-Y460 WeakPolarHBondContact CA-OH 3.31Å | ||
| 428 | P | 75.1 | Confident | 82.8 | Confident | 87 Ų | 87 | 59.7 Ų | 59.7 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -66.1 | -34.6 | -177 | 23.3 | -31.3 | 0 | 0 | 0 | 112.9 | ||
| 429 | A | 67.1 | Low | 83.1 | Confident | 50 Ų | 50 | 58.6 Ų | 58.6 | 41% | 0.413 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -97.5 | 101.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P427 R431 | P427-A429 PolarHBondContact O-N 3.31Å; A429-R431 PolarHBondContact O-N 3.29Å |
| 430 | V | 63.7 | Low | 83.4 | Confident | 83 Ų | 83 | 56.8 Ų | 56.8 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | trans | -85.5 | 99.9 | -177.2 | -171.6 | 0 | 0 | 0 | 0 | 110.1 | L408 | L408-V430 HydrophobicContact CD2-CG1 4.34Š| ||
| 431 | R | 66.4 | Low | 83.7 | Confident | 130 Ų | 130 | 56.3 Ų | 56.3 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | trans | -72.9 | 136.7 | 163.5 | -69.8 | -174.6 | 179.6 | -167.7 | -3.9 | 109.5 | A429 N433 A434 | A429-R431 PolarHBondContact O-N 3.29Å; R431-N433 PolarHBondContact O-N 3.49Å; R431-A434 HydrophobicContact CB-CB 4.45Å; R431-A434 PolarHBondContact O-N 3.33Å | ||
| 432 | K | 64 | Low | 84.2 | Confident | 200 Ų | 200 | 56 Ų | 56 | 87% | 0.87 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 128 | 173.5 | -71 | -178.5 | 177.6 | 178.5 | 0 | 108.2 | ||
| 433 | N | 77.6 | Confident | 84.6 | Confident | 157 Ų | 157 | 53.4 Ų | 53.4 | 84% | 0.84 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 16.7 | 176.8 | -51.5 | -11.6 | 0 | 0 | 0 | 117.8 | R431 | R431-N433 PolarHBondContact O-N 3.49Š|
| 434 | A | 85 | Confident | 84.8 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | trans | -71.7 | 143.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L408 R431 C454 | L408-A434 WeakPolarHBondContact CB-O 3.42Å; L408-A434 HydrophobicContact CD1-CB 3.75Å; L408-A434 HydrophobicContact CD2-CB 4.18Å; R431-A434 HydrophobicContact CB-CB 4.45Å; R431-A434 PolarHBondContact O-N 3.33Å; A434-C454 HydrophobicContact CB-CB 4.49Å | ||
| 435 | V | 91.1 | Very high | 85 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | trans | -127.3 | 144.6 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | S452 S453 | V435-S452 CarbonylContact O-C 3.48Å; V435-S452 VanDerWaalsContact O-CA 3.31Å; V435-S452 WeakPolarHBondContact O-CA 3.24Å; V435-S453 PolarHBondContact N-OG 2.83Å; V435-S453 PolarHBondContact O-N 3.22Å; V435-S453 PolarHBondContact O-OG 2.86Å | ||
| 436 | A | 92.4 | Very high | 85.2 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L403 R407 I450 | L403-A436 HydrophobicContact CD1-CB 4.01Å; L403-A436 HydrophobicContact CD2-CB 3.73Å; L403-A436 HydrophobicContact CG-CB 4.35Å; R407-A436 PolarHBondContact O-N 2.85Å; A436-I450 HydrophobicContact CB-CG2 4.01Å |
| 437 | T | 93.2 | Very high | 85.6 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 22% | 0.221 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -30.2 | -168.7 | 47.5 | 0 | 0 | 0 | 0 | 113.8 | G451 V481 V482 | T437-G451 PolarHBondContact N-O 3.48Å; T437-G451 PolarHBondContact OG1-O 3.08Å; T437-V481 HydrophobicContact CG2-CG1 3.83Å; T437-V482 VanDerWaalsContact CB-O 3.3Å; T437-V482 WeakPolarHBondContact CB-O 3.32Å; T437-V482 PolarHBondContact OG1-O 3.35Å |
| 438 | A | 94.3 | Very high | 86.2 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 147 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G451 V482 L485 | A438-G451 PolarHBondContact N-O 2.82Å; A438-G451 PolarHBondContact O-N 3.15Å; A438-V482 HydrophobicContact CB-CG1 4.36Å; A438-L485 HydrophobicContact CB-CB 4.4Å; A438-L485 HydrophobicContact CB-CD1 4Å; A438-L485 HydrophobicContact CB-CG 4.01Å |
| 439 | V | 95.9 | Very high | 87.2 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 142.3 | 176.3 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | V386 A388 V401 L403 V449 I450 | V386-V439 HydrophobicContact CB-CG1 4.35Å; V386-V439 HydrophobicContact CG1-CG1 3.83Å; A388-V439 HydrophobicContact CB-CG1 4.07Å; A388-V439 HydrophobicContact CB-CG2 4.29Å; V401-V439 HydrophobicContact CB-CG2 4.07Å; V401-V439 HydrophobicContact CG1-CG2 3.77Å; L403-V439 HydrophobicContact CD1-CB 3.9Å; L403-V439 HydrophobicContact CD1-CG1 3.91Å; L403-V439 HydrophobicContact CD2-CB 4.29Å; L403-V439 HydrophobicContact CD2-CG1 4.48Å; L403-V439 HydrophobicContact CG-CB 4.01Å; L403-V439 HydrophobicContact CG-CG1 3.79Å; V439-V449 WeakPolarHBondContact CA-O 3.41Å; V439-I450 HydrophobicContact CG2-CG1 4.12Å |
| 440 | D | 96 | Very high | 88.6 | Confident | 23 Ų | 23 | 42 Ų | 42 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154.3 | 164.4 | -170.9 | 27.3 | 0 | 0 | 0 | 110.4 | V449 L485 A486 T487 R530 | D440-V449 PolarHBondContact N-O 2.75Å; D440-V449 PolarHBondContact O-N 2.82Å; D440-L485 HydrophobicContact CB-CB 4.41Å; D440-A486 WeakPolarHBondContact OD2-CA 3.5Å; D440-T487 PolarHBondContact OD2-N 2.91Å; D440-T487 PolarHBondContact OD2-OG1 3.38Å; D440-R530 IonicContact OD1-NH2 3.72Å; D440-R530 PolarHBondContact OD1-NH2 2.88Å; D440-R530 VanDerWaalsContact OD1-NH2 3.13Å; D440-R530 IonicContact OD2-NH2 2.7Å; D440-R530 PolarHBondContact OD2-NH2 3.32Å |
| 441 | I | 95.3 | Very high | 90 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.9 | 176.2 | -58.2 | 173.3 | 0 | 0 | 0 | 108.4 | A388 A390 V401 L462 R530 | A388-I441 HydrophobicContact CB-CD1 4.08Å; A388-I441 HydrophobicContact CB-CG1 3.87Å; A388-I441 VanDerWaalsContact O-CD1 3.29Å; A388-I441 WeakPolarHBondContact O-CD1 3.4Å; A390-I441 HydrophobicContact CB-CB 4.27Å; A390-I441 HydrophobicContact CB-CG2 3.62Å; V401-I441 HydrophobicContact CB-CD1 4.13Å; V401-I441 HydrophobicContact CB-CG1 4.45Å; V401-I441 HydrophobicContact CG2-CD1 3.73Å; V401-I441 HydrophobicContact CG2-CG1 4.06Å; I441-L462 HydrophobicContact CD1-CD1 4.5Å; I441-L462 HydrophobicContact CG2-CD1 3.81Å; I441-R530 PolarHBondContact O-NH2 3.13Å |
| 442 | T | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -51.8 | 146.4 | 173.7 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | C444 G445 F447 T487 N491 F508 | T442-C444 PolarHBondContact O-N 2.89Å; T442-C444 VanDerWaalsContact O-N 3.14Å; T442-C444 PolarHBondContact OG1-SG 2.72Å; T442-G445 PolarHBondContact O-N 2.79Å; T442-F447 HydrophobicContact CG2-CB 3.81Å; T442-F447 HydrophobicContact CG2-CD2 4.45Å; T442-F447 PolarHBondContact N-O 2.9Å; T442-F447 PolarHBondContact OG1-N 2.67Å; T442-F447 PolarHBondContact OG1-O 2.83Å; T442-T487 HydrophobicContact CG2-CG2 4.31Å; T442-N491 WeakPolarHBondContact CB-OD1 3.4Å; T442-N491 VanDerWaalsContact CG2-OD1 3.26Å; T442-N491 WeakPolarHBondContact CG2-OD1 2.95Å; T442-F508 HydrophobicContact CG2-CE2 3.82Å; T442-F508 HydrophobicContact CG2-CZ 3.92Å | ||
| 443 | S | 90.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 24.3 Ų | 24.3 | 21% | 0.21 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -38.8 | 177 | 59.5 | 0 | 0 | 0 | 0 | 113 | T392 G445 T489 N491 | T392-S443 WeakPolarHBondContact CG2-O 3.43Å; T392-S443 PolarHBondContact OG1-O 3.38Å; S443-G445 PolarHBondContact O-N 3Å; S443-T489 PolarHBondContact OG-O 2.74Å; S443-N491 PolarHBondContact OG-ND2 3.02Å |
| 444 | C | 91.3 | Very high | 93.1 | Very high | 36 Ų | 36 | 18.4 Ų | 18.4 | 24% | 0.243 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.1 | 179.7 | 65.5 | 0 | 0 | 0 | 0 | 114.4 | T392 R393 T442 N446 | T392-C444 VanDerWaalsContact OG1-C 3.27Å; T392-C444 PolarHBondContact OG1-O 2.83Å; R393-C444 WeakPolarHBondContact CG-O 3.43Å; T442-C444 PolarHBondContact O-N 2.89Å; T442-C444 VanDerWaalsContact O-N 3.14Å; T442-C444 PolarHBondContact OG1-SG 2.72Å; C444-N446 PolarHBondContact O-N 2.85Å |
| 445 | G | 91.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 4% | 0.041 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 73.5 | 6.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | T392 W397 T442 S443 | T392-G445 PolarHBondContact OG1-N 3.43Å; W397-G445 PolarHBondContact NE1-O 2.99Å; T442-G445 PolarHBondContact O-N 2.79Å; S443-G445 PolarHBondContact O-N 3Å |
| 446 | N | 94.1 | Very high | 93.3 | Very high | 50 Ų | 50 | 16.7 Ų | 16.7 | 27% | 0.267 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -86.2 | -34.9 | -177.4 | -73.1 | -36.7 | 0 | 0 | 0 | 113.1 | W397 C444 N461 L462 | W397-N446 WeakPolarHBondContact CH2-OD1 3.43Å; W397-N446 WeakPolarHBondContact CZ2-OD1 3.45Å; C444-N446 PolarHBondContact O-N 2.85Å; N446-N461 CarbonylContact O-C 3.56Å; N446-N461 WeakPolarHBondContact O-CA 2.82Å; N446-L462 PolarHBondContact O-N 2.98Å |
| 447 | F | 95.2 | Very high | 93.4 | Very high | 53 Ų | 53 | 16.6 Ų | 16.6 | 23% | 0.232 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.1 | -173.1 | -55 | -80.4 | 0 | 0 | 0 | 112.1 | T442 V459 Y460 N461 R468 F508 | T442-F447 HydrophobicContact CG2-CB 3.81Å; T442-F447 HydrophobicContact CG2-CD2 4.45Å; T442-F447 PolarHBondContact N-O 2.9Å; T442-F447 PolarHBondContact OG1-N 2.67Å; T442-F447 PolarHBondContact OG1-O 2.83Å; F447-V459 HydrophobicContact CB-CG1 4.08Å; F447-V459 HydrophobicContact CD1-CG1 4.06Å; F447-V459 HydrophobicContact CG-CG1 4.34Å; F447-Y460 CarbonylContact C-O 3.58Å; F447-Y460 WeakPolarHBondContact CA-O 3.24Å; F447-N461 HydrophobicContact CD1-CB 4.38Å; F447-N461 HydrophobicContact CE1-CB 4.37Å; F447-R468 HydrophobicContact CE1-CG 4.26Å; F447-F508 HydrophobicContact CB-CZ 4.01Å; F447-F508 HydrophobicContact CD2-CE1 4.02Å; F447-F508 AromaticContact CD2-CZ 3.65Å; F447-F508 HydrophobicContact CD2-CZ 3.65Å; F447-F508 HydrophobicContact CE2-CE1 4.2Å; F447-F508 HydrophobicContact CE2-CZ 4.27Å; F447-F508 AromaticContact CG-CZ 3.86Å; F447-F508 HydrophobicContact CG-CZ 3.86Å |
| 448 | A | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V401 L425 V459 Y460 L462 | V401-A448 HydrophobicContact CG2-CB 4.09Å; L425-A448 HydrophobicContact CD1-CB 4.29Å; A448-V459 WeakPolarHBondContact O-CA 3.19Å; A448-Y460 PolarHBondContact N-O 2.83Å; A448-Y460 PolarHBondContact O-N 2.83Å; A448-L462 HydrophobicContact CB-CD1 4.25Å; A448-L462 HydrophobicContact CB-CD2 3.82Å; A448-L462 HydrophobicContact CB-CG 3.99Å |
| 449 | V | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.2 | 176.4 | -171.3 | 0 | 0 | 0 | 0 | 107.9 | V439 D440 V457 D458 V459 Y471 L485 T487 T494 F508 | V439-V449 WeakPolarHBondContact CA-O 3.41Å; D440-V449 PolarHBondContact N-O 2.75Å; D440-V449 PolarHBondContact O-N 2.82Å; V449-V457 HydrophobicContact CG1-CG1 3.41Å; V449-V457 VanDerWaalsContact CG1-CG1 3.41Å; V449-D458 CarbonylContact C-O 3.56Å; V449-D458 WeakPolarHBondContact CA-O 3.28Å; V449-V459 HydrophobicContact CG1-CG2 4.46Å; V449-V459 HydrophobicContact CG2-CG2 4.25Å; V449-Y471 HydrophobicContact CG1-CE2 4Å; V449-L485 HydrophobicContact CG1-CD1 4.11Å; V449-L485 HydrophobicContact CG1-CD2 4.44Å; V449-T487 HydrophobicContact CG2-CG2 3.8Å; V449-T494 HydrophobicContact CG1-CG2 4.44Å; V449-F508 HydrophobicContact CG2-CE2 4.43Å |
| 450 | I | 95.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 14.9 Ų | 14.9 | 6% | 0.056 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128 | -175.2 | -60.4 | 169.8 | 0 | 0 | 0 | 109.3 | L403 A410 L425 A436 V439 V457 D458 Y460 | L403-I450 HydrophobicContact CD2-CG2 4.37Å; A410-I450 HydrophobicContact CB-CD1 3.63Å; L425-I450 HydrophobicContact CB-CD1 3.85Å; L425-I450 HydrophobicContact CD1-CD1 3.85Å; A436-I450 HydrophobicContact CB-CG2 4.01Å; V439-I450 HydrophobicContact CG2-CG1 4.12Å; I450-V457 CarbonylContact O-C 3.58Å; I450-V457 WeakPolarHBondContact O-CA 3.46Å; I450-D458 PolarHBondContact N-O 3.04Å; I450-D458 PolarHBondContact O-N 3.13Å; I450-Y460 HydrophobicContact CB-CE2 4.36Å; I450-Y460 HydrophobicContact CD1-CD2 3.85Å; I450-Y460 HydrophobicContact CD1-CE2 3.86Å; I450-Y460 HydrophobicContact CG1-CD2 4.37Å; I450-Y460 HydrophobicContact CG1-CE2 4.43Å |
| 451 | G | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 143.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T437 A438 | T437-G451 PolarHBondContact N-O 3.48Å; T437-G451 PolarHBondContact OG1-O 3.08Å; A438-G451 PolarHBondContact N-O 2.82Å; A438-G451 PolarHBondContact O-N 3.15Å |
| 452 | S | 92.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 14.5 Ų | 14.5 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 160.7 | -177.5 | 61.8 | 0 | 0 | 0 | 0 | 112.4 | V435 C454 G455 R456 V482 | V435-S452 CarbonylContact O-C 3.48Å; V435-S452 VanDerWaalsContact O-CA 3.31Å; V435-S452 WeakPolarHBondContact O-CA 3.24Å; S452-C454 PolarHBondContact O-N 2.96Å; S452-C454 PolarHBondContact OG-SG 3.21Å; S452-G455 PolarHBondContact O-N 2.84Å; S452-G455 VanDerWaalsContact O-N 3.14Å; S452-R456 PolarHBondContact N-O 3.34Å; S452-R456 WeakPolarHBondContact OG-CB 3.41Å; S452-R456 PolarHBondContact OG-N 3.09Å; S452-R456 PolarHBondContact OG-O 3.01Å; S452-V482 PolarHBondContact O-N 3.08Å |
| 453 | S | 91.9 | Very high | 93.1 | Very high | 35 Ų | 35 | 20.1 Ų | 20.1 | 25% | 0.245 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.3 | 176.3 | 64.9 | 0 | 0 | 0 | 0 | 114 | V435 G455 V481 | V435-S453 PolarHBondContact N-OG 2.83Å; V435-S453 PolarHBondContact O-N 3.22Å; V435-S453 PolarHBondContact O-OG 2.86Å; S453-G455 VanDerWaalsContact C-N 3.32Å; S453-V481 WeakPolarHBondContact O-CG2 3.49Å |
| 454 | C | 88.8 | Confident | 93.1 | Very high | 33 Ų | 33 | 20.9 Ų | 20.9 | 22% | 0.223 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 6 | 176.6 | 64.7 | 0 | 0 | 0 | 0 | 114 | A434 S452 | A434-C454 HydrophobicContact CB-CB 4.49Å; S452-C454 PolarHBondContact O-N 2.96Å; S452-C454 PolarHBondContact OG-SG 3.21Å |
| 455 | G | 89.1 | Confident | 93.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 85.8 | 4.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S452 S453 A477 H478 G480 | S452-G455 PolarHBondContact O-N 2.84Å; S452-G455 VanDerWaalsContact O-N 3.14Å; S453-G455 VanDerWaalsContact C-N 3.32Å; G455-A477 PolarHBondContact O-N 3.35Å; G455-H478 WeakPolarHBondContact CA-O 3.42Å; G455-H478 PolarHBondContact O-N 2.89Å; G455-G480 WeakPolarHBondContact CA-O 3.39Å; G455-G480 PolarHBondContact N-O 2.9Å |
| 456 | R | 91.4 | Very high | 93.1 | Very high | 13 Ų | 13 | 25 Ų | 25 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | trans | -86.2 | 138.1 | 176.6 | -174.8 | 177 | -177.3 | 136.6 | 11 | 110.6 | S452 D458 C470 E475 | S452-R456 PolarHBondContact N-O 3.34Å; S452-R456 WeakPolarHBondContact OG-CB 3.41Å; S452-R456 PolarHBondContact OG-N 3.09Å; S452-R456 PolarHBondContact OG-O 3.01Å; R456-D458 VanDerWaalsContact CD-OD2 3.27Å; R456-D458 WeakPolarHBondContact CD-OD2 3.45Å; R456-D458 WeakPolarHBondContact CG-OD2 3.45Å; R456-D458 IonicContact CZ-OD1 2.8Å; R456-D458 IonicContact NE-OD1 2.61Å; R456-D458 PolarHBondContact NE-OD1 2.87Å; R456-D458 IonicContact NE-OD2 3.87Å; R456-D458 PolarHBondContact NE-OD2 3.39Å; R456-D458 IonicContact NH2-OD1 2.94Å; R456-C470 HydrophobicContact CG-CB 4.45Å; R456-E475 WeakPolarHBondContact CG-O 3.41Å; R456-E475 IonicContact CZ-OE1 3.09Å; R456-E475 IonicContact CZ-OE2 2.77Å; R456-E475 VanDerWaalsContact NH1-CD 3.35Å; R456-E475 IonicContact NH1-OE1 3.73Å; R456-E475 IonicContact NH1-OE2 3.24Å; R456-E475 PolarHBondContact NH1-OE2 2.99Å; R456-E475 VanDerWaalsContact NH2-CD 3.34Å; R456-E475 IonicContact NH2-OE1 3.44Å; R456-E475 PolarHBondContact NH2-OE1 2.93Å; R456-E475 IonicContact NH2-OE2 3.9Å | ||
| 457 | V | 93.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.9 | 173 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | V449 I450 C470 Y471 A477 V482 L485 | V449-V457 HydrophobicContact CG1-CG1 3.41Å; V449-V457 VanDerWaalsContact CG1-CG1 3.41Å; I450-V457 CarbonylContact O-C 3.58Å; I450-V457 WeakPolarHBondContact O-CA 3.46Å; V457-C470 CarbonylContact O-C 3.56Å; V457-C470 VanDerWaalsContact O-CA 3.25Å; V457-C470 WeakPolarHBondContact O-CA 3.44Å; V457-Y471 HydrophobicContact CB-CD2 3.89Å; V457-Y471 HydrophobicContact CG1-CD2 3.52Å; V457-Y471 HydrophobicContact CG1-CE2 3.98Å; V457-Y471 PolarHBondContact O-N 2.87Å; V457-A477 HydrophobicContact CB-CB 4.22Å; V457-A477 HydrophobicContact CG2-CB 3.73Å; V457-V482 HydrophobicContact CG2-CG1 4.14Å; V457-V482 HydrophobicContact CG2-CG2 3.8Å; V457-L485 HydrophobicContact CG1-CD1 4.11Å; V457-L485 HydrophobicContact CG1-CD2 3.66Å; V457-L485 HydrophobicContact CG2-CD2 4.03Å |
| 458 | D | 93.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.8 | -174 | -71.6 | -61.5 | 0 | 0 | 0 | 111.7 | P427 V449 I450 R456 Y460 H467 C470 | P427-D458 WeakPolarHBondContact CB-OD2 3.49Å; V449-D458 CarbonylContact C-O 3.56Å; V449-D458 WeakPolarHBondContact CA-O 3.28Å; I450-D458 PolarHBondContact N-O 3.04Å; I450-D458 PolarHBondContact O-N 3.13Å; R456-D458 VanDerWaalsContact CD-OD2 3.27Å; R456-D458 WeakPolarHBondContact CD-OD2 3.45Å; R456-D458 WeakPolarHBondContact CG-OD2 3.45Å; R456-D458 IonicContact CZ-OD1 2.8Å; R456-D458 IonicContact NE-OD1 2.61Å; R456-D458 PolarHBondContact NE-OD1 2.87Å; R456-D458 IonicContact NE-OD2 3.87Å; R456-D458 PolarHBondContact NE-OD2 3.39Å; R456-D458 IonicContact NH2-OD1 2.94Å; D458-Y460 HydrophobicContact CB-CD2 4.39Å; D458-Y460 HydrophobicContact CB-CE2 3.52Å; D458-H467 IonicContact OD1-CD2 3.59Å; D458-H467 IonicContact OD1-CE1 3.63Å; D458-H467 IonicContact OD1-NE2 2.72Å; D458-H467 PolarHBondContact OD1-NE2 3.44Å; D458-C470 WeakPolarHBondContact OD1-CB 3.44Å |
| 459 | V | 94.5 | Very high | 92.6 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.8 | 177.7 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | F447 A448 V449 R468 G469 Y471 F508 | F447-V459 HydrophobicContact CB-CG1 4.08Å; F447-V459 HydrophobicContact CD1-CG1 4.06Å; F447-V459 HydrophobicContact CG-CG1 4.34Å; A448-V459 WeakPolarHBondContact O-CA 3.19Å; V449-V459 HydrophobicContact CG1-CG2 4.46Å; V449-V459 HydrophobicContact CG2-CG2 4.25Å; V459-R468 PolarHBondContact O-N 2.82Å; V459-G469 PolarHBondContact N-O 3.22Å; V459-Y471 HydrophobicContact CG2-CD2 4.22Å; V459-Y471 HydrophobicContact CG2-CE2 3.42Å; V459-Y471 VanDerWaalsContact CG2-CE2 3.42Å; V459-F508 HydrophobicContact CG1-CZ 4.44Å |
| 460 | Y | 95.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 148 | 177.8 | -62.3 | -94.1 | 0 | 0 | 0 | 110.5 | L425 K426 P427 F447 A448 I450 D458 L466 H467 | L425-Y460 HydrophobicContact CB-CD1 4.11Å; L425-Y460 HydrophobicContact CB-CD2 4.36Å; L425-Y460 HydrophobicContact CB-CE1 4.25Å; L425-Y460 HydrophobicContact CB-CG 4.16Å; L425-Y460 HydrophobicContact CD1-CD2 4.49Å; L425-Y460 HydrophobicContact CD1-CG 4.23Å; L425-Y460 HydrophobicContact CD2-CD1 4.01Å; L425-Y460 HydrophobicContact CD2-CG 4.12Å; L425-Y460 HydrophobicContact CG-CG 4.4Å; K426-Y460 PolarHBondContact O-OH 3.07Å; P427-Y460 WeakPolarHBondContact CA-OH 3.31Å; F447-Y460 CarbonylContact C-O 3.58Å; F447-Y460 WeakPolarHBondContact CA-O 3.24Å; A448-Y460 PolarHBondContact N-O 2.83Å; A448-Y460 PolarHBondContact O-N 2.83Å; I450-Y460 HydrophobicContact CB-CE2 4.36Å; I450-Y460 HydrophobicContact CD1-CD2 3.85Å; I450-Y460 HydrophobicContact CD1-CE2 3.86Å; I450-Y460 HydrophobicContact CG1-CD2 4.37Å; I450-Y460 HydrophobicContact CG1-CE2 4.43Å; D458-Y460 HydrophobicContact CB-CD2 4.39Å; D458-Y460 HydrophobicContact CB-CE2 3.52Å; Y460-L466 WeakPolarHBondContact CA-O 3.49Å; Y460-H467 HydrophobicContact CD1-CB 4.03Å; Y460-H467 HydrophobicContact CE1-CB 3.78Å; Y460-H467 AromaticContact CE1-CD2 3.78Å; Y460-H467 AromaticContact CZ-CD2 3.73Å |
| 461 | N | 94.8 | Very high | 92.1 | Very high | 17 Ų | 17 | 30.4 Ų | 30.4 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.9 | 167.4 | -179.3 | -42.4 | 0 | 0 | 0 | 109 | N446 F447 Q463 S464 G465 L466 R468 | N446-N461 CarbonylContact O-C 3.56Å; N446-N461 WeakPolarHBondContact O-CA 2.82Å; F447-N461 HydrophobicContact CD1-CB 4.38Å; F447-N461 HydrophobicContact CE1-CB 4.37Å; N461-Q463 VanDerWaalsContact OD1-CB 3.29Å; N461-Q463 WeakPolarHBondContact OD1-CB 3.36Å; N461-Q463 PolarHBondContact OD1-N 3.33Å; N461-S464 PolarHBondContact OD1-N 3.48Å; N461-G465 WeakPolarHBondContact O-CA 3.34Å; N461-G465 PolarHBondContact O-N 2.86Å; N461-L466 PolarHBondContact N-O 3.3Å; N461-R468 HydrophobicContact CB-CG 4.07Å; N461-R468 PolarHBondContact ND2-NH2 3.46Å |
| 462 | L | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -27.8 | -176.2 | -75.2 | 174.4 | 0 | 0 | 0 | 113.7 | V401 T412 L425 I441 N446 A448 | V401-L462 HydrophobicContact CG2-CD2 3.69Å; T412-L462 HydrophobicContact CG2-CD2 4.1Å; L425-L462 HydrophobicContact CD1-CD2 4.23Å; I441-L462 HydrophobicContact CD1-CD1 4.5Å; I441-L462 HydrophobicContact CG2-CD1 3.81Å; N446-L462 PolarHBondContact O-N 2.98Å; A448-L462 HydrophobicContact CB-CD1 4.25Å; A448-L462 HydrophobicContact CB-CD2 3.82Å; A448-L462 HydrophobicContact CB-CG 3.99Å |
| 463 | Q | 93.1 | Very high | 90.6 | Very high | 118 Ų | 118 | 39.1 Ų | 39.1 | 55% | 0.551 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -50.8 | 176.7 | -172.7 | -172.7 | 14.4 | 0 | 0 | 110.6 | W397 H423 N461 | W397-Q463 HydrophobicContact CD2-CB 4.06Å; W397-Q463 HydrophobicContact CD2-CG 4.31Å; W397-Q463 HydrophobicContact CE3-CB 4.09Å; W397-Q463 HydrophobicContact CE3-CG 3.87Å; W397-Q463 HydrophobicContact CG-CB 4.42Å; W397-Q463 HydrophobicContact CZ3-CG 4.27Å; H423-Q463 PolarHBondContact NE2-O 2.8Å; N461-Q463 VanDerWaalsContact OD1-CB 3.29Å; N461-Q463 WeakPolarHBondContact OD1-CB 3.36Å; N461-Q463 PolarHBondContact OD1-N 3.33Å |
| 464 | S | 92.1 | Very high | 89.4 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -16.9 | -176.1 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | H423 N461 L466 | H423-S464 PolarHBondContact CE1-O 3.22Å; N461-S464 PolarHBondContact OD1-N 3.48Å; S464-L466 PolarHBondContact O-N 3.13Å; S464-L466 WeakPolarHBondContact OG-CB 3.26Å; S464-L466 PolarHBondContact OG-N 2.93Å |
| 465 | G | 90.1 | Very high | 88.8 | Confident | 18 Ų | 18 | 48 Ų | 48 | 19% | 0.186 | 25% | 0.248 | C | C | . | . | trans | 72 | 6.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N461 | N461-G465 WeakPolarHBondContact O-CA 3.34Å; N461-G465 PolarHBondContact O-N 2.86Å | ||
| 466 | L | 92.5 | Very high | 88.5 | Confident | 108 Ų | 108 | 52.2 Ų | 52.2 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | trans | -84 | 141.9 | -175.4 | -64.4 | 173.4 | 0 | 0 | 0 | 112.1 | Y460 N461 S464 | Y460-L466 WeakPolarHBondContact CA-O 3.49Å; N461-L466 PolarHBondContact N-O 3.3Å; S464-L466 PolarHBondContact O-N 3.13Å; S464-L466 WeakPolarHBondContact OG-CB 3.26Å; S464-L466 PolarHBondContact OG-N 2.93Å | ||
| 467 | H | 93.1 | Very high | 88.3 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 28% | 0.282 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 133.5 | 169.6 | -178.4 | -101.5 | 0 | 0 | 0 | 110.4 | D458 Y460 G469 | D458-H467 IonicContact OD1-CD2 3.59Å; D458-H467 IonicContact OD1-CE1 3.63Å; D458-H467 IonicContact OD1-NE2 2.72Å; D458-H467 PolarHBondContact OD1-NE2 3.44Å; Y460-H467 HydrophobicContact CD1-CB 4.03Å; Y460-H467 HydrophobicContact CE1-CB 3.78Å; Y460-H467 AromaticContact CE1-CD2 3.78Å; Y460-H467 AromaticContact CZ-CD2 3.73Å; H467-G469 VanDerWaalsContact CE1-C 3.49Å; H467-G469 VanDerWaalsContact CE1-CA 3.45Å; H467-G469 WeakPolarHBondContact CE1-CA 3.42Å; H467-G469 PolarHBondContact NE2-O 3.25Å |
| 468 | R | 91.5 | Very high | 88.2 | Confident | 132 Ų | 132 | 51.8 Ų | 51.8 | 50% | 0.498 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -21.2 | -178.5 | -67.8 | -65.2 | -174.3 | 165.7 | 1.5 | 113.1 | F447 V459 N461 R511 | F447-R468 HydrophobicContact CE1-CG 4.26Å; V459-R468 PolarHBondContact O-N 2.82Å; N461-R468 HydrophobicContact CB-CG 4.07Å; N461-R468 PolarHBondContact ND2-NH2 3.46Å; R468-R511 PolarHBondContact O-NH1 2.8Å |
| 469 | G | 88.8 | Confident | 88 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157 | 179.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | V459 H467 | V459-G469 PolarHBondContact N-O 3.22Å; H467-G469 VanDerWaalsContact CE1-C 3.49Å; H467-G469 VanDerWaalsContact CE1-CA 3.45Å; H467-G469 WeakPolarHBondContact CE1-CA 3.42Å; H467-G469 PolarHBondContact NE2-O 3.25Å |
| 470 | C | 90.8 | Very high | 87.7 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 157.1 | 176.6 | 55.3 | 0 | 0 | 0 | 0 | 111 | R456 V457 D458 | R456-C470 HydrophobicContact CG-CB 4.45Å; V457-C470 CarbonylContact O-C 3.56Å; V457-C470 VanDerWaalsContact O-CA 3.25Å; V457-C470 WeakPolarHBondContact O-CA 3.44Å; D458-C470 WeakPolarHBondContact OD1-CB 3.44Å |
| 471 | Y | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -87.7 | 143.6 | 170.1 | -65 | -82.9 | 0 | 0 | 0 | 111.2 | V449 V457 V459 T494 W506 F508 R511 | V449-Y471 HydrophobicContact CG1-CE2 4Å; V457-Y471 HydrophobicContact CB-CD2 3.89Å; V457-Y471 HydrophobicContact CG1-CD2 3.52Å; V457-Y471 HydrophobicContact CG1-CE2 3.98Å; V457-Y471 PolarHBondContact O-N 2.87Å; V459-Y471 HydrophobicContact CG2-CD2 4.22Å; V459-Y471 HydrophobicContact CG2-CE2 3.42Å; V459-Y471 VanDerWaalsContact CG2-CE2 3.42Å; Y471-T494 HydrophobicContact CE2-CG2 4.29Å; Y471-T494 PolarHBondContact OH-OG1 2.75Å; Y471-W506 HydrophobicContact CD1-CB 3.6Å; Y471-W506 AromaticContact CD1-CD2 3.83Å; Y471-W506 HydrophobicContact CD1-CD2 3.83Å; Y471-W506 AromaticContact CD1-CE3 3.88Å; Y471-W506 HydrophobicContact CD1-CE3 3.88Å; Y471-W506 AromaticContact CD1-CG 3.72Å; Y471-W506 HydrophobicContact CD1-CG 3.72Å; Y471-W506 HydrophobicContact CE1-CB 3.61Å; Y471-W506 HydrophobicContact CE1-CG 4.16Å; Y471-W506 HydrophobicContact CG-CD2 4.15Å; Y471-W506 HydrophobicContact CG-CE3 4.3Å; Y471-W506 HydrophobicContact CG-CG 4.24Å; Y471-F508 WeakPolarHBondContact OH-CD2 3.48Å; Y471-R511 HydrophobicContact CD1-CB 3.78Å; Y471-R511 HydrophobicContact CD1-CG 4.02Å; Y471-R511 HydrophobicContact CE1-CB 4.02Å; Y471-R511 HydrophobicContact CE1-CG 3.84Å |
| 472 | G | 83.6 | Confident | 87.6 | Confident | 18 Ų | 18 | 58 Ų | 58 | 19% | 0.186 | 31% | 0.311 | C | S | . | . | S | Bend | trans | 94.9 | 144.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E474 E475 | G472-E474 VanDerWaalsContact C-N 3.34Å; G472-E474 PolarHBondContact O-N 3.24Å; G472-E475 PolarHBondContact O-N 3.36Å |
| 473 | D | 71.1 | Confident | 87.6 | Confident | 172 Ų | 172 | 63.3 Ų | 63.3 | 92% | 0.92 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -28.5 | -173.5 | -62.2 | -40.3 | 0 | 0 | 0 | 113.2 | ||
| 474 | E | 67.5 | Low | 87.6 | Confident | 163 Ų | 163 | 57.9 Ų | 57.9 | 76% | 0.762 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 26.8 | 177.1 | -61.6 | -171.7 | 171.5 | 0 | 0 | 113.6 | G472 K476 | G472-E474 VanDerWaalsContact C-N 3.34Å; G472-E474 PolarHBondContact O-N 3.24Å; E474-K476 PolarHBondContact O-N 3.4Å; E474-K476 VanDerWaalsContact O-N 3.09Å |
| 475 | E | 75 | Confident | 87.8 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 57.3 | 19.1 | -171.6 | -48.6 | -162.4 | 122.7 | 0 | 0 | 114.9 | R456 G472 | R456-E475 WeakPolarHBondContact CG-O 3.41Å; R456-E475 IonicContact CZ-OE1 3.09Å; R456-E475 IonicContact CZ-OE2 2.77Å; R456-E475 VanDerWaalsContact NH1-CD 3.35Å; R456-E475 IonicContact NH1-OE1 3.73Å; R456-E475 IonicContact NH1-OE2 3.24Å; R456-E475 PolarHBondContact NH1-OE2 2.99Å; R456-E475 VanDerWaalsContact NH2-CD 3.34Å; R456-E475 IonicContact NH2-OE1 3.44Å; R456-E475 PolarHBondContact NH2-OE1 2.93Å; R456-E475 IonicContact NH2-OE2 3.9Å; G472-E475 PolarHBondContact O-N 3.36Å |
| 476 | K | 83.8 | Confident | 88 | Confident | 89 Ų | 89 | 55.7 Ų | 55.7 | 39% | 0.387 | 29% | 0.288 | S | S | . | . | trans | -126.7 | 123.5 | 173.8 | -71.5 | -176.4 | -175.4 | 172.9 | 0 | 110.2 | E474 | E474-K476 PolarHBondContact O-N 3.4Å; E474-K476 VanDerWaalsContact O-N 3.09Å | ||
| 477 | A | 86.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -84.9 | -39.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G455 V457 K504 W506 | G455-A477 PolarHBondContact O-N 3.35Å; V457-A477 HydrophobicContact CB-CB 4.22Å; V457-A477 HydrophobicContact CG2-CB 3.73Å; A477-K504 WeakPolarHBondContact O-CD 3.48Å; A477-K504 WeakPolarHBondContact O-CE 3.34Å; A477-K504 PolarHBondContact O-NZ 2.83Å; A477-W506 HydrophobicContact CB-CH2 4.06Å; A477-W506 HydrophobicContact CB-CZ2 3.62Å |
| 478 | H | 91.3 | Very high | 88.1 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | trans | -128.3 | 157.5 | -178 | -69.9 | -91.2 | 0 | 0 | 0 | 111.2 | G455 S496 D500 L502 | G455-H478 WeakPolarHBondContact CA-O 3.42Å; G455-H478 PolarHBondContact O-N 2.89Å; H478-S496 WeakPolarHBondContact NE2-CB 3.43Å; H478-S496 PolarHBondContact NE2-OG 2.9Å; H478-D500 WeakPolarHBondContact CB-OD2 3.33Å; H478-D500 IonicContact CE1-OD1 3.18Å; H478-D500 IonicContact CG-OD1 3.85Å; H478-D500 IonicContact CG-OD2 3.8Å; H478-D500 VanDerWaalsContact ND1-CG 3.3Å; H478-D500 IonicContact ND1-OD1 3.13Å; H478-D500 PolarHBondContact ND1-OD1 2.76Å; H478-D500 IonicContact ND1-OD2 3.72Å; H478-D500 PolarHBondContact ND1-OD2 3.47Å; H478-L502 PolarHBondContact CE1-O 3.29Å | ||
| 479 | S | 88.9 | Confident | 88.1 | Confident | 107 Ų | 107 | 44.9 Ų | 44.9 | 75% | 0.748 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -79.8 | -26.2 | 173.4 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | D500 | S479-D500 PolarHBondContact N-OD2 3.49Å; S479-D500 WeakPolarHBondContact OG-CB 3.36Å |
| 480 | G | 88.8 | Confident | 88.2 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -111.2 | -161.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G455 S499 | G455-G480 WeakPolarHBondContact CA-O 3.39Å; G455-G480 PolarHBondContact N-O 2.9Å; G480-S499 WeakPolarHBondContact CA-OG 3.43Å |
| 481 | V | 92.4 | Very high | 88.2 | Confident | 40 Ų | 40 | 50.5 Ų | 50.5 | 24% | 0.242 | 27% | 0.27 | C | S | . | . | trans | -70.6 | 132.2 | -179.3 | 174.8 | 0 | 0 | 0 | 0 | 109.8 | T437 S453 R483 G498 S499 | T437-V481 HydrophobicContact CG2-CG1 3.83Å; S453-V481 WeakPolarHBondContact O-CG2 3.49Å; V481-R483 PolarHBondContact O-N 3.2Å; V481-G498 CarbonylContact O-C 3.57Å; V481-G498 VanDerWaalsContact O-CA 3.26Å; V481-G498 WeakPolarHBondContact O-CA 3.4Å; V481-S499 PolarHBondContact N-OG 3.4Å; V481-S499 PolarHBondContact O-N 2.95Å | ||
| 482 | V | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.6 | 170.5 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | T437 A438 S452 V457 L485 C497 | T437-V482 VanDerWaalsContact CB-O 3.3Å; T437-V482 WeakPolarHBondContact CB-O 3.32Å; T437-V482 PolarHBondContact OG1-O 3.35Å; A438-V482 HydrophobicContact CB-CG1 4.36Å; S452-V482 PolarHBondContact O-N 3.08Å; V457-V482 HydrophobicContact CG2-CG1 4.14Å; V457-V482 HydrophobicContact CG2-CG2 3.8Å; V482-L485 HydrophobicContact CG1-CD1 4.38Å; V482-L485 HydrophobicContact CG1-CD2 4.05Å; V482-L485 HydrophobicContact CG1-CG 3.97Å; V482-C497 CarbonylContact C-O 3.54Å |
| 483 | R | 93.3 | Very high | 88.7 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 42% | 0.419 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -24 | -174 | -62.9 | -64.3 | -67.2 | -146.2 | -7.2 | 113.2 | V481 C497 P523 | V481-R483 PolarHBondContact O-N 3.2Å; R483-C497 PolarHBondContact N-O 2.99Å; R483-P523 VanDerWaalsContact CB-O 3.23Å; R483-P523 WeakPolarHBondContact CB-O 3.28Å; R483-P523 VanDerWaalsContact CG-O 3.29Å; R483-P523 WeakPolarHBondContact CG-O 3.32Å |
| 484 | G | 93.3 | Very high | 89.9 | Confident | 5 Ų | 5 | 47 Ų | 47 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 148.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C497 | G484-C497 WeakPolarHBondContact CA-SG 3.4Å; G484-C497 PolarHBondContact N-O 2.87Å; G484-C497 PolarHBondContact N-SG 2.81Å; G484-C497 PolarHBondContact O-N 2.8Å |
| 485 | L | 95.8 | Very high | 91.2 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 141.5 | -179.5 | -72.3 | 169.9 | 0 | 0 | 0 | 108.6 | A438 D440 V449 V457 V482 V495 S496 | A438-L485 HydrophobicContact CB-CB 4.4Å; A438-L485 HydrophobicContact CB-CD1 4Å; A438-L485 HydrophobicContact CB-CG 4.01Å; D440-L485 HydrophobicContact CB-CB 4.41Å; V449-L485 HydrophobicContact CG1-CD1 4.11Å; V449-L485 HydrophobicContact CG1-CD2 4.44Å; V457-L485 HydrophobicContact CG1-CD1 4.11Å; V457-L485 HydrophobicContact CG1-CD2 3.66Å; V457-L485 HydrophobicContact CG2-CD2 4.03Å; V482-L485 HydrophobicContact CG1-CD1 4.38Å; V482-L485 HydrophobicContact CG1-CD2 4.05Å; V482-L485 HydrophobicContact CG1-CG 3.97Å; L485-V495 WeakPolarHBondContact CA-O 3.05Å; L485-S496 VanDerWaalsContact CD2-CB 3.48Å |
| 486 | A | 95.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 144.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D440 T494 V495 L526 L528 | D440-A486 WeakPolarHBondContact OD2-CA 3.5Å; A486-T494 CarbonylContact O-C 3.56Å; A486-T494 WeakPolarHBondContact O-CA 3.26Å; A486-V495 PolarHBondContact N-O 2.66Å; A486-V495 PolarHBondContact O-N 2.81Å; A486-L526 HydrophobicContact CB-CD2 3.46Å; A486-L526 VanDerWaalsContact CB-CD2 3.46Å; A486-L528 HydrophobicContact CB-CB 3.54Å; A486-L528 HydrophobicContact CB-CD2 3.92Å; A486-L528 HydrophobicContact CB-CG 4.36Å |
| 487 | T | 94.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.3 | 175.9 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | D440 T442 V449 T494 L528 R530 | D440-T487 PolarHBondContact OD2-N 2.91Å; D440-T487 PolarHBondContact OD2-OG1 3.38Å; T442-T487 HydrophobicContact CG2-CG2 4.31Å; V449-T487 HydrophobicContact CG2-CG2 3.8Å; T487-T494 HydrophobicContact CG2-CG2 4Å; T487-L528 VanDerWaalsContact O-CD2 3.24Å; T487-L528 WeakPolarHBondContact O-CD2 3.43Å; T487-R530 PolarHBondContact O-NE 2.98Å |
| 488 | D | 93.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 13% | 0.134 | 17% | 0.169 | C | C | . | . | trans | -67.3 | 156.7 | 177 | 176.2 | 39.2 | 0 | 0 | 0 | 112.2 | L490 N491 L493 | D488-L490 VanDerWaalsContact C-N 3.29Å; D488-L490 PolarHBondContact O-N 3.41Å; D488-L490 PolarHBondContact OD2-N 2.98Å; D488-N491 PolarHBondContact O-N 3.38Å; D488-L493 HydrophobicContact CB-CB 4.34Å; D488-L493 WeakPolarHBondContact CB-O 3.11Å; D488-L493 PolarHBondContact N-O 2.97Å | ||
| 489 | T | 90.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 32.8 Ų | 32.8 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -37.9 | 177.9 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | S443 N491 R530 | S443-T489 PolarHBondContact OG-O 2.74Å; T489-N491 VanDerWaalsContact C-N 3.28Å; T489-N491 PolarHBondContact O-N 3.48Å; T489-R530 HydrophobicContact CG2-CB 3.43Å; T489-R530 VanDerWaalsContact CG2-CB 3.43Å; T489-R530 HydrophobicContact CG2-CG 3.83Å; T489-R530 WeakPolarHBondContact CG2-O 3.48Å |
| 490 | L | 91.2 | Very high | 93.2 | Very high | 125 Ų | 125 | 29.1 Ų | 29.1 | 65% | 0.654 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.5 | -178.1 | -61.8 | 173.8 | 0 | 0 | 0 | 113.3 | D488 Q492 | D488-L490 VanDerWaalsContact C-N 3.29Å; D488-L490 PolarHBondContact O-N 3.41Å; D488-L490 PolarHBondContact OD2-N 2.98Å; L490-Q492 HydrophobicContact CB-CG 3.94Å; L490-Q492 PolarHBondContact O-N 2.85Å |
| 491 | N | 90.5 | Very high | 93.4 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 15% | 0.15 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 52.6 | 36.1 | -174.8 | -55.4 | -62 | 0 | 0 | 0 | 113 | T442 S443 D488 T489 F508 | T442-N491 WeakPolarHBondContact CB-OD1 3.4Å; T442-N491 VanDerWaalsContact CG2-OD1 3.26Å; T442-N491 WeakPolarHBondContact CG2-OD1 2.95Å; S443-N491 PolarHBondContact OG-ND2 3.02Å; D488-N491 PolarHBondContact O-N 3.38Å; T489-N491 VanDerWaalsContact C-N 3.28Å; T489-N491 PolarHBondContact O-N 3.48Å; N491-F508 HydrophobicContact CB-CD1 4.3Å; N491-F508 VanDerWaalsContact O-CB 3.25Å; N491-F508 WeakPolarHBondContact O-CB 3.34Å; N491-F508 WeakPolarHBondContact O-CD1 3.37Å |
| 492 | Q | 92 | Very high | 93.5 | Very high | 89 Ų | 89 | 34.7 Ų | 34.7 | 42% | 0.416 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -95.4 | -39.8 | 175.6 | -62.7 | -60.1 | -27.8 | 0 | 0 | 111.6 | L490 R507 F508 | L490-Q492 HydrophobicContact CB-CG 3.94Å; L490-Q492 PolarHBondContact O-N 2.85Å; Q492-R507 CarbonylContact O-C 3.56Å; Q492-R507 WeakPolarHBondContact O-CA 3.24Å; Q492-F508 PolarHBondContact O-N 3.03Å |
| 493 | L | 94.1 | Very high | 93.5 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 15% | 0.152 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.3 | -176.3 | -68.6 | 167.2 | 0 | 0 | 0 | 111.4 | D488 W506 M549 | D488-L493 HydrophobicContact CB-CB 4.34Å; D488-L493 WeakPolarHBondContact CB-O 3.11Å; D488-L493 PolarHBondContact N-O 2.97Å; L493-W506 CarbonylContact C-O 3.46Å; L493-W506 WeakPolarHBondContact CA-O 3.4Å; L493-M549 HydrophobicContact CB-CE 3.94Å; L493-M549 HydrophobicContact CD1-CE 4.28Å |
| 494 | T | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.3 | 166.7 | -55.8 | 0 | 0 | 0 | 0 | 108 | V449 Y471 A486 T487 W506 F508 | V449-T494 HydrophobicContact CG1-CG2 4.44Å; Y471-T494 HydrophobicContact CE2-CG2 4.29Å; Y471-T494 PolarHBondContact OH-OG1 2.75Å; A486-T494 CarbonylContact O-C 3.56Å; A486-T494 WeakPolarHBondContact O-CA 3.26Å; T487-T494 HydrophobicContact CG2-CG2 4Å; T494-W506 PolarHBondContact N-O 2.79Å; T494-W506 PolarHBondContact O-N 3.42Å; T494-F508 WeakPolarHBondContact OG1-CD2 3.28Å |
| 495 | V | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.7 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | L485 A486 L503 K504 F505 L526 M549 | L485-V495 WeakPolarHBondContact CA-O 3.05Å; A486-V495 PolarHBondContact N-O 2.66Å; A486-V495 PolarHBondContact O-N 2.81Å; V495-L503 HydrophobicContact CG1-CD1 3.25Å; V495-L503 HydrophobicContact CG1-CD2 4.41Å; V495-L503 HydrophobicContact CG1-CG 3.86Å; V495-K504 WeakPolarHBondContact CA-O 3.44Å; V495-F505 HydrophobicContact CG2-CD1 3.66Å; V495-F505 HydrophobicContact CG2-CE1 3.75Å; V495-F505 HydrophobicContact CG2-CG 4.48Å; V495-L526 HydrophobicContact CG1-CD1 4.11Å; V495-M549 HydrophobicContact CG2-CE 3.42Å; V495-M549 VanDerWaalsContact CG2-CE 3.42Å; V495-M549 HydrophobicContact CG2-SD 3.33Å; V495-M549 WeakPolarHBondContact CG2-SD 3.49Å |
| 496 | S | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.9 | 171 | 66.7 | 0 | 0 | 0 | 0 | 110.8 | H478 L485 K504 W506 | H478-S496 WeakPolarHBondContact NE2-CB 3.43Å; H478-S496 PolarHBondContact NE2-OG 2.9Å; L485-S496 VanDerWaalsContact CD2-CB 3.48Å; S496-K504 PolarHBondContact N-O 2.72Å; S496-K504 PolarHBondContact O-N 2.71Å; S496-W506 PolarHBondContact OG-NE1 3Å |
| 497 | C | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 141.1 | 171.5 | 73.2 | 0 | 0 | 0 | 0 | 110.6 | V482 R483 G484 L503 P523 L526 M537 | V482-C497 CarbonylContact C-O 3.54Å; R483-C497 PolarHBondContact N-O 2.99Å; G484-C497 WeakPolarHBondContact CA-SG 3.4Å; G484-C497 PolarHBondContact N-O 2.87Å; G484-C497 PolarHBondContact N-SG 2.81Å; G484-C497 PolarHBondContact O-N 2.8Å; C497-L503 HydrophobicContact CB-CD1 3.83Å; C497-P523 HydrophobicContact CB-CB 4.4Å; C497-P523 HydrophobicContact CB-CG 3.71Å; C497-L526 HydrophobicContact CB-CD1 3.9Å; C497-M537 HydrophobicContact CB-CE 3.65Å |
| 498 | G | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 164.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V481 D500 W501 L502 P523 | V481-G498 CarbonylContact O-C 3.57Å; V481-G498 VanDerWaalsContact O-CA 3.26Å; V481-G498 WeakPolarHBondContact O-CA 3.4Å; G498-D500 WeakPolarHBondContact CA-OD1 3.25Å; G498-D500 PolarHBondContact O-N 3.14Å; G498-D500 VanDerWaalsContact O-N 3.08Å; G498-W501 PolarHBondContact O-N 2.95Å; G498-L502 PolarHBondContact N-O 3.21Å; G498-P523 WeakPolarHBondContact O-CD 3.26Å |
| 499 | S | 92.4 | Very high | 93.3 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -1.3 | 172.1 | 71.4 | 0 | 0 | 0 | 0 | 113.4 | G480 V481 W501 | G480-S499 WeakPolarHBondContact CA-OG 3.43Å; V481-S499 PolarHBondContact N-OG 3.4Å; V481-S499 PolarHBondContact O-N 2.95Å; S499-W501 PolarHBondContact O-N 3.18Å |
| 500 | D | 91.4 | Very high | 93.3 | Very high | 30 Ų | 30 | 44.2 Ų | 44.2 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 8.2 | 174.5 | 59.3 | -9.7 | 0 | 0 | 0 | 113.3 | H478 S479 G498 L502 | H478-D500 WeakPolarHBondContact CB-OD2 3.33Å; H478-D500 IonicContact CE1-OD1 3.18Å; H478-D500 IonicContact CG-OD1 3.85Å; H478-D500 IonicContact CG-OD2 3.8Å; H478-D500 VanDerWaalsContact ND1-CG 3.3Å; H478-D500 IonicContact ND1-OD1 3.13Å; H478-D500 PolarHBondContact ND1-OD1 2.76Å; H478-D500 IonicContact ND1-OD2 3.72Å; H478-D500 PolarHBondContact ND1-OD2 3.47Å; S479-D500 PolarHBondContact N-OD2 3.49Å; S479-D500 WeakPolarHBondContact OG-CB 3.36Å; G498-D500 WeakPolarHBondContact CA-OD1 3.25Å; G498-D500 PolarHBondContact O-N 3.14Å; G498-D500 VanDerWaalsContact O-N 3.08Å; D500-L502 PolarHBondContact O-N 2.85Å; D500-L502 PolarHBondContact OD1-N 2.86Å |
| 501 | W | 92.9 | Very high | 93.2 | Very high | 130 Ų | 130 | 43.1 Ų | 43.1 | 49% | 0.492 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 64.9 | 21.8 | 179.7 | -45.2 | -20.1 | 0 | 0 | 0 | 113.1 | G498 S499 L519 A522 | G498-W501 PolarHBondContact O-N 2.95Å; S499-W501 PolarHBondContact O-N 3.18Å; W501-L519 WeakPolarHBondContact O-CB 3.36Å; W501-L519 PolarHBondContact O-N 2.72Å; W501-A522 VanDerWaalsContact CD1-CB 3.5Å; W501-A522 VanDerWaalsContact CD1-N 3.31Å |
| 502 | L | 94.1 | Very high | 93.2 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.9 | 179.8 | -58.6 | 179.7 | 0 | 0 | 0 | 110.7 | H478 G498 D500 K504 V516 K518 | H478-L502 PolarHBondContact CE1-O 3.29Å; G498-L502 PolarHBondContact N-O 3.21Å; D500-L502 PolarHBondContact O-N 2.85Å; D500-L502 PolarHBondContact OD1-N 2.86Å; L502-K504 HydrophobicContact CB-CG 4.41Å; L502-V516 HydrophobicContact CB-CG1 4.19Å; L502-V516 HydrophobicContact CD1-CG1 4.22Å; L502-V516 HydrophobicContact CD2-CG1 3.87Å; L502-V516 HydrophobicContact CG-CG1 4.31Å; L502-K518 HydrophobicContact CD2-CB 4.32Å; L502-K518 HydrophobicContact CD2-CG 4.41Å |
| 503 | L | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.5 | 163.4 | -173.7 | 68.2 | 0 | 0 | 0 | 108.2 | V495 C497 F505 V516 L517 L519 L526 M537 V547 | V495-L503 HydrophobicContact CG1-CD1 3.25Å; V495-L503 HydrophobicContact CG1-CD2 4.41Å; V495-L503 HydrophobicContact CG1-CG 3.86Å; C497-L503 HydrophobicContact CB-CD1 3.83Å; L503-F505 HydrophobicContact CD2-CE2 4.09Å; L503-F505 HydrophobicContact CD2-CZ 4.08Å; L503-F505 HydrophobicContact CG-CE2 4.26Å; L503-V516 WeakPolarHBondContact O-CA 3.42Å; L503-L517 HydrophobicContact CB-CB 4.27Å; L503-L517 HydrophobicContact CD2-CD1 4.32Å; L503-L517 PolarHBondContact N-O 3.3Å; L503-L517 PolarHBondContact O-N 2.88Å; L503-L519 HydrophobicContact CB-CD1 4.33Å; L503-L526 HydrophobicContact CD1-CD1 3.82Å; L503-M537 HydrophobicContact CD1-CE 3.93Å; L503-M537 HydrophobicContact CD1-SD 3.68Å; L503-M537 HydrophobicContact CD2-SD 3.8Å; L503-M537 HydrophobicContact CG-SD 4.27Å; L503-V547 HydrophobicContact CD2-CB 4.43Å; L503-V547 HydrophobicContact CD2-CG1 4.21Å; L503-V547 HydrophobicContact CD2-CG2 4.16Å |
| 504 | K | 94.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133 | -176.4 | -63.2 | -172.5 | 173.2 | -165.9 | 0 | 110.8 | A477 V495 S496 L502 W506 V516 | A477-K504 WeakPolarHBondContact O-CD 3.48Å; A477-K504 WeakPolarHBondContact O-CE 3.34Å; A477-K504 PolarHBondContact O-NZ 2.83Å; V495-K504 WeakPolarHBondContact CA-O 3.44Å; S496-K504 PolarHBondContact N-O 2.72Å; S496-K504 PolarHBondContact O-N 2.71Å; L502-K504 HydrophobicContact CB-CG 4.41Å; K504-W506 HydrophobicContact CB-CZ2 3.9Å; K504-W506 HydrophobicContact CD-CH2 4.25Å; K504-W506 HydrophobicContact CD-CZ2 3.59Å; K504-W506 HydrophobicContact CG-CZ2 4.41Å; K504-V516 HydrophobicContact CG-CG1 4.23Å; K504-V516 HydrophobicContact CG-CG2 4.14Å |
| 505 | F | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.1 | 173.9 | -64.4 | -98.1 | 0 | 0 | 0 | 109.3 | V495 L503 E514 V515 L517 V547 M549 K552 | V495-F505 HydrophobicContact CG2-CD1 3.66Å; V495-F505 HydrophobicContact CG2-CE1 3.75Å; V495-F505 HydrophobicContact CG2-CG 4.48Å; L503-F505 HydrophobicContact CD2-CE2 4.09Å; L503-F505 HydrophobicContact CD2-CZ 4.08Å; L503-F505 HydrophobicContact CG-CE2 4.26Å; F505-E514 PolarHBondContact O-N 2.88Å; F505-V515 HydrophobicContact CB-CB 4.36Å; F505-V515 HydrophobicContact CD2-CB 4.06Å; F505-V515 HydrophobicContact CD2-CG1 4.29Å; F505-V515 PolarHBondContact N-O 3.42Å; F505-L517 HydrophobicContact CE2-CD1 3.65Å; F505-L517 HydrophobicContact CE2-CG 4.05Å; F505-L517 HydrophobicContact CZ-CD1 4.17Å; F505-V547 HydrophobicContact CZ-CG1 4.18Å; F505-M549 HydrophobicContact CD1-CE 4.27Å; F505-M549 HydrophobicContact CD1-SD 4.3Å; F505-M549 HydrophobicContact CE1-CE 4.2Å; F505-M549 HydrophobicContact CE1-SD 3.66Å; F505-K552 HydrophobicContact CD1-CG 4.43Å; F505-K552 HydrophobicContact CE1-CG 4.26Å; F505-K552 HydrophobicContact CE2-CB 4.42Å; F505-K552 HydrophobicContact CZ-CB 4.32Å; F505-K552 HydrophobicContact CZ-CG 4.38Å |
| 506 | W | 94.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.1 | -178.1 | -51.7 | 88.4 | 0 | 0 | 0 | 109.6 | Y471 A477 L493 T494 S496 K504 F508 K512 Q513 | Y471-W506 HydrophobicContact CD1-CB 3.6Å; Y471-W506 AromaticContact CD1-CD2 3.83Å; Y471-W506 HydrophobicContact CD1-CD2 3.83Å; Y471-W506 AromaticContact CD1-CE3 3.88Å; Y471-W506 HydrophobicContact CD1-CE3 3.88Å; Y471-W506 AromaticContact CD1-CG 3.72Å; Y471-W506 HydrophobicContact CD1-CG 3.72Å; Y471-W506 HydrophobicContact CE1-CB 3.61Å; Y471-W506 HydrophobicContact CE1-CG 4.16Å; Y471-W506 HydrophobicContact CG-CD2 4.15Å; Y471-W506 HydrophobicContact CG-CE3 4.3Å; Y471-W506 HydrophobicContact CG-CG 4.24Å; A477-W506 HydrophobicContact CB-CH2 4.06Å; A477-W506 HydrophobicContact CB-CZ2 3.62Å; L493-W506 CarbonylContact C-O 3.46Å; L493-W506 WeakPolarHBondContact CA-O 3.4Å; T494-W506 PolarHBondContact N-O 2.79Å; T494-W506 PolarHBondContact O-N 3.42Å; S496-W506 PolarHBondContact OG-NE1 3Å; K504-W506 HydrophobicContact CB-CZ2 3.9Å; K504-W506 HydrophobicContact CD-CH2 4.25Å; K504-W506 HydrophobicContact CD-CZ2 3.59Å; K504-W506 HydrophobicContact CG-CZ2 4.41Å; W506-F508 PolarHBondContact O-N 3.43Å; W506-K512 WeakPolarHBondContact CA-O 3.4Å; W506-Q513 HydrophobicContact CE3-CB 3.88Å; W506-Q513 HydrophobicContact CE3-CG 4.41Å; W506-Q513 HydrophobicContact CH2-CB 4.29Å; W506-Q513 HydrophobicContact CH2-CG 4.39Å; W506-Q513 HydrophobicContact CZ3-CB 3.69Å; W506-Q513 HydrophobicContact CZ3-CG 4.22Å |
| 507 | R | 94.1 | Very high | 92.8 | Very high | 123 Ų | 123 | 57.1 Ų | 57.1 | 46% | 0.464 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 122.1 | 167 | -175.7 | 171.9 | -64.7 | -165.9 | -2.4 | 109.1 | Q492 K509 T510 R511 K512 E514 | Q492-R507 CarbonylContact O-C 3.56Å; Q492-R507 WeakPolarHBondContact O-CA 3.24Å; R507-K509 PolarHBondContact O-N 2.85Å; R507-T510 WeakPolarHBondContact CB-OG1 3.41Å; R507-T510 WeakPolarHBondContact CD-OG1 3.34Å; R507-T510 WeakPolarHBondContact CG-OG1 3.26Å; R507-R511 WeakPolarHBondContact O-CA 3.45Å; R507-R511 PolarHBondContact O-N 2.85Å; R507-K512 PolarHBondContact N-O 2.88Å; R507-E514 HydrophobicContact CB-CG 4.34Å; R507-E514 IonicContact CZ-OE1 2.93Å; R507-E514 IonicContact NE-OE1 3.47Å; R507-E514 PolarHBondContact NE-OE1 3Å; R507-E514 IonicContact NH2-OE1 2.82Å; R507-E514 PolarHBondContact NH2-OE1 2.73Å |
| 508 | F | 92.3 | Very high | 92.8 | Very high | 22 Ų | 22 | 65 Ų | 65 | 10% | 0.096 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -49.4 | -170 | -179.1 | -95.2 | 0 | 0 | 0 | 113 | T442 F447 V449 V459 Y471 N491 Q492 T494 W506 | T442-F508 HydrophobicContact CG2-CE2 3.82Å; T442-F508 HydrophobicContact CG2-CZ 3.92Å; F447-F508 HydrophobicContact CB-CZ 4.01Å; F447-F508 HydrophobicContact CD2-CE1 4.02Å; F447-F508 AromaticContact CD2-CZ 3.65Å; F447-F508 HydrophobicContact CD2-CZ 3.65Å; F447-F508 HydrophobicContact CE2-CE1 4.2Å; F447-F508 HydrophobicContact CE2-CZ 4.27Å; F447-F508 AromaticContact CG-CZ 3.86Å; F447-F508 HydrophobicContact CG-CZ 3.86Å; V449-F508 HydrophobicContact CG2-CE2 4.43Å; V459-F508 HydrophobicContact CG1-CZ 4.44Å; Y471-F508 WeakPolarHBondContact OH-CD2 3.48Å; N491-F508 HydrophobicContact CB-CD1 4.3Å; N491-F508 VanDerWaalsContact O-CB 3.25Å; N491-F508 WeakPolarHBondContact O-CB 3.34Å; N491-F508 WeakPolarHBondContact O-CD1 3.37Å; Q492-F508 PolarHBondContact O-N 3.03Å; T494-F508 WeakPolarHBondContact OG1-CD2 3.28Å; W506-F508 PolarHBondContact O-N 3.43Å |
| 509 | K | 90.3 | Very high | 92.7 | Very high | 157 Ų | 157 | 65.5 Ų | 65.5 | 68% | 0.683 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -44 | -176.4 | -68.3 | -175.4 | 179.9 | 179.2 | 0 | 113.4 | R507 | R507-K509 PolarHBondContact O-N 2.85Š|
| 510 | T | 89 | Confident | 92.5 | Very high | 71 Ų | 71 | 67 Ų | 67 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -20.6 | -175.5 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | R507 K512 | R507-T510 WeakPolarHBondContact CB-OG1 3.41Å; R507-T510 WeakPolarHBondContact CD-OG1 3.34Å; R507-T510 WeakPolarHBondContact CG-OG1 3.26Å; T510-K512 PolarHBondContact O-N 2.97Å |
| 511 | R | 90.1 | Very high | 92.5 | Very high | 101 Ų | 101 | 66.3 Ų | 66.3 | 38% | 0.381 | 31% | 0.312 | S | S | . | . | trans | 59.9 | 15 | -174.1 | -58.1 | 164.8 | -70.1 | -147.9 | 3.1 | 114.1 | R468 Y471 R507 | R468-R511 PolarHBondContact O-NH1 2.8Å; Y471-R511 HydrophobicContact CD1-CB 3.78Å; Y471-R511 HydrophobicContact CD1-CG 4.02Å; Y471-R511 HydrophobicContact CE1-CB 4.02Å; Y471-R511 HydrophobicContact CE1-CG 3.84Å; R507-R511 WeakPolarHBondContact O-CA 3.45Å; R507-R511 PolarHBondContact O-N 2.85Å | ||
| 512 | K | 90.3 | Very high | 92.5 | Very high | 146 Ų | 146 | 60.6 Ų | 60.6 | 64% | 0.635 | 29% | 0.293 | S | S | * | . | trans | -78.7 | 142.3 | 174.7 | -67.7 | -170.8 | 175.3 | -172.4 | 0 | 110 | W506 R507 T510 | W506-K512 WeakPolarHBondContact CA-O 3.4Å; R507-K512 PolarHBondContact N-O 2.88Å; T510-K512 PolarHBondContact O-N 2.97Å | ||
| 513 | Q | 92.1 | Very high | 92.4 | Very high | 91 Ų | 91 | 58.6 Ų | 58.6 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131.5 | 172.5 | -167.7 | -175.1 | -86.4 | 0 | 0 | 109.2 | W506 V516 | W506-Q513 HydrophobicContact CE3-CB 3.88Å; W506-Q513 HydrophobicContact CE3-CG 4.41Å; W506-Q513 HydrophobicContact CH2-CB 4.29Å; W506-Q513 HydrophobicContact CH2-CG 4.39Å; W506-Q513 HydrophobicContact CZ3-CB 3.69Å; W506-Q513 HydrophobicContact CZ3-CG 4.22Å; Q513-V516 HydrophobicContact CG-CG2 4.1Å |
| 514 | E | 90.4 | Very high | 92.2 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -55.1 | 174.6 | -68.6 | -164 | 169.6 | 0 | 0 | 111.7 | F505 R507 K552 | F505-E514 PolarHBondContact O-N 2.88Å; R507-E514 HydrophobicContact CB-CG 4.34Å; R507-E514 IonicContact CZ-OE1 2.93Å; R507-E514 IonicContact NE-OE1 3.47Å; R507-E514 PolarHBondContact NE-OE1 3Å; R507-E514 IonicContact NH2-OE1 2.82Å; R507-E514 PolarHBondContact NH2-OE1 2.73Å; E514-K552 IonicContact OE2-NZ 2.65Å; E514-K552 PolarHBondContact OE2-NZ 2.75Å |
| 515 | V | 93.1 | Very high | 92.1 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 28% | 0.279 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 146.1 | -172.2 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | F505 L517 K552 | F505-V515 HydrophobicContact CB-CB 4.36Å; F505-V515 HydrophobicContact CD2-CB 4.06Å; F505-V515 HydrophobicContact CD2-CG1 4.29Å; F505-V515 PolarHBondContact N-O 3.42Å; V515-L517 HydrophobicContact CG1-CD2 4.3Å; V515-L517 HydrophobicContact CG1-CG 4.36Å; V515-K552 HydrophobicContact CB-CD 4.18Å; V515-K552 HydrophobicContact CG2-CD 3.71Å |
| 516 | V | 94.3 | Very high | 92.1 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.4 | 171.9 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | L502 L503 K504 Q513 | L502-V516 HydrophobicContact CB-CG1 4.19Å; L502-V516 HydrophobicContact CD1-CG1 4.22Å; L502-V516 HydrophobicContact CD2-CG1 3.87Å; L502-V516 HydrophobicContact CG-CG1 4.31Å; L503-V516 WeakPolarHBondContact O-CA 3.42Å; K504-V516 HydrophobicContact CG-CG1 4.23Å; K504-V516 HydrophobicContact CG-CG2 4.14Å; Q513-V516 HydrophobicContact CG-CG2 4.1Å |
| 517 | L | 94.3 | Very high | 92.1 | Very high | 37 Ų | 37 | 62.8 Ų | 62.8 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.9 | 171.4 | -62.5 | 175.4 | 0 | 0 | 0 | 109 | L503 F505 V515 V547 K552 | L503-L517 HydrophobicContact CB-CB 4.27Å; L503-L517 HydrophobicContact CD2-CD1 4.32Å; L503-L517 PolarHBondContact N-O 3.3Å; L503-L517 PolarHBondContact O-N 2.88Å; F505-L517 HydrophobicContact CE2-CD1 3.65Å; F505-L517 HydrophobicContact CE2-CG 4.05Å; F505-L517 HydrophobicContact CZ-CD1 4.17Å; V515-L517 HydrophobicContact CG1-CD2 4.3Å; V515-L517 HydrophobicContact CG1-CG 4.36Å; L517-V547 HydrophobicContact CD1-CG1 4.03Å; L517-K552 VanDerWaalsContact CD1-O 3.32Å; L517-K552 WeakPolarHBondContact CD1-O 3.39Å |
| 518 | K | 93.8 | Very high | 92.2 | Very high | 165 Ų | 165 | 58.4 Ų | 58.4 | 72% | 0.717 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.8 | 173.6 | -173.5 | 177.2 | 179.5 | -178.8 | 0 | 109.3 | L502 | L502-K518 HydrophobicContact CD2-CB 4.32Å; L502-K518 HydrophobicContact CD2-CG 4.41Å |
| 519 | L | 92.5 | Very high | 92.3 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | trans | -94.9 | 164.4 | -179.8 | -56.3 | 174.2 | 0 | 0 | 0 | 110.8 | W501 L503 P523 M537 M539 | W501-L519 WeakPolarHBondContact O-CB 3.36Å; W501-L519 PolarHBondContact O-N 2.72Å; L503-L519 HydrophobicContact CB-CD1 4.33Å; L519-P523 HydrophobicContact CD1-CB 4.43Å; L519-P523 HydrophobicContact CD1-CG 4.03Å; L519-M537 HydrophobicContact CD1-CE 3.43Å; L519-M537 VanDerWaalsContact CD1-CE 3.43Å; L519-M537 HydrophobicContact CD1-SD 4.34Å; L519-M539 HydrophobicContact CB-CE 3.97Å; L519-M539 HydrophobicContact CD1-CE 4.02Å; L519-M539 HydrophobicContact CD1-SD 4.48Å | ||
| 520 | S | 88.3 | Confident | 92.3 | Very high | 80 Ų | 80 | 54.1 Ų | 54.1 | 56% | 0.559 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -73.3 | -31.4 | 176.6 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 521 | A | 91.5 | Very high | 92.4 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 12% | 0.124 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -140.9 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M539 D541 | A521-M539 HydrophobicContact CB-CB 4.3Å; A521-M539 HydrophobicContact CB-CE 3.92Å; A521-M539 WeakPolarHBondContact O-CE 3.39Å; A521-D541 HydrophobicContact CB-CB 4.19Å |
| 522 | A | 91.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | trans | -78 | 133.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | W501 M539 D540 | W501-A522 VanDerWaalsContact CD1-CB 3.5Å; W501-A522 VanDerWaalsContact CD1-N 3.31Å; A522-M539 CarbonylContact O-C 3.55Å; A522-M539 WeakPolarHBondContact O-CA 3.33Å; A522-D540 WeakPolarHBondContact CB-OD2 3.4Å; A522-D540 PolarHBondContact O-N 2.81Å | ||
| 523 | P | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 131.5 | 173.9 | 29.5 | -30.2 | 0 | 0 | 0 | 111.5 | R483 C497 G498 L519 M537 A538 M539 | R483-P523 VanDerWaalsContact CB-O 3.23Å; R483-P523 WeakPolarHBondContact CB-O 3.28Å; R483-P523 VanDerWaalsContact CG-O 3.29Å; R483-P523 WeakPolarHBondContact CG-O 3.32Å; C497-P523 HydrophobicContact CB-CB 4.4Å; C497-P523 HydrophobicContact CB-CG 3.71Å; G498-P523 WeakPolarHBondContact O-CD 3.26Å; L519-P523 HydrophobicContact CD1-CB 4.43Å; L519-P523 HydrophobicContact CD1-CG 4.03Å; P523-M537 HydrophobicContact CB-CE 3.32Å; P523-M537 HydrophobicContact CG-CE 3.63Å; P523-A538 CarbonylContact C-O 3.5Å; P523-A538 WeakPolarHBondContact CA-O 3.5Å; P523-M539 HydrophobicContact CB-CE 4.22Å; P523-M539 HydrophobicContact CB-SD 3.94Å |
| 524 | A | 91.6 | Very high | 92.8 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -47.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A538 | A524-A538 PolarHBondContact N-O 2.84Å |
| 525 | I | 92 | Very high | 93.1 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 147.7 | -170.1 | -56.5 | 172.2 | 0 | 0 | 0 | 109.4 | M537 A538 T566 M568 | I525-M537 WeakPolarHBondContact O-CA 3.26Å; I525-A538 HydrophobicContact CB-CB 4.49Å; I525-A538 PolarHBondContact N-O 2.96Å; I525-A538 PolarHBondContact O-N 3.21Å; I525-A538 VanDerWaalsContact O-N 3.11Å; I525-T566 WeakPolarHBondContact CD1-O 3.48Å; I525-M568 HydrophobicContact CB-CE 4.03Å; I525-M568 HydrophobicContact CG2-CE 4.14Å |
| 526 | L | 95.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 133.1 | 174.8 | -174.9 | 147.7 | 0 | 0 | 0 | 110.2 | A486 V495 C497 L503 V535 A536 M537 | A486-L526 HydrophobicContact CB-CD2 3.46Å; A486-L526 VanDerWaalsContact CB-CD2 3.46Å; V495-L526 HydrophobicContact CG1-CD1 4.11Å; C497-L526 HydrophobicContact CB-CD1 3.9Å; L503-L526 HydrophobicContact CD1-CD1 3.82Å; L526-V535 HydrophobicContact CD1-CG1 3.84Å; L526-V535 HydrophobicContact CD2-CG1 4.06Å; L526-V535 HydrophobicContact CG-CG1 3.7Å; L526-A536 WeakPolarHBondContact CA-O 3.43Å; L526-M537 HydrophobicContact CD1-CE 4.28Å; L526-M537 HydrophobicContact CD1-CG 4.12Å; L526-M537 HydrophobicContact CD1-SD 4.08Å; L526-M537 HydrophobicContact CG-CG 4.22Å |
| 527 | R | 95.4 | Very high | 93.3 | Very high | 69 Ų | 69 | 38.3 Ų | 38.3 | 26% | 0.26 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.1 | 172.3 | -66 | -65.5 | -177.4 | -128.9 | -1.4 | 109.9 | V535 A536 D567 M568 F570 | R527-V535 CarbonylContact O-C 3.58Å; R527-V535 WeakPolarHBondContact O-CA 3.16Å; R527-A536 PolarHBondContact N-O 2.78Å; R527-A536 PolarHBondContact O-N 3.44Å; R527-D567 IonicContact CZ-OD1 3.4Å; R527-D567 IonicContact NE-OD1 3.48Å; R527-D567 IonicContact NH2-OD1 2.78Å; R527-D567 PolarHBondContact NH2-OD1 2.91Å; R527-D567 IonicContact NH2-OD2 2.8Å; R527-M568 HydrophobicContact CB-CG 4.01Å; R527-M568 HydrophobicContact CB-SD 4.25Å; R527-M568 HydrophobicContact CG-CG 3.42Å; R527-M568 VanDerWaalsContact CG-CG 3.42Å; R527-M568 WeakPolarHBondContact CG-O 3.41Å; R527-M568 HydrophobicContact CG-SD 4.09Å; R527-F570 HydrophobicContact CB-CE2 4.39Å |
| 528 | L | 95.1 | Very high | 93.4 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 17% | 0.168 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.8 | 174.5 | 171.1 | 69.3 | 0 | 0 | 0 | 108.6 | A486 T487 R530 V535 M549 | A486-L528 HydrophobicContact CB-CB 3.54Å; A486-L528 HydrophobicContact CB-CD2 3.92Å; A486-L528 HydrophobicContact CB-CG 4.36Å; T487-L528 VanDerWaalsContact O-CD2 3.24Å; T487-L528 WeakPolarHBondContact O-CD2 3.43Å; L528-R530 HydrophobicContact CD2-CG 3.99Å; L528-R530 HydrophobicContact CG-CG 4.2Å; L528-R530 PolarHBondContact O-N 3.45Å; L528-V535 HydrophobicContact CB-CG2 4.33Å; L528-V535 HydrophobicContact CD1-CG2 3.5Å; L528-V535 VanDerWaalsContact CD1-CG2 3.5Å; L528-V535 HydrophobicContact CG-CG2 4.48Å; L528-M549 HydrophobicContact CD1-CG 3.81Å; L528-M549 HydrophobicContact CD1-SD 4.42Å |
| 529 | H | 95.1 | Very high | 93.4 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 11% | 0.106 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 107.8 | 160.9 | -168.4 | -110.7 | 0 | 0 | 0 | 108.5 | D531 S532 G533 M534 F570 S571 P572 | H529-D531 PolarHBondContact O-N 3.33Å; H529-S532 WeakPolarHBondContact ND1-CB 3.49Å; H529-S532 PolarHBondContact ND1-N 2.73Å; H529-S532 PolarHBondContact ND1-OG 3.37Å; H529-G533 WeakPolarHBondContact O-CA 3.38Å; H529-G533 PolarHBondContact O-N 3.36Å; H529-M534 PolarHBondContact N-O 3.44Å; H529-M534 PolarHBondContact O-N 3.25Å; H529-F570 HydrophobicContact CB-CB 4.08Å; H529-F570 HydrophobicContact CB-CD1 4.06Å; H529-F570 HydrophobicContact CB-CD2 3.69Å; H529-F570 HydrophobicContact CB-CE1 4.34Å; H529-F570 HydrophobicContact CB-CE2 4Å; H529-F570 HydrophobicContact CB-CG 3.69Å; H529-F570 HydrophobicContact CB-CZ 4.3Å; H529-S571 PolarHBondContact NE2-O 3.09Å; H529-P572 PolarHBondContact CE1-O 3.42Å; H529-P572 PolarHBondContact NE2-O 2.9Å |
| 530 | R | 90.6 | Very high | 93.4 | Very high | 66 Ų | 66 | 32.6 Ų | 32.6 | 25% | 0.249 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -33.5 | -168.7 | -90.6 | -176 | -175.8 | 172.5 | 7.5 | 113.6 | D440 I441 T487 T489 L528 | D440-R530 IonicContact OD1-NH2 3.72Å; D440-R530 PolarHBondContact OD1-NH2 2.88Å; D440-R530 VanDerWaalsContact OD1-NH2 3.13Å; D440-R530 IonicContact OD2-NH2 2.7Å; D440-R530 PolarHBondContact OD2-NH2 3.32Å; I441-R530 PolarHBondContact O-NH2 3.13Å; T487-R530 PolarHBondContact O-NE 2.98Å; T489-R530 HydrophobicContact CG2-CB 3.43Å; T489-R530 VanDerWaalsContact CG2-CB 3.43Å; T489-R530 HydrophobicContact CG2-CG 3.83Å; T489-R530 WeakPolarHBondContact CG2-O 3.48Å; L528-R530 HydrophobicContact CD2-CG 3.99Å; L528-R530 HydrophobicContact CG-CG 4.2Å; L528-R530 PolarHBondContact O-N 3.45Å |
| 531 | D | 91.3 | Very high | 93.5 | Very high | 139 Ų | 139 | 32.1 Ų | 32.1 | 74% | 0.743 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -33.7 | -174.7 | -62.3 | -18.8 | 0 | 0 | 0 | 112.3 | H529 | H529-D531 PolarHBondContact O-N 3.33Š|
| 532 | S | 92.6 | Very high | 93.6 | Very high | 47 Ų | 47 | 34.5 Ų | 34.5 | 33% | 0.329 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -9.8 | 176.5 | 71.1 | 0 | 0 | 0 | 0 | 114 | H529 M534 | H529-S532 WeakPolarHBondContact ND1-CB 3.49Å; H529-S532 PolarHBondContact ND1-N 2.73Å; H529-S532 PolarHBondContact ND1-OG 3.37Å; S532-M534 PolarHBondContact O-N 3.38Å; S532-M534 VanDerWaalsContact OG-CE 3.26Å; S532-M534 WeakPolarHBondContact OG-CE 3.46Å; S532-M534 WeakPolarHBondContact OG-CG 3.45Å; S532-M534 PolarHBondContact OG-N 3.18Å |
| 533 | G | 92.8 | Very high | 93.8 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 22.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | H529 M549 | H529-G533 WeakPolarHBondContact O-CA 3.38Å; H529-G533 PolarHBondContact O-N 3.36Å; G533-M549 WeakPolarHBondContact O-CB 3.04Å; G533-M549 WeakPolarHBondContact O-CG 3.43Å; G533-M549 PolarHBondContact O-N 2.98Å |
| 534 | M | 95.1 | Very high | 93.9 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 20% | 0.202 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131.8 | 179.6 | -67 | -169.3 | -71.3 | 0 | 0 | 111.7 | H529 S532 V546 F570 G574 L591 | H529-M534 PolarHBondContact N-O 3.44Å; H529-M534 PolarHBondContact O-N 3.25Å; S532-M534 PolarHBondContact O-N 3.38Å; S532-M534 VanDerWaalsContact OG-CE 3.26Å; S532-M534 WeakPolarHBondContact OG-CE 3.46Å; S532-M534 WeakPolarHBondContact OG-CG 3.45Å; S532-M534 PolarHBondContact OG-N 3.18Å; M534-V546 HydrophobicContact CB-CG1 4.31Å; M534-V546 HydrophobicContact SD-CG1 4.45Å; M534-F570 HydrophobicContact CB-CE1 4.31Å; M534-F570 HydrophobicContact CB-CZ 4.22Å; M534-G574 WeakPolarHBondContact CE-O 3.41Å; M534-L591 HydrophobicContact CE-CD2 3.53Å; M534-L591 HydrophobicContact SD-CD2 3.57Å; M534-L591 VanDerWaalsContact SD-CD2 3.57Å |
| 535 | V | 96 | Very high | 94.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.9 | 174.7 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | L526 R527 L528 M537 V546 V547 M549 | L526-V535 HydrophobicContact CD1-CG1 3.84Å; L526-V535 HydrophobicContact CD2-CG1 4.06Å; L526-V535 HydrophobicContact CG-CG1 3.7Å; R527-V535 CarbonylContact O-C 3.58Å; R527-V535 WeakPolarHBondContact O-CA 3.16Å; L528-V535 HydrophobicContact CB-CG2 4.33Å; L528-V535 HydrophobicContact CD1-CG2 3.5Å; L528-V535 VanDerWaalsContact CD1-CG2 3.5Å; L528-V535 HydrophobicContact CG-CG2 4.48Å; V535-M537 HydrophobicContact CG1-CG 3.98Å; V535-M537 HydrophobicContact CG1-SD 4.39Å; V535-V546 CarbonylContact O-C 3.59Å; V535-V546 VanDerWaalsContact O-CA 3.31Å; V535-V546 WeakPolarHBondContact O-CA 3.46Å; V535-V547 HydrophobicContact CB-CB 4.5Å; V535-V547 PolarHBondContact N-O 2.8Å; V535-V547 PolarHBondContact O-N 2.94Å; V535-M549 HydrophobicContact CG2-CG 3.77Å; V535-M549 HydrophobicContact CG2-SD 3.51Å; V535-M549 VanDerWaalsContact CG2-SD 3.51Å |
| 536 | A | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 141.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L526 R527 V546 M568 F570 L577 | L526-A536 WeakPolarHBondContact CA-O 3.43Å; R527-A536 PolarHBondContact N-O 2.78Å; R527-A536 PolarHBondContact O-N 3.44Å; A536-V546 HydrophobicContact CB-CG2 4.48Å; A536-M568 HydrophobicContact CB-SD 3.82Å; A536-F570 HydrophobicContact CB-CE1 4.36Å; A536-F570 HydrophobicContact CB-CE2 3.52Å; A536-F570 HydrophobicContact CB-CZ 3.37Å; A536-L577 HydrophobicContact CB-CD1 3.79Å; A536-L577 HydrophobicContact CB-CD2 4.03Å |
| 537 | M | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 129.6 | 179.2 | -58.5 | 179.9 | 59.1 | 0 | 0 | 109.6 | C497 L503 L519 P523 I525 L526 V535 M539 L544 V545 | C497-M537 HydrophobicContact CB-CE 3.65Å; L503-M537 HydrophobicContact CD1-CE 3.93Å; L503-M537 HydrophobicContact CD1-SD 3.68Å; L503-M537 HydrophobicContact CD2-SD 3.8Å; L503-M537 HydrophobicContact CG-SD 4.27Å; L519-M537 HydrophobicContact CD1-CE 3.43Å; L519-M537 VanDerWaalsContact CD1-CE 3.43Å; L519-M537 HydrophobicContact CD1-SD 4.34Å; P523-M537 HydrophobicContact CB-CE 3.32Å; P523-M537 HydrophobicContact CG-CE 3.63Å; I525-M537 WeakPolarHBondContact O-CA 3.26Å; L526-M537 HydrophobicContact CD1-CE 4.28Å; L526-M537 HydrophobicContact CD1-CG 4.12Å; L526-M537 HydrophobicContact CD1-SD 4.08Å; L526-M537 HydrophobicContact CG-CG 4.22Å; V535-M537 HydrophobicContact CG1-CG 3.98Å; V535-M537 HydrophobicContact CG1-SD 4.39Å; M537-M539 HydrophobicContact CB-SD 4.24Å; M537-L544 WeakPolarHBondContact O-CA 3.34Å; M537-V545 PolarHBondContact N-O 2.8Å; M537-V545 PolarHBondContact O-N 3.37Å |
| 538 | A | 95.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P523 A524 I525 L544 I565 M568 | P523-A538 CarbonylContact C-O 3.5Å; P523-A538 WeakPolarHBondContact CA-O 3.5Å; A524-A538 PolarHBondContact N-O 2.84Å; I525-A538 HydrophobicContact CB-CB 4.49Å; I525-A538 PolarHBondContact N-O 2.96Å; I525-A538 PolarHBondContact O-N 3.21Å; I525-A538 VanDerWaalsContact O-N 3.11Å; A538-L544 HydrophobicContact CB-CD2 4.02Å; A538-I565 HydrophobicContact CB-CB 3.85Å; A538-I565 HydrophobicContact CB-CD1 3.95Å; A538-I565 HydrophobicContact CB-CG1 4.43Å; A538-I565 HydrophobicContact CB-CG2 3.91Å; A538-M568 HydrophobicContact CB-CE 3.16Å; A538-M568 VanDerWaalsContact N-CE 3.29Å |
| 539 | M | 94.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 157.7 | -178.7 | -53.8 | -52 | -65.1 | 0 | 0 | 110.2 | L519 A521 A522 P523 M537 D541 F542 T543 V545 | L519-M539 HydrophobicContact CB-CE 3.97Å; L519-M539 HydrophobicContact CD1-CE 4.02Å; L519-M539 HydrophobicContact CD1-SD 4.48Å; A521-M539 HydrophobicContact CB-CB 4.3Å; A521-M539 HydrophobicContact CB-CE 3.92Å; A521-M539 WeakPolarHBondContact O-CE 3.39Å; A522-M539 CarbonylContact O-C 3.55Å; A522-M539 WeakPolarHBondContact O-CA 3.33Å; P523-M539 HydrophobicContact CB-CE 4.22Å; P523-M539 HydrophobicContact CB-SD 3.94Å; M537-M539 HydrophobicContact CB-SD 4.24Å; M539-D541 WeakPolarHBondContact CB-OD1 3.49Å; M539-D541 PolarHBondContact O-N 3.08Å; M539-F542 PolarHBondContact O-N 2.79Å; M539-T543 WeakPolarHBondContact CB-O 3.43Å; M539-T543 WeakPolarHBondContact CG-O 3.2Å; M539-T543 PolarHBondContact N-O 2.62Å; M539-V545 HydrophobicContact CG-CG2 3.97Å; M539-V545 HydrophobicContact SD-CG2 4.35Å |
| 540 | D | 92 | Very high | 94 | Very high | 88 Ų | 88 | 37.7 Ų | 37.7 | 47% | 0.471 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16 | 176.2 | -72.7 | -13.1 | 0 | 0 | 0 | 112.5 | A522 F542 | A522-D540 WeakPolarHBondContact CB-OD2 3.4Å; A522-D540 PolarHBondContact O-N 2.81Å; D540-F542 VanDerWaalsContact C-N 3.25Å; D540-F542 PolarHBondContact O-N 2.84Å |
| 541 | D | 92.1 | Very high | 94.1 | Very high | 71 Ų | 71 | 38.2 Ų | 38.2 | 38% | 0.38 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 14.6 | 174.2 | 67.9 | 1.6 | 0 | 0 | 0 | 113.5 | A521 M539 T543 | A521-D541 HydrophobicContact CB-CB 4.19Å; M539-D541 WeakPolarHBondContact CB-OD1 3.49Å; M539-D541 PolarHBondContact O-N 3.08Å; D541-T543 PolarHBondContact O-N 2.9Å; D541-T543 VanDerWaalsContact O-N 3.13Å; D541-T543 VanDerWaalsContact OD1-CB 3.3Å; D541-T543 WeakPolarHBondContact OD1-CB 3.25Å; D541-T543 WeakPolarHBondContact OD1-CG2 3.39Å; D541-T543 PolarHBondContact OD1-N 2.83Å; D541-T543 PolarHBondContact OD1-OG1 2.78Å; D541-T543 PolarHBondContact OD2-OG1 2.8Å |
| 542 | F | 93.3 | Very high | 94.2 | Very high | 64 Ų | 64 | 33.9 Ų | 33.9 | 28% | 0.281 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 65.4 | 6.3 | -177.9 | -41.3 | -32.4 | 0 | 0 | 0 | 114.9 | M539 D540 H561 G563 N564 | M539-F542 PolarHBondContact O-N 2.79Å; D540-F542 VanDerWaalsContact C-N 3.25Å; D540-F542 PolarHBondContact O-N 2.84Å; F542-H561 HydrophobicContact CB-CB 4.22Å; F542-G563 WeakPolarHBondContact CD1-O 3.5Å; F542-N564 HydrophobicContact CE1-CB 4.46Å; F542-N564 WeakPolarHBondContact CE1-OD1 3.17Å |
| 543 | T | 94.1 | Very high | 94.2 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | trans | -83.5 | 155.3 | 172.7 | 71.3 | 0 | 0 | 0 | 0 | 111.4 | M539 D541 F558 A559 | M539-T543 WeakPolarHBondContact CB-O 3.43Å; M539-T543 WeakPolarHBondContact CG-O 3.2Å; M539-T543 PolarHBondContact N-O 2.62Å; D541-T543 PolarHBondContact O-N 2.9Å; D541-T543 VanDerWaalsContact O-N 3.13Å; D541-T543 VanDerWaalsContact OD1-CB 3.3Å; D541-T543 WeakPolarHBondContact OD1-CB 3.25Å; D541-T543 WeakPolarHBondContact OD1-CG2 3.39Å; D541-T543 PolarHBondContact OD1-N 2.83Å; D541-T543 PolarHBondContact OD1-OG1 2.78Å; D541-T543 PolarHBondContact OD2-OG1 2.8Å; T543-F558 WeakPolarHBondContact CA-O 3.17Å; T543-A559 HydrophobicContact CG2-CB 4.44Å | ||
| 544 | L | 95.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.9 | 172.3 | -66.7 | 157.3 | 0 | 0 | 0 | 108.8 | M537 A538 K557 F558 I565 M568 L577 T579 W589 | M537-L544 WeakPolarHBondContact O-CA 3.34Å; A538-L544 HydrophobicContact CB-CD2 4.02Å; L544-K557 CarbonylContact O-C 3.58Å; L544-K557 VanDerWaalsContact O-CA 3.28Å; L544-K557 WeakPolarHBondContact O-CA 3.34Å; L544-F558 HydrophobicContact CB-CB 4.1Å; L544-F558 HydrophobicContact CB-CD2 4.12Å; L544-F558 HydrophobicContact CD1-CB 4.32Å; L544-F558 PolarHBondContact N-O 2.77Å; L544-F558 PolarHBondContact O-N 3.01Å; L544-I565 HydrophobicContact CD1-CD1 4.2Å; L544-I565 HydrophobicContact CD2-CD1 3.54Å; L544-I565 HydrophobicContact CG-CD1 3.64Å; L544-M568 HydrophobicContact CD2-CE 4.05Å; L544-L577 HydrophobicContact CD1-CD2 4.37Å; L544-T579 HydrophobicContact CD1-CG2 3.57Å; L544-T579 HydrophobicContact CD2-CG2 3.96Å; L544-T579 HydrophobicContact CG-CG2 4.42Å; L544-W589 HydrophobicContact CD1-CZ2 4.38Å |
| 545 | V | 95.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.5 | 177.7 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | M537 M539 V547 I554 K557 | M537-V545 PolarHBondContact N-O 2.8Å; M537-V545 PolarHBondContact O-N 3.37Å; M539-V545 HydrophobicContact CG-CG2 3.97Å; M539-V545 HydrophobicContact SD-CG2 4.35Å; V545-V547 HydrophobicContact CG1-CG2 4.12Å; V545-I554 HydrophobicContact CG1-CB 4.34Å; V545-I554 HydrophobicContact CG1-CD1 4.16Å; V545-I554 HydrophobicContact CG1-CG1 3.9Å; V545-I554 HydrophobicContact CG1-CG2 3.59Å; V545-K557 HydrophobicContact CG2-CG 4.48Å |
| 546 | V | 96.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.4 | 173.5 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | M534 V535 A536 V555 R556 F558 L591 | M534-V546 HydrophobicContact CB-CG1 4.31Å; M534-V546 HydrophobicContact SD-CG1 4.45Å; V535-V546 CarbonylContact O-C 3.59Å; V535-V546 VanDerWaalsContact O-CA 3.31Å; V535-V546 WeakPolarHBondContact O-CA 3.46Å; A536-V546 HydrophobicContact CB-CG2 4.48Å; V546-V555 PolarHBondContact O-N 3.48Å; V546-R556 HydrophobicContact CB-CB 4.1Å; V546-R556 HydrophobicContact CG2-CB 4.29Å; V546-R556 PolarHBondContact N-O 3.13Å; V546-R556 PolarHBondContact O-N 3.15Å; V546-F558 HydrophobicContact CG2-CD2 4.47Å; V546-F558 HydrophobicContact CG2-CE2 3.87Å; V546-L591 HydrophobicContact CG1-CD2 4.26Å |
| 547 | V | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.2 | -179 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | L503 F505 L517 V535 V545 R553 I554 | L503-V547 HydrophobicContact CD2-CB 4.43Å; L503-V547 HydrophobicContact CD2-CG1 4.21Å; L503-V547 HydrophobicContact CD2-CG2 4.16Å; F505-V547 HydrophobicContact CZ-CG1 4.18Å; L517-V547 HydrophobicContact CD1-CG1 4.03Å; V535-V547 HydrophobicContact CB-CB 4.5Å; V535-V547 PolarHBondContact N-O 2.8Å; V535-V547 PolarHBondContact O-N 2.94Å; V545-V547 HydrophobicContact CG1-CG2 4.12Å; V547-R553 WeakPolarHBondContact CA-O 3.35Å; V547-R553 WeakPolarHBondContact CG1-O 3.49Å; V547-I554 HydrophobicContact CG2-CG1 3.96Å |
| 548 | D | 94.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.3 | 171.1 | 167.7 | 28.7 | 0 | 0 | 0 | 110.2 | E550 T551 K552 R553 V555 | D548-E550 VanDerWaalsContact C-N 3.35Å; D548-E550 PolarHBondContact OD1-N 2.78Å; D548-T551 WeakPolarHBondContact CB-OG1 3.45Å; D548-T551 VanDerWaalsContact OD2-CB 3.27Å; D548-T551 WeakPolarHBondContact OD2-CB 3.43Å; D548-T551 WeakPolarHBondContact OD2-CG2 3.47Å; D548-T551 PolarHBondContact OD2-N 2.75Å; D548-T551 PolarHBondContact OD2-OG1 3.47Å; D548-K552 WeakPolarHBondContact O-CA 3.3Å; D548-K552 PolarHBondContact O-N 2.95Å; D548-R553 PolarHBondContact N-O 2.89Å; D548-V555 HydrophobicContact CB-CG2 3.59Å |
| 549 | M | 91.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 5% | 0.054 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -33.6 | 179.4 | -75.8 | -66.2 | -65.8 | 0 | 0 | 113.3 | L493 V495 F505 L528 G533 V535 K552 | L493-M549 HydrophobicContact CB-CE 3.94Å; L493-M549 HydrophobicContact CD1-CE 4.28Å; V495-M549 HydrophobicContact CG2-CE 3.42Å; V495-M549 VanDerWaalsContact CG2-CE 3.42Å; V495-M549 HydrophobicContact CG2-SD 3.33Å; V495-M549 WeakPolarHBondContact CG2-SD 3.49Å; F505-M549 HydrophobicContact CD1-CE 4.27Å; F505-M549 HydrophobicContact CD1-SD 4.3Å; F505-M549 HydrophobicContact CE1-CE 4.2Å; F505-M549 HydrophobicContact CE1-SD 3.66Å; L528-M549 HydrophobicContact CD1-CG 3.81Å; L528-M549 HydrophobicContact CD1-SD 4.42Å; G533-M549 WeakPolarHBondContact O-CB 3.04Å; G533-M549 WeakPolarHBondContact O-CG 3.43Å; G533-M549 PolarHBondContact O-N 2.98Å; V535-M549 HydrophobicContact CG2-CG 3.77Å; V535-M549 HydrophobicContact CG2-SD 3.51Å; V535-M549 VanDerWaalsContact CG2-SD 3.51Å; M549-K552 WeakPolarHBondContact O-CG 3.37Å |
| 550 | E | 91 | Very high | 93.5 | Very high | 173 Ų | 173 | 61 Ų | 61 | 81% | 0.808 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -53.1 | -173.7 | -173 | 163.9 | -168.1 | 0 | 0 | 110.9 | D548 K552 | D548-E550 VanDerWaalsContact C-N 3.35Å; D548-E550 PolarHBondContact OD1-N 2.78Å; E550-K552 VanDerWaalsContact C-N 3.28Å; E550-K552 PolarHBondContact O-N 3.43Å |
| 551 | T | 92.7 | Very high | 93.4 | Very high | 78 Ų | 78 | 57.3 Ų | 57.3 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -16.8 | 176.2 | 62.6 | 0 | 0 | 0 | 0 | 113.3 | D548 R553 | D548-T551 WeakPolarHBondContact CB-OG1 3.45Å; D548-T551 VanDerWaalsContact OD2-CB 3.27Å; D548-T551 WeakPolarHBondContact OD2-CB 3.43Å; D548-T551 WeakPolarHBondContact OD2-CG2 3.47Å; D548-T551 PolarHBondContact OD2-N 2.75Å; D548-T551 PolarHBondContact OD2-OG1 3.47Å; T551-R553 VanDerWaalsContact C-N 3.25Å; T551-R553 PolarHBondContact O-N 3.15Å |
| 552 | K | 93.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 61 Ų | 61 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 39.5 | -178.9 | -54.6 | 169.7 | -177.2 | 176.9 | 0 | 111.7 | F505 E514 V515 L517 D548 M549 E550 | F505-K552 HydrophobicContact CD1-CG 4.43Å; F505-K552 HydrophobicContact CE1-CG 4.26Å; F505-K552 HydrophobicContact CE2-CB 4.42Å; F505-K552 HydrophobicContact CZ-CB 4.32Å; F505-K552 HydrophobicContact CZ-CG 4.38Å; E514-K552 IonicContact OE2-NZ 2.65Å; E514-K552 PolarHBondContact OE2-NZ 2.75Å; V515-K552 HydrophobicContact CB-CD 4.18Å; V515-K552 HydrophobicContact CG2-CD 3.71Å; L517-K552 VanDerWaalsContact CD1-O 3.32Å; L517-K552 WeakPolarHBondContact CD1-O 3.39Å; D548-K552 WeakPolarHBondContact O-CA 3.3Å; D548-K552 PolarHBondContact O-N 2.95Å; M549-K552 WeakPolarHBondContact O-CG 3.37Å; E550-K552 VanDerWaalsContact C-N 3.28Å; E550-K552 PolarHBondContact O-N 3.43Å |
| 553 | R | 93.2 | Very high | 93.2 | Very high | 183 Ų | 183 | 58.6 Ų | 58.6 | 69% | 0.691 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 152.7 | -177.9 | -71.6 | 177.5 | -175 | -168.7 | 1.7 | 111.1 | V547 D548 T551 V555 | V547-R553 WeakPolarHBondContact CA-O 3.35Å; V547-R553 WeakPolarHBondContact CG1-O 3.49Å; D548-R553 PolarHBondContact N-O 2.89Å; T551-R553 VanDerWaalsContact C-N 3.25Å; T551-R553 PolarHBondContact O-N 3.15Å; R553-V555 PolarHBondContact O-N 3.26Å |
| 554 | I | 94.8 | Very high | 93.2 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 35% | 0.349 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 120.1 | 171.8 | -62 | 166.5 | 0 | 0 | 0 | 107.9 | V545 V547 K557 | V545-I554 HydrophobicContact CG1-CB 4.34Å; V545-I554 HydrophobicContact CG1-CD1 4.16Å; V545-I554 HydrophobicContact CG1-CG1 3.9Å; V545-I554 HydrophobicContact CG1-CG2 3.59Å; V547-I554 HydrophobicContact CG2-CG1 3.96Å; I554-K557 HydrophobicContact CG2-CG 4.06Å |
| 555 | V | 94.9 | Very high | 93.2 | Very high | 84 Ų | 84 | 62.2 Ų | 62.2 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -41.2 | -177.8 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | V546 D548 R553 | V546-V555 PolarHBondContact O-N 3.48Å; D548-V555 HydrophobicContact CB-CG2 3.59Å; R553-V555 PolarHBondContact O-N 3.26Å |
| 556 | R | 94.6 | Very high | 93.1 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.7 | -179.4 | -60.7 | -66.7 | -179.3 | 164.2 | 1.7 | 111.9 | V546 F558 L591 P592 | V546-R556 HydrophobicContact CB-CB 4.1Å; V546-R556 HydrophobicContact CG2-CB 4.29Å; V546-R556 PolarHBondContact N-O 3.13Å; V546-R556 PolarHBondContact O-N 3.15Å; R556-F558 HydrophobicContact CB-CE2 4Å; R556-F558 HydrophobicContact CB-CZ 4.03Å; R556-F558 HydrophobicContact CG-CZ 4.38Å; R556-L591 PolarHBondContact NE-O 2.97Å; R556-L591 PolarHBondContact NH2-O 3.37Å; R556-P592 PolarHBondContact NH2-O 3Å |
| 557 | K | 94.6 | Very high | 93 | Very high | 138 Ų | 138 | 63.8 Ų | 63.8 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 130.4 | 168.6 | -65.2 | -174.7 | 179.1 | -177.2 | 0 | 108.2 | L544 V545 I554 | L544-K557 CarbonylContact O-C 3.58Å; L544-K557 VanDerWaalsContact O-CA 3.28Å; L544-K557 WeakPolarHBondContact O-CA 3.34Å; V545-K557 HydrophobicContact CG2-CG 4.48Å; I554-K557 HydrophobicContact CG2-CG 4.06Å |
| 558 | F | 94.5 | Very high | 93 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.1 | 174.5 | -50.7 | -81 | 0 | 0 | 0 | 110.2 | T543 L544 V546 R556 W589 | T543-F558 WeakPolarHBondContact CA-O 3.17Å; L544-F558 HydrophobicContact CB-CB 4.1Å; L544-F558 HydrophobicContact CB-CD2 4.12Å; L544-F558 HydrophobicContact CD1-CB 4.32Å; L544-F558 PolarHBondContact N-O 2.77Å; L544-F558 PolarHBondContact O-N 3.01Å; V546-F558 HydrophobicContact CG2-CD2 4.47Å; V546-F558 HydrophobicContact CG2-CE2 3.87Å; R556-F558 HydrophobicContact CB-CE2 4Å; R556-F558 HydrophobicContact CB-CZ 4.03Å; R556-F558 HydrophobicContact CG-CZ 4.38Å; F558-W589 HydrophobicContact CB-CD2 4Å; F558-W589 HydrophobicContact CB-CE3 3.82Å; F558-W589 HydrophobicContact CB-CH2 4.23Å; F558-W589 HydrophobicContact CB-CZ2 4.4Å; F558-W589 HydrophobicContact CB-CZ3 3.92Å; F558-W589 HydrophobicContact CD1-CB 4.27Å; F558-W589 HydrophobicContact CD1-CD2 4.03Å; F558-W589 AromaticContact CD1-CE3 3.52Å; F558-W589 HydrophobicContact CD1-CE3 3.52Å; F558-W589 HydrophobicContact CD1-CG 4.36Å; F558-W589 HydrophobicContact CD1-CZ3 4.17Å; F558-W589 HydrophobicContact CE1-CB 4.03Å; F558-W589 HydrophobicContact CE1-CE3 4.25Å; F558-W589 HydrophobicContact CE2-CB 4.33Å; F558-W589 HydrophobicContact CG-CB 4.49Å; F558-W589 HydrophobicContact CG-CD2 4.01Å; F558-W589 AromaticContact CG-CE3 3.86Å; F558-W589 HydrophobicContact CG-CE3 3.86Å; F558-W589 HydrophobicContact CG-CG 4.29Å; F558-W589 HydrophobicContact CG-CZ3 4.42Å; F558-W589 HydrophobicContact CZ-CB 4.08Å |
| 559 | A | 91.5 | Very high | 93.1 | Very high | 74 Ų | 74 | 63.4 Ų | 63.4 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | trans | -138.5 | 146.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | T543 W589 | T543-A559 HydrophobicContact CG2-CB 4.44Å; A559-W589 WeakPolarHBondContact O-CH2 3.31Å | ||
| 560 | G | 86.1 | Confident | 93.3 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | trans | 153.4 | -15.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | H562 R587 | G560-H562 PolarHBondContact O-CE1 3.27Å; G560-H562 PolarHBondContact O-ND1 3.47Å; G560-R587 PolarHBondContact O-NH1 2.74Å; G560-R587 PolarHBondContact O-NH2 3.26Å | ||
| 561 | H | 90.4 | Very high | 93.5 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | trans | -69.9 | 142.7 | 172.3 | -79 | -63.7 | 0 | 0 | 0 | 111.4 | F542 I565 T579 A581 D583 R587 | F542-H561 HydrophobicContact CB-CB 4.22Å; H561-I565 HydrophobicContact CB-CG1 4.38Å; H561-T579 PolarHBondContact NE2-OG1 2.8Å; H561-A581 WeakPolarHBondContact ND1-CB 3.34Å; H561-D583 IonicContact ND1-OD2 3.21Å; H561-R587 WeakPolarHBondContact CE1-CD 3.47Å | ||
| 562 | H | 90.1 | Very high | 93.5 | Very high | 149 Ų | 149 | 53.6 Ų | 53.6 | 69% | 0.69 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -105.4 | -2.8 | 179.9 | -62.9 | 89.5 | 0 | 0 | 0 | 113.1 | G560 D583 | G560-H562 PolarHBondContact O-CE1 3.27Å; G560-H562 PolarHBondContact O-ND1 3.47Å; H562-D583 HydrophobicContact CB-CB 4.38Å; H562-D583 PolarHBondContact N-OD2 2.8Å |
| 563 | G | 90.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 56.1 Ų | 56.1 | 12% | 0.124 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -142.1 | 176 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F542 I565 | F542-G563 WeakPolarHBondContact CD1-O 3.5Å; G563-I565 PolarHBondContact O-N 3.25Å |
| 564 | N | 93.1 | Very high | 93.2 | Very high | 102 Ų | 102 | 47.6 Ų | 47.6 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | trans | -59.4 | 128.9 | 180 | -64.5 | 24 | 0 | 0 | 0 | 110.6 | F542 T566 A581 M582 | F542-N564 HydrophobicContact CE1-CB 4.46Å; F542-N564 WeakPolarHBondContact CE1-OD1 3.17Å; N564-T566 PolarHBondContact O-N 2.79Å; N564-A581 WeakPolarHBondContact O-CA 3.18Å; N564-M582 HydrophobicContact CB-CG 4.31Å; N564-M582 PolarHBondContact O-N 3.05Å | ||
| 565 | I | 95.5 | Very high | 93.1 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 121.3 | 174.6 | -54.4 | 179.6 | 0 | 0 | 0 | 108.3 | A538 L544 H561 G563 M568 T580 | A538-I565 HydrophobicContact CB-CB 3.85Å; A538-I565 HydrophobicContact CB-CD1 3.95Å; A538-I565 HydrophobicContact CB-CG1 4.43Å; A538-I565 HydrophobicContact CB-CG2 3.91Å; L544-I565 HydrophobicContact CD1-CD1 4.2Å; L544-I565 HydrophobicContact CD2-CD1 3.54Å; L544-I565 HydrophobicContact CG-CD1 3.64Å; H561-I565 HydrophobicContact CB-CG1 4.38Å; G563-I565 PolarHBondContact O-N 3.25Å; I565-M568 HydrophobicContact CG2-CE 4.44Å; I565-T580 CarbonylContact C-O 3.54Å; I565-T580 WeakPolarHBondContact CA-O 3.38Å; I565-T580 WeakPolarHBondContact CG2-O 3.48Å |
| 566 | T | 94.1 | Very high | 93.1 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -39.7 | -174.6 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | I525 N564 T580 M582 P606 | I525-T566 WeakPolarHBondContact CD1-O 3.48Å; N564-T566 PolarHBondContact O-N 2.79Å; T566-T580 PolarHBondContact N-O 2.77Å; T566-T580 PolarHBondContact OG1-O 3.12Å; T566-T580 VanDerWaalsContact OG1-O 3.09Å; T566-T580 PolarHBondContact OG1-OG1 3.14Å; T566-M582 HydrophobicContact CG2-CG 3.6Å; T566-M582 HydrophobicContact CG2-SD 3.45Å; T566-M582 WeakPolarHBondContact CG2-SD 3.42Å; T566-P606 VanDerWaalsContact CB-O 3.3Å; T566-P606 WeakPolarHBondContact CB-O 3.17Å; T566-P606 WeakPolarHBondContact CG2-O 3.49Å; T566-P606 PolarHBondContact OG1-O 2.95Å |
| 567 | D | 95 | Very high | 93.2 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 168.1 | 177.7 | -160.2 | 10.4 | 0 | 0 | 0 | 110.8 | R527 T580 V609 | R527-D567 IonicContact CZ-OD1 3.4Å; R527-D567 IonicContact NE-OD1 3.48Å; R527-D567 IonicContact NH2-OD1 2.78Å; R527-D567 PolarHBondContact NH2-OD1 2.91Å; R527-D567 IonicContact NH2-OD2 2.8Å; D567-T580 PolarHBondContact N-OG1 2.99Å; D567-T580 PolarHBondContact O-N 2.88Å; D567-T580 VanDerWaalsContact O-N 3.08Å; D567-T580 PolarHBondContact O-OG1 2.93Å; D567-V609 HydrophobicContact CB-CG1 3.9Å; D567-V609 PolarHBondContact OD2-N 3.14Å |
| 568 | M | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 155 | 177.4 | 71.3 | -167.5 | 61.1 | 0 | 0 | 111.4 | I525 R527 A536 A538 L544 I565 L577 V578 T579 | I525-M568 HydrophobicContact CB-CE 4.03Å; I525-M568 HydrophobicContact CG2-CE 4.14Å; R527-M568 HydrophobicContact CB-CG 4.01Å; R527-M568 HydrophobicContact CB-SD 4.25Å; R527-M568 HydrophobicContact CG-CG 3.42Å; R527-M568 VanDerWaalsContact CG-CG 3.42Å; R527-M568 WeakPolarHBondContact CG-O 3.41Å; R527-M568 HydrophobicContact CG-SD 4.09Å; A536-M568 HydrophobicContact CB-SD 3.82Å; A538-M568 HydrophobicContact CB-CE 3.16Å; A538-M568 VanDerWaalsContact N-CE 3.29Å; L544-M568 HydrophobicContact CD2-CE 4.05Å; I565-M568 HydrophobicContact CG2-CE 4.44Å; M568-L577 HydrophobicContact CB-CD1 4.29Å; M568-V578 CarbonylContact C-O 3.59Å; M568-V578 WeakPolarHBondContact CA-O 3.39Å; M568-T579 HydrophobicContact CB-CG2 3.94Å |
| 569 | T | 96.1 | Very high | 93.3 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 144.3 | 177.4 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | V578 V609 M611 L618 | T569-V578 HydrophobicContact CG2-CB 3.96Å; T569-V578 PolarHBondContact N-O 3.09Å; T569-V578 PolarHBondContact O-N 2.64Å; T569-V609 HydrophobicContact CG2-CG1 4Å; T569-V609 HydrophobicContact CG2-CG2 3.99Å; T569-M611 HydrophobicContact CG2-CB 4.02Å; T569-M611 HydrophobicContact CG2-CG 3.6Å; T569-M611 PolarHBondContact OG1-N 2.8Å; T569-L618 HydrophobicContact CG2-CD1 4.29Å |
| 570 | F | 96.5 | Very high | 93.5 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 7% | 0.066 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 150.6 | 172.4 | -76.2 | -88.3 | 0 | 0 | 0 | 109.9 | R527 H529 M534 A536 W576 L577 L591 M611 | R527-F570 HydrophobicContact CB-CE2 4.39Å; H529-F570 HydrophobicContact CB-CB 4.08Å; H529-F570 HydrophobicContact CB-CD1 4.06Å; H529-F570 HydrophobicContact CB-CD2 3.69Å; H529-F570 HydrophobicContact CB-CE1 4.34Å; H529-F570 HydrophobicContact CB-CE2 4Å; H529-F570 HydrophobicContact CB-CG 3.69Å; H529-F570 HydrophobicContact CB-CZ 4.3Å; M534-F570 HydrophobicContact CB-CE1 4.31Å; M534-F570 HydrophobicContact CB-CZ 4.22Å; A536-F570 HydrophobicContact CB-CE1 4.36Å; A536-F570 HydrophobicContact CB-CE2 3.52Å; A536-F570 HydrophobicContact CB-CZ 3.37Å; F570-W576 WeakPolarHBondContact CA-O 3.44Å; F570-L577 HydrophobicContact CD1-CD1 4.25Å; F570-L577 HydrophobicContact CD2-CD1 4.31Å; F570-L577 HydrophobicContact CE1-CD1 4.24Å; F570-L577 HydrophobicContact CE2-CD1 4.31Å; F570-L577 HydrophobicContact CG-CD1 4.31Å; F570-L577 HydrophobicContact CZ-CD1 4.29Å; F570-L591 HydrophobicContact CE1-CD2 3.94Å; F570-M611 WeakPolarHBondContact O-CB 3.36Å |
| 571 | S | 94.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | trans | -66 | 154.4 | 160.5 | 60.1 | 0 | 0 | 0 | 0 | 110.2 | H529 D573 G574 R575 W576 | H529-S571 PolarHBondContact NE2-O 3.09Å; S571-D573 VanDerWaalsContact C-N 3.25Å; S571-D573 WeakPolarHBondContact CB-OD1 3.32Å; S571-D573 PolarHBondContact O-N 3.26Å; S571-D573 PolarHBondContact OG-OD1 3.43Å; S571-G574 WeakPolarHBondContact O-CA 3.39Å; S571-G574 PolarHBondContact O-N 2.94Å; S571-R575 PolarHBondContact OG-N 2.6Å; S571-R575 VanDerWaalsContact OG-N 3.17Å; S571-W576 PolarHBondContact N-O 3.13Å; S571-W576 PolarHBondContact OG-N 3.21Å; S571-W576 PolarHBondContact OG-O 2.8Å | ||
| 572 | P | 92.7 | Very high | 94.1 | Very high | 40 Ų | 40 | 34.2 Ų | 34.2 | 26% | 0.26 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -26.7 | -177 | -25 | 36.8 | 0 | 0 | 0 | 114.9 | H529 S612 P613 | H529-P572 PolarHBondContact CE1-O 3.42Å; H529-P572 PolarHBondContact NE2-O 2.9Å; P572-S612 WeakPolarHBondContact CG-O 3.23Å; P572-P613 WeakPolarHBondContact CB-O 3.4Å; P572-P613 WeakPolarHBondContact CG-O 3.42Å |
| 573 | D | 90.6 | Very high | 94.1 | Very high | 102 Ų | 102 | 28.9 Ų | 28.9 | 55% | 0.545 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -7.7 | 172.7 | 64 | -10.5 | 0 | 0 | 0 | 112.4 | S571 R575 | S571-D573 VanDerWaalsContact C-N 3.25Å; S571-D573 WeakPolarHBondContact CB-OD1 3.32Å; S571-D573 PolarHBondContact O-N 3.26Å; S571-D573 PolarHBondContact OG-OD1 3.43Å; D573-R575 PolarHBondContact O-N 2.82Å; D573-R575 WeakPolarHBondContact OD1-CB 3.34Å; D573-R575 PolarHBondContact OD1-N 3.41Å; D573-R575 VanDerWaalsContact OD1-N 3.07Å; D573-R575 VanDerWaalsContact OD2-CB 3.28Å; D573-R575 WeakPolarHBondContact OD2-CB 3.36Å |
| 574 | G | 91.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 71.2 | 6.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M534 S571 | M534-G574 WeakPolarHBondContact CE-O 3.41Å; S571-G574 WeakPolarHBondContact O-CA 3.39Å; S571-G574 PolarHBondContact O-N 2.94Å |
| 575 | R | 92.1 | Very high | 94.1 | Very high | 109 Ų | 109 | 25.2 Ų | 25.2 | 41% | 0.411 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -74.7 | -36.9 | -177.9 | -174.8 | 179.1 | 174.6 | 170.3 | 0.7 | 112.9 | S571 D573 D590 L591 P592 | S571-R575 PolarHBondContact OG-N 2.6Å; S571-R575 VanDerWaalsContact OG-N 3.17Å; D573-R575 PolarHBondContact O-N 2.82Å; D573-R575 WeakPolarHBondContact OD1-CB 3.34Å; D573-R575 PolarHBondContact OD1-N 3.41Å; D573-R575 VanDerWaalsContact OD1-N 3.07Å; D573-R575 VanDerWaalsContact OD2-CB 3.28Å; D573-R575 WeakPolarHBondContact OD2-CB 3.36Å; R575-D590 WeakPolarHBondContact CG-OD1 3.42Å; R575-D590 IonicContact CZ-OD1 2.98Å; R575-D590 IonicContact NE-OD1 3.91Å; R575-D590 PolarHBondContact NE-OD1 3.47Å; R575-D590 IonicContact NH2-OD1 3.55Å; R575-L591 WeakPolarHBondContact O-CB 3.31Å; R575-L591 WeakPolarHBondContact O-CD1 3.3Å; R575-L591 PolarHBondContact O-N 2.84Å; R575-P592 HydrophobicContact CG-CG 4.11Å |
| 576 | W | 94.2 | Very high | 94.1 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 5% | 0.053 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148.7 | -176.6 | -52.1 | -34.5 | 0 | 0 | 0 | 112.3 | L8 F570 S571 T588 W589 S635 L642 | L8-W576 HydrophobicContact CD1-CD2 4.38Å; L8-W576 HydrophobicContact CD1-CE3 4.25Å; L8-W576 HydrophobicContact CD1-CH2 3.88Å; L8-W576 HydrophobicContact CD1-CZ2 4.01Å; L8-W576 HydrophobicContact CD1-CZ3 4.01Å; L8-W576 HydrophobicContact CD2-CE3 4.15Å; L8-W576 HydrophobicContact CD2-CH2 3.84Å; L8-W576 HydrophobicContact CD2-CZ3 3.49Å; L8-W576 VanDerWaalsContact CD2-CZ3 3.49Å; L8-W576 HydrophobicContact CG-CH2 4.21Å; L8-W576 HydrophobicContact CG-CZ3 4.28Å; F570-W576 WeakPolarHBondContact CA-O 3.44Å; S571-W576 PolarHBondContact N-O 3.13Å; S571-W576 PolarHBondContact OG-N 3.21Å; S571-W576 PolarHBondContact OG-O 2.8Å; W576-T588 HydrophobicContact CB-CG2 3.92Å; W576-T588 HydrophobicContact CD2-CG2 4.42Å; W576-T588 HydrophobicContact CG-CG2 4.08Å; W576-W589 CarbonylContact C-O 3.56Å; W576-W589 VanDerWaalsContact CA-O 3.24Å; W576-W589 WeakPolarHBondContact CA-O 3.45Å; W576-S635 WeakPolarHBondContact CH2-OG 3.4Å; W576-L642 HydrophobicContact CH2-CD1 4.34Å; W576-L642 HydrophobicContact CZ2-CD1 3.42Å; W576-L642 VanDerWaalsContact CZ2-CD1 3.42Å |
| 577 | L | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 115.1 | 165.4 | 178.3 | 70.3 | 0 | 0 | 0 | 107.9 | A536 L544 M568 F570 T579 W589 L591 | A536-L577 HydrophobicContact CB-CD1 3.79Å; A536-L577 HydrophobicContact CB-CD2 4.03Å; L544-L577 HydrophobicContact CD1-CD2 4.37Å; M568-L577 HydrophobicContact CB-CD1 4.29Å; F570-L577 HydrophobicContact CD1-CD1 4.25Å; F570-L577 HydrophobicContact CD2-CD1 4.31Å; F570-L577 HydrophobicContact CE1-CD1 4.24Å; F570-L577 HydrophobicContact CE2-CD1 4.31Å; F570-L577 HydrophobicContact CG-CD1 4.31Å; F570-L577 HydrophobicContact CZ-CD1 4.29Å; L577-T579 HydrophobicContact CD2-CG2 4.1Å; L577-T579 HydrophobicContact CG-CG2 3.86Å; L577-W589 HydrophobicContact CB-CB 4.42Å; L577-W589 PolarHBondContact N-O 3.47Å; L577-W589 VanDerWaalsContact O-CD1 3.29Å; L577-W589 PolarHBondContact O-N 3.12Å; L577-L591 HydrophobicContact CB-CD1 3.73Å |
| 578 | V | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.4 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | F9 M568 T569 I586 R587 T588 V609 M611 L618 | F9-V578 HydrophobicContact CE2-CG2 4.14Å; F9-V578 HydrophobicContact CZ-CG2 4.07Å; M568-V578 CarbonylContact C-O 3.59Å; M568-V578 WeakPolarHBondContact CA-O 3.39Å; T569-V578 HydrophobicContact CG2-CB 3.96Å; T569-V578 PolarHBondContact N-O 3.09Å; T569-V578 PolarHBondContact O-N 2.64Å; V578-I586 HydrophobicContact CG1-CG2 3.87Å; V578-R587 CarbonylContact C-O 3.54Å; V578-R587 WeakPolarHBondContact CA-O 3.29Å; V578-T588 HydrophobicContact CG2-CG2 4.12Å; V578-V609 HydrophobicContact CG1-CG2 4.25Å; V578-M611 HydrophobicContact CG2-CG 4.46Å; V578-L618 HydrophobicContact CB-CD1 4.5Å; V578-L618 HydrophobicContact CG1-CD1 4.04Å; V578-L618 HydrophobicContact CG1-CD2 4.27Å |
| 579 | T | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143 | -176.3 | 56.1 | 0 | 0 | 0 | 0 | 110.9 | L544 H561 M568 L577 R587 W589 | L544-T579 HydrophobicContact CD1-CG2 3.57Å; L544-T579 HydrophobicContact CD2-CG2 3.96Å; L544-T579 HydrophobicContact CG-CG2 4.42Å; H561-T579 PolarHBondContact NE2-OG1 2.8Å; M568-T579 HydrophobicContact CB-CG2 3.94Å; L577-T579 HydrophobicContact CD2-CG2 4.1Å; L577-T579 HydrophobicContact CG-CG2 3.86Å; T579-R587 PolarHBondContact N-O 3.14Å; T579-R587 PolarHBondContact O-N 3.48Å; T579-R587 PolarHBondContact OG1-O 2.97Å; T579-W589 PolarHBondContact OG1-NE1 2.78Å |
| 580 | T | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.1 | 179.9 | 55.8 | 0 | 0 | 0 | 0 | 109.7 | I565 T566 D567 I586 P606 V609 | I565-T580 CarbonylContact C-O 3.54Å; I565-T580 WeakPolarHBondContact CA-O 3.38Å; I565-T580 WeakPolarHBondContact CG2-O 3.48Å; T566-T580 PolarHBondContact N-O 2.77Å; T566-T580 PolarHBondContact OG1-O 3.12Å; T566-T580 VanDerWaalsContact OG1-O 3.09Å; T566-T580 PolarHBondContact OG1-OG1 3.14Å; D567-T580 PolarHBondContact N-OG1 2.99Å; D567-T580 PolarHBondContact O-N 2.88Å; D567-T580 VanDerWaalsContact O-N 3.08Å; D567-T580 PolarHBondContact O-OG1 2.93Å; T580-I586 HydrophobicContact CG2-CD1 4.34Å; T580-I586 HydrophobicContact CG2-CG1 4.07Å; T580-I586 HydrophobicContact CG2-CG2 4.22Å; T580-P606 HydrophobicContact CG2-CB 3.95Å; T580-P606 HydrophobicContact CG2-CG 3.96Å; T580-V609 HydrophobicContact CG2-CB 3.65Å; T580-V609 HydrophobicContact CG2-CG1 4.03Å; T580-V609 HydrophobicContact CG2-CG2 3.86Å |
| 581 | A | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 165 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H561 N564 D583 C584 T585 | H561-A581 WeakPolarHBondContact ND1-CB 3.34Å; N564-A581 WeakPolarHBondContact O-CA 3.18Å; A581-D583 VanDerWaalsContact CB-OD1 3.32Å; A581-D583 WeakPolarHBondContact CB-OD1 3.28Å; A581-D583 PolarHBondContact O-N 3Å; A581-C584 PolarHBondContact O-N 2.99Å; A581-T585 PolarHBondContact N-O 3.03Å |
| 582 | M | 93.8 | Very high | 93.5 | Very high | 102 Ų | 102 | 27.5 Ų | 27.5 | 50% | 0.502 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.6 | 177.3 | -70.4 | -60.1 | -61.3 | 0 | 0 | 113.7 | N564 T566 C584 A605 | N564-M582 HydrophobicContact CB-CG 4.31Å; N564-M582 PolarHBondContact O-N 3.05Å; T566-M582 HydrophobicContact CG2-CG 3.6Å; T566-M582 HydrophobicContact CG2-SD 3.45Å; T566-M582 WeakPolarHBondContact CG2-SD 3.42Å; M582-C584 PolarHBondContact O-N 2.9Å; M582-A605 HydrophobicContact CE-CB 4.29Å; M582-A605 HydrophobicContact SD-CB 4.32Å |
| 583 | D | 90.8 | Very high | 93.2 | Very high | 36 Ų | 36 | 28.5 Ų | 28.5 | 19% | 0.193 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 11.8 | 171.4 | 65.5 | 3.7 | 0 | 0 | 0 | 112.9 | H561 H562 A581 T585 | H561-D583 IonicContact ND1-OD2 3.21Å; H562-D583 HydrophobicContact CB-CB 4.38Å; H562-D583 PolarHBondContact N-OD2 2.8Å; A581-D583 VanDerWaalsContact CB-OD1 3.32Å; A581-D583 WeakPolarHBondContact CB-OD1 3.28Å; A581-D583 PolarHBondContact O-N 3Å; D583-T585 VanDerWaalsContact CG-OG1 3.27Å; D583-T585 PolarHBondContact O-N 2.86Å; D583-T585 WeakPolarHBondContact OD1-CB 3.39Å; D583-T585 PolarHBondContact OD1-N 3.03Å; D583-T585 PolarHBondContact OD1-OG1 3.1Å; D583-T585 PolarHBondContact OD2-OG1 2.84Å |
| 584 | C | 92 | Very high | 93.2 | Very high | 32 Ų | 32 | 24.9 Ų | 24.9 | 22% | 0.216 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 61.7 | 18.3 | -176.3 | -62.3 | 0 | 0 | 0 | 0 | 114.2 | A581 M582 L601 V602 A605 | A581-C584 PolarHBondContact O-N 2.99Å; M582-C584 PolarHBondContact O-N 2.9Å; C584-L601 HydrophobicContact CB-CG 4.39Å; C584-L601 WeakPolarHBondContact O-CA 3.46Å; C584-V602 HydrophobicContact CB-CG2 4.49Å; C584-V602 WeakPolarHBondContact CB-O 3.48Å; C584-V602 VanDerWaalsContact O-CG2 3.23Å; C584-V602 WeakPolarHBondContact O-CG2 3.39Å; C584-V602 PolarHBondContact O-N 3.31Å; C584-A605 PolarHBondContact SG-N 2.87Å |
| 585 | T | 92.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 143.4 | 176.5 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | A581 D583 R587 P651 | A581-T585 PolarHBondContact N-O 3.03Å; D583-T585 VanDerWaalsContact CG-OG1 3.27Å; D583-T585 PolarHBondContact O-N 2.86Å; D583-T585 WeakPolarHBondContact OD1-CB 3.39Å; D583-T585 PolarHBondContact OD1-N 3.03Å; D583-T585 PolarHBondContact OD1-OG1 3.1Å; D583-T585 PolarHBondContact OD2-OG1 2.84Å; T585-R587 PolarHBondContact OG1-NE 3.03Å; T585-P651 HydrophobicContact CG2-CG 4.09Å |
| 586 | I | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122 | 165.5 | -53.4 | -170.2 | 0 | 0 | 0 | 106.8 | V578 T580 C599 F600 V602 P606 T620 | V578-I586 HydrophobicContact CG1-CG2 3.87Å; T580-I586 HydrophobicContact CG2-CD1 4.34Å; T580-I586 HydrophobicContact CG2-CG1 4.07Å; T580-I586 HydrophobicContact CG2-CG2 4.22Å; I586-C599 WeakPolarHBondContact O-CA 3.13Å; I586-F600 HydrophobicContact CB-CD1 4.37Å; I586-F600 HydrophobicContact CB-CE1 3.88Å; I586-F600 HydrophobicContact CB-CE2 4.09Å; I586-F600 HydrophobicContact CB-CZ 3.74Å; I586-F600 HydrophobicContact CD1-CE2 3.8Å; I586-F600 HydrophobicContact CD1-CZ 3.78Å; I586-F600 HydrophobicContact CG1-CE2 4.17Å; I586-F600 HydrophobicContact CG1-CZ 4.18Å; I586-F600 HydrophobicContact CG2-CE1 3.95Å; I586-F600 HydrophobicContact CG2-CZ 3.92Å; I586-F600 PolarHBondContact N-O 3.26Å; I586-F600 PolarHBondContact O-N 3.27Å; I586-V602 HydrophobicContact CD1-CG1 4.15Å; I586-P606 HydrophobicContact CG1-CG 4.24Å; I586-T620 HydrophobicContact CD1-CG2 3.79Å |
| 587 | R | 93.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 21.4 Ų | 21.4 | 9% | 0.087 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.2 | -175.3 | -67 | -171.1 | -171.3 | -125.1 | -2 | 111.2 | G560 H561 V578 T579 T585 W589 L596 C599 | G560-R587 PolarHBondContact O-NH1 2.74Å; G560-R587 PolarHBondContact O-NH2 3.26Å; H561-R587 WeakPolarHBondContact CE1-CD 3.47Å; V578-R587 CarbonylContact C-O 3.54Å; V578-R587 WeakPolarHBondContact CA-O 3.29Å; T579-R587 PolarHBondContact N-O 3.14Å; T579-R587 PolarHBondContact O-N 3.48Å; T579-R587 PolarHBondContact OG1-O 2.97Å; T585-R587 PolarHBondContact OG1-NE 3.03Å; R587-W589 HydrophobicContact CB-CZ2 4.29Å; R587-L596 HydrophobicContact CB-CD1 3.75Å; R587-L596 HydrophobicContact CG-CD1 4.09Å; R587-C599 HydrophobicContact CG-CB 4.32Å |
| 588 | T | 94.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.6 | 175.9 | -52.4 | 0 | 0 | 0 | 0 | 109.8 | L8 W576 V578 V597 D598 | L8-T588 HydrophobicContact CD1-CG2 4.29Å; W576-T588 HydrophobicContact CB-CG2 3.92Å; W576-T588 HydrophobicContact CD2-CG2 4.42Å; W576-T588 HydrophobicContact CG-CG2 4.08Å; V578-T588 HydrophobicContact CG2-CG2 4.12Å; T588-V597 PolarHBondContact O-N 2.84Å; T588-D598 PolarHBondContact N-O 2.81Å; T588-D598 PolarHBondContact O-N 2.78Å |
| 589 | W | 94.6 | Very high | 92.3 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 4% | 0.038 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 131.2 | 179.6 | -51.6 | 91.9 | 0 | 0 | 0 | 109.8 | L544 F558 A559 W576 L577 T579 R587 S595 L596 | L544-W589 HydrophobicContact CD1-CZ2 4.38Å; F558-W589 HydrophobicContact CB-CD2 4Å; F558-W589 HydrophobicContact CB-CE3 3.82Å; F558-W589 HydrophobicContact CB-CH2 4.23Å; F558-W589 HydrophobicContact CB-CZ2 4.4Å; F558-W589 HydrophobicContact CB-CZ3 3.92Å; F558-W589 HydrophobicContact CD1-CB 4.27Å; F558-W589 HydrophobicContact CD1-CD2 4.03Å; F558-W589 AromaticContact CD1-CE3 3.52Å; F558-W589 HydrophobicContact CD1-CE3 3.52Å; F558-W589 HydrophobicContact CD1-CG 4.36Å; F558-W589 HydrophobicContact CD1-CZ3 4.17Å; F558-W589 HydrophobicContact CE1-CB 4.03Å; F558-W589 HydrophobicContact CE1-CE3 4.25Å; F558-W589 HydrophobicContact CE2-CB 4.33Å; F558-W589 HydrophobicContact CG-CB 4.49Å; F558-W589 HydrophobicContact CG-CD2 4.01Å; F558-W589 AromaticContact CG-CE3 3.86Å; F558-W589 HydrophobicContact CG-CE3 3.86Å; F558-W589 HydrophobicContact CG-CG 4.29Å; F558-W589 HydrophobicContact CG-CZ3 4.42Å; F558-W589 HydrophobicContact CZ-CB 4.08Å; A559-W589 WeakPolarHBondContact O-CH2 3.31Å; W576-W589 CarbonylContact C-O 3.56Å; W576-W589 VanDerWaalsContact CA-O 3.24Å; W576-W589 WeakPolarHBondContact CA-O 3.45Å; L577-W589 HydrophobicContact CB-CB 4.42Å; L577-W589 PolarHBondContact N-O 3.47Å; L577-W589 VanDerWaalsContact O-CD1 3.29Å; L577-W589 PolarHBondContact O-N 3.12Å; T579-W589 PolarHBondContact OG1-NE1 2.78Å; R587-W589 HydrophobicContact CB-CZ2 4.29Å; W589-S595 WeakPolarHBondContact CA-O 3.46Å; W589-L596 HydrophobicContact CD2-CD1 3.98Å; W589-L596 HydrophobicContact CE3-CB 3.82Å; W589-L596 HydrophobicContact CE3-CD1 3.96Å; W589-L596 HydrophobicContact CH2-CB 4.32Å; W589-L596 HydrophobicContact CH2-CD1 4.11Å; W589-L596 HydrophobicContact CZ2-CD1 4.12Å; W589-L596 HydrophobicContact CZ3-CB 3.64Å; W589-L596 HydrophobicContact CZ3-CD1 4.04Å; W589-L596 HydrophobicContact CZ3-CG 4.33Å |
| 590 | D | 93.1 | Very high | 92 | Very high | 11 Ų | 11 | 21.9 Ų | 21.9 | 6% | 0.059 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120 | 173 | 177.5 | 73.5 | 0 | 0 | 0 | 109.9 | R575 S593 G594 S595 V597 | R575-D590 WeakPolarHBondContact CG-OD1 3.42Å; R575-D590 IonicContact CZ-OD1 2.98Å; R575-D590 IonicContact NE-OD1 3.91Å; R575-D590 PolarHBondContact NE-OD1 3.47Å; R575-D590 IonicContact NH2-OD1 3.55Å; D590-S593 WeakPolarHBondContact CB-OG 3.46Å; D590-S593 PolarHBondContact O-OG 2.86Å; D590-S593 WeakPolarHBondContact OD2-CB 3.39Å; D590-S593 PolarHBondContact OD2-N 2.97Å; D590-S593 PolarHBondContact OD2-OG 2.89Å; D590-G594 VanDerWaalsContact O-CA 3.29Å; D590-G594 WeakPolarHBondContact O-CA 3.46Å; D590-G594 PolarHBondContact O-N 3.01Å; D590-S595 PolarHBondContact N-O 2.94Å; D590-S595 PolarHBondContact O-N 3.48Å; D590-V597 HydrophobicContact CB-CG2 3.47Å; D590-V597 VanDerWaalsContact CB-CG2 3.47Å |
| 591 | L | 92.5 | Very high | 91.8 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -40.7 | -175.1 | -83.3 | 78.8 | 0 | 0 | 0 | 113.5 | M534 V546 R556 F570 R575 L577 | M534-L591 HydrophobicContact CE-CD2 3.53Å; M534-L591 HydrophobicContact SD-CD2 3.57Å; M534-L591 VanDerWaalsContact SD-CD2 3.57Å; V546-L591 HydrophobicContact CG1-CD2 4.26Å; R556-L591 PolarHBondContact NE-O 2.97Å; R556-L591 PolarHBondContact NH2-O 3.37Å; F570-L591 HydrophobicContact CE1-CD2 3.94Å; R575-L591 WeakPolarHBondContact O-CB 3.31Å; R575-L591 WeakPolarHBondContact O-CD1 3.3Å; R575-L591 PolarHBondContact O-N 2.84Å; L577-L591 HydrophobicContact CB-CD1 3.73Å |
| 592 | P | 91.1 | Very high | 91.5 | Very high | 78 Ų | 78 | 24.2 Ų | 24.2 | 51% | 0.506 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -48.8 | 175.8 | -26 | 35.7 | 0 | 0 | 0 | 113.3 | R556 R575 | R556-P592 PolarHBondContact NH2-O 3Å; R575-P592 HydrophobicContact CG-CG 4.11Å |
| 593 | S | 87.6 | Confident | 91.2 | Very high | 61 Ų | 61 | 22 Ų | 22 | 43% | 0.427 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -29.5 | 177.4 | 64.2 | 0 | 0 | 0 | 0 | 112.6 | D590 S595 | D590-S593 WeakPolarHBondContact CB-OG 3.46Å; D590-S593 PolarHBondContact O-OG 2.86Å; D590-S593 WeakPolarHBondContact OD2-CB 3.39Å; D590-S593 PolarHBondContact OD2-N 2.97Å; D590-S593 PolarHBondContact OD2-OG 2.89Å; S593-S595 VanDerWaalsContact C-N 3.34Å; S593-S595 PolarHBondContact OG-N 3.12Å; S593-S595 PolarHBondContact OG-OG 3.47Å |
| 594 | G | 89.4 | Confident | 91.1 | Very high | 27 Ų | 27 | 23.1 Ų | 23.1 | 28% | 0.278 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 24.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D590 | D590-G594 VanDerWaalsContact O-CA 3.29Å; D590-G594 WeakPolarHBondContact O-CA 3.46Å; D590-G594 PolarHBondContact O-N 3.01Å |
| 595 | S | 89.9 | Confident | 91.1 | Very high | 21 Ų | 21 | 22.2 Ų | 22.2 | 15% | 0.147 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 159.7 | -173.3 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | W589 D590 S593 P644 | W589-S595 WeakPolarHBondContact CA-O 3.46Å; D590-S595 PolarHBondContact N-O 2.94Å; D590-S595 PolarHBondContact O-N 3.48Å; S593-S595 VanDerWaalsContact C-N 3.34Å; S593-S595 PolarHBondContact OG-N 3.12Å; S593-S595 PolarHBondContact OG-OG 3.47Å; S595-P644 WeakPolarHBondContact OG-CG 3.42Å |
| 596 | L | 91.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 22 Ų | 22 | 13% | 0.126 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.5 | 169.8 | -178 | 66.7 | 0 | 0 | 0 | 108.6 | R587 W589 C599 P644 L645 | R587-L596 HydrophobicContact CB-CD1 3.75Å; R587-L596 HydrophobicContact CG-CD1 4.09Å; W589-L596 HydrophobicContact CD2-CD1 3.98Å; W589-L596 HydrophobicContact CE3-CB 3.82Å; W589-L596 HydrophobicContact CE3-CD1 3.96Å; W589-L596 HydrophobicContact CH2-CB 4.32Å; W589-L596 HydrophobicContact CH2-CD1 4.11Å; W589-L596 HydrophobicContact CZ2-CD1 4.12Å; W589-L596 HydrophobicContact CZ3-CB 3.64Å; W589-L596 HydrophobicContact CZ3-CD1 4.04Å; W589-L596 HydrophobicContact CZ3-CG 4.33Å; L596-C599 HydrophobicContact CD2-CB 4.22Å; L596-P644 CarbonylContact O-C 3.57Å; L596-P644 WeakPolarHBondContact O-CA 3.27Å; L596-L645 HydrophobicContact CD2-CD1 4.42Å; L596-L645 HydrophobicContact CG-CD1 4.29Å; L596-L645 PolarHBondContact O-N 2.91Å |
| 597 | V | 90.2 | Very high | 91.2 | Very high | 8 Ų | 8 | 24 Ų | 24 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -34.2 | -174.5 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | T588 D590 L642 L645 | T588-V597 PolarHBondContact O-N 2.84Å; D590-V597 HydrophobicContact CB-CG2 3.47Å; D590-V597 VanDerWaalsContact CB-CG2 3.47Å; V597-L642 HydrophobicContact CG1-CB 3.44Å; V597-L642 VanDerWaalsContact CG1-CB 3.44Å; V597-L642 HydrophobicContact CG1-CD1 4.04Å; V597-L642 HydrophobicContact CG1-CD2 3.48Å; V597-L642 VanDerWaalsContact CG1-CD2 3.48Å; V597-L642 HydrophobicContact CG1-CG 3.78Å; V597-L645 WeakPolarHBondContact O-CG 3.17Å |
| 598 | D | 89.6 | Confident | 91.2 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143.1 | 177.9 | -163.1 | 14 | 0 | 0 | 0 | 110.7 | S6 A7 L8 T588 | S6-D598 PolarHBondContact OG-OD2 2.7Å; A7-D598 PolarHBondContact N-OD1 3.18Å; L8-D598 HydrophobicContact CB-CB 4.36Å; L8-D598 VanDerWaalsContact CB-OD2 3.25Å; L8-D598 WeakPolarHBondContact CB-OD2 3.2Å; L8-D598 PolarHBondContact N-OD2 2.73Å; T588-D598 PolarHBondContact N-O 2.81Å; T588-D598 PolarHBondContact O-N 2.78Å |
| 599 | C | 90.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 125.4 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | I586 R587 L596 L645 Y649 | I586-C599 WeakPolarHBondContact O-CA 3.13Å; R587-C599 HydrophobicContact CG-CB 4.32Å; L596-C599 HydrophobicContact CD2-CB 4.22Å; C599-L645 HydrophobicContact CB-CD1 4.07Å; C599-Y649 HydrophobicContact CB-CD1 4.17Å; C599-Y649 HydrophobicContact CB-CE1 3.99Å; C599-Y649 WeakPolarHBondContact O-CE1 3.37Å |
| 600 | F | 90.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 152.5 | 174.4 | 62.9 | -84.9 | 0 | 0 | 0 | 110.6 | S6 F9 I586 V602 W631 E654 | S6-F600 VanDerWaalsContact CB-CD1 3.48Å; F9-F600 HydrophobicContact CB-CE1 4.31Å; F9-F600 HydrophobicContact CB-CZ 4.46Å; F9-F600 HydrophobicContact CD2-CE1 4.15Å; I586-F600 HydrophobicContact CB-CD1 4.37Å; I586-F600 HydrophobicContact CB-CE1 3.88Å; I586-F600 HydrophobicContact CB-CE2 4.09Å; I586-F600 HydrophobicContact CB-CZ 3.74Å; I586-F600 HydrophobicContact CD1-CE2 3.8Å; I586-F600 HydrophobicContact CD1-CZ 3.78Å; I586-F600 HydrophobicContact CG1-CE2 4.17Å; I586-F600 HydrophobicContact CG1-CZ 4.18Å; I586-F600 HydrophobicContact CG2-CE1 3.95Å; I586-F600 HydrophobicContact CG2-CZ 3.92Å; I586-F600 PolarHBondContact N-O 3.26Å; I586-F600 PolarHBondContact O-N 3.27Å; F600-V602 HydrophobicContact CD2-CG1 3.99Å; F600-V602 HydrophobicContact CE2-CG1 3.81Å; F600-W631 HydrophobicContact CE2-CE3 4.32Å; F600-W631 AromaticContact CE2-CH2 3.81Å; F600-W631 HydrophobicContact CE2-CH2 3.81Å; F600-W631 HydrophobicContact CE2-CZ2 4.15Å; F600-W631 AromaticContact CE2-CZ3 3.91Å; F600-W631 HydrophobicContact CE2-CZ3 3.91Å; F600-W631 HydrophobicContact CZ-CE3 4.41Å; F600-W631 HydrophobicContact CZ-CZ3 4.43Å; F600-E654 HydrophobicContact CB-CG 3.98Å; F600-E654 HydrophobicContact CD2-CB 3.91Å; F600-E654 HydrophobicContact CD2-CG 4.02Å; F600-E654 HydrophobicContact CG-CG 4.28Å |
| 601 | L | 90.3 | Very high | 91.4 | Very high | 50 Ų | 50 | 22.9 Ų | 22.9 | 26% | 0.262 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 142.5 | -179.2 | -172.2 | 140.6 | 0 | 0 | 0 | 109.3 | C584 P651 E652 E653 E654 | C584-L601 HydrophobicContact CB-CG 4.39Å; C584-L601 WeakPolarHBondContact O-CA 3.46Å; L601-P651 HydrophobicContact CB-CB 4.09Å; L601-P651 HydrophobicContact CB-CG 4.24Å; L601-P651 HydrophobicContact CD1-CG 4.39Å; L601-E652 WeakPolarHBondContact CB-O 3.42Å; L601-E652 PolarHBondContact N-O 2.78Å; L601-E653 HydrophobicContact CD2-CB 3.87Å; L601-E653 HydrophobicContact CD2-CG 3.83Å; L601-E653 CarbonylContact O-C 3.59Å; L601-E653 WeakPolarHBondContact O-CA 3.41Å; L601-E654 PolarHBondContact O-N 3.21Å |
| 602 | V | 89.2 | Confident | 91.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 148 | 177.7 | -72.4 | 0 | 0 | 0 | 0 | 110.4 | C584 I586 F600 M604 P606 W631 L656 | C584-V602 HydrophobicContact CB-CG2 4.49Å; C584-V602 WeakPolarHBondContact CB-O 3.48Å; C584-V602 VanDerWaalsContact O-CG2 3.23Å; C584-V602 WeakPolarHBondContact O-CG2 3.39Å; C584-V602 PolarHBondContact O-N 3.31Å; I586-V602 HydrophobicContact CD1-CG1 4.15Å; F600-V602 HydrophobicContact CD2-CG1 3.99Å; F600-V602 HydrophobicContact CE2-CG1 3.81Å; V602-M604 VanDerWaalsContact CG2-O 3.24Å; V602-M604 WeakPolarHBondContact CG2-O 3.3Å; V602-M604 PolarHBondContact O-N 2.84Å; V602-M604 VanDerWaalsContact O-N 3.09Å; V602-P606 HydrophobicContact CG2-CG 4.42Å; V602-W631 HydrophobicContact CG1-CH2 4.07Å; V602-W631 HydrophobicContact CG1-CZ2 4.12Å; V602-L656 HydrophobicContact CB-CD2 4.08Å; V602-L656 HydrophobicContact CG1-CD2 4.14Å |
| 603 | A | 86.5 | Confident | 91.5 | Very high | 56 Ų | 56 | 21.3 Ų | 21.3 | 46% | 0.463 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -56.9 | -29.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E653 | A603-E653 WeakPolarHBondContact CB-OE1 3.39Š|
| 604 | M | 90.1 | Very high | 91.8 | Very high | 59 Ų | 59 | 21.1 Ų | 21.1 | 29% | 0.291 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -130.7 | 143.1 | 179.3 | -61.7 | -171.7 | -54.2 | 0 | 0 | 111.2 | V602 H622 V623 L656 | V602-M604 VanDerWaalsContact CG2-O 3.24Å; V602-M604 WeakPolarHBondContact CG2-O 3.3Å; V602-M604 PolarHBondContact O-N 2.84Å; V602-M604 VanDerWaalsContact O-N 3.09Å; M604-H622 HydrophobicContact CB-CB 4.09Å; M604-H622 HydrophobicContact CE-CB 4.08Å; M604-H622 PolarHBondContact O-ND1 2.99Å; M604-V623 WeakPolarHBondContact CE-O 3.39Å; M604-V623 VanDerWaalsContact SD-O 3.37Å; M604-L656 HydrophobicContact CE-CD1 3.77Å |
| 605 | A | 92 | Very high | 91.8 | Very high | 12 Ų | 12 | 20.1 Ų | 20.1 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | trans | -59.8 | 128.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M582 C584 H622 V623 | M582-A605 HydrophobicContact CE-CB 4.29Å; M582-A605 HydrophobicContact SD-CB 4.32Å; C584-A605 PolarHBondContact SG-N 2.87Å; A605-H622 CarbonylContact O-C 3.52Å; A605-H622 WeakPolarHBondContact O-CA 3.46Å; A605-V623 HydrophobicContact CB-CG2 4.13Å; A605-V623 WeakPolarHBondContact O-CG2 3.38Å; A605-V623 PolarHBondContact O-N 2.88Å | ||
| 606 | P | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.1 | 174.9 | 27.9 | -34 | 0 | 0 | 0 | 111.6 | T566 T580 I586 V602 A621 | T566-P606 VanDerWaalsContact CB-O 3.3Å; T566-P606 WeakPolarHBondContact CB-O 3.17Å; T566-P606 WeakPolarHBondContact CG2-O 3.49Å; T566-P606 PolarHBondContact OG1-O 2.95Å; T580-P606 HydrophobicContact CG2-CB 3.95Å; T580-P606 HydrophobicContact CG2-CG 3.96Å; I586-P606 HydrophobicContact CG1-CG 4.24Å; V602-P606 HydrophobicContact CG2-CG 4.42Å; P606-A621 CarbonylContact C-O 3.59Å; P606-A621 VanDerWaalsContact CA-O 3.31Å; P606-A621 WeakPolarHBondContact CA-O 3.31Å |
| 607 | V | 93.5 | Very high | 92.1 | Very high | 44 Ų | 44 | 23.1 Ų | 23.1 | 27% | 0.267 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -34.9 | 178.1 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | T322 A621 V623 | T322-V607 WeakPolarHBondContact O-CG1 3.35Å; V607-A621 PolarHBondContact N-O 3.29Å; V607-V623 HydrophobicContact CG2-CB 4.37Å; V607-V623 HydrophobicContact CG2-CG2 3.42Å; V607-V623 VanDerWaalsContact CG2-CG2 3.42Å |
| 608 | G | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 147.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I324 T620 A621 | I324-G608 WeakPolarHBondContact CD1-O 3.39Å; G608-T620 WeakPolarHBondContact O-CA 3.44Å; G608-A621 PolarHBondContact N-O 3.11Å; G608-A621 PolarHBondContact O-N 2.89Å |
| 609 | V | 95.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 136.7 | -178.1 | 73.1 | 0 | 0 | 0 | 0 | 110.9 | D567 T569 V578 T580 L618 A619 T620 | D567-V609 HydrophobicContact CB-CG1 3.9Å; D567-V609 PolarHBondContact OD2-N 3.14Å; T569-V609 HydrophobicContact CG2-CG1 4Å; T569-V609 HydrophobicContact CG2-CG2 3.99Å; V578-V609 HydrophobicContact CG1-CG2 4.25Å; T580-V609 HydrophobicContact CG2-CB 3.65Å; T580-V609 HydrophobicContact CG2-CG1 4.03Å; T580-V609 HydrophobicContact CG2-CG2 3.86Å; V609-L618 HydrophobicContact CG2-CD1 3.52Å; V609-L618 HydrophobicContact CG2-CG 4.28Å; V609-A619 WeakPolarHBondContact CA-O 3.2Å; V609-T620 HydrophobicContact CG2-CG2 4.3Å |
| 610 | S | 95.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 6% | 0.063 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 126.5 | 175.9 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | H326 A619 | H326-S610 PolarHBondContact CE1-O 3.3Å; H326-S610 PolarHBondContact N-OG 3.46Å; H326-S610 WeakPolarHBondContact ND1-CB 3.44Å; H326-S610 PolarHBondContact ND1-O 3.43Å; H326-S610 PolarHBondContact ND1-OG 2.89Å; S610-A619 PolarHBondContact N-O 2.89Å; S610-A619 PolarHBondContact O-N 3.34Å |
| 611 | M | 95.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 4% | 0.044 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 140.1 | 168.5 | -80.8 | -65.1 | -76.9 | 0 | 0 | 110.4 | F9 H326 T569 F570 V578 L618 | F9-M611 HydrophobicContact CE1-CE 4.14Å; F9-M611 HydrophobicContact CE1-SD 3.93Å; F9-M611 HydrophobicContact CZ-CE 4.27Å; F9-M611 HydrophobicContact CZ-SD 3.99Å; H326-M611 VanDerWaalsContact ND1-C 3.29Å; H326-M611 PolarHBondContact ND1-O 3.5Å; H326-M611 VanDerWaalsContact ND1-O 3.13Å; T569-M611 HydrophobicContact CG2-CB 4.02Å; T569-M611 HydrophobicContact CG2-CG 3.6Å; T569-M611 PolarHBondContact OG1-N 2.8Å; F570-M611 WeakPolarHBondContact O-CB 3.36Å; V578-M611 HydrophobicContact CG2-CG 4.46Å; M611-L618 HydrophobicContact CG-CD1 3.72Å; M611-L618 HydrophobicContact SD-CB 3.62Å; M611-L618 HydrophobicContact SD-CD1 3.36Å; M611-L618 WeakPolarHBondContact SD-CD1 3.33Å; M611-L618 HydrophobicContact SD-CG 4.09Å |
| 612 | S | 94.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | trans | -61 | 136.7 | 169.9 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | H326 G331 P572 T614 G615 F617 | H326-S612 PolarHBondContact CE1-N 2.93Å; H326-S612 VanDerWaalsContact CE1-N 3.33Å; H326-S612 PolarHBondContact ND1-N 2.95Å; G331-S612 WeakPolarHBondContact CA-OG 3.4Å; P572-S612 WeakPolarHBondContact CG-O 3.23Å; S612-T614 PolarHBondContact O-N 2.92Å; S612-T614 PolarHBondContact OG-N 3.39Å; S612-T614 PolarHBondContact OG-OG1 3.14Å; S612-G615 PolarHBondContact O-N 2.86Å; S612-F617 WeakPolarHBondContact CB-O 3.36Å; S612-F617 PolarHBondContact N-O 2.8Å | ||
| 613 | P | 92.4 | Very high | 93.4 | Very high | 55 Ų | 55 | 22.4 Ų | 22.4 | 36% | 0.357 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.4 | 172.8 | -29 | 39.1 | 0 | 0 | 0 | 114.7 | H326 G328 P572 | H326-P613 HydrophobicContact CB-CG 4.33Å; G328-P613 WeakPolarHBondContact O-CG 3.41Å; P572-P613 WeakPolarHBondContact CB-O 3.4Å; P572-P613 WeakPolarHBondContact CG-O 3.42Å |
| 614 | T | 91.9 | Very high | 93.5 | Very high | 58 Ų | 58 | 26 Ų | 26 | 36% | 0.356 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -18.6 | 172.3 | 57 | 0 | 0 | 0 | 0 | 113.3 | S612 D616 | S612-T614 PolarHBondContact O-N 2.92Å; S612-T614 PolarHBondContact OG-N 3.39Å; S612-T614 PolarHBondContact OG-OG1 3.14Å; T614-D616 WeakPolarHBondContact CB-OD2 3.5Å; T614-D616 PolarHBondContact OG1-OD2 2.97Å |
| 615 | G | 91.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 6% | 0.062 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 89.9 | -2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S612 N633 L636 | S612-G615 PolarHBondContact O-N 2.86Å; G615-N633 VanDerWaalsContact O-CB 3.24Å; G615-N633 WeakPolarHBondContact O-CB 3.5Å; G615-N633 PolarHBondContact O-ND2 2.94Å; G615-L636 WeakPolarHBondContact O-CD1 3.44Å |
| 616 | D | 92.1 | Very high | 93.5 | Very high | 72 Ų | 72 | 25.1 Ų | 25.1 | 39% | 0.385 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -68.1 | -44.1 | -173.7 | -55.9 | -33.7 | 0 | 0 | 0 | 113.4 | T614 N633 L636 | T614-D616 WeakPolarHBondContact CB-OD2 3.5Å; T614-D616 PolarHBondContact OG1-OD2 2.97Å; D616-N633 PolarHBondContact O-N 3.33Å; D616-L636 HydrophobicContact CB-CD1 4.44Å; D616-L636 WeakPolarHBondContact OD1-CD1 3.48Å |
| 617 | F | 94.2 | Very high | 93.3 | Very high | 36 Ų | 36 | 25.1 Ų | 25.1 | 16% | 0.158 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.8 | -173.3 | -61 | -74.2 | 0 | 0 | 0 | 112.1 | F12 S612 L630 W631 T632 | F12-F617 HydrophobicContact CD1-CD1 4.28Å; F12-F617 AromaticContact CD1-CE1 3.53Å; F12-F617 HydrophobicContact CD1-CE1 3.53Å; F12-F617 HydrophobicContact CD1-CZ 4.24Å; F12-F617 AromaticContact CE1-CE1 3.8Å; F12-F617 HydrophobicContact CE1-CE1 3.8Å; F12-F617 HydrophobicContact CE1-CZ 4.04Å; F12-F617 HydrophobicContact CG-CE1 4.04Å; F12-F617 HydrophobicContact CZ-CE1 4.49Å; S612-F617 WeakPolarHBondContact CB-O 3.36Å; S612-F617 PolarHBondContact N-O 2.8Å; F617-L630 HydrophobicContact CD1-CB 4.43Å; F617-W631 CarbonylContact C-O 3.48Å; F617-W631 VanDerWaalsContact CA-O 3.24Å; F617-W631 WeakPolarHBondContact CA-O 3.19Å; F617-T632 HydrophobicContact CD1-CG2 3.87Å; F617-T632 HydrophobicContact CE1-CG2 3.46Å; F617-T632 VanDerWaalsContact CE1-CG2 3.46Å; F617-T632 HydrophobicContact CZ-CG2 4.48Å |
| 618 | L | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.2 | 158.8 | 179.6 | 73.4 | 0 | 0 | 0 | 107.8 | F9 T569 V578 V609 M611 T620 L630 W631 | F9-L618 HydrophobicContact CD1-CB 3.87Å; F9-L618 HydrophobicContact CD1-CD2 4.12Å; F9-L618 HydrophobicContact CD2-CD2 4.02Å; F9-L618 HydrophobicContact CE1-CB 3.71Å; F9-L618 HydrophobicContact CE1-CD2 4.14Å; F9-L618 HydrophobicContact CE1-CG 4.43Å; F9-L618 HydrophobicContact CE2-CD2 4.02Å; F9-L618 HydrophobicContact CG-CD2 4.06Å; F9-L618 HydrophobicContact CZ-CB 4.31Å; F9-L618 HydrophobicContact CZ-CD2 4.08Å; T569-L618 HydrophobicContact CG2-CD1 4.29Å; V578-L618 HydrophobicContact CB-CD1 4.5Å; V578-L618 HydrophobicContact CG1-CD1 4.04Å; V578-L618 HydrophobicContact CG1-CD2 4.27Å; V609-L618 HydrophobicContact CG2-CD1 3.52Å; V609-L618 HydrophobicContact CG2-CG 4.28Å; M611-L618 HydrophobicContact CG-CD1 3.72Å; M611-L618 HydrophobicContact SD-CB 3.62Å; M611-L618 HydrophobicContact SD-CD1 3.36Å; M611-L618 WeakPolarHBondContact SD-CD1 3.33Å; M611-L618 HydrophobicContact SD-CG 4.09Å; L618-T620 HydrophobicContact CD2-CG2 4.28Å; L618-T620 HydrophobicContact CG-CG2 4.3Å; L618-L630 WeakPolarHBondContact O-CA 3.01Å; L618-W631 HydrophobicContact CB-CB 4.17Å; L618-W631 HydrophobicContact CD2-CG 4.49Å; L618-W631 PolarHBondContact N-O 2.79Å; L618-W631 PolarHBondContact O-N 3.02Å |
| 619 | A | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I324 I334 V609 S610 V628 Y629 L630 | I324-A619 HydrophobicContact CD1-CB 4.02Å; I324-A619 VanDerWaalsContact CD1-O 3.31Å; I324-A619 WeakPolarHBondContact CD1-O 3.35Å; I334-A619 HydrophobicContact CD1-CB 3.8Å; V609-A619 WeakPolarHBondContact CA-O 3.2Å; S610-A619 PolarHBondContact N-O 2.89Å; S610-A619 PolarHBondContact O-N 3.34Å; A619-V628 HydrophobicContact CB-CG1 4.12Å; A619-Y629 CarbonylContact C-O 3.51Å; A619-Y629 WeakPolarHBondContact CA-O 3.5Å; A619-L630 HydrophobicContact CB-CD2 3.96Å |
| 620 | T | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 144.4 | 175.7 | 63.3 | 0 | 0 | 0 | 0 | 111.2 | I586 G608 V609 L618 H622 Y629 W631 | I586-T620 HydrophobicContact CD1-CG2 3.79Å; G608-T620 WeakPolarHBondContact O-CA 3.44Å; V609-T620 HydrophobicContact CG2-CG2 4.3Å; L618-T620 HydrophobicContact CD2-CG2 4.28Å; L618-T620 HydrophobicContact CG-CG2 4.3Å; T620-H622 WeakPolarHBondContact CB-NE2 3.27Å; T620-H622 PolarHBondContact OG1-NE2 3.38Å; T620-Y629 PolarHBondContact N-O 2.97Å; T620-Y629 PolarHBondContact O-N 3.2Å; T620-W631 PolarHBondContact OG1-NE1 3.44Å |
| 621 | A | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | P321 I324 P606 V607 G608 | P321-A621 HydrophobicContact CB-CB 4.29Å; P321-A621 HydrophobicContact CG-CB 3.74Å; I324-A621 HydrophobicContact CD1-CB 3.97Å; I324-A621 HydrophobicContact CG1-CB 4.21Å; I324-A621 HydrophobicContact CG2-CB 3.94Å; P606-A621 CarbonylContact C-O 3.59Å; P606-A621 VanDerWaalsContact CA-O 3.31Å; P606-A621 WeakPolarHBondContact CA-O 3.31Å; V607-A621 PolarHBondContact N-O 3.29Å; G608-A621 PolarHBondContact N-O 3.11Å; G608-A621 PolarHBondContact O-N 2.89Å |
| 622 | H | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 157.9 | -174.5 | -61.5 | -99.3 | 0 | 0 | 0 | 111.6 | M604 A605 T620 Y629 L656 | M604-H622 HydrophobicContact CB-CB 4.09Å; M604-H622 HydrophobicContact CE-CB 4.08Å; M604-H622 PolarHBondContact O-ND1 2.99Å; A605-H622 CarbonylContact O-C 3.52Å; A605-H622 WeakPolarHBondContact O-CA 3.46Å; T620-H622 WeakPolarHBondContact CB-NE2 3.27Å; T620-H622 PolarHBondContact OG1-NE2 3.38Å; H622-Y629 AromaticContact CD2-CD2 3.36Å; H622-Y629 WeakPolarHBondContact CD2-CD2 3.4Å; H622-Y629 AromaticContact CD2-CE2 3.68Å; H622-Y629 AromaticContact NE2-CD2 3.97Å; H622-L656 WeakPolarHBondContact CE1-CD2 3.27Å; H622-L656 WeakPolarHBondContact NE2-CD2 2.85Å |
| 623 | V | 92.1 | Very high | 92.9 | Very high | 52 Ų | 52 | 25.4 Ų | 25.4 | 32% | 0.315 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 140.9 | 170.5 | -179.4 | 0 | 0 | 0 | 0 | 109 | M604 A605 V607 S625 | M604-V623 WeakPolarHBondContact CE-O 3.39Å; M604-V623 VanDerWaalsContact SD-O 3.37Å; A605-V623 HydrophobicContact CB-CG2 4.13Å; A605-V623 WeakPolarHBondContact O-CG2 3.38Å; A605-V623 PolarHBondContact O-N 2.88Å; V607-V623 HydrophobicContact CG2-CB 4.37Å; V607-V623 HydrophobicContact CG2-CG2 3.42Å; V607-V623 VanDerWaalsContact CG2-CG2 3.42Å; V623-S625 PolarHBondContact O-N 3.38Å |
| 624 | D | 87.4 | Confident | 92.8 | Very high | 131 Ų | 131 | 26.5 Ų | 26.5 | 70% | 0.701 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 3.3 | 177.5 | -58.5 | -27.7 | 0 | 0 | 0 | 117.4 | ||
| 625 | S | 90.5 | Very high | 92.5 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | trans | -96.7 | 141.3 | 167.7 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | P320 P321 V623 G627 Y629 | P320-S625 VanDerWaalsContact CA-O 3.28Å; P320-S625 WeakPolarHBondContact CA-O 3.41Å; P320-S625 VanDerWaalsContact CB-O 3.26Å; P320-S625 WeakPolarHBondContact CB-O 3.19Å; P321-S625 WeakPolarHBondContact CD-O 3.44Å; V623-S625 PolarHBondContact O-N 3.38Å; S625-G627 PolarHBondContact OG-N 3.12Å; S625-Y629 WeakPolarHBondContact CB-OH 3.42Å; S625-Y629 VanDerWaalsContact OG-CE2 3.24Å; S625-Y629 WeakPolarHBondContact OG-CE2 3.49Å; S625-Y629 PolarHBondContact OG-OH 3.11Å | ||
| 626 | L | 91.8 | Very high | 92.2 | Very high | 43 Ų | 43 | 30 Ų | 30 | 23% | 0.225 | 16% | 0.158 | C | C | . | . | trans | -83 | -18.3 | 174.7 | -58.5 | 178.9 | 0 | 0 | 0 | 113.2 | L17 N294 A319 | L17-L626 HydrophobicContact CD2-CB 3.66Å; N294-L626 HydrophobicContact CB-CD1 4.03Å; A319-L626 VanDerWaalsContact C-CD2 3.47Å | ||
| 627 | G | 91.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -94.1 | 162.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | L15 S625 | L15-G627 WeakPolarHBondContact O-CA 3.46Å; S625-G627 PolarHBondContact OG-N 3.12Å |
| 628 | V | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.1 | 167.2 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | V14 L15 I324 F346 A619 | V14-V628 CarbonylContact C-O 3.58Å; V14-V628 WeakPolarHBondContact CA-O 3.31Å; L15-V628 HydrophobicContact CB-CB 4.41Å; L15-V628 PolarHBondContact N-O 3.5Å; L15-V628 PolarHBondContact O-N 2.99Å; I324-V628 HydrophobicContact CD1-CG1 4.21Å; I324-V628 HydrophobicContact CG2-CG1 4.45Å; I324-V628 HydrophobicContact CG2-CG2 3.99Å; F346-V628 HydrophobicContact CD2-CG2 4.19Å; F346-V628 HydrophobicContact CE2-CG2 4.35Å; A619-V628 HydrophobicContact CB-CG1 4.12Å |
| 629 | Y | 93.9 | Very high | 89.9 | Confident | 22 Ų | 22 | 36 Ų | 36 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.7 | -175.1 | -62.3 | -98.7 | 0 | 0 | 0 | 109.9 | V14 A619 T620 H622 S625 L656 P657 | V14-Y629 HydrophobicContact CB-CD1 4.41Å; V14-Y629 HydrophobicContact CG1-CD1 4.19Å; V14-Y629 HydrophobicContact CG1-CE1 4.16Å; V14-Y629 HydrophobicContact CG1-CG 4.41Å; V14-Y629 HydrophobicContact CG2-CD1 3.49Å; V14-Y629 VanDerWaalsContact CG2-CD1 3.49Å; V14-Y629 HydrophobicContact CG2-CE1 3.53Å; V14-Y629 HydrophobicContact CG2-CG 4.38Å; A619-Y629 CarbonylContact C-O 3.51Å; A619-Y629 WeakPolarHBondContact CA-O 3.5Å; T620-Y629 PolarHBondContact N-O 2.97Å; T620-Y629 PolarHBondContact O-N 3.2Å; H622-Y629 AromaticContact CD2-CD2 3.36Å; H622-Y629 WeakPolarHBondContact CD2-CD2 3.4Å; H622-Y629 AromaticContact CD2-CE2 3.68Å; H622-Y629 AromaticContact NE2-CD2 3.97Å; S625-Y629 WeakPolarHBondContact CB-OH 3.42Å; S625-Y629 VanDerWaalsContact OG-CE2 3.24Å; S625-Y629 WeakPolarHBondContact OG-CE2 3.49Å; S625-Y629 PolarHBondContact OG-OH 3.11Å; Y629-L656 HydrophobicContact CD1-CB 4.02Å; Y629-L656 HydrophobicContact CE1-CB 3.71Å; Y629-L656 HydrophobicContact CE1-CD1 4.2Å; Y629-L656 HydrophobicContact CE1-CG 4.42Å; Y629-P657 HydrophobicContact CD1-CB 4.26Å; Y629-P657 HydrophobicContact CD1-CG 4.22Å; Y629-P657 WeakPolarHBondContact CD1-O 3.34Å; Y629-P657 WeakPolarHBondContact CE1-O 3.25Å |
| 630 | L | 94.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 136.8 | 176.8 | -63.3 | -178.2 | 0 | 0 | 0 | 110.7 | F12 R13 L15 I334 T348 F617 L618 A619 | F12-L630 HydrophobicContact CB-CB 4.4Å; F12-L630 WeakPolarHBondContact CB-O 3.45Å; F12-L630 HydrophobicContact CD1-CB 4.32Å; F12-L630 HydrophobicContact CD1-CD1 4.29Å; F12-L630 PolarHBondContact N-O 3.23Å; R13-L630 HydrophobicContact CG-CD1 4.01Å; R13-L630 WeakPolarHBondContact O-CB 3.49Å; R13-L630 PolarHBondContact O-N 2.87Å; L15-L630 HydrophobicContact CD1-CD1 3.88Å; L15-L630 HydrophobicContact CD1-CD2 4.2Å; L15-L630 HydrophobicContact CD1-CG 4.11Å; L15-L630 HydrophobicContact CD2-CD1 4.06Å; L15-L630 HydrophobicContact CG-CD1 3.91Å; L15-L630 HydrophobicContact CG-CG 4.09Å; I334-L630 HydrophobicContact CD1-CD2 3.65Å; T348-L630 HydrophobicContact CG2-CD1 4.14Å; T348-L630 HydrophobicContact CG2-CD2 4.33Å; F617-L630 HydrophobicContact CD1-CB 4.43Å; L618-L630 WeakPolarHBondContact O-CA 3.01Å; A619-L630 HydrophobicContact CB-CD2 3.96Å |
| 631 | W | 93.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.3 | 172.7 | -44 | 76.8 | 0 | 0 | 0 | 108.9 | F9 S10 F600 V602 F617 L618 T620 E654 L656 P657 | F9-W631 HydrophobicContact CB-CB 4.03Å; F9-W631 HydrophobicContact CD1-CB 4.42Å; S10-W631 CarbonylContact O-C 3.6Å; S10-W631 WeakPolarHBondContact O-CA 3.35Å; F600-W631 HydrophobicContact CE2-CE3 4.32Å; F600-W631 AromaticContact CE2-CH2 3.81Å; F600-W631 HydrophobicContact CE2-CH2 3.81Å; F600-W631 HydrophobicContact CE2-CZ2 4.15Å; F600-W631 AromaticContact CE2-CZ3 3.91Å; F600-W631 HydrophobicContact CE2-CZ3 3.91Å; F600-W631 HydrophobicContact CZ-CE3 4.41Å; F600-W631 HydrophobicContact CZ-CZ3 4.43Å; V602-W631 HydrophobicContact CG1-CH2 4.07Å; V602-W631 HydrophobicContact CG1-CZ2 4.12Å; F617-W631 CarbonylContact C-O 3.48Å; F617-W631 VanDerWaalsContact CA-O 3.24Å; F617-W631 WeakPolarHBondContact CA-O 3.19Å; L618-W631 HydrophobicContact CB-CB 4.17Å; L618-W631 HydrophobicContact CD2-CG 4.49Å; L618-W631 PolarHBondContact N-O 2.79Å; L618-W631 PolarHBondContact O-N 3.02Å; T620-W631 PolarHBondContact OG1-NE1 3.44Å; W631-E654 HydrophobicContact CZ3-CB 4.49Å; W631-L656 HydrophobicContact CZ2-CD2 4.19Å; W631-P657 HydrophobicContact CD2-CG 4.11Å; W631-P657 HydrophobicContact CE3-CG 4.24Å; W631-P657 HydrophobicContact CH2-CG 4.19Å; W631-P657 HydrophobicContact CZ2-CG 4.05Å; W631-P657 HydrophobicContact CZ3-CG 4.28Å |
| 632 | T | 92.8 | Very high | 86.7 | Confident | 39 Ų | 39 | 40.5 Ų | 40.5 | 24% | 0.239 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 139.2 | 174.5 | 43.1 | 0 | 0 | 0 | 0 | 110.5 | F9 S10 F12 F617 R634 | F9-T632 WeakPolarHBondContact CA-O 3.44Å; S10-T632 PolarHBondContact N-O 3.04Å; S10-T632 PolarHBondContact O-N 3Å; S10-T632 PolarHBondContact O-OG1 3.35Å; S10-T632 PolarHBondContact OG-OG1 3.43Å; F12-T632 HydrophobicContact CB-CG2 3.83Å; F12-T632 HydrophobicContact CD2-CG2 3.9Å; F12-T632 HydrophobicContact CG-CG2 3.86Å; F617-T632 HydrophobicContact CD1-CG2 3.87Å; F617-T632 HydrophobicContact CE1-CG2 3.46Å; F617-T632 VanDerWaalsContact CE1-CG2 3.46Å; F617-T632 HydrophobicContact CZ-CG2 4.48Å; T632-R634 PolarHBondContact O-N 3.06Å |
| 633 | N | 91.6 | Very high | 86.1 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 113.6 | 172.3 | -178.1 | 3.7 | 0 | 0 | 0 | 110.7 | L8 F9 G615 D616 S635 L636 | L8-N633 WeakPolarHBondContact CD2-OD1 3.37Å; F9-N633 HydrophobicContact CE1-CB 4.34Å; G615-N633 VanDerWaalsContact O-CB 3.24Å; G615-N633 WeakPolarHBondContact O-CB 3.5Å; G615-N633 PolarHBondContact O-ND2 2.94Å; D616-N633 PolarHBondContact O-N 3.33Å; N633-S635 VanDerWaalsContact C-N 3.28Å; N633-S635 PolarHBondContact ND2-OG 2.95Å; N633-S635 VanDerWaalsContact ND2-OG 3.08Å; N633-S635 PolarHBondContact O-N 3.29Å; N633-S635 VanDerWaalsContact OD1-CB 3.31Å; N633-S635 WeakPolarHBondContact OD1-CB 3.32Å; N633-S635 PolarHBondContact OD1-N 3.48Å; N633-S635 PolarHBondContact OD1-OG 3.14Å; N633-L636 HydrophobicContact CB-CD1 4.32Å |
| 634 | R | 88.8 | Confident | 85.7 | Confident | 78 Ų | 78 | 49.3 Ų | 49.3 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -69.5 | -24.1 | 179.4 | -69.9 | 179.3 | 165.5 | 175.1 | -9.1 | 112.9 | S6 L8 S10 T632 L636 C637 G638 V640 | S6-R634 PolarHBondContact O-NH1 3.19Å; L8-R634 WeakPolarHBondContact O-CB 3.38Å; L8-R634 PolarHBondContact O-N 3.12Å; S10-R634 PolarHBondContact OG-NE 3.05Å; T632-R634 PolarHBondContact O-N 3.06Å; R634-L636 PolarHBondContact O-N 3.2Å; R634-L636 VanDerWaalsContact O-N 3.11Å; R634-C637 PolarHBondContact O-N 3.36Å; R634-G638 PolarHBondContact O-N 3.33Å; R634-V640 HydrophobicContact CB-CG2 4.29Å |
| 635 | S | 85.6 | Confident | 85.6 | Confident | 40 Ų | 40 | 45.2 Ų | 45.2 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -64.1 | -18.3 | -178.8 | 85.1 | 0 | 0 | 0 | 0 | 113.8 | W576 N633 G638 | W576-S635 WeakPolarHBondContact CH2-OG 3.4Å; N633-S635 VanDerWaalsContact C-N 3.28Å; N633-S635 PolarHBondContact ND2-OG 2.95Å; N633-S635 VanDerWaalsContact ND2-OG 3.08Å; N633-S635 PolarHBondContact O-N 3.29Å; N633-S635 VanDerWaalsContact OD1-CB 3.31Å; N633-S635 WeakPolarHBondContact OD1-CB 3.32Å; N633-S635 PolarHBondContact OD1-N 3.48Å; N633-S635 PolarHBondContact OD1-OG 3.14Å; S635-G638 CarbonylContact C-O 3.57Å |
| 636 | L | 85.8 | Confident | 85.1 | Confident | 97 Ų | 97 | 48.9 Ų | 48.9 | 51% | 0.508 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -83.4 | -21.7 | 177 | -66.5 | 171.9 | 0 | 0 | 0 | 112.5 | G615 D616 N633 R634 | G615-L636 WeakPolarHBondContact O-CD1 3.44Å; D616-L636 HydrophobicContact CB-CD1 4.44Å; D616-L636 WeakPolarHBondContact OD1-CD1 3.48Å; N633-L636 HydrophobicContact CB-CD1 4.32Å; R634-L636 PolarHBondContact O-N 3.2Å; R634-L636 VanDerWaalsContact O-N 3.11Å |
| 637 | C | 80.4 | Confident | 84.2 | Confident | 124 Ų | 124 | 52 Ų | 52 | 84% | 0.838 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -17 | -178.8 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | R634 | R634-C637 PolarHBondContact O-N 3.36Š|
| 638 | G | 77.6 | Confident | 83.4 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -176.1 | 166.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R634 S635 V640 | R634-G638 PolarHBondContact O-N 3.33Å; S635-G638 CarbonylContact C-O 3.57Å; G638-V640 PolarHBondContact O-N 3.18Å |
| 639 | P | 74.8 | Confident | 82.6 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 53% | 0.532 | 37% | 0.367 | S | S | . | . | trans | -65.3 | 127.2 | 175.4 | 28.1 | -32.7 | 0 | 0 | 0 | 109.7 | ||||
| 640 | V | 76.6 | Confident | 81.6 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 26% | 0.255 | 40% | 0.4 | S | S | . | . | trans | -107.9 | 123.1 | 174.2 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | A7 R634 G638 L642 | A7-V640 HydrophobicContact CB-CG1 4.4Å; R634-V640 HydrophobicContact CB-CG2 4.29Å; G638-V640 PolarHBondContact O-N 3.18Å; V640-L642 HydrophobicContact CB-CD2 4.25Å; V640-L642 HydrophobicContact CB-CG 4.5Å; V640-L642 HydrophobicContact CG1-CD2 3.6Å; V640-L642 HydrophobicContact CG1-CG 4.3Å; V640-L642 WeakPolarHBondContact O-CG 3.39Å; V640-L642 PolarHBondContact O-N 2.8Å; V640-L642 VanDerWaalsContact O-N 3.09Å | ||
| 641 | G | 71.8 | Confident | 80.9 | Confident | 30 Ų | 30 | 71.3 Ų | 71.3 | 31% | 0.309 | 41% | 0.412 | S | S | . | . | trans | -69.8 | 101.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 642 | L | 73.5 | Confident | 79.9 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 12% | 0.115 | 43% | 0.43 | C | S | . | . | trans | -100.7 | 83.8 | -174.4 | -69.8 | -172.2 | 0 | 0 | 0 | 110.8 | L8 W576 V597 V640 | L8-L642 HydrophobicContact CD1-CD1 3.88Å; L8-L642 HydrophobicContact CD1-CD2 3.74Å; L8-L642 HydrophobicContact CG-CD2 4.37Å; W576-L642 HydrophobicContact CH2-CD1 4.34Å; W576-L642 HydrophobicContact CZ2-CD1 3.42Å; W576-L642 VanDerWaalsContact CZ2-CD1 3.42Å; V597-L642 HydrophobicContact CG1-CB 3.44Å; V597-L642 VanDerWaalsContact CG1-CB 3.44Å; V597-L642 HydrophobicContact CG1-CD1 4.04Å; V597-L642 HydrophobicContact CG1-CD2 3.48Å; V597-L642 VanDerWaalsContact CG1-CD2 3.48Å; V597-L642 HydrophobicContact CG1-CG 3.78Å; V640-L642 HydrophobicContact CB-CD2 4.25Å; V640-L642 HydrophobicContact CB-CG 4.5Å; V640-L642 HydrophobicContact CG1-CD2 3.6Å; V640-L642 HydrophobicContact CG1-CG 4.3Å; V640-L642 WeakPolarHBondContact O-CG 3.39Å; V640-L642 PolarHBondContact O-N 2.8Å; V640-L642 VanDerWaalsContact O-N 3.09Å | ||
| 643 | R | 80.1 | Confident | 79.1 | Confident | 154 Ų | 154 | 79.6 Ų | 79.6 | 58% | 0.581 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -92.1 | 150.7 | 174.7 | -68.7 | -175.1 | -179 | 169.7 | 4.1 | 111.6 | L645 | R643-L645 PolarHBondContact O-N 3.03Š|
| 644 | P | 83.8 | Confident | 78.3 | Confident | 84 Ų | 84 | 81 Ų | 81 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 125.3 | 168.5 | -23.8 | 32.4 | 0 | 0 | 0 | 110.9 | S595 L596 | S595-P644 WeakPolarHBondContact OG-CG 3.42Å; L596-P644 CarbonylContact O-C 3.57Å; L596-P644 WeakPolarHBondContact O-CA 3.27Å |
| 645 | L | 85.1 | Confident | 77.5 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 24% | 0.236 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 144.7 | 172 | -68.2 | 176.2 | 0 | 0 | 0 | 110.1 | L596 V597 C599 R643 Y649 | L596-L645 HydrophobicContact CD2-CD1 4.42Å; L596-L645 HydrophobicContact CG-CD1 4.29Å; L596-L645 PolarHBondContact O-N 2.91Å; V597-L645 WeakPolarHBondContact O-CG 3.17Å; C599-L645 HydrophobicContact CB-CD1 4.07Å; R643-L645 PolarHBondContact O-N 3.03Å; L645-Y649 HydrophobicContact CB-CG 4.41Å; L645-Y649 HydrophobicContact CD1-CD1 3.95Å; L645-Y649 HydrophobicContact CD1-CE1 4.04Å; L645-Y649 HydrophobicContact CD1-CG 4.25Å; L645-Y649 HydrophobicContact CD2-CD2 4.11Å; L645-Y649 HydrophobicContact CD2-CE2 4.16Å; L645-Y649 HydrophobicContact CD2-CG 4.43Å |
| 646 | P | 80.9 | Confident | 77 | Confident | 86 Ų | 86 | 82.4 Ų | 82.4 | 56% | 0.558 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 152.4 | 175.2 | 26.1 | -31.6 | 0 | 0 | 0 | 110.9 | D648 Y649 | P646-D648 PolarHBondContact O-N 3.47Å; P646-Y649 VanDerWaalsContact O-CB 3.22Å; P646-Y649 WeakPolarHBondContact O-CB 3.48Å; P646-Y649 PolarHBondContact O-N 2.86Å; P646-Y649 VanDerWaalsContact O-N 3.09Å |
| 647 | A | 72.4 | Confident | 76.1 | Confident | 108 Ų | 108 | 78.2 Ų | 78.2 | 89% | 0.893 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y649 | A647-Y649 VanDerWaalsContact C-N 3.31Å; A647-Y649 PolarHBondContact O-N 2.91Å |
| 648 | D | 73.5 | Confident | 75.1 | Confident | 152 Ų | 152 | 74 Ų | 74 | 81% | 0.813 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 12.9 | 179.9 | -56 | -37.6 | 0 | 0 | 0 | 113.4 | P646 Q650 | P646-D648 PolarHBondContact O-N 3.47Å; D648-Q650 PolarHBondContact O-N 3.48Å |
| 649 | Y | 77.6 | Confident | 74 | Confident | 73 Ų | 73 | 73.6 Ų | 73.6 | 29% | 0.286 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 120.4 | -179.4 | -179.5 | -97.1 | 0 | 0 | 0 | 111.4 | C599 L645 P646 A647 P651 | C599-Y649 HydrophobicContact CB-CD1 4.17Å; C599-Y649 HydrophobicContact CB-CE1 3.99Å; C599-Y649 WeakPolarHBondContact O-CE1 3.37Å; L645-Y649 HydrophobicContact CB-CG 4.41Å; L645-Y649 HydrophobicContact CD1-CD1 3.95Å; L645-Y649 HydrophobicContact CD1-CE1 4.04Å; L645-Y649 HydrophobicContact CD1-CG 4.25Å; L645-Y649 HydrophobicContact CD2-CD2 4.11Å; L645-Y649 HydrophobicContact CD2-CE2 4.16Å; L645-Y649 HydrophobicContact CD2-CG 4.43Å; P646-Y649 VanDerWaalsContact O-CB 3.22Å; P646-Y649 WeakPolarHBondContact O-CB 3.48Å; P646-Y649 PolarHBondContact O-N 2.86Å; P646-Y649 VanDerWaalsContact O-N 3.09Å; A647-Y649 VanDerWaalsContact C-N 3.31Å; A647-Y649 PolarHBondContact O-N 2.91Å; Y649-P651 HydrophobicContact CE1-CB 4.33Å |
| 650 | Q | 74.6 | Confident | 72.6 | Confident | 168 Ų | 168 | 70.3 Ų | 70.3 | 79% | 0.785 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -92.3 | 120.9 | 173 | -67.5 | -176.3 | 2 | 0 | 0 | 109.1 | D648 | D648-Q650 PolarHBondContact O-N 3.48Š|
| 651 | P | 77.8 | Confident | 71 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 23% | 0.234 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 135.8 | 179.7 | 28.7 | -32.8 | 0 | 0 | 0 | 110.9 | T585 L601 Y649 | T585-P651 HydrophobicContact CG2-CG 4.09Å; L601-P651 HydrophobicContact CB-CB 4.09Å; L601-P651 HydrophobicContact CB-CG 4.24Å; L601-P651 HydrophobicContact CD1-CG 4.39Å; Y649-P651 HydrophobicContact CE1-CB 4.33Å |
| 652 | E | 73.5 | Confident | 69.5 | Low | 83 Ų | 83 | 72.9 Ų | 72.9 | 39% | 0.388 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 150.1 | 170.3 | -65.1 | -172.2 | 167.5 | 0 | 0 | 110.8 | T4 G5 L601 E654 | T4-E652 WeakPolarHBondContact CA-OE2 3.18Å; G5-E652 PolarHBondContact N-OE2 2.93Å; L601-E652 WeakPolarHBondContact CB-O 3.42Å; L601-E652 PolarHBondContact N-O 2.78Å; E652-E654 PolarHBondContact O-N 3.47Å |
| 653 | E | 75.9 | Confident | 67.9 | Low | 130 Ų | 130 | 78.8 Ų | 78.8 | 61% | 0.607 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 115.3 | 176.6 | -174.1 | 173.7 | -178.2 | 0 | 0 | 110.6 | L601 A603 | L601-E653 HydrophobicContact CD2-CB 3.87Å; L601-E653 HydrophobicContact CD2-CG 3.83Å; L601-E653 CarbonylContact O-C 3.59Å; L601-E653 WeakPolarHBondContact O-CA 3.41Å; A603-E653 WeakPolarHBondContact CB-OE1 3.39Å |
| 654 | E | 74.6 | Confident | 65.9 | Low | 39 Ų | 39 | 76.7 Ų | 76.7 | 18% | 0.182 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.9 | 170.8 | -82.7 | -77.6 | -158.9 | 0 | 0 | 110.5 | G5 S6 F600 L601 W631 E652 L656 | G5-E654 WeakPolarHBondContact CA-OE1 3.45Å; S6-E654 PolarHBondContact N-OE1 3.4Å; F600-E654 HydrophobicContact CB-CG 3.98Å; F600-E654 HydrophobicContact CD2-CB 3.91Å; F600-E654 HydrophobicContact CD2-CG 4.02Å; F600-E654 HydrophobicContact CG-CG 4.28Å; L601-E654 PolarHBondContact O-N 3.21Å; W631-E654 HydrophobicContact CZ3-CB 4.49Å; E652-E654 PolarHBondContact O-N 3.47Å; E654-L656 PolarHBondContact O-N 2.9Å |
| 655 | T | 72.4 | Confident | 63.5 | Low | 116 Ų | 116 | 81.3 Ų | 81.3 | 71% | 0.712 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 130.3 | 176.1 | 55.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 656 | L | 73.3 | Confident | 61.4 | Low | 32 Ų | 32 | 84.1 Ų | 84.1 | 17% | 0.168 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 137.6 | 174.8 | -69 | 177.1 | 0 | 0 | 0 | 110 | V602 M604 H622 Y629 W631 E654 S658 | V602-L656 HydrophobicContact CB-CD2 4.08Å; V602-L656 HydrophobicContact CG1-CD2 4.14Å; M604-L656 HydrophobicContact CE-CD1 3.77Å; H622-L656 WeakPolarHBondContact CE1-CD2 3.27Å; H622-L656 WeakPolarHBondContact NE2-CD2 2.85Å; Y629-L656 HydrophobicContact CD1-CB 4.02Å; Y629-L656 HydrophobicContact CE1-CB 3.71Å; Y629-L656 HydrophobicContact CE1-CD1 4.2Å; Y629-L656 HydrophobicContact CE1-CG 4.42Å; W631-L656 HydrophobicContact CZ2-CD2 4.19Å; E654-L656 PolarHBondContact O-N 2.9Å; L656-S658 PolarHBondContact O-N 2.86Å; L656-S658 VanDerWaalsContact O-N 3.17Å |
| 657 | P | 68.4 | Low | 59.2 | Low | 8 Ų | 8 | 87.9 Ų | 87.9 | 5% | 0.052 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 126.6 | -179.4 | -23.9 | 27.6 | 0 | 0 | 0 | 110.2 | V14 Y629 W631 | V14-P657 WeakPolarHBondContact CG2-O 3.46Å; Y629-P657 HydrophobicContact CD1-CB 4.26Å; Y629-P657 HydrophobicContact CD1-CG 4.22Å; Y629-P657 WeakPolarHBondContact CD1-O 3.34Å; Y629-P657 WeakPolarHBondContact CE1-O 3.25Å; W631-P657 HydrophobicContact CD2-CG 4.11Å; W631-P657 HydrophobicContact CE3-CG 4.24Å; W631-P657 HydrophobicContact CH2-CG 4.19Å; W631-P657 HydrophobicContact CZ2-CG 4.05Å; W631-P657 HydrophobicContact CZ3-CG 4.28Å |
| 658 | S | 58.9 | Low | 57.7 | Low | 37 Ų | 37 | 88.2 Ų | 88.2 | 26% | 0.259 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 164.5 | 168.4 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | L656 A660 | L656-S658 PolarHBondContact O-N 2.86Å; L656-S658 VanDerWaalsContact O-N 3.17Å; S658-A660 CarbonylContact O-C 3.56Å; S658-A660 PolarHBondContact O-N 2.84Å; S658-A660 PolarHBondContact OG-O 2.84Å |
| 659 | A | 54.2 | Low | 55.9 | Low | 18 Ų | 18 | 86.5 Ų | 86.5 | 15% | 0.149 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -60.3 | -22 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H46 V58 | H46-A659 VanDerWaalsContact NE2-CB 3.26Å; H46-A659 WeakPolarHBondContact NE2-CB 3.43Å; V58-A659 HydrophobicContact CG1-CB 3.44Å; V58-A659 VanDerWaalsContact CG1-CB 3.44Å; V58-A659 WeakPolarHBondContact CG1-O 3.49Å |
| 660 | A | 45.7 | Very low | 54.2 | Low | 14 Ų | 14 | 86 Ų | 86 | 12% | 0.116 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -104 | 122.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V58 S59 S658 A662 | V58-A660 HydrophobicContact CG1-CB 4.49Å; S59-A660 VanDerWaalsContact O-CB 3.28Å; S59-A660 WeakPolarHBondContact O-CB 3.07Å; S658-A660 CarbonylContact O-C 3.56Å; S658-A660 PolarHBondContact O-N 2.84Å; S658-A660 PolarHBondContact OG-O 2.84Å; A660-A662 PolarHBondContact O-N 2.82Å |
| 661 | A | 44.1 | Very low | 52.6 | Low | 41 Ų | 41 | 87.2 Ų | 87.2 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | trans | -59.2 | 118.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | F12 L663 | F12-A661 WeakPolarHBondContact O-CB 3.41Å; A661-L663 VanDerWaalsContact C-N 3.28Å; A661-L663 PolarHBondContact O-N 3.21Å | ||
| 662 | A | 38.5 | Very low | 51.3 | Low | 84 Ų | 84 | 90.1 Ų | 90.1 | 69% | 0.694 | 50% | 0.496 | S | S | * | . | trans | -60.6 | 105 | 153.7 | 0 | 0 | 0 | 0 | 0 | 105 | A660 T664 | A660-A662 PolarHBondContact O-N 2.82Å; A662-T664 PolarHBondContact O-N 2.83Å | ||
| 663 | L | 40.2 | Very low | 50.3 | Low | 147 Ų | 147 | 90.7 Ų | 90.7 | 77% | 0.77 | 51% | 0.507 | S | S | * | . | trans | -69.5 | 71.4 | 165.8 | -71.8 | 165.1 | 0 | 0 | 0 | 106.2 | A661 E665 | A661-L663 VanDerWaalsContact C-N 3.28Å; A661-L663 PolarHBondContact O-N 3.21Å; L663-E665 PolarHBondContact O-N 3.22Å | ||
| 664 | T | 37.9 | Very low | 49.2 | Very low | 110 Ų | 110 | 89.4 Ų | 89.4 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | trans | -69.3 | 98.8 | 157.2 | -15.7 | 0 | 0 | 0 | 0 | 103.4 | A662 Q666 | A662-T664 PolarHBondContact O-N 2.83Å; T664-Q666 PolarHBondContact O-N 2.87Å | ||
| 665 | E | 35 | Very low | 48.3 | Very low | 181 Ų | 181 | 93.5 Ų | 93.5 | 85% | 0.846 | 53% | 0.527 | S | S | * | . | trans | -62.3 | 75.9 | 164 | -71.5 | 179.7 | 170.4 | 0 | 0 | 106.9 | L663 E667 | L663-E665 PolarHBondContact O-N 3.22Å; E665-E667 VanDerWaalsContact C-N 3.29Å; E665-E667 PolarHBondContact O-N 3.17Å; E665-E667 VanDerWaalsContact O-N 3.12Å | ||
| 666 | Q | 39.3 | Very low | 48 | Very low | 103 Ų | 103 | 90.7 Ų | 90.7 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | trans | -70.6 | 99.8 | 157.4 | -95.1 | 176.7 | -23.1 | 0 | 0 | 104.8 | T664 V668 | T664-Q666 PolarHBondContact O-N 2.87Å; Q666-V668 PolarHBondContact O-N 2.93Å | ||
| 667 | E | 35.2 | Very low | 48.2 | Very low | 166 Ų | 166 | 97.9 Ų | 97.9 | 78% | 0.776 | 55% | 0.546 | S | S | * | . | trans | -50.4 | 108.8 | 160.3 | -73.6 | -173.5 | 156.6 | 0 | 0 | 107 | E665 T669 | E665-E667 VanDerWaalsContact C-N 3.29Å; E665-E667 PolarHBondContact O-N 3.17Å; E665-E667 VanDerWaalsContact O-N 3.12Å; E667-T669 PolarHBondContact O-N 3.42Å; E667-T669 PolarHBondContact O-OG1 2.94Å | ||
| 668 | V | 40.3 | Very low | 48.7 | Very low | 114 Ų | 114 | 105.3 Ų | 105.3 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | trans | -71.6 | 80.1 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 106.4 | Q666 S670 | Q666-V668 PolarHBondContact O-N 2.93Å; V668-S670 VanDerWaalsContact C-N 3.26Å; V668-S670 PolarHBondContact O-N 2.81Å | ||
| 669 | T | 36.5 | Very low | 49.9 | Very low | 117 Ų | 117 | 107.9 Ų | 107.9 | 72% | 0.718 | 60% | 0.598 | S | S | * | * | trans | -83.9 | 77.9 | 164.2 | 39.6 | 0 | 0 | 0 | 0 | 106.9 | E667 E671 | E667-T669 PolarHBondContact O-N 3.42Å; E667-T669 PolarHBondContact O-OG1 2.94Å; T669-E671 PolarHBondContact O-N 2.7Å | ||
| 670 | S | 41 | Very low | 51.3 | Low | 62 Ų | 62 | 109.7 Ų | 109.7 | 43% | 0.434 | 61% | 0.613 | S | S | . | * | trans | -85.6 | 96.8 | 163.2 | 42.2 | 0 | 0 | 0 | 0 | 108.5 | V668 E672 | V668-S670 VanDerWaalsContact C-N 3.26Å; V668-S670 PolarHBondContact O-N 2.81Å; S670-E672 PolarHBondContact O-N 2.89Å | ||
| 671 | E | 42.1 | Very low | 53 | Low | 193 Ų | 193 | 116.2 Ų | 116.2 | 90% | 0.902 | 64% | 0.641 | S | S | * | * | trans | -72.6 | 8 | 163.5 | -68.3 | -171.8 | 154 | 0 | 0 | 112.5 | T669 | T669-E671 PolarHBondContact O-N 2.7Š| ||
| 672 | E | 50.3 | Low | 55 | Low | 97 Ų | 97 | 115.9 Ų | 115.9 | 45% | 0.453 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -91.1 | 135.3 | -171.7 | -66.8 | -162.7 | 168.6 | 0 | 0 | 112.5 | R3 S670 | R3-E672 IonicContact NH2-OE1 2.82Å; R3-E672 IonicContact NH2-OE2 3.21Å; R3-E672 PolarHBondContact NH2-OE2 3.26Å; S670-E672 PolarHBondContact O-N 2.89Å |
| 673 | P | 51.7 | Low | 57.3 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 62% | 0.623 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 134.7 | -171.1 | 26.6 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 674 | D | 54.5 | Low | 59.5 | Low | 103 Ų | 103 | 113.1 Ų | 113.1 | 55% | 0.551 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 134.1 | 171.8 | -125.9 | -15.1 | 0 | 0 | 0 | 110.7 | A676 | D674-A676 HydrophobicContact CB-CB 4.07Å; D674-A676 PolarHBondContact O-N 3.34Å; D674-A676 VanDerWaalsContact O-N 3.07Å |
| 675 | D | 55.8 | Low | 61.5 | Low | 124 Ų | 124 | 112.1 Ų | 112.1 | 66% | 0.663 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -70 | 5.9 | 168.3 | -82.1 | -26.7 | 0 | 0 | 0 | 112 | F677 | D675-F677 PolarHBondContact O-N 2.95Š|
| 676 | A | 65.6 | Low | 63.8 | Low | 57 Ų | 57 | 112.7 Ų | 112.7 | 47% | 0.471 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -64.3 | 122.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | D674 Q678 | D674-A676 HydrophobicContact CB-CB 4.07Å; D674-A676 PolarHBondContact O-N 3.34Å; D674-A676 VanDerWaalsContact O-N 3.07Å; A676-Q678 PolarHBondContact O-N 2.63Å |
| 677 | F | 77.5 | Confident | 66 | Low | 183 Ų | 183 | 112.3 Ų | 112.3 | 80% | 0.803 | 62% | 0.619 | S | S | * | * | trans | -60.4 | 107.6 | 173.9 | 179.4 | -97.6 | 0 | 0 | 0 | 109.5 | D675 S679 | D675-F677 PolarHBondContact O-N 2.95Å; F677-S679 PolarHBondContact O-N 2.92Å | ||
| 678 | Q | 78.8 | Confident | 68.5 | Low | 165 Ų | 165 | 107 Ų | 107 | 77% | 0.771 | 60% | 0.598 | S | S | * | * | trans | -80.4 | 113.5 | 170.8 | -66.1 | -176.1 | 6.1 | 0 | 0 | 108.1 | A676 A680 | A676-Q678 PolarHBondContact O-N 2.63Å; Q678-A680 PolarHBondContact O-N 3.23Å | ||
| 679 | S | 83.1 | Confident | 70.9 | Confident | 91 Ų | 91 | 103.1 Ų | 103.1 | 64% | 0.636 | 57% | 0.574 | S | S | * | * | trans | -59.4 | 135.6 | 172.7 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | F677 | F677-S679 PolarHBondContact O-N 2.92Š| ||
| 680 | A | 84.7 | Confident | 73.4 | Confident | 56 Ų | 56 | 102.9 Ų | 102.9 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | trans | -59.9 | 147.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q678 Q682 L683 | Q678-A680 PolarHBondContact O-N 3.23Å; A680-Q682 PolarHBondContact O-N 3.33Å; A680-L683 HydrophobicContact CB-CD2 4.27Å | ||
| 681 | E | 81.8 | Confident | 75.7 | Confident | 150 Ų | 150 | 100.5 Ų | 100.5 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -61.7 | -32.6 | 177.8 | -65.2 | -175.1 | 163.3 | 0 | 0 | 112.4 | ||
| 682 | Q | 85.6 | Confident | 77.9 | Confident | 35 Ų | 35 | 99.1 Ų | 99.1 | 16% | 0.164 | 55% | 0.549 | C | S | . | . | trans | -151.8 | 129.9 | 174.4 | -175 | 174.1 | 24.8 | 0 | 0 | 109.4 | A680 G684 L687 T689 S822 | A680-Q682 PolarHBondContact O-N 3.33Å; Q682-G684 VanDerWaalsContact CG-O 3.26Å; Q682-G684 WeakPolarHBondContact CG-O 3.34Å; Q682-G684 PolarHBondContact NE2-O 2.99Å; Q682-L687 PolarHBondContact NE2-O 3.4Å; Q682-T689 HydrophobicContact CB-CG2 4.04Å; Q682-T689 HydrophobicContact CG-CG2 3.79Å; Q682-S822 PolarHBondContact NE2-O 3.35Å; Q682-S822 VanDerWaalsContact NE2-O 3.13Å | ||
| 683 | L | 87.1 | Confident | 79.6 | Confident | 144 Ų | 144 | 96 Ų | 96 | 75% | 0.754 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -80.6 | -25.6 | -177.8 | -67.3 | 172 | 0 | 0 | 0 | 113 | A680 L687 | A680-L683 HydrophobicContact CB-CD2 4.27Å; L683-L687 HydrophobicContact CB-CD1 3.95Å |
| 684 | G | 85.3 | Confident | 81.4 | Confident | 28 Ų | 28 | 95 Ų | 95 | 29% | 0.289 | 53% | 0.529 | S | S | . | . | trans | -166.1 | 150.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q682 E686 L687 | Q682-G684 VanDerWaalsContact CG-O 3.26Å; Q682-G684 WeakPolarHBondContact CG-O 3.34Å; Q682-G684 PolarHBondContact NE2-O 2.99Å; G684-E686 VanDerWaalsContact C-N 3.26Å; G684-E686 PolarHBondContact O-N 2.99Å; G684-L687 WeakPolarHBondContact O-CB 3.47Å; G684-L687 PolarHBondContact O-N 2.91Å; G684-L687 VanDerWaalsContact O-N 3.11Å | ||
| 685 | A | 81.3 | Confident | 83 | Confident | 89 Ų | 89 | 95.3 Ų | 95.3 | 74% | 0.736 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L687 | A685-L687 VanDerWaalsContact C-N 3.27Š|
| 686 | E | 82.1 | Confident | 84.5 | Confident | 193 Ų | 193 | 93.1 Ų | 93.1 | 90% | 0.902 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -13.8 | 176.2 | -61.7 | 174.9 | -177.7 | 0 | 0 | 112.6 | G684 | G684-E686 VanDerWaalsContact C-N 3.26Å; G684-E686 PolarHBondContact O-N 2.99Å |
| 687 | L | 85.3 | Confident | 85.6 | Confident | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -90.9 | 133.6 | -178.2 | -65 | 173.2 | 0 | 0 | 0 | 110.7 | Q682 L683 G684 A685 | Q682-L687 PolarHBondContact NE2-O 3.4Å; L683-L687 HydrophobicContact CB-CD1 3.95Å; G684-L687 WeakPolarHBondContact O-CB 3.47Å; G684-L687 PolarHBondContact O-N 2.91Å; G684-L687 VanDerWaalsContact O-N 3.11Å; A685-L687 VanDerWaalsContact C-N 3.27Å |
| 688 | V | 88.2 | Confident | 85.9 | Confident | 55 Ų | 55 | 88.9 Ų | 88.9 | 33% | 0.333 | 49% | 0.488 | S | S | . | . | trans | -79.3 | 122.8 | 172 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | G823 F826 L868 | V688-G823 CarbonylContact C-O 3.49Å; V688-G823 WeakPolarHBondContact CA-O 3.32Å; V688-F826 HydrophobicContact CG1-CB 3.31Å; V688-F826 HydrophobicContact CG1-CD1 3.91Å; V688-F826 HydrophobicContact CG1-CD2 3.63Å; V688-F826 HydrophobicContact CG1-CE2 4.34Å; V688-F826 HydrophobicContact CG1-CG 3.36Å; V688-L868 HydrophobicContact CB-CD1 4.4Å; V688-L868 HydrophobicContact CB-CD2 4.45Å; V688-L868 HydrophobicContact CG1-CD1 4.24Å; V688-L868 HydrophobicContact CG2-CD1 4.21Å; V688-L868 HydrophobicContact CG2-CD2 4.43Å | ||
| 689 | T | 90.6 | Very high | 86.3 | Confident | 31 Ų | 31 | 85.7 Ų | 85.7 | 19% | 0.19 | 47% | 0.471 | C | S | . | . | trans | -108 | 141.2 | 173.4 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | Q682 G823 R824 D825 F826 | Q682-T689 HydrophobicContact CB-CG2 4.04Å; Q682-T689 HydrophobicContact CG-CG2 3.79Å; T689-G823 PolarHBondContact N-O 2.85Å; T689-R824 WeakPolarHBondContact OG1-CA 3.23Å; T689-D825 PolarHBondContact O-N 2.82Å; T689-D825 VanDerWaalsContact O-N 3.08Å; T689-F826 PolarHBondContact O-N 2.9Å; T689-F826 VanDerWaalsContact O-N 3.12Å | ||
| 690 | L | 89.8 | Confident | 86.5 | Confident | 112 Ų | 112 | 83.1 Ų | 83.1 | 59% | 0.586 | 45% | 0.454 | S | S | * | . | trans | -82.8 | 159.4 | 172.4 | -57.2 | 179.7 | 0 | 0 | 0 | 109.8 | D827 | L690-D827 HydrophobicContact CD2-CB 4.11Š| ||
| 691 | S | 88.1 | Confident | 86.6 | Confident | 13 Ų | 13 | 80.8 Ų | 80.8 | 9% | 0.091 | 43% | 0.433 | C | S | . | . | trans | -65.9 | 146.2 | 175.2 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | M693 D825 D827 L828 | S691-M693 PolarHBondContact O-N 3.29Å; S691-D825 VanDerWaalsContact CA-OD1 3.31Å; S691-D825 WeakPolarHBondContact CA-OD1 3.41Å; S691-D825 WeakPolarHBondContact CB-OD1 3.49Å; S691-D827 WeakPolarHBondContact CB-OD1 3.07Å; S691-D827 PolarHBondContact N-OD1 2.81Å; S691-D827 PolarHBondContact OG-OD1 3.18Å; S691-D827 PolarHBondContact OG-OD2 3.49Å; S691-L828 WeakPolarHBondContact OG-CG 3.35Å | ||
| 692 | L | 87.9 | Confident | 86.7 | Confident | 163 Ų | 163 | 76.4 Ų | 76.4 | 85% | 0.853 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -73 | 2.6 | 169.9 | -62.6 | 176.3 | 0 | 0 | 0 | 112.5 | ||
| 693 | M | 86.6 | Confident | 86.8 | Confident | 33 Ų | 33 | 80.5 Ų | 80.5 | 16% | 0.163 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -80.2 | 149 | 178.5 | -70.7 | -145.9 | -76.8 | 0 | 0 | 111.3 | S691 E695 K784 L828 | S691-M693 PolarHBondContact O-N 3.29Å; M693-E695 PolarHBondContact O-N 3.21Å; M693-K784 HydrophobicContact CE-CB 4.28Å; M693-K784 HydrophobicContact CE-CG 4.02Å; M693-K784 HydrophobicContact SD-CB 4.27Å; M693-L828 HydrophobicContact CE-CD1 3.3Å; M693-L828 HydrophobicContact CE-CD2 3.5Å; M693-L828 HydrophobicContact CE-CG 4.06Å |
| 694 | P | 89.5 | Confident | 86.7 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | trans | -59.1 | 133 | 174.6 | -22.3 | 32 | 0 | 0 | 0 | 111.4 | S696 R697 | P694-S696 PolarHBondContact O-N 3.1Å; P694-R697 WeakPolarHBondContact O-CB 3.44Å; P694-R697 PolarHBondContact O-N 3.28Å | ||
| 695 | E | 88.6 | Confident | 86.7 | Confident | 109 Ų | 109 | 76.7 Ų | 76.7 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -53.9 | -31 | -179.3 | -64.5 | -170.9 | 171.9 | 0 | 0 | 113.6 | M693 R697 W698 K699 | M693-E695 PolarHBondContact O-N 3.21Å; E695-R697 PolarHBondContact O-N 2.97Å; E695-W698 HydrophobicContact CB-CZ2 4.14Å; E695-W698 HydrophobicContact CG-CZ2 4.14Å; E695-W698 PolarHBondContact O-N 2.96Å; E695-K699 HydrophobicContact CB-CD 4.39Å; E695-K699 WeakPolarHBondContact O-CB 3.39Å; E695-K699 WeakPolarHBondContact O-CG 3.37Å; E695-K699 PolarHBondContact O-N 2.79Å; E695-K699 VanDerWaalsContact O-N 3.1Å; E695-K699 IonicContact OE2-NZ 2.75Å; E695-K699 PolarHBondContact OE2-NZ 3.41Å |
| 696 | S | 88.2 | Confident | 87 | Confident | 77 Ų | 77 | 75.1 Ų | 75.1 | 54% | 0.538 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -30.6 | 178.5 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | P694 S700 | P694-S696 PolarHBondContact O-N 3.1Å; S696-S700 WeakPolarHBondContact O-CB 3.44Å; S696-S700 PolarHBondContact O-N 2.86Å; S696-S700 PolarHBondContact O-OG 3.44Å |
| 697 | R | 87.4 | Confident | 87.3 | Confident | 105 Ų | 105 | 68.1 Ų | 68.1 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -51.9 | -178.9 | -75.6 | -167 | 173.1 | -161.6 | -0.2 | 111.2 | P694 E695 | P694-R697 WeakPolarHBondContact O-CB 3.44Å; P694-R697 PolarHBondContact O-N 3.28Å; E695-R697 PolarHBondContact O-N 2.97Å |
| 698 | W | 84.8 | Confident | 87.4 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 17% | 0.174 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -83.6 | -32.5 | -175.1 | 59.8 | -106.8 | 0 | 0 | 0 | 113.5 | E695 S700 L701 D827 L828 A831 | E695-W698 HydrophobicContact CB-CZ2 4.14Å; E695-W698 HydrophobicContact CG-CZ2 4.14Å; E695-W698 PolarHBondContact O-N 2.96Å; W698-S700 PolarHBondContact O-N 3.15Å; W698-L701 HydrophobicContact CB-CD1 4.21Å; W698-L701 VanDerWaalsContact O-CB 3.3Å; W698-L701 WeakPolarHBondContact O-CB 3.36Å; W698-L701 PolarHBondContact O-N 2.92Å; W698-L701 VanDerWaalsContact O-N 3.11Å; W698-D827 HydrophobicContact CH2-CB 4.49Å; W698-D827 HydrophobicContact CZ2-CB 4.03Å; W698-D827 PolarHBondContact NE1-OD2 3.39Å; W698-L828 HydrophobicContact CB-CD2 3.58Å; W698-L828 HydrophobicContact CG-CD2 3.9Å; W698-A831 HydrophobicContact CB-CB 3.83Å; W698-A831 HydrophobicContact CE3-CB 4.17Å |
| 699 | K | 86.5 | Confident | 87.3 | Confident | 98 Ų | 98 | 74.1 Ų | 74.1 | 43% | 0.426 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.9 | -34.7 | 170.4 | -71.7 | 178.5 | 178.4 | 168.9 | 0 | 111.9 | E695 L701 | E695-K699 HydrophobicContact CB-CD 4.39Å; E695-K699 WeakPolarHBondContact O-CB 3.39Å; E695-K699 WeakPolarHBondContact O-CG 3.37Å; E695-K699 PolarHBondContact O-N 2.79Å; E695-K699 VanDerWaalsContact O-N 3.1Å; E695-K699 IonicContact OE2-NZ 2.75Å; E695-K699 PolarHBondContact OE2-NZ 3.41Å; K699-L701 VanDerWaalsContact C-N 3.3Å; K699-L701 PolarHBondContact O-N 3.42Å |
| 700 | S | 87.1 | Confident | 87.2 | Confident | 38 Ų | 38 | 81.7 Ų | 81.7 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -70.2 | -23.2 | 177.1 | -63.4 | 0 | 0 | 0 | 0 | 113.4 | S696 W698 L702 H703 L704 | S696-S700 WeakPolarHBondContact O-CB 3.44Å; S696-S700 PolarHBondContact O-N 2.86Å; S696-S700 PolarHBondContact O-OG 3.44Å; W698-S700 PolarHBondContact O-N 3.15Å; S700-L702 VanDerWaalsContact C-N 3.34Å; S700-L702 PolarHBondContact O-N 3.03Å; S700-H703 CarbonylContact O-C 3.55Å; S700-H703 PolarHBondContact O-N 2.94Å; S700-L704 VanDerWaalsContact O-CA 3.31Å; S700-L704 WeakPolarHBondContact O-CA 3.25Å; S700-L704 WeakPolarHBondContact O-CB 3.06Å; S700-L704 PolarHBondContact O-N 2.84Å |
| 701 | L | 86.9 | Confident | 87.2 | Confident | 6 Ų | 6 | 81.3 Ų | 81.3 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | -179.3 | -71.6 | 170.8 | 0 | 0 | 0 | 111.8 | W698 K699 H703 P788 V791 A831 Y832 L835 | W698-L701 HydrophobicContact CB-CD1 4.21Å; W698-L701 VanDerWaalsContact O-CB 3.3Å; W698-L701 WeakPolarHBondContact O-CB 3.36Å; W698-L701 PolarHBondContact O-N 2.92Å; W698-L701 VanDerWaalsContact O-N 3.11Å; K699-L701 VanDerWaalsContact C-N 3.3Å; K699-L701 PolarHBondContact O-N 3.42Å; L701-H703 VanDerWaalsContact C-N 3.34Å; L701-H703 PolarHBondContact O-N 3.26Å; L701-P788 HydrophobicContact CD2-CB 3.81Å; L701-P788 WeakPolarHBondContact CD2-O 3.39Å; L701-P788 HydrophobicContact CG-CB 4.48Å; L701-V791 HydrophobicContact CD1-CG1 4.39Å; L701-V791 HydrophobicContact CD2-CB 3.92Å; L701-V791 HydrophobicContact CD2-CG1 3.9Å; L701-A831 HydrophobicContact CD1-CB 4.48Å; L701-Y832 HydrophobicContact CD1-CD1 3.9Å; L701-Y832 HydrophobicContact CD1-CE1 3.79Å; L701-L835 HydrophobicContact CB-CD2 4.12Å; L701-L835 HydrophobicContact CD2-CD2 4.05Å |
| 702 | L | 83.9 | Confident | 87.2 | Confident | 58 Ų | 58 | 89.4 Ų | 89.4 | 30% | 0.304 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.2 | -35 | -177.8 | -69.7 | 167.4 | 0 | 0 | 0 | 112.9 | S700 A834 K838 | S700-L702 VanDerWaalsContact C-N 3.34Å; S700-L702 PolarHBondContact O-N 3.03Å; L702-A834 HydrophobicContact CD2-CB 3.65Å; L702-K838 PolarHBondContact O-NZ 3.2Å; L702-K838 VanDerWaalsContact O-NZ 3.07Å |
| 703 | H | 87.1 | Confident | 87.1 | Confident | 121 Ų | 121 | 86 Ų | 86 | 56% | 0.56 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 12.6 | -175.2 | -58.6 | -62.1 | 0 | 0 | 0 | 113.7 | S700 L701 D705 A706 I707 | S700-H703 CarbonylContact O-C 3.55Å; S700-H703 PolarHBondContact O-N 2.94Å; L701-H703 VanDerWaalsContact C-N 3.34Å; L701-H703 PolarHBondContact O-N 3.26Å; H703-D705 VanDerWaalsContact C-N 3.25Å; H703-D705 PolarHBondContact O-N 3.47Å; H703-A706 WeakPolarHBondContact O-CB 3.02Å; H703-A706 PolarHBondContact O-N 2.72Å; H703-I707 HydrophobicContact CB-CD1 4.21Å; H703-I707 HydrophobicContact CB-CG1 4.46Å; H703-I707 WeakPolarHBondContact O-CG1 3.11Å; H703-I707 PolarHBondContact O-N 3.31Å |
| 704 | L | 86.3 | Confident | 86.9 | Confident | 17 Ų | 17 | 93.4 Ų | 93.4 | 9% | 0.089 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -56.6 | -38.2 | -172.2 | -167.3 | 123.6 | 0 | 0 | 0 | 112.7 | S700 I707 K708 P788 | S700-L704 VanDerWaalsContact O-CA 3.31Å; S700-L704 WeakPolarHBondContact O-CA 3.25Å; S700-L704 WeakPolarHBondContact O-CB 3.06Å; S700-L704 PolarHBondContact O-N 2.84Å; L704-I707 PolarHBondContact O-N 3.39Å; L704-K708 HydrophobicContact CD2-CD 3.79Å; L704-K708 HydrophobicContact CD2-CG 4.48Å; L704-K708 VanDerWaalsContact CD2-NZ 3.27Å; L704-K708 HydrophobicContact CG-CD 4.49Å; L704-K708 WeakPolarHBondContact O-CB 3.18Å; L704-K708 VanDerWaalsContact O-CG 3.32Å; L704-K708 WeakPolarHBondContact O-CG 3.1Å; L704-K708 PolarHBondContact O-N 2.93Å; L704-P788 HydrophobicContact CD1-CB 3.68Å |
| 705 | D | 84.4 | Confident | 86.7 | Confident | 75 Ų | 75 | 93.3 Ų | 93.3 | 40% | 0.401 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 177.5 | -55.3 | -46 | 0 | 0 | 0 | 112.4 | H703 K708 R709 K838 | H703-D705 VanDerWaalsContact C-N 3.25Å; H703-D705 PolarHBondContact O-N 3.47Å; D705-K708 PolarHBondContact O-N 3.33Å; D705-R709 WeakPolarHBondContact O-CB 3.49Å; D705-R709 VanDerWaalsContact O-CG 3.25Å; D705-R709 WeakPolarHBondContact O-CG 3.36Å; D705-R709 PolarHBondContact O-N 3.06Å; D705-K838 IonicContact OD2-NZ 3.87Å; D705-K838 PolarHBondContact OD2-NZ 3.29Å; D705-K838 VanDerWaalsContact OD2-NZ 3.09Å |
| 706 | A | 88.3 | Confident | 86.4 | Confident | 56 Ų | 56 | 93.5 Ų | 93.5 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | H703 R709 R710 | H703-A706 WeakPolarHBondContact O-CB 3.02Å; H703-A706 PolarHBondContact O-N 2.72Å; A706-R709 PolarHBondContact O-N 3.09Å; A706-R710 WeakPolarHBondContact O-CB 3.44Å; A706-R710 PolarHBondContact O-N 3.36Å |
| 707 | I | 87.8 | Confident | 86 | Confident | 46 Ų | 46 | 95.1 Ų | 95.1 | 24% | 0.236 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.5 | -47 | 175.3 | -64.4 | 165.9 | 0 | 0 | 0 | 110.2 | H703 L704 R709 R710 N711 | H703-I707 HydrophobicContact CB-CD1 4.21Å; H703-I707 HydrophobicContact CB-CG1 4.46Å; H703-I707 WeakPolarHBondContact O-CG1 3.11Å; H703-I707 PolarHBondContact O-N 3.31Å; L704-I707 PolarHBondContact O-N 3.39Å; I707-R709 PolarHBondContact O-N 3.13Å; I707-R710 PolarHBondContact O-N 2.86Å; I707-N711 VanDerWaalsContact O-CB 3.31Å; I707-N711 WeakPolarHBondContact O-CB 3Å; I707-N711 PolarHBondContact O-N 3.34Å; I707-N711 PolarHBondContact O-OD1 2.96Å |
| 708 | K | 86.8 | Confident | 85.6 | Confident | 100 Ų | 100 | 95.2 Ų | 95.2 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 175.6 | -79.5 | 178.6 | 175.8 | 172.9 | 0 | 111.5 | L704 D705 N711 R712 | L704-K708 HydrophobicContact CD2-CD 3.79Å; L704-K708 HydrophobicContact CD2-CG 4.48Å; L704-K708 VanDerWaalsContact CD2-NZ 3.27Å; L704-K708 HydrophobicContact CG-CD 4.49Å; L704-K708 WeakPolarHBondContact O-CB 3.18Å; L704-K708 VanDerWaalsContact O-CG 3.32Å; L704-K708 WeakPolarHBondContact O-CG 3.1Å; L704-K708 PolarHBondContact O-N 2.93Å; D705-K708 PolarHBondContact O-N 3.33Å; K708-N711 PolarHBondContact O-N 3.04Å; K708-R712 WeakPolarHBondContact O-CG 3.41Å; K708-R712 PolarHBondContact O-N 2.8Å; K708-R712 VanDerWaalsContact O-N 3.11Å |
| 709 | R | 86.5 | Confident | 85.1 | Confident | 177 Ų | 177 | 96.9 Ų | 96.9 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 177.3 | -74.8 | 174.6 | -166 | 154.9 | 5 | 112.3 | D705 A706 I707 N711 R712 | D705-R709 WeakPolarHBondContact O-CB 3.49Å; D705-R709 VanDerWaalsContact O-CG 3.25Å; D705-R709 WeakPolarHBondContact O-CG 3.36Å; D705-R709 PolarHBondContact O-N 3.06Å; A706-R709 PolarHBondContact O-N 3.09Å; I707-R709 PolarHBondContact O-N 3.13Å; R709-N711 VanDerWaalsContact C-N 3.31Å; R709-N711 PolarHBondContact O-N 2.85Å; R709-R712 PolarHBondContact O-N 2.84Å |
| 710 | R | 89.8 | Confident | 84.8 | Confident | 190 Ų | 190 | 96 Ų | 96 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.8 | -39.5 | 175.6 | -176 | -172.6 | 69.1 | -176.2 | 0.2 | 112 | A706 I707 R712 | A706-R710 WeakPolarHBondContact O-CB 3.44Å; A706-R710 PolarHBondContact O-N 3.36Å; I707-R710 PolarHBondContact O-N 2.86Å; R710-R712 VanDerWaalsContact C-N 3.3Å; R710-R712 PolarHBondContact O-N 3.37Å |
| 711 | N | 88.9 | Confident | 84.1 | Confident | 105 Ų | 105 | 101.2 Ų | 101.2 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -4.9 | -177.2 | -65.2 | -1.5 | 0 | 0 | 0 | 113.3 | I707 K708 R709 | I707-N711 VanDerWaalsContact O-CB 3.31Å; I707-N711 WeakPolarHBondContact O-CB 3Å; I707-N711 PolarHBondContact O-N 3.34Å; I707-N711 PolarHBondContact O-OD1 2.96Å; K708-N711 PolarHBondContact O-N 3.04Å; R709-N711 VanDerWaalsContact C-N 3.31Å; R709-N711 PolarHBondContact O-N 2.85Å |
| 712 | R | 87.8 | Confident | 83.5 | Confident | 183 Ų | 183 | 105.9 Ų | 105.9 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -66.5 | 135.4 | 172.7 | -80.3 | 174.1 | -175 | -165.9 | -0.8 | 109.1 | K708 R709 R710 | K708-R712 WeakPolarHBondContact O-CG 3.41Å; K708-R712 PolarHBondContact O-N 2.8Å; K708-R712 VanDerWaalsContact O-N 3.11Å; R709-R712 PolarHBondContact O-N 2.84Å; R710-R712 VanDerWaalsContact C-N 3.3Å; R710-R712 PolarHBondContact O-N 3.37Å |
| 713 | P | 86.3 | Confident | 82.9 | Confident | 90 Ų | 90 | 105.9 Ų | 105.9 | 58% | 0.584 | 60% | 0.604 | S | S | * | * | trans | -63.9 | 144.5 | 178.1 | 28.9 | -35.3 | 0 | 0 | 0 | 110.5 | A715 | P713-A715 VanDerWaalsContact C-N 3.26Å; P713-A715 WeakPolarHBondContact CB-O 3.4Å; P713-A715 PolarHBondContact O-N 2.79Å | ||
| 714 | L | 83.1 | Confident | 82.4 | Confident | 190 Ų | 190 | 104 Ų | 104 | 100% | 0.995 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -62.5 | -32.9 | -179.4 | -72.4 | 168.6 | 0 | 0 | 0 | 112.6 | ||
| 715 | A | 85.2 | Confident | 81.8 | Confident | 72 Ų | 72 | 111.9 Ų | 111.9 | 60% | 0.595 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -113.9 | 132.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | P713 | P713-A715 VanDerWaalsContact C-N 3.26Å; P713-A715 WeakPolarHBondContact CB-O 3.4Å; P713-A715 PolarHBondContact O-N 2.79Å |
| 716 | P | 80.8 | Confident | 81.4 | Confident | 114 Ų | 114 | 116.4 Ų | 116.4 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | trans | -61.8 | 142 | 174.8 | 26.8 | -33 | 0 | 0 | 0 | 109.8 | A718 | P716-A718 PolarHBondContact O-N 3.43Š| ||
| 717 | P | 80.6 | Confident | 80.6 | Confident | 110 Ų | 110 | 118.4 Ų | 118.4 | 71% | 0.714 | 66% | 0.655 | S | S | * | * | trans | -60.4 | 138 | 175.7 | 25.1 | -32.5 | 0 | 0 | 0 | 110.1 | A719 | P717-A719 PolarHBondContact O-N 2.83Š| ||
| 718 | A | 78.8 | Confident | 79.9 | Confident | 107 Ų | 107 | 119.6 Ų | 119.6 | 88% | 0.884 | 67% | 0.666 | S | S | * | * | trans | -67.9 | 96.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | P716 | P716-A718 PolarHBondContact O-N 3.43Š| ||
| 719 | A | 74.5 | Confident | 79.1 | Confident | 81 Ų | 81 | 118.9 Ų | 118.9 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | trans | -69.8 | 135.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | P717 | P717-A719 PolarHBondContact O-N 2.83Š| ||
| 720 | P | 79.8 | Confident | 77.9 | Confident | 81 Ų | 81 | 117.9 Ų | 117.9 | 53% | 0.526 | 67% | 0.667 | S | S | . | * | trans | -63.9 | 148.7 | 175.3 | 27.1 | -33.5 | 0 | 0 | 0 | 110.6 | S722 A723 | P720-S722 PolarHBondContact O-N 3.28Å; P720-S722 VanDerWaalsContact O-N 3.13Å; P720-A723 HydrophobicContact CG-CB 4.32Å; P720-A723 PolarHBondContact O-N 3.05Å | ||
| 721 | P | 72.3 | Confident | 75.8 | Confident | 146 Ų | 146 | 115.3 Ų | 115.3 | 95% | 0.948 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -20.7 | -176 | 24.6 | -33.9 | 0 | 0 | 0 | 113.7 | ||
| 722 | S | 75.3 | Confident | 74.1 | Confident | 104 Ų | 104 | 113 Ų | 113 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 53.8 | 175 | 66.8 | 0 | 0 | 0 | 0 | 111.5 | P720 | P720-S722 PolarHBondContact O-N 3.28Å; P720-S722 VanDerWaalsContact O-N 3.13Å |
| 723 | A | 70.3 | Confident | 72 | Confident | 59 Ų | 59 | 113.3 Ų | 113.3 | 49% | 0.488 | 69% | 0.69 | S | S | . | * | trans | -65.8 | 131.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | P720 F725 | P720-A723 HydrophobicContact CG-CB 4.32Å; P720-A723 PolarHBondContact O-N 3.05Å; A723-F725 PolarHBondContact O-N 3.15Å | ||
| 724 | P | 76.3 | Confident | 70.3 | Confident | 80 Ų | 80 | 113.4 Ų | 113.4 | 52% | 0.519 | 69% | 0.689 | S | S | . | * | trans | -62.7 | 132.2 | 175.2 | 26.5 | -33.3 | 0 | 0 | 0 | 109.7 | F726 L727 | P724-F726 VanDerWaalsContact C-N 3.27Å; P724-F726 PolarHBondContact O-N 3.23Å; P724-L727 HydrophobicContact CG-CD2 4.3Å | ||
| 725 | F | 74.9 | Confident | 69.1 | Low | 184 Ų | 184 | 109.4 Ų | 109.4 | 81% | 0.807 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -61.7 | -36.2 | -179 | -175.9 | -93.4 | 0 | 0 | 0 | 112.1 | A723 | A723-F725 PolarHBondContact O-N 3.15Š|
| 726 | F | 75.9 | Confident | 67.8 | Low | 169 Ų | 169 | 111.7 Ų | 111.7 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -108.1 | 112.7 | 171.4 | -60.4 | -69.9 | 0 | 0 | 0 | 109.6 | P724 | P724-F726 VanDerWaalsContact C-N 3.27Å; P724-F726 PolarHBondContact O-N 3.23Å |
| 727 | L | 71.6 | Confident | 67 | Low | 98 Ų | 98 | 113 Ų | 113 | 51% | 0.513 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 131.2 | 172.5 | -72.2 | 166.6 | 0 | 0 | 0 | 109.3 | P724 T729 F737 | P724-L727 HydrophobicContact CG-CD2 4.3Å; L727-T729 PolarHBondContact O-N 3.03Å; L727-F737 HydrophobicContact CB-CD1 3.58Å; L727-F737 HydrophobicContact CB-CE1 4.01Å; L727-F737 HydrophobicContact CB-CG 4.44Å; L727-F737 HydrophobicContact CD1-CD1 4.26Å |
| 728 | P | 72.3 | Confident | 65.9 | Low | 72 Ų | 72 | 108.8 Ų | 108.8 | 47% | 0.468 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 132.8 | 178.2 | 23.3 | -30.8 | 0 | 0 | 0 | 110 | A738 | P728-A738 HydrophobicContact CB-CB 4.31Å; P728-A738 HydrophobicContact CG-CB 4.16Å; P728-A738 WeakPolarHBondContact O-CB 3.43Å; P728-A738 PolarHBondContact O-N 2.83Å |
| 729 | T | 70.1 | Confident | 64.8 | Low | 85 Ų | 85 | 110.7 Ų | 110.7 | 52% | 0.521 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 140.9 | 175.4 | 49.5 | 0 | 0 | 0 | 0 | 109.9 | L727 Q736 F737 | L727-T729 PolarHBondContact O-N 3.03Å; T729-Q736 WeakPolarHBondContact CA-O 3.39Å; T729-F737 HydrophobicContact CG2-CD1 3.81Å; T729-F737 HydrophobicContact CG2-CE1 3.88Å |
| 730 | R | 61.8 | Low | 63.6 | Low | 156 Ų | 156 | 112.5 Ų | 112.5 | 59% | 0.589 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 128.5 | 168.4 | -67.6 | -173.2 | 174.3 | -179.3 | -2.1 | 108.4 | G732 Q736 A738 | R730-G732 PolarHBondContact O-N 3.09Å; R730-Q736 PolarHBondContact N-O 3.05Å; R730-A738 HydrophobicContact CG-CB 3.98Å |
| 731 | P | 45.2 | Very low | 61.9 | Low | 136 Ų | 136 | 113.1 Ų | 113.1 | 88% | 0.883 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 123.4 | 170.7 | 26 | -30.5 | 0 | 0 | 0 | 109.1 | ||
| 732 | G | 52.4 | Low | 60.5 | Low | 55 Ų | 55 | 113.2 Ų | 113.2 | 57% | 0.567 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -171.6 | 168.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R730 T734 | R730-G732 PolarHBondContact O-N 3.09Å; G732-T734 PolarHBondContact O-N 3.22Å; G732-T734 VanDerWaalsContact O-N 3.09Å |
| 733 | L | 43.6 | Very low | 58.8 | Low | 191 Ų | 191 | 113.3 Ų | 113.3 | 100% | 1 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -56.5 | -24.4 | -179.2 | -98.5 | 145.7 | 0 | 0 | 0 | 113.8 | ||
| 734 | T | 51.3 | Low | 57.6 | Low | 92 Ų | 92 | 120.8 Ų | 120.8 | 56% | 0.564 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -125.1 | 128.3 | 163.5 | 48.8 | 0 | 0 | 0 | 0 | 108.2 | G732 Q736 | G732-T734 PolarHBondContact O-N 3.22Å; G732-T734 VanDerWaalsContact O-N 3.09Å; T734-Q736 PolarHBondContact O-N 2.83Å |
| 735 | P | 57.2 | Low | 55.8 | Low | 106 Ų | 106 | 125.5 Ų | 125.5 | 69% | 0.688 | 68% | 0.678 | S | S | * | * | trans | -66.5 | 108.9 | -179.8 | 25.5 | -32.1 | 0 | 0 | 0 | 109.3 | ||||
| 736 | Q | 58.1 | Low | 54.4 | Low | 120 Ų | 120 | 124.9 Ų | 124.9 | 56% | 0.561 | 68% | 0.683 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 134 | 174.4 | -66.5 | -178.2 | 9.6 | 0 | 0 | 109.4 | T729 R730 T734 A738 | T729-Q736 WeakPolarHBondContact CA-O 3.39Å; R730-Q736 PolarHBondContact N-O 3.05Å; T734-Q736 PolarHBondContact O-N 2.83Å; Q736-A738 PolarHBondContact O-N 2.79Å |
| 737 | F | 64.7 | Low | 52.8 | Low | 140 Ų | 140 | 122.4 Ų | 122.4 | 61% | 0.614 | 69% | 0.686 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.9 | 130.1 | 172.4 | -65.3 | -71.9 | 0 | 0 | 0 | 109.8 | L727 T729 | L727-F737 HydrophobicContact CB-CD1 3.58Å; L727-F737 HydrophobicContact CB-CE1 4.01Å; L727-F737 HydrophobicContact CB-CG 4.44Å; L727-F737 HydrophobicContact CD1-CD1 4.26Å; T729-F737 HydrophobicContact CG2-CD1 3.81Å; T729-F737 HydrophobicContact CG2-CE1 3.88Å |
| 738 | A | 57.7 | Low | 51.2 | Low | 22 Ų | 22 | 126.5 Ų | 126.5 | 18% | 0.182 | 70% | 0.703 | C | S | . | * | P | Polyproline II helix | trans | -70.5 | 131.5 | 173 | 0 | 0 | 0 | 0 | 0 | 109.3 | P728 R730 Q736 | P728-A738 HydrophobicContact CB-CB 4.31Å; P728-A738 HydrophobicContact CG-CB 4.16Å; P728-A738 WeakPolarHBondContact O-CB 3.43Å; P728-A738 PolarHBondContact O-N 2.83Å; R730-A738 HydrophobicContact CG-CB 3.98Å; Q736-A738 PolarHBondContact O-N 2.79Å |
| 739 | L | 55.5 | Low | 49.8 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -60 | 141.3 | 168.9 | -75.3 | 152.2 | 0 | 0 | 0 | 109.3 | S741 | L739-S741 PolarHBondContact O-N 3.33Š|
| 740 | P | 48.4 | Very low | 48.8 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -65.3 | 104.7 | -178 | 24.9 | -31.3 | 0 | 0 | 0 | 110.1 | ||||
| 741 | S | 44.7 | Very low | 48.1 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | -76.9 | 130.3 | 164.6 | 50.8 | 0 | 0 | 0 | 0 | 108.7 | L739 T743 | L739-S741 PolarHBondContact O-N 3.33Å; S741-T743 PolarHBondContact O-N 2.7Å | ||
| 742 | T | 42.2 | Very low | 48.3 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 91% | 0.908 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -73.6 | 60.1 | -179.2 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 743 | T | 40.3 | Very low | 47.9 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | -138 | 110.8 | 172.4 | 42.7 | 0 | 0 | 0 | 0 | 108.6 | S741 E745 | S741-T743 PolarHBondContact O-N 2.7Å; T743-E745 PolarHBondContact O-N 3.38Å | ||
| 744 | K | 45.6 | Very low | 48.1 | Very low | 216 Ų | 216 | 136.7 Ų | 136.7 | 94% | 0.939 | 73% | 0.734 | S | S | * | * | trans | -66.2 | 109.1 | 172.1 | -71 | 178.8 | 175.5 | -178.8 | 0 | 108.4 | ||||
| 745 | E | 38.3 | Very low | 48 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -127.2 | 123.4 | 156.7 | -76 | -170.5 | 166.9 | 0 | 0 | 108.8 | T743 S747 | T743-E745 PolarHBondContact O-N 3.38Å; E745-S747 PolarHBondContact O-N 3.03Å | ||
| 746 | D | 46.1 | Very low | 47.6 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 92% | 0.92 | 73% | 0.727 | S | S | * | * | trans | -60.3 | 113 | 175.8 | -77.4 | -37.9 | 0 | 0 | 0 | 109.9 | ||||
| 747 | S | 40.7 | Very low | 47.3 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | trans | -111.1 | 107.4 | 167.1 | 48.8 | 0 | 0 | 0 | 0 | 109.5 | E745 | E745-S747 PolarHBondContact O-N 3.03Š| ||
| 748 | Q | 39.3 | Very low | 46.8 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -56.1 | 136.7 | 173.8 | -68 | 176.8 | -20.3 | 0 | 0 | 110.7 | K750 | Q748-K750 PolarHBondContact O-N 3.24Å; Q748-K750 VanDerWaalsContact O-N 3.12Å | ||
| 749 | S | 43.3 | Very low | 47 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -61.4 | 108.1 | 176.3 | 42.5 | 0 | 0 | 0 | 0 | 111.2 | V751 | S749-V751 PolarHBondContact O-N 2.99Å; S749-V751 VanDerWaalsContact O-N 3.13Å | ||
| 750 | K | 49.3 | Very low | 47.6 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | trans | -71.4 | 103.8 | 162.9 | -79.9 | -177.6 | 177.2 | 178.2 | 0 | 108.3 | Q748 L752 | Q748-K750 PolarHBondContact O-N 3.24Å; Q748-K750 VanDerWaalsContact O-N 3.12Å; K750-L752 PolarHBondContact O-N 3.47Å; K750-L752 VanDerWaalsContact O-N 3.13Å | ||
| 751 | V | 46.4 | Very low | 49.1 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -62.1 | 110.8 | 168.3 | 178.3 | 0 | 0 | 0 | 0 | 107.7 | S749 | S749-V751 PolarHBondContact O-N 2.99Å; S749-V751 VanDerWaalsContact O-N 3.13Å | ||
| 752 | L | 48.9 | Very low | 50.9 | Low | 133 Ų | 133 | 137.8 Ų | 137.8 | 70% | 0.696 | 73% | 0.732 | S | S | * | * | trans | -72.8 | 132.4 | 171.9 | -76.8 | 160.3 | 0 | 0 | 0 | 109 | K750 W754 | K750-L752 PolarHBondContact O-N 3.47Å; K750-L752 VanDerWaalsContact O-N 3.13Å; L752-W754 PolarHBondContact O-N 2.89Å | ||
| 753 | P | 44.4 | Very low | 53.1 | Low | 96 Ų | 96 | 131 Ų | 131 | 62% | 0.623 | 69% | 0.69 | S | S | * | * | trans | -64.6 | 134.3 | 175.2 | 24.3 | -30 | 0 | 0 | 0 | 110.3 | G755 S756 | P753-G755 PolarHBondContact O-N 2.95Å; P753-S756 PolarHBondContact O-N 2.75Å | ||
| 754 | W | 46.7 | Very low | 55.2 | Low | 231 Ų | 231 | 126.4 Ų | 126.4 | 88% | 0.875 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -55.9 | -20.8 | -170 | -138.9 | -31.5 | 0 | 0 | 0 | 114.6 | L752 S756 | L752-W754 PolarHBondContact O-N 2.89Å; W754-S756 VanDerWaalsContact C-N 3.31Å; W754-S756 PolarHBondContact O-N 3.28Å |
| 755 | G | 49.8 | Very low | 57.1 | Low | 67 Ų | 67 | 119.1 Ų | 119.1 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -73.5 | -9.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P753 | P753-G755 PolarHBondContact O-N 2.95Š|
| 756 | S | 49.2 | Very low | 59.4 | Low | 59 Ų | 59 | 111.6 Ų | 111.6 | 41% | 0.413 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -88.6 | -6.8 | 177.6 | -172.2 | 0 | 0 | 0 | 0 | 114 | P753 W754 | P753-S756 PolarHBondContact O-N 2.75Å; W754-S756 VanDerWaalsContact C-N 3.31Å; W754-S756 PolarHBondContact O-N 3.28Å |
| 757 | L | 52.1 | Low | 61.4 | Low | 133 Ų | 133 | 103.4 Ų | 103.4 | 70% | 0.696 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -85.6 | -5.5 | -176.4 | -83.7 | 152 | 0 | 0 | 0 | 113.9 | ||
| 758 | T | 52.9 | Low | 63.6 | Low | 122 Ų | 122 | 100.1 Ų | 100.1 | 75% | 0.748 | 53% | 0.533 | S | S | * | . | trans | -104.4 | 45.4 | 174.9 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 759 | Q | 62.9 | Low | 65.8 | Low | 165 Ų | 165 | 96.3 Ų | 96.3 | 77% | 0.771 | 52% | 0.518 | S | S | * | . | trans | -87.6 | 113 | 166.8 | -75.6 | -174 | -15.1 | 0 | 0 | 108.5 | ||||
| 760 | R | 68.9 | Low | 67.9 | Low | 122 Ų | 122 | 91.1 Ų | 91.1 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | trans | -62.8 | 150.2 | 169.4 | -70.8 | -178.9 | 173 | 177.5 | -8.5 | 109.4 | A764 V765 E768 | R760-A764 HydrophobicContact CB-CB 4.49Å; R760-V765 HydrophobicContact CB-CG2 3.85Å; R760-E768 IonicContact CZ-OE1 3.52Å; R760-E768 IonicContact CZ-OE2 3.73Å; R760-E768 IonicContact NH1-OE1 2.83Å; R760-E768 PolarHBondContact NH1-OE1 2.62Å; R760-E768 IonicContact NH1-OE2 3.96Å; R760-E768 PolarHBondContact NH1-OE2 2.9Å; R760-E768 IonicContact NH2-OE1 3.6Å | ||
| 761 | S | 79.7 | Confident | 69.5 | Low | 35 Ų | 35 | 84.1 Ų | 84.1 | 25% | 0.245 | 45% | 0.453 | C | S | . | . | trans | -63.1 | 151.4 | 176 | 69.9 | 0 | 0 | 0 | 0 | 110.8 | F763 A764 V765 E794 | S761-F763 PolarHBondContact O-N 3.32Å; S761-A764 PolarHBondContact O-N 3.34Å; S761-A764 VanDerWaalsContact O-N 3.07Å; S761-A764 WeakPolarHBondContact OG-CB 3.42Å; S761-A764 PolarHBondContact OG-N 3.43Å; S761-A764 VanDerWaalsContact OG-N 3.12Å; S761-V765 WeakPolarHBondContact O-CG2 3.41Å; S761-V765 PolarHBondContact O-N 2.87Å; S761-E794 VanDerWaalsContact CB-OE2 3.23Å; S761-E794 WeakPolarHBondContact CB-OE2 3.35Å; S761-E794 PolarHBondContact OG-OE2 2.94Å | ||
| 762 | E | 82.4 | Confident | 71.3 | Confident | 160 Ų | 160 | 84.2 Ų | 84.2 | 75% | 0.748 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.2 | -35.4 | 176.6 | -66.7 | -178.7 | 170.2 | 0 | 0 | 111.6 | A766 | E762-A766 VanDerWaalsContact O-CB 3.26Å; E762-A766 WeakPolarHBondContact O-CB 3.33Å; E762-A766 PolarHBondContact O-N 3.29Å |
| 763 | F | 87.9 | Confident | 72.9 | Confident | 7 Ų | 7 | 82.9 Ų | 82.9 | 3% | 0.031 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 173.6 | 172.6 | -109.3 | 0 | 0 | 0 | 112.3 | S761 V765 A766 L767 P779 L782 L783 E794 L798 F812 M815 | S761-F763 PolarHBondContact O-N 3.32Å; F763-V765 VanDerWaalsContact C-N 3.35Å; F763-V765 PolarHBondContact O-N 3.3Å; F763-A766 PolarHBondContact O-N 3.29Å; F763-L767 HydrophobicContact CE1-CD2 4.3Å; F763-L767 HydrophobicContact CZ-CD2 4.14Å; F763-L767 VanDerWaalsContact O-CB 3.3Å; F763-L767 WeakPolarHBondContact O-CB 3.42Å; F763-L767 PolarHBondContact O-N 2.72Å; F763-P779 HydrophobicContact CD2-CB 4.18Å; F763-P779 HydrophobicContact CE2-CB 3.81Å; F763-L782 HydrophobicContact CD2-CB 4.48Å; F763-L783 HydrophobicContact CD1-CD2 4.43Å; F763-L783 HydrophobicContact CD2-CD1 4.37Å; F763-L783 HydrophobicContact CD2-CD2 4.08Å; F763-L783 HydrophobicContact CD2-CG 3.79Å; F763-L783 HydrophobicContact CE1-CD2 4.23Å; F763-L783 HydrophobicContact CE2-CD1 3.47Å; F763-L783 VanDerWaalsContact CE2-CD1 3.47Å; F763-L783 HydrophobicContact CE2-CD2 3.89Å; F763-L783 HydrophobicContact CE2-CG 3.38Å; F763-L783 HydrophobicContact CG-CD2 4.36Å; F763-L783 HydrophobicContact CZ-CD1 3.56Å; F763-L783 HydrophobicContact CZ-CD2 3.98Å; F763-L783 HydrophobicContact CZ-CG 3.82Å; F763-E794 HydrophobicContact CB-CG 4.47Å; F763-E794 HydrophobicContact CD1-CB 3.97Å; F763-E794 HydrophobicContact CD1-CG 4.41Å; F763-E794 HydrophobicContact CE1-CB 4.47Å; F763-L798 HydrophobicContact CE1-CD2 4.1Å; F763-F812 HydrophobicContact CZ-CD2 4.15Å; F763-F812 HydrophobicContact CZ-CE2 4.35Å; F763-M815 HydrophobicContact CZ-CE 4.4Å |
| 764 | A | 84.1 | Confident | 74.6 | Confident | 10 Ų | 10 | 81 Ų | 81 | 8% | 0.083 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R760 S761 L767 E768 L808 | R760-A764 HydrophobicContact CB-CB 4.49Å; S761-A764 PolarHBondContact O-N 3.34Å; S761-A764 VanDerWaalsContact O-N 3.07Å; S761-A764 WeakPolarHBondContact OG-CB 3.42Å; S761-A764 PolarHBondContact OG-N 3.43Å; S761-A764 VanDerWaalsContact OG-N 3.12Å; A764-L767 PolarHBondContact O-N 3.27Å; A764-E768 WeakPolarHBondContact O-CG 3.39Å; A764-E768 PolarHBondContact O-N 3.13Å; A764-L808 HydrophobicContact CB-CD1 4.2Å |
| 765 | V | 86.4 | Confident | 76.5 | Confident | 62 Ų | 62 | 73 Ų | 73 | 38% | 0.376 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 175.3 | 175.7 | 0 | 0 | 0 | 0 | 111 | R760 S761 F763 L767 E768 L769 | R760-V765 HydrophobicContact CB-CG2 3.85Å; S761-V765 WeakPolarHBondContact O-CG2 3.41Å; S761-V765 PolarHBondContact O-N 2.87Å; F763-V765 VanDerWaalsContact C-N 3.35Å; F763-V765 PolarHBondContact O-N 3.3Å; V765-L767 VanDerWaalsContact C-N 3.26Å; V765-L767 PolarHBondContact O-N 3.38Å; V765-E768 PolarHBondContact O-N 3.47Å; V765-L769 HydrophobicContact CG1-CD1 4.06Å; V765-L769 WeakPolarHBondContact O-CG 3.31Å; V765-L769 PolarHBondContact O-N 3.37Å |
| 766 | A | 86.4 | Confident | 78.3 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 17% | 0.174 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62 | -36.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E762 F763 A770 P779 L782 | E762-A766 VanDerWaalsContact O-CB 3.26Å; E762-A766 WeakPolarHBondContact O-CB 3.33Å; E762-A766 PolarHBondContact O-N 3.29Å; F763-A766 PolarHBondContact O-N 3.29Å; A766-A770 VanDerWaalsContact O-CB 3.23Å; A766-A770 WeakPolarHBondContact O-CB 3.38Å; A766-A770 PolarHBondContact O-N 3Å; A766-P779 HydrophobicContact CB-CG 4.01Å; A766-P779 WeakPolarHBondContact O-CG 3.43Å; A766-L782 HydrophobicContact CB-CD1 3.73Å |
| 767 | L | 88 | Confident | 80 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.7 | -35.6 | 179.5 | -168.8 | 66.1 | 0 | 0 | 0 | 112.3 | F763 A764 V765 A770 L771 F776 P779 L798 L808 A811 F812 M815 | F763-L767 HydrophobicContact CE1-CD2 4.3Å; F763-L767 HydrophobicContact CZ-CD2 4.14Å; F763-L767 VanDerWaalsContact O-CB 3.3Å; F763-L767 WeakPolarHBondContact O-CB 3.42Å; F763-L767 PolarHBondContact O-N 2.72Å; A764-L767 PolarHBondContact O-N 3.27Å; V765-L767 VanDerWaalsContact C-N 3.26Å; V765-L767 PolarHBondContact O-N 3.38Å; L767-A770 PolarHBondContact O-N 3.36Å; L767-L771 PolarHBondContact O-N 3.02Å; L767-L771 VanDerWaalsContact O-N 3.12Å; L767-F776 HydrophobicContact CD1-CD1 4.25Å; L767-F776 HydrophobicContact CD1-CE1 4.43Å; L767-P779 HydrophobicContact CD1-CB 4.21Å; L767-P779 HydrophobicContact CD1-CG 4.41Å; L767-L798 HydrophobicContact CD2-CD2 4.05Å; L767-L808 HydrophobicContact CB-CD2 4.31Å; L767-L808 HydrophobicContact CD2-CD2 4.21Å; L767-L808 HydrophobicContact CG-CD2 4.46Å; L767-A811 HydrophobicContact CD1-CB 4.15Å; L767-A811 HydrophobicContact CD2-CB 4.16Å; L767-A811 HydrophobicContact CG-CB 3.71Å; L767-F812 HydrophobicContact CD2-CB 4.09Å; L767-M815 HydrophobicContact CD1-CB 4.3Å; L767-M815 HydrophobicContact CD1-SD 4.16Å |
| 768 | E | 86.3 | Confident | 81.7 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 22% | 0.215 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 172.4 | -67.7 | 179.7 | 149.6 | 0 | 0 | 111.6 | R760 A764 V765 A770 L771 D772 L808 | R760-E768 IonicContact CZ-OE1 3.52Å; R760-E768 IonicContact CZ-OE2 3.73Å; R760-E768 IonicContact NH1-OE1 2.83Å; R760-E768 PolarHBondContact NH1-OE1 2.62Å; R760-E768 IonicContact NH1-OE2 3.96Å; R760-E768 PolarHBondContact NH1-OE2 2.9Å; R760-E768 IonicContact NH2-OE1 3.6Å; A764-E768 WeakPolarHBondContact O-CG 3.39Å; A764-E768 PolarHBondContact O-N 3.13Å; V765-E768 PolarHBondContact O-N 3.47Å; E768-A770 VanDerWaalsContact C-N 3.26Å; E768-A770 PolarHBondContact O-N 3.27Å; E768-L771 VanDerWaalsContact O-CB 3.28Å; E768-L771 WeakPolarHBondContact O-CB 3.38Å; E768-L771 PolarHBondContact O-N 2.89Å; E768-L771 VanDerWaalsContact O-N 3.11Å; E768-D772 PolarHBondContact O-N 2.58Å; E768-L808 HydrophobicContact CG-CD2 3.32Å; E768-L808 HydrophobicContact CG-CG 4.28Å |
| 769 | L | 86.3 | Confident | 83.4 | Confident | 104 Ų | 104 | 62.3 Ų | 62.3 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -34.8 | 175.4 | -68.1 | 169.7 | 0 | 0 | 0 | 111.9 | V765 L771 D772 T773 | V765-L769 HydrophobicContact CG1-CD1 4.06Å; V765-L769 WeakPolarHBondContact O-CG 3.31Å; V765-L769 PolarHBondContact O-N 3.37Å; L769-L771 VanDerWaalsContact C-N 3.31Å; L769-D772 PolarHBondContact O-N 2.84Å; L769-T773 WeakPolarHBondContact O-CB 3.38Å; L769-T773 WeakPolarHBondContact O-CG2 3.12Å; L769-T773 PolarHBondContact O-N 3.16Å; L769-T773 VanDerWaalsContact O-N 3.1Å; L769-T773 PolarHBondContact O-OG1 3.12Å |
| 770 | A | 86.6 | Confident | 84.7 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.3 | -32.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A766 L767 E768 T773 G774 S775 F776 P779 | A766-A770 VanDerWaalsContact O-CB 3.23Å; A766-A770 WeakPolarHBondContact O-CB 3.38Å; A766-A770 PolarHBondContact O-N 3Å; L767-A770 PolarHBondContact O-N 3.36Å; E768-A770 VanDerWaalsContact C-N 3.26Å; E768-A770 PolarHBondContact O-N 3.27Å; A770-T773 WeakPolarHBondContact CA-OG1 3.29Å; A770-T773 PolarHBondContact O-N 3.17Å; A770-T773 PolarHBondContact O-OG1 3.21Å; A770-G774 WeakPolarHBondContact O-CA 3.19Å; A770-G774 PolarHBondContact O-N 2.93Å; A770-S775 WeakPolarHBondContact CB-O 3.41Å; A770-F776 HydrophobicContact CB-CD1 3.55Å; A770-F776 HydrophobicContact CB-CE1 3.86Å; A770-F776 HydrophobicContact CB-CG 4.34Å; A770-P779 HydrophobicContact CB-CG 3.7Å |
| 771 | L | 83.4 | Confident | 85.7 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 29% | 0.288 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 175 | -170.6 | 68.5 | 0 | 0 | 0 | 111.8 | L767 E768 L769 L810 A811 | L767-L771 PolarHBondContact O-N 3.02Å; L767-L771 VanDerWaalsContact O-N 3.12Å; E768-L771 VanDerWaalsContact O-CB 3.28Å; E768-L771 WeakPolarHBondContact O-CB 3.38Å; E768-L771 PolarHBondContact O-N 2.89Å; E768-L771 VanDerWaalsContact O-N 3.11Å; L769-L771 VanDerWaalsContact C-N 3.31Å; L771-L810 HydrophobicContact CD1-CD2 4.24Å; L771-A811 HydrophobicContact CB-CB 4.22Å; L771-A811 HydrophobicContact CD1-CB 3.98Å; L771-A811 HydrophobicContact CD2-CB 4.43Å; L771-A811 HydrophobicContact CG-CB 4.45Å |
| 772 | D | 83.2 | Confident | 86.2 | Confident | 138 Ų | 138 | 58.9 Ų | 58.9 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -74.6 | -32.8 | 178.9 | -68.2 | -26.4 | 0 | 0 | 0 | 112.4 | E768 L769 | E768-D772 PolarHBondContact O-N 2.58Å; L769-D772 PolarHBondContact O-N 2.84Å |
| 773 | T | 83.4 | Confident | 86.5 | Confident | 104 Ų | 104 | 51.3 Ų | 51.3 | 64% | 0.638 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -93.2 | -20.7 | -175.4 | 55.4 | 0 | 0 | 0 | 0 | 114 | L769 A770 S775 | L769-T773 WeakPolarHBondContact O-CB 3.38Å; L769-T773 WeakPolarHBondContact O-CG2 3.12Å; L769-T773 PolarHBondContact O-N 3.16Å; L769-T773 VanDerWaalsContact O-N 3.1Å; L769-T773 PolarHBondContact O-OG1 3.12Å; A770-T773 WeakPolarHBondContact CA-OG1 3.29Å; A770-T773 PolarHBondContact O-N 3.17Å; A770-T773 PolarHBondContact O-OG1 3.21Å; T773-S775 VanDerWaalsContact C-N 3.27Å; T773-S775 PolarHBondContact O-N 3.43Å |
| 774 | G | 79.4 | Confident | 86.6 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 60% | 0.598 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 74 | 8.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | A770 | A770-G774 WeakPolarHBondContact O-CA 3.19Å; A770-G774 PolarHBondContact O-N 2.93Å |
| 775 | S | 86.5 | Confident | 86.8 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 43% | 0.434 | 34% | 0.335 | S | S | . | . | trans | -114.4 | 122 | 178.2 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | A770 T773 | A770-S775 WeakPolarHBondContact CB-O 3.41Å; T773-S775 VanDerWaalsContact C-N 3.27Å; T773-S775 PolarHBondContact O-N 3.43Å | ||
| 776 | F | 88.6 | Confident | 86.8 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | trans | -107.3 | 10.6 | -175 | -60.1 | -81.3 | 0 | 0 | 0 | 114.9 | L767 A770 G778 P779 L780 A811 Q814 M815 S818 | L767-F776 HydrophobicContact CD1-CD1 4.25Å; L767-F776 HydrophobicContact CD1-CE1 4.43Å; A770-F776 HydrophobicContact CB-CD1 3.55Å; A770-F776 HydrophobicContact CB-CE1 3.86Å; A770-F776 HydrophobicContact CB-CG 4.34Å; F776-G778 PolarHBondContact O-N 3.41Å; F776-P779 WeakPolarHBondContact O-CD 3.42Å; F776-L780 VanDerWaalsContact O-CB 3.31Å; F776-L780 WeakPolarHBondContact O-CB 3.45Å; F776-L780 PolarHBondContact O-N 3.47Å; F776-L780 VanDerWaalsContact O-N 3.13Å; F776-A811 WeakPolarHBondContact CE1-O 3.11Å; F776-Q814 HydrophobicContact CE1-CB 4.41Å; F776-Q814 HydrophobicContact CE2-CB 4.04Å; F776-Q814 HydrophobicContact CZ-CB 3.62Å; F776-M815 HydrophobicContact CB-CB 4Å; F776-M815 HydrophobicContact CB-CG 3.77Å; F776-M815 HydrophobicContact CD1-CB 3.58Å; F776-M815 HydrophobicContact CD1-CG 4.21Å; F776-M815 HydrophobicContact CE1-CB 4.16Å; F776-M815 HydrophobicContact CG-CB 3.8Å; F776-M815 HydrophobicContact CG-CG 4.16Å; F776-S818 WeakPolarHBondContact CD2-OG 3.31Å | ||
| 777 | D | 85.4 | Confident | 86.9 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | -179.6 | -75 | -43.7 | 0 | 0 | 0 | 112.9 | L780 R781 | D777-L780 PolarHBondContact O-N 2.85Å; D777-R781 WeakPolarHBondContact O-CG 3.32Å; D777-R781 PolarHBondContact O-N 2.95Å |
| 778 | G | 87.1 | Confident | 86.9 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.4 | -57.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F776 L780 R781 L782 | F776-G778 PolarHBondContact O-N 3.41Å; G778-L780 VanDerWaalsContact C-N 3.26Å; G778-L780 PolarHBondContact O-N 3.47Å; G778-R781 PolarHBondContact O-N 3.5Å; G778-L782 PolarHBondContact O-N 2.97Å |
| 779 | P | 89.6 | Confident | 86.9 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.5 | -37.9 | 174.2 | -25.6 | 33.1 | 0 | 0 | 0 | 113.4 | F763 A766 L767 A770 F776 L782 L783 M815 | F763-P779 HydrophobicContact CD2-CB 4.18Å; F763-P779 HydrophobicContact CE2-CB 3.81Å; A766-P779 HydrophobicContact CB-CG 4.01Å; A766-P779 WeakPolarHBondContact O-CG 3.43Å; L767-P779 HydrophobicContact CD1-CB 4.21Å; L767-P779 HydrophobicContact CD1-CG 4.41Å; A770-P779 HydrophobicContact CB-CG 3.7Å; F776-P779 WeakPolarHBondContact O-CD 3.42Å; P779-L782 PolarHBondContact O-N 3.24Å; P779-L783 PolarHBondContact O-N 3.12Å; P779-L783 VanDerWaalsContact O-N 3.08Å; P779-M815 HydrophobicContact CB-SD 3.92Å |
| 780 | L | 90 | Very high | 86.9 | Confident | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177.8 | 179.3 | 58.9 | 0 | 0 | 0 | 112.1 | F776 D777 G778 L782 L783 K784 M819 Y832 | F776-L780 VanDerWaalsContact O-CB 3.31Å; F776-L780 WeakPolarHBondContact O-CB 3.45Å; F776-L780 PolarHBondContact O-N 3.47Å; F776-L780 VanDerWaalsContact O-N 3.13Å; D777-L780 PolarHBondContact O-N 2.85Å; G778-L780 VanDerWaalsContact C-N 3.26Å; G778-L780 PolarHBondContact O-N 3.47Å; L780-L782 VanDerWaalsContact C-N 3.34Å; L780-L782 PolarHBondContact O-N 2.72Å; L780-L783 PolarHBondContact O-N 2.87Å; L780-K784 HydrophobicContact CD1-CG 4.44Å; L780-K784 WeakPolarHBondContact O-CG 3.05Å; L780-K784 PolarHBondContact O-N 2.95Å; L780-M819 HydrophobicContact CD1-CE 3.56Å; L780-M819 HydrophobicContact CD1-CG 4.49Å; L780-M819 HydrophobicContact CD1-SD 3.67Å; L780-M819 HydrophobicContact CD2-CE 4.15Å; L780-M819 HydrophobicContact CD2-CG 4.06Å; L780-M819 HydrophobicContact CD2-SD 4.31Å; L780-Y832 HydrophobicContact CD1-CE2 4.2Å |
| 781 | R | 89.4 | Confident | 87.1 | Confident | 178 Ų | 178 | 57 Ų | 57 | 67% | 0.672 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.4 | -45 | 174.9 | -75.5 | 176.6 | -176.6 | 171.1 | 2.1 | 111.5 | D777 G778 L783 K784 D785 | D777-R781 WeakPolarHBondContact O-CG 3.32Å; D777-R781 PolarHBondContact O-N 2.95Å; G778-R781 PolarHBondContact O-N 3.5Å; R781-L783 VanDerWaalsContact C-N 3.31Å; R781-L783 PolarHBondContact O-N 2.93Å; R781-K784 PolarHBondContact O-N 2.87Å; R781-K784 VanDerWaalsContact O-N 3.09Å; R781-D785 PolarHBondContact O-N 2.86Å |
| 782 | L | 89.2 | Confident | 87.3 | Confident | 58 Ų | 58 | 55.2 Ų | 55.2 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59 | -39.8 | 176.8 | -67.4 | 172.7 | 0 | 0 | 0 | 112.4 | F763 A766 G778 P779 L780 C786 | F763-L782 HydrophobicContact CD2-CB 4.48Å; A766-L782 HydrophobicContact CB-CD1 3.73Å; G778-L782 PolarHBondContact O-N 2.97Å; P779-L782 PolarHBondContact O-N 3.24Å; L780-L782 VanDerWaalsContact C-N 3.34Å; L780-L782 PolarHBondContact O-N 2.72Å; L782-C786 PolarHBondContact O-N 2.87Å; L782-C786 PolarHBondContact O-SG 3.44Å |
| 783 | L | 89.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.5 | -32.9 | 175.1 | -76.5 | 178.6 | 0 | 0 | 0 | 113.8 | F763 P779 L780 R781 C786 V791 E794 F812 M815 Y832 | F763-L783 HydrophobicContact CD1-CD2 4.43Å; F763-L783 HydrophobicContact CD2-CD1 4.37Å; F763-L783 HydrophobicContact CD2-CD2 4.08Å; F763-L783 HydrophobicContact CD2-CG 3.79Å; F763-L783 HydrophobicContact CE1-CD2 4.23Å; F763-L783 HydrophobicContact CE2-CD1 3.47Å; F763-L783 VanDerWaalsContact CE2-CD1 3.47Å; F763-L783 HydrophobicContact CE2-CD2 3.89Å; F763-L783 HydrophobicContact CE2-CG 3.38Å; F763-L783 HydrophobicContact CG-CD2 4.36Å; F763-L783 HydrophobicContact CZ-CD1 3.56Å; F763-L783 HydrophobicContact CZ-CD2 3.98Å; F763-L783 HydrophobicContact CZ-CG 3.82Å; P779-L783 PolarHBondContact O-N 3.12Å; P779-L783 VanDerWaalsContact O-N 3.08Å; L780-L783 PolarHBondContact O-N 2.87Å; R781-L783 VanDerWaalsContact C-N 3.31Å; R781-L783 PolarHBondContact O-N 2.93Å; L783-C786 WeakPolarHBondContact O-CB 3.27Å; L783-C786 PolarHBondContact O-N 2.84Å; L783-V791 HydrophobicContact CD2-CG2 4.48Å; L783-E794 HydrophobicContact CD2-CB 4.42Å; L783-F812 HydrophobicContact CD1-CE2 4.09Å; L783-M815 HydrophobicContact CD1-CE 3.58Å; L783-M815 HydrophobicContact CD1-SD 4.43Å; L783-Y832 HydrophobicContact CB-CE2 4.34Å; L783-Y832 HydrophobicContact CD1-CE2 4.33Å; L783-Y832 PolarHBondContact O-OH 2.82Å |
| 784 | K | 89.5 | Confident | 87.8 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 23% | 0.226 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 175.6 | -70.7 | -174.8 | -176.9 | -174.6 | 0 | 112 | M693 L780 R781 C786 D825 L828 | M693-K784 HydrophobicContact CE-CB 4.28Å; M693-K784 HydrophobicContact CE-CG 4.02Å; M693-K784 HydrophobicContact SD-CB 4.27Å; L780-K784 HydrophobicContact CD1-CG 4.44Å; L780-K784 WeakPolarHBondContact O-CG 3.05Å; L780-K784 PolarHBondContact O-N 2.95Å; R781-K784 PolarHBondContact O-N 2.87Å; R781-K784 VanDerWaalsContact O-N 3.09Å; K784-C786 VanDerWaalsContact C-N 3.27Å; K784-C786 PolarHBondContact O-N 3.38Å; K784-D825 WeakPolarHBondContact CE-OD1 3.49Å; K784-D825 WeakPolarHBondContact CE-OD2 3.41Å; K784-D825 IonicContact NZ-OD1 3.4Å; K784-D825 PolarHBondContact NZ-OD1 3.28Å; K784-D825 IonicContact NZ-OD2 2.69Å; K784-D825 PolarHBondContact NZ-OD2 2.75Å; K784-L828 HydrophobicContact CG-CD1 4.44Å |
| 785 | D | 89.3 | Confident | 88.2 | Confident | 131 Ų | 131 | 46.7 Ų | 46.7 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -70.8 | -26.5 | 176.3 | -67.5 | -21.5 | 0 | 0 | 0 | 111.9 | R781 | R781-D785 PolarHBondContact O-N 2.86Å |
| 786 | C | 86.1 | Confident | 88.2 | Confident | 41 Ų | 41 | 47 Ų | 47 | 28% | 0.277 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -69.5 | 139.7 | 175.8 | -72.6 | 0 | 0 | 0 | 0 | 113.2 | L782 L783 K784 V791 | L782-C786 PolarHBondContact O-N 2.87Å; L782-C786 PolarHBondContact O-SG 3.44Å; L783-C786 WeakPolarHBondContact O-CB 3.27Å; L783-C786 PolarHBondContact O-N 2.84Å; K784-C786 VanDerWaalsContact C-N 3.27Å; K784-C786 PolarHBondContact O-N 3.38Å; C786-V791 HydrophobicContact CB-CG2 3.73Å |
| 787 | G | 87.3 | Confident | 88.1 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | trans | -70.2 | 164.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A789 G790 V791 | G787-A789 PolarHBondContact O-N 3.45Å; G787-A789 VanDerWaalsContact O-N 3.1Å; G787-G790 WeakPolarHBondContact O-CA 3.31Å; G787-G790 PolarHBondContact O-N 2.82Å; G787-V791 PolarHBondContact O-N 2.72Å | ||
| 788 | P | 88.2 | Confident | 88 | Confident | 37 Ų | 37 | 44.2 Ų | 44.2 | 24% | 0.24 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.2 | -33.8 | -175.9 | -28.2 | 35.4 | 0 | 0 | 0 | 114.9 | L701 L704 S792 | L701-P788 HydrophobicContact CD2-CB 3.81Å; L701-P788 WeakPolarHBondContact CD2-O 3.39Å; L701-P788 HydrophobicContact CG-CB 4.48Å; L704-P788 HydrophobicContact CD1-CB 3.68Å; P788-S792 PolarHBondContact O-N 2.67Å; P788-S792 VanDerWaalsContact O-N 3.1Å |
| 789 | A | 86.5 | Confident | 87.6 | Confident | 46 Ų | 46 | 43 Ų | 43 | 38% | 0.38 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71.4 | -39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G787 S792 V793 | G787-A789 PolarHBondContact O-N 3.45Å; G787-A789 VanDerWaalsContact O-N 3.1Å; A789-S792 WeakPolarHBondContact CA-OG 3.04Å; A789-S792 PolarHBondContact O-N 3.34Å; A789-S792 PolarHBondContact O-OG 3.45Å; A789-V793 WeakPolarHBondContact O-CG2 3.28Å; A789-V793 PolarHBondContact O-N 2.82Å |
| 790 | G | 87.6 | Confident | 86.7 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.9 | -47.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G787 S792 V793 E794 | G787-G790 WeakPolarHBondContact O-CA 3.31Å; G787-G790 PolarHBondContact O-N 2.82Å; G790-S792 VanDerWaalsContact C-N 3.3Å; G790-S792 PolarHBondContact O-N 2.9Å; G790-V793 PolarHBondContact O-N 2.88Å; G790-E794 PolarHBondContact O-N 3.07Å |
| 791 | V | 89.8 | Confident | 85.6 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55 | -45.9 | 173.4 | 175.8 | 0 | 0 | 0 | 0 | 111 | L701 L783 C786 G787 V793 E794 L795 Y832 L835 | L701-V791 HydrophobicContact CD1-CG1 4.39Å; L701-V791 HydrophobicContact CD2-CB 3.92Å; L701-V791 HydrophobicContact CD2-CG1 3.9Å; L783-V791 HydrophobicContact CD2-CG2 4.48Å; C786-V791 HydrophobicContact CB-CG2 3.73Å; G787-V791 PolarHBondContact O-N 2.72Å; V791-V793 VanDerWaalsContact C-N 3.28Å; V791-V793 PolarHBondContact O-N 2.64Å; V791-E794 PolarHBondContact O-N 3.45Å; V791-L795 HydrophobicContact CG1-CD1 3.94Å; V791-L795 HydrophobicContact CG1-CG 4.28Å; V791-L795 WeakPolarHBondContact O-CB 3.41Å; V791-L795 VanDerWaalsContact O-CG 3.26Å; V791-L795 WeakPolarHBondContact O-CG 3.26Å; V791-L795 PolarHBondContact O-N 3.46Å; V791-Y832 HydrophobicContact CG1-CD1 4.07Å; V791-Y832 HydrophobicContact CG1-CE1 3.74Å; V791-Y832 HydrophobicContact CG2-CE1 4.45Å; V791-L835 HydrophobicContact CG1-CD2 4.45Å |
| 792 | S | 88.6 | Confident | 84.3 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -34 | 178.1 | 71.4 | 0 | 0 | 0 | 0 | 113.4 | P788 A789 G790 T796 | P788-S792 PolarHBondContact O-N 2.67Å; P788-S792 VanDerWaalsContact O-N 3.1Å; A789-S792 WeakPolarHBondContact CA-OG 3.04Å; A789-S792 PolarHBondContact O-N 3.34Å; A789-S792 PolarHBondContact O-OG 3.45Å; G790-S792 VanDerWaalsContact C-N 3.3Å; G790-S792 PolarHBondContact O-N 2.9Å; S792-T796 WeakPolarHBondContact O-CB 3.48Å; S792-T796 PolarHBondContact O-N 3.48Å; S792-T796 VanDerWaalsContact O-N 3.11Å; S792-T796 PolarHBondContact O-OG1 2.81Å |
| 793 | V | 87.3 | Confident | 83 | Confident | 81 Ų | 81 | 48.4 Ų | 48.4 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.8 | -51.3 | 178.3 | 169.8 | 0 | 0 | 0 | 0 | 110.2 | A789 G790 V791 L795 T796 C797 | A789-V793 WeakPolarHBondContact O-CG2 3.28Å; A789-V793 PolarHBondContact O-N 2.82Å; G790-V793 PolarHBondContact O-N 2.88Å; V791-V793 VanDerWaalsContact C-N 3.28Å; V791-V793 PolarHBondContact O-N 2.64Å; V793-L795 VanDerWaalsContact C-N 3.3Å; V793-L795 PolarHBondContact O-N 3.03Å; V793-T796 WeakPolarHBondContact O-CB 3.28Å; V793-T796 PolarHBondContact O-N 3.32Å; V793-C797 PolarHBondContact O-N 2.81Å; V793-C797 PolarHBondContact O-SG 2.89Å |
| 794 | E | 88.3 | Confident | 82 | Confident | 41 Ų | 41 | 49 Ų | 49 | 19% | 0.192 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.6 | -44.4 | 178.3 | -71.4 | -59.7 | 151.6 | 0 | 0 | 111.5 | S761 F763 L783 G790 V791 T796 C797 | S761-E794 VanDerWaalsContact CB-OE2 3.23Å; S761-E794 WeakPolarHBondContact CB-OE2 3.35Å; S761-E794 PolarHBondContact OG-OE2 2.94Å; F763-E794 HydrophobicContact CB-CG 4.47Å; F763-E794 HydrophobicContact CD1-CB 3.97Å; F763-E794 HydrophobicContact CD1-CG 4.41Å; F763-E794 HydrophobicContact CE1-CB 4.47Å; L783-E794 HydrophobicContact CD2-CB 4.42Å; G790-E794 PolarHBondContact O-N 3.07Å; V791-E794 PolarHBondContact O-N 3.45Å; E794-T796 VanDerWaalsContact C-N 3.35Å; E794-T796 PolarHBondContact O-N 2.94Å; E794-C797 PolarHBondContact O-N 2.88Å |
| 795 | L | 88.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 176 | -66.1 | -177.4 | 0 | 0 | 0 | 112.3 | V791 V793 C797 L798 F812 L835 L839 H840 | V791-L795 HydrophobicContact CG1-CD1 3.94Å; V791-L795 HydrophobicContact CG1-CG 4.28Å; V791-L795 WeakPolarHBondContact O-CB 3.41Å; V791-L795 VanDerWaalsContact O-CG 3.26Å; V791-L795 WeakPolarHBondContact O-CG 3.26Å; V791-L795 PolarHBondContact O-N 3.46Å; V793-L795 VanDerWaalsContact C-N 3.3Å; V793-L795 PolarHBondContact O-N 3.03Å; L795-C797 VanDerWaalsContact C-N 3.31Å; L795-C797 PolarHBondContact O-N 2.94Å; L795-L798 HydrophobicContact CD2-CD1 3.91Å; L795-L798 WeakPolarHBondContact O-CG 3.37Å; L795-L798 PolarHBondContact O-N 3.04Å; L795-F812 HydrophobicContact CD1-CZ 4.4Å; L795-F812 HydrophobicContact CD2-CD2 3.86Å; L795-F812 HydrophobicContact CD2-CE1 4.15Å; L795-F812 HydrophobicContact CD2-CE2 3.16Å; L795-F812 HydrophobicContact CD2-CZ 3.32Å; L795-L835 HydrophobicContact CD1-CB 4.29Å; L795-L835 HydrophobicContact CD1-CD2 3.69Å; L795-L835 HydrophobicContact CD1-CG 3.92Å; L795-L839 HydrophobicContact CB-CD1 3.9Å; L795-H840 PolarHBondContact O-CE1 3.11Å; L795-H840 PolarHBondContact O-NE2 2.98Å |
| 796 | T | 87.2 | Confident | 80.7 | Confident | 69 Ų | 69 | 45.2 Ų | 45.2 | 42% | 0.423 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.5 | -34.5 | 177.5 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | S792 V793 E794 L798 | S792-T796 WeakPolarHBondContact O-CB 3.48Å; S792-T796 PolarHBondContact O-N 3.48Å; S792-T796 VanDerWaalsContact O-N 3.11Å; S792-T796 PolarHBondContact O-OG1 2.81Å; V793-T796 WeakPolarHBondContact O-CB 3.28Å; V793-T796 PolarHBondContact O-N 3.32Å; E794-T796 VanDerWaalsContact C-N 3.35Å; E794-T796 PolarHBondContact O-N 2.94Å; T796-L798 VanDerWaalsContact C-N 3.25Å; T796-L798 PolarHBondContact O-N 3.24Å |
| 797 | C | 86.2 | Confident | 80.5 | Confident | 52 Ų | 52 | 46 Ų | 46 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -1.2 | -177.6 | -72 | 0 | 0 | 0 | 0 | 115.2 | V793 E794 L795 T799 G804 | V793-C797 PolarHBondContact O-N 2.81Å; V793-C797 PolarHBondContact O-SG 2.89Å; E794-C797 PolarHBondContact O-N 2.88Å; L795-C797 VanDerWaalsContact C-N 3.31Å; L795-C797 PolarHBondContact O-N 2.94Å; C797-T799 VanDerWaalsContact C-N 3.3Å; C797-T799 PolarHBondContact O-N 3.34Å; C797-G804 PolarHBondContact O-N 3.18Å |
| 798 | L | 83.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20.7 | -178 | -67.1 | 174 | 0 | 0 | 0 | 114.5 | F763 L767 L795 T796 L808 L809 F812 F836 | F763-L798 HydrophobicContact CE1-CD2 4.1Å; L767-L798 HydrophobicContact CD2-CD2 4.05Å; L795-L798 HydrophobicContact CD2-CD1 3.91Å; L795-L798 WeakPolarHBondContact O-CG 3.37Å; L795-L798 PolarHBondContact O-N 3.04Å; T796-L798 VanDerWaalsContact C-N 3.25Å; T796-L798 PolarHBondContact O-N 3.24Å; L798-L808 HydrophobicContact CD2-CB 4.12Å; L798-L809 HydrophobicContact CB-CD2 3.8Å; L798-F812 HydrophobicContact CD1-CB 4.16Å; L798-F812 HydrophobicContact CD1-CD2 4.11Å; L798-F812 HydrophobicContact CD1-CG 4.05Å; L798-F836 HydrophobicContact CD1-CD2 4.13Å; L798-F836 HydrophobicContact CD1-CE2 3.99Å |
| 799 | T | 78.7 | Confident | 80.2 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -87.8 | 164.1 | -178.2 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | C797 E801 G802 G803 G804 L809 H840 T843 | C797-T799 VanDerWaalsContact C-N 3.3Å; C797-T799 PolarHBondContact O-N 3.34Å; T799-E801 PolarHBondContact O-N 3.24Å; T799-G802 PolarHBondContact O-N 3.07Å; T799-G803 PolarHBondContact O-N 2.79Å; T799-G804 WeakPolarHBondContact O-CA 3.06Å; T799-G804 PolarHBondContact O-N 2.83Å; T799-L809 HydrophobicContact CG2-CD1 4.28Å; T799-L809 HydrophobicContact CG2-CD2 4.19Å; T799-H840 VanDerWaalsContact CG2-CE1 3.44Å; T799-H840 WeakPolarHBondContact CG2-CE1 3.38Å; T799-H840 WeakPolarHBondContact CG2-ND1 3.29Å; T799-T843 HydrophobicContact CG2-CG2 4.4Å |
| 800 | S | 69.2 | Low | 80.2 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -57.7 | -28.8 | 175.3 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | G802 G804 | S800-G802 VanDerWaalsContact C-N 3.31Å; S800-G804 WeakPolarHBondContact CA-O 3.21Å |
| 801 | E | 68 | Low | 80.2 | Confident | 190 Ų | 190 | 40.9 Ų | 40.9 | 89% | 0.888 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -71 | -25.9 | 175.4 | -63.2 | -173.8 | 165.8 | 0 | 0 | 112.8 | T799 | T799-E801 PolarHBondContact O-N 3.24Š|
| 802 | G | 60.8 | Low | 80.3 | Confident | 35 Ų | 35 | 40.7 Ų | 40.7 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -99.1 | 6.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | T799 S800 | T799-G802 PolarHBondContact O-N 3.07Å; S800-G802 VanDerWaalsContact C-N 3.31Å |
| 803 | G | 62.6 | Low | 80.4 | Confident | 57 Ų | 57 | 40.1 Ų | 40.1 | 59% | 0.588 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.9 | 4.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T799 | T799-G803 PolarHBondContact O-N 2.79Š|
| 804 | G | 68.7 | Low | 80.5 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | trans | -94.1 | -167.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C797 T799 S800 | C797-G804 PolarHBondContact O-N 3.18Å; T799-G804 WeakPolarHBondContact O-CA 3.06Å; T799-G804 PolarHBondContact O-N 2.83Å; S800-G804 WeakPolarHBondContact CA-O 3.21Å | ||
| 805 | A | 75.1 | Confident | 80.7 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 21% | 0.207 | 24% | 0.239 | C | C | . | . | trans | -137.3 | 152.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | S807 L808 | A805-S807 WeakPolarHBondContact CB-OG 3.43Å; A805-S807 PolarHBondContact O-N 2.89Å; A805-S807 VanDerWaalsContact O-N 3.09Å; A805-L808 VanDerWaalsContact O-CB 3.28Å; A805-L808 WeakPolarHBondContact O-CB 3.47Å; A805-L808 PolarHBondContact O-N 3.23Å | ||
| 806 | N | 76.3 | Confident | 80.9 | Confident | 78 Ų | 78 | 37.6 Ų | 37.6 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.5 | -23.8 | 179.9 | -67.5 | 0.2 | 0 | 0 | 0 | 112.8 | L808 L809 L810 | N806-L808 VanDerWaalsContact C-N 3.27Å; N806-L808 PolarHBondContact O-N 2.91Å; N806-L809 WeakPolarHBondContact O-CB 3.47Å; N806-L809 PolarHBondContact O-N 3.09Å; N806-L810 PolarHBondContact O-N 3.37Å |
| 807 | S | 81.4 | Confident | 81 | Confident | 57 Ų | 57 | 36 Ų | 36 | 40% | 0.399 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.2 | -32.8 | 170.7 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | A805 L810 A811 | A805-S807 WeakPolarHBondContact CB-OG 3.43Å; A805-S807 PolarHBondContact O-N 2.89Å; A805-S807 VanDerWaalsContact O-N 3.09Å; S807-L810 PolarHBondContact O-N 3.38Å; S807-A811 WeakPolarHBondContact O-CB 3.46Å; S807-A811 PolarHBondContact O-N 2.89Å |
| 808 | L | 84.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.9 | -33.9 | 177.3 | -68.7 | 173.9 | 0 | 0 | 0 | 112.5 | A764 L767 E768 L798 A805 N806 L810 A811 F812 | A764-L808 HydrophobicContact CB-CD1 4.2Å; L767-L808 HydrophobicContact CB-CD2 4.31Å; L767-L808 HydrophobicContact CD2-CD2 4.21Å; L767-L808 HydrophobicContact CG-CD2 4.46Å; E768-L808 HydrophobicContact CG-CD2 3.32Å; E768-L808 HydrophobicContact CG-CG 4.28Å; L798-L808 HydrophobicContact CD2-CB 4.12Å; A805-L808 VanDerWaalsContact O-CB 3.28Å; A805-L808 WeakPolarHBondContact O-CB 3.47Å; A805-L808 PolarHBondContact O-N 3.23Å; N806-L808 VanDerWaalsContact C-N 3.27Å; N806-L808 PolarHBondContact O-N 2.91Å; L808-L810 VanDerWaalsContact C-N 3.33Å; L808-A811 PolarHBondContact O-N 2.98Å; L808-F812 WeakPolarHBondContact O-CB 3.41Å; L808-F812 PolarHBondContact O-N 3.03Å |
| 809 | L | 85.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 175.1 | -64.3 | 174.5 | 0 | 0 | 0 | 110.3 | L798 T799 N806 F812 I813 F836 T843 | L798-L809 HydrophobicContact CB-CD2 3.8Å; T799-L809 HydrophobicContact CG2-CD1 4.28Å; T799-L809 HydrophobicContact CG2-CD2 4.19Å; N806-L809 WeakPolarHBondContact O-CB 3.47Å; N806-L809 PolarHBondContact O-N 3.09Å; L809-F812 PolarHBondContact O-N 3.31Å; L809-I813 WeakPolarHBondContact O-CD1 3.42Å; L809-I813 VanDerWaalsContact O-CG1 3.3Å; L809-I813 WeakPolarHBondContact O-CG1 3.44Å; L809-I813 PolarHBondContact O-N 3.5Å; L809-I813 VanDerWaalsContact O-N 3.09Å; L809-F836 HydrophobicContact CB-CZ 4.33Å; L809-F836 HydrophobicContact CD2-CE2 3.68Å; L809-F836 HydrophobicContact CD2-CZ 3.93Å; L809-T843 HydrophobicContact CD1-CG2 4.27Å |
| 810 | L | 86.3 | Confident | 82 | Confident | 37 Ų | 37 | 36 Ų | 36 | 19% | 0.194 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 175.8 | -172.5 | 121.5 | 0 | 0 | 0 | 111.6 | L771 N806 S807 L808 F812 I813 Q814 V849 T853 | L771-L810 HydrophobicContact CD1-CD2 4.24Å; N806-L810 PolarHBondContact O-N 3.37Å; S807-L810 PolarHBondContact O-N 3.38Å; L808-L810 VanDerWaalsContact C-N 3.33Å; L810-F812 VanDerWaalsContact C-N 3.3Å; L810-F812 PolarHBondContact O-N 2.97Å; L810-I813 PolarHBondContact O-N 3.44Å; L810-Q814 WeakPolarHBondContact O-CG 3.48Å; L810-Q814 PolarHBondContact O-N 3.12Å; L810-V849 HydrophobicContact CD1-CG1 3.81Å; L810-T853 HydrophobicContact CD1-CG2 3.9Å |
| 811 | A | 87.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L767 L771 F776 S807 L808 Q814 M815 | L767-A811 HydrophobicContact CD1-CB 4.15Å; L767-A811 HydrophobicContact CD2-CB 4.16Å; L767-A811 HydrophobicContact CG-CB 3.71Å; L771-A811 HydrophobicContact CB-CB 4.22Å; L771-A811 HydrophobicContact CD1-CB 3.98Å; L771-A811 HydrophobicContact CD2-CB 4.43Å; L771-A811 HydrophobicContact CG-CB 4.45Å; F776-A811 WeakPolarHBondContact CE1-O 3.11Å; S807-A811 WeakPolarHBondContact O-CB 3.46Å; S807-A811 PolarHBondContact O-N 2.89Å; L808-A811 PolarHBondContact O-N 2.98Å; A811-Q814 PolarHBondContact O-N 2.83Å; A811-M815 WeakPolarHBondContact O-CB 3.47Å; A811-M815 PolarHBondContact O-N 2.96Å |
| 812 | F | 91.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | 174.9 | -172.8 | -94.4 | 0 | 0 | 0 | 112.5 | F763 L767 L783 L795 L798 L808 L809 L810 Q814 M815 V816 F836 | F763-F812 HydrophobicContact CZ-CD2 4.15Å; F763-F812 HydrophobicContact CZ-CE2 4.35Å; L767-F812 HydrophobicContact CD2-CB 4.09Å; L783-F812 HydrophobicContact CD1-CE2 4.09Å; L795-F812 HydrophobicContact CD1-CZ 4.4Å; L795-F812 HydrophobicContact CD2-CD2 3.86Å; L795-F812 HydrophobicContact CD2-CE1 4.15Å; L795-F812 HydrophobicContact CD2-CE2 3.16Å; L795-F812 HydrophobicContact CD2-CZ 3.32Å; L798-F812 HydrophobicContact CD1-CB 4.16Å; L798-F812 HydrophobicContact CD1-CD2 4.11Å; L798-F812 HydrophobicContact CD1-CG 4.05Å; L808-F812 WeakPolarHBondContact O-CB 3.41Å; L808-F812 PolarHBondContact O-N 3.03Å; L809-F812 PolarHBondContact O-N 3.31Å; L810-F812 VanDerWaalsContact C-N 3.3Å; L810-F812 PolarHBondContact O-N 2.97Å; F812-Q814 VanDerWaalsContact C-N 3.32Å; F812-Q814 PolarHBondContact O-N 3.24Å; F812-M815 HydrophobicContact CD2-CE 3.42Å; F812-M815 VanDerWaalsContact CD2-CE 3.42Å; F812-M815 HydrophobicContact CE2-CE 3.21Å; F812-M815 HydrophobicContact CG-CE 4.39Å; F812-M815 HydrophobicContact CZ-CE 4.06Å; F812-M815 WeakPolarHBondContact O-CB 3.36Å; F812-M815 PolarHBondContact O-N 2.85Å; F812-V816 HydrophobicContact CD1-CG2 4.27Å; F812-V816 HydrophobicContact CE1-CG2 3.82Å; F812-V816 HydrophobicContact CZ-CG2 4.19Å; F812-V816 WeakPolarHBondContact O-CG2 3.32Å; F812-V816 PolarHBondContact O-N 3.25Å; F812-F836 HydrophobicContact CB-CE2 4.22Å; F812-F836 HydrophobicContact CD1-CB 4.16Å; F812-F836 HydrophobicContact CD1-CD1 4.11Å; F812-F836 AromaticContact CD1-CD2 3.28Å; F812-F836 HydrophobicContact CD1-CD2 3.28Å; F812-F836 HydrophobicContact CD1-CE1 4.32Å; F812-F836 AromaticContact CD1-CE2 3.55Å; F812-F836 HydrophobicContact CD1-CE2 3.55Å; F812-F836 AromaticContact CD1-CG 3.59Å; F812-F836 HydrophobicContact CD1-CG 3.59Å; F812-F836 HydrophobicContact CD1-CZ 4.07Å; F812-F836 HydrophobicContact CE1-CB 3.53Å; F812-F836 HydrophobicContact CE1-CD1 4.24Å; F812-F836 AromaticContact CE1-CD2 3.52Å; F812-F836 HydrophobicContact CE1-CD2 3.52Å; F812-F836 HydrophobicContact CE1-CE2 4.26Å; F812-F836 AromaticContact CE1-CG 3.51Å; F812-F836 HydrophobicContact CE1-CG 3.51Å; F812-F836 HydrophobicContact CG-CD2 4.07Å; F812-F836 HydrophobicContact CG-CE2 4.09Å; F812-F836 HydrophobicContact CZ-CB 4.33Å; F812-F836 HydrophobicContact CZ-CD2 4.44Å |
| 813 | I | 90.5 | Very high | 84.9 | Confident | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.5 | -67.2 | 160.2 | 0 | 0 | 0 | 110.3 | L809 L810 V816 D817 F836 L844 A850 L854 L857 | L809-I813 WeakPolarHBondContact O-CD1 3.42Å; L809-I813 VanDerWaalsContact O-CG1 3.3Å; L809-I813 WeakPolarHBondContact O-CG1 3.44Å; L809-I813 PolarHBondContact O-N 3.5Å; L809-I813 VanDerWaalsContact O-N 3.09Å; L810-I813 PolarHBondContact O-N 3.44Å; I813-V816 PolarHBondContact O-N 3.18Å; I813-D817 WeakPolarHBondContact O-CB 3.4Å; I813-D817 PolarHBondContact O-N 3.47Å; I813-F836 HydrophobicContact CD1-CE1 4.08Å; I813-F836 HydrophobicContact CD1-CZ 4.22Å; I813-F836 HydrophobicContact CG1-CE1 3.74Å; I813-F836 HydrophobicContact CG1-CZ 3.99Å; I813-L844 HydrophobicContact CD1-CD2 4.09Å; I813-A850 HydrophobicContact CD1-CB 4.36Å; I813-L854 HydrophobicContact CD1-CD1 4.23Å; I813-L854 HydrophobicContact CD1-CD2 3.91Å; I813-L854 HydrophobicContact CD1-CG 3.79Å; I813-L854 HydrophobicContact CG1-CD2 3.88Å; I813-L854 HydrophobicContact CG1-CG 4.32Å; I813-L854 HydrophobicContact CG2-CD2 4.08Å; I813-L854 HydrophobicContact CG2-CG 4.46Å; I813-L857 HydrophobicContact CG2-CD2 4.24Å |
| 814 | Q | 89.6 | Confident | 86.1 | Confident | 69 Ų | 69 | 29.3 Ų | 29.3 | 32% | 0.322 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.2 | -34.8 | 175.8 | -70.3 | -179.2 | -4.4 | 0 | 0 | 112.9 | F776 L810 A811 F812 D817 S818 | F776-Q814 HydrophobicContact CE1-CB 4.41Å; F776-Q814 HydrophobicContact CE2-CB 4.04Å; F776-Q814 HydrophobicContact CZ-CB 3.62Å; L810-Q814 WeakPolarHBondContact O-CG 3.48Å; L810-Q814 PolarHBondContact O-N 3.12Å; A811-Q814 PolarHBondContact O-N 2.83Å; F812-Q814 VanDerWaalsContact C-N 3.32Å; F812-Q814 PolarHBondContact O-N 3.24Å; Q814-D817 WeakPolarHBondContact O-CB 3.48Å; Q814-D817 PolarHBondContact O-N 3.2Å; Q814-S818 PolarHBondContact O-N 2.83Å |
| 815 | M | 91.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.4 | -49.5 | 171.1 | 174.8 | 177.4 | 83 | 0 | 0 | 111 | F763 L767 F776 P779 L783 A811 F812 D817 S818 M819 | F763-M815 HydrophobicContact CZ-CE 4.4Å; L767-M815 HydrophobicContact CD1-CB 4.3Å; L767-M815 HydrophobicContact CD1-SD 4.16Å; F776-M815 HydrophobicContact CB-CB 4Å; F776-M815 HydrophobicContact CB-CG 3.77Å; F776-M815 HydrophobicContact CD1-CB 3.58Å; F776-M815 HydrophobicContact CD1-CG 4.21Å; F776-M815 HydrophobicContact CE1-CB 4.16Å; F776-M815 HydrophobicContact CG-CB 3.8Å; F776-M815 HydrophobicContact CG-CG 4.16Å; P779-M815 HydrophobicContact CB-SD 3.92Å; L783-M815 HydrophobicContact CD1-CE 3.58Å; L783-M815 HydrophobicContact CD1-SD 4.43Å; A811-M815 WeakPolarHBondContact O-CB 3.47Å; A811-M815 PolarHBondContact O-N 2.96Å; F812-M815 HydrophobicContact CD2-CE 3.42Å; F812-M815 VanDerWaalsContact CD2-CE 3.42Å; F812-M815 HydrophobicContact CE2-CE 3.21Å; F812-M815 HydrophobicContact CG-CE 4.39Å; F812-M815 HydrophobicContact CZ-CE 4.06Å; F812-M815 WeakPolarHBondContact O-CB 3.36Å; F812-M815 PolarHBondContact O-N 2.85Å; M815-D817 VanDerWaalsContact C-N 3.28Å; M815-D817 PolarHBondContact O-N 3.37Å; M815-S818 PolarHBondContact O-N 3.46Å; M815-S818 VanDerWaalsContact O-N 3.16Å; M815-S818 PolarHBondContact O-OG 3.14Å; M815-M819 WeakPolarHBondContact O-CG 3.42Å; M815-M819 PolarHBondContact O-N 3.27Å |
| 816 | V | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -38.2 | 176.4 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | F812 I813 S818 M819 L820 A829 L833 L857 | F812-V816 HydrophobicContact CD1-CG2 4.27Å; F812-V816 HydrophobicContact CE1-CG2 3.82Å; F812-V816 HydrophobicContact CZ-CG2 4.19Å; F812-V816 WeakPolarHBondContact O-CG2 3.32Å; F812-V816 PolarHBondContact O-N 3.25Å; I813-V816 PolarHBondContact O-N 3.18Å; V816-S818 VanDerWaalsContact C-N 3.32Å; V816-S818 PolarHBondContact O-N 3.34Å; V816-M819 WeakPolarHBondContact O-CB 3.36Å; V816-M819 PolarHBondContact O-N 2.99Å; V816-L820 HydrophobicContact CG1-CD1 4.45Å; V816-L820 WeakPolarHBondContact O-CG 3.48Å; V816-L820 PolarHBondContact O-N 2.86Å; V816-A829 HydrophobicContact CG1-CB 4.41Å; V816-L833 HydrophobicContact CG1-CB 4.17Å; V816-L833 HydrophobicContact CG1-CD1 4.5Å; V816-L833 HydrophobicContact CG1-CD2 4.44Å; V816-L857 HydrophobicContact CB-CD2 4.5Å; V816-L857 HydrophobicContact CG1-CD1 4.36Å; V816-L857 HydrophobicContact CG1-CD2 4.1Å |
| 817 | D | 90.3 | Very high | 88.5 | Confident | 37 Ų | 37 | 26.1 Ų | 26.1 | 20% | 0.198 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 175 | -165.9 | 46.8 | 0 | 0 | 0 | 112.2 | I813 Q814 M815 L820 A821 L857 R860 | I813-D817 WeakPolarHBondContact O-CB 3.4Å; I813-D817 PolarHBondContact O-N 3.47Å; Q814-D817 WeakPolarHBondContact O-CB 3.48Å; Q814-D817 PolarHBondContact O-N 3.2Å; M815-D817 VanDerWaalsContact C-N 3.28Å; M815-D817 PolarHBondContact O-N 3.37Å; D817-L820 PolarHBondContact O-N 2.69Å; D817-A821 WeakPolarHBondContact O-CB 3.37Å; D817-A821 PolarHBondContact O-N 3.5Å; D817-L857 VanDerWaalsContact CA-CD1 3.45Å; D817-L857 HydrophobicContact CB-CD1 3.69Å; D817-L857 WeakPolarHBondContact OD1-CD1 3.45Å; D817-R860 PolarHBondContact O-NH1 2.88Å; D817-R860 IonicContact OD1-CZ 3.36Å; D817-R860 IonicContact OD1-NE 3.79Å; D817-R860 IonicContact OD1-NH1 2.74Å; D817-R860 PolarHBondContact OD1-NH1 2.93Å; D817-R860 IonicContact OD2-CZ 3.59Å; D817-R860 IonicContact OD2-NH1 2.74Å; D817-R860 PolarHBondContact OD2-NH1 2.82Å; D817-R860 IonicContact OD2-NH2 3.89Å |
| 818 | S | 89.4 | Confident | 88.9 | Confident | 43 Ų | 43 | 23.4 Ų | 23.4 | 30% | 0.301 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 175.3 | 78.5 | 0 | 0 | 0 | 0 | 112.6 | F776 Q814 M815 V816 A821 S822 | F776-S818 WeakPolarHBondContact CD2-OG 3.31Å; Q814-S818 PolarHBondContact O-N 2.83Å; M815-S818 PolarHBondContact O-N 3.46Å; M815-S818 VanDerWaalsContact O-N 3.16Å; M815-S818 PolarHBondContact O-OG 3.14Å; V816-S818 VanDerWaalsContact C-N 3.32Å; V816-S818 PolarHBondContact O-N 3.34Å; S818-A821 PolarHBondContact O-N 3.21Å; S818-S822 WeakPolarHBondContact O-CB 3.04Å; S818-S822 PolarHBondContact O-N 3.17Å |
| 819 | M | 90.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.02 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -49.6 | 174.2 | -67.5 | 177 | 71.6 | 0 | 0 | 110.6 | L780 M815 V816 A821 S822 G823 D825 L828 A829 Y832 | L780-M819 HydrophobicContact CD1-CE 3.56Å; L780-M819 HydrophobicContact CD1-CG 4.49Å; L780-M819 HydrophobicContact CD1-SD 3.67Å; L780-M819 HydrophobicContact CD2-CE 4.15Å; L780-M819 HydrophobicContact CD2-CG 4.06Å; L780-M819 HydrophobicContact CD2-SD 4.31Å; M815-M819 WeakPolarHBondContact O-CG 3.42Å; M815-M819 PolarHBondContact O-N 3.27Å; V816-M819 WeakPolarHBondContact O-CB 3.36Å; V816-M819 PolarHBondContact O-N 2.99Å; M819-A821 VanDerWaalsContact C-N 3.33Å; M819-A821 PolarHBondContact O-N 2.83Å; M819-S822 PolarHBondContact O-N 3.47Å; M819-S822 PolarHBondContact O-OG 3.25Å; M819-G823 PolarHBondContact O-N 3.39Å; M819-D825 HydrophobicContact CE-CB 3.87Å; M819-L828 HydrophobicContact CE-CB 4.18Å; M819-A829 HydrophobicContact CB-CB 4Å; M819-A829 HydrophobicContact CE-CB 3.98Å; M819-A829 HydrophobicContact SD-CB 4.34Å; M819-Y832 HydrophobicContact CE-CD2 4.45Å; M819-Y832 HydrophobicContact SD-CD2 4.5Å |
| 820 | L | 89.1 | Confident | 89.4 | Confident | 19 Ų | 19 | 25.7 Ų | 25.7 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -37.2 | 177.7 | -66.2 | -179.8 | 0 | 0 | 0 | 112.2 | V816 D817 S822 G823 F826 A829 L857 L861 | V816-L820 HydrophobicContact CG1-CD1 4.45Å; V816-L820 WeakPolarHBondContact O-CG 3.48Å; V816-L820 PolarHBondContact O-N 2.86Å; D817-L820 PolarHBondContact O-N 2.69Å; L820-S822 VanDerWaalsContact C-N 3.35Å; L820-G823 PolarHBondContact O-N 3.33Å; L820-F826 HydrophobicContact CD2-CD2 3.79Å; L820-F826 HydrophobicContact CD2-CE2 3.85Å; L820-A829 HydrophobicContact CD2-CB 3.76Å; L820-A829 HydrophobicContact CG-CB 4.24Å; L820-L857 HydrophobicContact CD1-CD1 3.71Å; L820-L857 HydrophobicContact CD1-CG 4.4Å; L820-L861 HydrophobicContact CD1-CB 4.11Å; L820-L861 HydrophobicContact CD1-CD1 4.28Å; L820-L861 HydrophobicContact CD1-CG 4.34Å |
| 821 | A | 87.8 | Confident | 89.7 | Confident | 63 Ų | 63 | 24.1 Ų | 24.1 | 52% | 0.521 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -66.2 | -35.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D817 S818 M819 G823 | D817-A821 WeakPolarHBondContact O-CB 3.37Å; D817-A821 PolarHBondContact O-N 3.5Å; S818-A821 PolarHBondContact O-N 3.21Å; M819-A821 VanDerWaalsContact C-N 3.33Å; M819-A821 PolarHBondContact O-N 2.83Å; A821-G823 PolarHBondContact O-N 3.45Å |
| 822 | S | 87.1 | Confident | 89.9 | Confident | 47 Ų | 47 | 24.3 Ų | 24.3 | 33% | 0.329 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -73.3 | -16.2 | 177.4 | 75.1 | 0 | 0 | 0 | 0 | 113.5 | Q682 S818 M819 L820 R824 | Q682-S822 PolarHBondContact NE2-O 3.35Å; Q682-S822 VanDerWaalsContact NE2-O 3.13Å; S818-S822 WeakPolarHBondContact O-CB 3.04Å; S818-S822 PolarHBondContact O-N 3.17Å; M819-S822 PolarHBondContact O-N 3.47Å; M819-S822 PolarHBondContact O-OG 3.25Å; L820-S822 VanDerWaalsContact C-N 3.35Å; S822-R824 PolarHBondContact O-N 3.33Å; S822-R824 WeakPolarHBondContact OG-CB 3.37Å; S822-R824 PolarHBondContact OG-N 3.39Å; S822-R824 VanDerWaalsContact OG-N 3.16Å |
| 823 | G | 85.8 | Confident | 90 | Very high | 9 Ų | 9 | 25 Ų | 25 | 9% | 0.093 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 6.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114 | V688 T689 M819 L820 A821 | V688-G823 CarbonylContact C-O 3.49Å; V688-G823 WeakPolarHBondContact CA-O 3.32Å; T689-G823 PolarHBondContact N-O 2.85Å; M819-G823 PolarHBondContact O-N 3.39Å; L820-G823 PolarHBondContact O-N 3.33Å; A821-G823 PolarHBondContact O-N 3.45Å |
| 824 | R | 87.3 | Confident | 90 | Very high | 108 Ų | 108 | 26.7 Ų | 26.7 | 41% | 0.408 | 15% | 0.154 | S | C | . | . | trans | -97.2 | 149.4 | -178.6 | -60 | 179.2 | -177.4 | -175.1 | -2.5 | 112 | T689 S822 F826 | T689-R824 WeakPolarHBondContact OG1-CA 3.23Å; S822-R824 PolarHBondContact O-N 3.33Å; S822-R824 WeakPolarHBondContact OG-CB 3.37Å; S822-R824 PolarHBondContact OG-N 3.39Å; S822-R824 VanDerWaalsContact OG-N 3.16Å; R824-F826 PolarHBondContact O-N 2.95Å | ||
| 825 | D | 89.7 | Confident | 90.1 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 10% | 0.096 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 51.6 | 41.6 | 175.9 | -57.6 | -76.7 | 0 | 0 | 0 | 112.8 | T689 S691 K784 M819 D827 L828 A829 | T689-D825 PolarHBondContact O-N 2.82Å; T689-D825 VanDerWaalsContact O-N 3.08Å; S691-D825 VanDerWaalsContact CA-OD1 3.31Å; S691-D825 WeakPolarHBondContact CA-OD1 3.41Å; S691-D825 WeakPolarHBondContact CB-OD1 3.49Å; K784-D825 WeakPolarHBondContact CE-OD1 3.49Å; K784-D825 WeakPolarHBondContact CE-OD2 3.41Å; K784-D825 IonicContact NZ-OD1 3.4Å; K784-D825 PolarHBondContact NZ-OD1 3.28Å; K784-D825 IonicContact NZ-OD2 2.69Å; K784-D825 PolarHBondContact NZ-OD2 2.75Å; M819-D825 HydrophobicContact CE-CB 3.87Å; D825-D827 VanDerWaalsContact C-N 3.29Å; D825-D827 PolarHBondContact O-N 2.94Å; D825-L828 HydrophobicContact CB-CB 4.2Å; D825-L828 HydrophobicContact CB-CD1 4.11Å; D825-L828 HydrophobicContact CB-CG 4.49Å; D825-L828 PolarHBondContact O-N 2.63Å; D825-A829 PolarHBondContact O-N 3.45Å |
| 826 | F | 89.6 | Confident | 90.1 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 7% | 0.066 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | -170.5 | -173.3 | -96.4 | 0 | 0 | 0 | 112.6 | V688 T689 L820 R824 A829 H830 W865 L868 | V688-F826 HydrophobicContact CG1-CB 3.31Å; V688-F826 HydrophobicContact CG1-CD1 3.91Å; V688-F826 HydrophobicContact CG1-CD2 3.63Å; V688-F826 HydrophobicContact CG1-CE2 4.34Å; V688-F826 HydrophobicContact CG1-CG 3.36Å; T689-F826 PolarHBondContact O-N 2.9Å; T689-F826 VanDerWaalsContact O-N 3.12Å; L820-F826 HydrophobicContact CD2-CD2 3.79Å; L820-F826 HydrophobicContact CD2-CE2 3.85Å; R824-F826 PolarHBondContact O-N 2.95Å; F826-A829 PolarHBondContact O-N 2.7Å; F826-H830 AromaticContact CD1-CE1 3.65Å; F826-H830 AromaticContact CD1-ND1 3.72Å; F826-H830 AromaticContact CD2-CE1 3.94Å; F826-H830 AromaticContact CE1-CE1 3.18Å; F826-H830 WeakPolarHBondContact CE1-CE1 3.36Å; F826-H830 AromaticContact CE1-ND1 3.7Å; F826-H830 AromaticContact CE1-NE2 3.82Å; F826-H830 AromaticContact CE2-CE1 3.53Å; F826-H830 AromaticContact CZ-CE1 3.13Å; F826-H830 WeakPolarHBondContact CZ-CE1 2.99Å; F826-H830 AromaticContact CZ-NE2 3.77Å; F826-H830 PolarHBondContact O-N 3.41Å; F826-H830 VanDerWaalsContact O-N 3.14Å; F826-H830 PolarHBondContact O-ND1 2.88Å; F826-W865 HydrophobicContact CE1-CE3 4.13Å; F826-L868 HydrophobicContact CD1-CD1 4.28Å; F826-L868 HydrophobicContact CE1-CD1 3.68Å; F826-L868 HydrophobicContact CZ-CD1 3.83Å |
| 827 | D | 89.9 | Confident | 90 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.1 | -43 | 173.2 | 57.6 | -30.3 | 0 | 0 | 0 | 112.8 | L690 S691 W698 D825 H830 A831 | L690-D827 HydrophobicContact CD2-CB 4.11Å; S691-D827 WeakPolarHBondContact CB-OD1 3.07Å; S691-D827 PolarHBondContact N-OD1 2.81Å; S691-D827 PolarHBondContact OG-OD1 3.18Å; S691-D827 PolarHBondContact OG-OD2 3.49Å; W698-D827 HydrophobicContact CH2-CB 4.49Å; W698-D827 HydrophobicContact CZ2-CB 4.03Å; W698-D827 PolarHBondContact NE1-OD2 3.39Å; D825-D827 VanDerWaalsContact C-N 3.29Å; D825-D827 PolarHBondContact O-N 2.94Å; D827-H830 PolarHBondContact O-N 3.19Å; D827-A831 WeakPolarHBondContact O-CB 3.49Å; D827-A831 PolarHBondContact O-N 2.86Å |
| 828 | L | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.6 | -41.7 | 176.8 | -65.9 | 176.9 | 0 | 0 | 0 | 112 | S691 M693 W698 K784 M819 D825 H830 A831 Y832 | S691-L828 WeakPolarHBondContact OG-CG 3.35Å; M693-L828 HydrophobicContact CE-CD1 3.3Å; M693-L828 HydrophobicContact CE-CD2 3.5Å; M693-L828 HydrophobicContact CE-CG 4.06Å; W698-L828 HydrophobicContact CB-CD2 3.58Å; W698-L828 HydrophobicContact CG-CD2 3.9Å; K784-L828 HydrophobicContact CG-CD1 4.44Å; M819-L828 HydrophobicContact CE-CB 4.18Å; D825-L828 HydrophobicContact CB-CB 4.2Å; D825-L828 HydrophobicContact CB-CD1 4.11Å; D825-L828 HydrophobicContact CB-CG 4.49Å; D825-L828 PolarHBondContact O-N 2.63Å; L828-H830 PolarHBondContact O-N 3.35Å; L828-A831 PolarHBondContact O-N 3.45Å; L828-Y832 HydrophobicContact CB-CD2 4.4Å; L828-Y832 HydrophobicContact CB-CE2 4.18Å; L828-Y832 VanDerWaalsContact O-CB 3.25Å; L828-Y832 WeakPolarHBondContact O-CB 3.37Å; L828-Y832 WeakPolarHBondContact O-CD2 3.4Å; L828-Y832 VanDerWaalsContact O-CG 3.26Å; L828-Y832 PolarHBondContact O-N 3.35Å |
| 829 | A | 91.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.8 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V816 M819 L820 D825 F826 L833 | V816-A829 HydrophobicContact CG1-CB 4.41Å; M819-A829 HydrophobicContact CB-CB 4Å; M819-A829 HydrophobicContact CE-CB 3.98Å; M819-A829 HydrophobicContact SD-CB 4.34Å; L820-A829 HydrophobicContact CD2-CB 3.76Å; L820-A829 HydrophobicContact CG-CB 4.24Å; D825-A829 PolarHBondContact O-N 3.45Å; F826-A829 PolarHBondContact O-N 2.7Å; A829-L833 WeakPolarHBondContact O-CB 3.33Å; A829-L833 PolarHBondContact O-N 3.35Å |
| 830 | H | 90.2 | Very high | 89.8 | Confident | 49 Ų | 49 | 31.3 Ų | 31.3 | 23% | 0.227 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.3 | -44.7 | 176.4 | -74.8 | 69.8 | 0 | 0 | 0 | 112.6 | F826 D827 L828 A834 L861 | F826-H830 AromaticContact CD1-CE1 3.65Å; F826-H830 AromaticContact CD1-ND1 3.72Å; F826-H830 AromaticContact CD2-CE1 3.94Å; F826-H830 AromaticContact CE1-CE1 3.18Å; F826-H830 WeakPolarHBondContact CE1-CE1 3.36Å; F826-H830 AromaticContact CE1-ND1 3.7Å; F826-H830 AromaticContact CE1-NE2 3.82Å; F826-H830 AromaticContact CE2-CE1 3.53Å; F826-H830 AromaticContact CZ-CE1 3.13Å; F826-H830 WeakPolarHBondContact CZ-CE1 2.99Å; F826-H830 AromaticContact CZ-NE2 3.77Å; F826-H830 PolarHBondContact O-N 3.41Å; F826-H830 VanDerWaalsContact O-N 3.14Å; F826-H830 PolarHBondContact O-ND1 2.88Å; D827-H830 PolarHBondContact O-N 3.19Å; L828-H830 PolarHBondContact O-N 3.35Å; H830-A834 WeakPolarHBondContact O-CB 3.19Å; H830-A834 PolarHBondContact O-N 2.94Å; H830-L861 WeakPolarHBondContact NE2-CG 3.3Å |
| 831 | A | 91.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W698 L701 D827 L828 L835 | W698-A831 HydrophobicContact CB-CB 3.83Å; W698-A831 HydrophobicContact CE3-CB 4.17Å; L701-A831 HydrophobicContact CD1-CB 4.48Å; D827-A831 WeakPolarHBondContact O-CB 3.49Å; D827-A831 PolarHBondContact O-N 2.86Å; L828-A831 PolarHBondContact O-N 3.45Å; A831-L835 WeakPolarHBondContact O-CB 3.39Å; A831-L835 PolarHBondContact O-N 2.93Å |
| 832 | Y | 92.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.2 | -45.8 | 175.6 | -71.7 | -18.3 | 0 | 0 | 0 | 111.5 | L701 L780 L783 V791 M819 L828 A834 L835 F836 | L701-Y832 HydrophobicContact CD1-CD1 3.9Å; L701-Y832 HydrophobicContact CD1-CE1 3.79Å; L780-Y832 HydrophobicContact CD1-CE2 4.2Å; L783-Y832 HydrophobicContact CB-CE2 4.34Å; L783-Y832 HydrophobicContact CD1-CE2 4.33Å; L783-Y832 PolarHBondContact O-OH 2.82Å; V791-Y832 HydrophobicContact CG1-CD1 4.07Å; V791-Y832 HydrophobicContact CG1-CE1 3.74Å; V791-Y832 HydrophobicContact CG2-CE1 4.45Å; M819-Y832 HydrophobicContact CE-CD2 4.45Å; M819-Y832 HydrophobicContact SD-CD2 4.5Å; L828-Y832 HydrophobicContact CB-CD2 4.4Å; L828-Y832 HydrophobicContact CB-CE2 4.18Å; L828-Y832 VanDerWaalsContact O-CB 3.25Å; L828-Y832 WeakPolarHBondContact O-CB 3.37Å; L828-Y832 WeakPolarHBondContact O-CD2 3.4Å; L828-Y832 VanDerWaalsContact O-CG 3.26Å; L828-Y832 PolarHBondContact O-N 3.35Å; Y832-A834 PolarHBondContact O-N 2.96Å; Y832-L835 PolarHBondContact O-N 2.97Å; Y832-F836 WeakPolarHBondContact O-CB 3.49Å; Y832-F836 PolarHBondContact O-N 2.83Å |
| 833 | L | 92.3 | Very high | 89.5 | Confident | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.073 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 175 | -176.2 | 61.1 | 0 | 0 | 0 | 111.4 | V816 A829 L835 F836 L837 L854 L857 L861 | V816-L833 HydrophobicContact CG1-CB 4.17Å; V816-L833 HydrophobicContact CG1-CD1 4.5Å; V816-L833 HydrophobicContact CG1-CD2 4.44Å; A829-L833 WeakPolarHBondContact O-CB 3.33Å; A829-L833 PolarHBondContact O-N 3.35Å; L833-L835 PolarHBondContact O-N 3.25Å; L833-F836 HydrophobicContact CD1-CD1 4.47Å; L833-F836 PolarHBondContact O-N 2.85Å; L833-L837 HydrophobicContact CD1-CD1 4.23Å; L833-L837 HydrophobicContact CD1-CG 4.17Å; L833-L837 HydrophobicContact CG-CD1 4.01Å; L833-L837 HydrophobicContact CG-CG 4.36Å; L833-L837 WeakPolarHBondContact O-CB 3.31Å; L833-L837 VanDerWaalsContact O-CG 3.26Å; L833-L837 WeakPolarHBondContact O-CG 3.31Å; L833-L837 PolarHBondContact O-N 2.94Å; L833-L854 HydrophobicContact CD1-CD2 4.43Å; L833-L857 HydrophobicContact CD1-CD2 3.79Å; L833-L857 HydrophobicContact CD2-CD2 3.88Å; L833-L857 HydrophobicContact CG-CD2 4.5Å; L833-L861 HydrophobicContact CD2-CD1 3.6Å |
| 834 | A | 91.8 | Very high | 89.5 | Confident | 39 Ų | 39 | 42.7 Ų | 42.7 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.3 | -38.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L702 H830 Y832 K838 | L702-A834 HydrophobicContact CD2-CB 3.65Å; H830-A834 WeakPolarHBondContact O-CB 3.19Å; H830-A834 PolarHBondContact O-N 2.94Å; Y832-A834 PolarHBondContact O-N 2.96Å; A834-K838 VanDerWaalsContact O-CB 3.32Å; A834-K838 WeakPolarHBondContact O-CB 3.25Å; A834-K838 PolarHBondContact O-N 2.93Å |
| 835 | L | 91.2 | Very high | 89.4 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -43.3 | 172.7 | 179.5 | 58.9 | 0 | 0 | 0 | 111.7 | L701 V791 L795 A831 Y832 L833 K838 L839 | L701-L835 HydrophobicContact CB-CD2 4.12Å; L701-L835 HydrophobicContact CD2-CD2 4.05Å; V791-L835 HydrophobicContact CG1-CD2 4.45Å; L795-L835 HydrophobicContact CD1-CB 4.29Å; L795-L835 HydrophobicContact CD1-CD2 3.69Å; L795-L835 HydrophobicContact CD1-CG 3.92Å; A831-L835 WeakPolarHBondContact O-CB 3.39Å; A831-L835 PolarHBondContact O-N 2.93Å; Y832-L835 PolarHBondContact O-N 2.97Å; L833-L835 PolarHBondContact O-N 3.25Å; L835-K838 WeakPolarHBondContact O-CB 3.32Å; L835-K838 PolarHBondContact O-N 3.19Å; L835-L839 HydrophobicContact CD1-CD1 4.08Å; L835-L839 HydrophobicContact CD1-CG 4.21Å; L835-L839 HydrophobicContact CG-CD1 4.07Å; L835-L839 WeakPolarHBondContact O-CG 3.35Å; L835-L839 PolarHBondContact O-N 3.36Å |
| 836 | F | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 177.4 | 174.6 | -98.8 | 0 | 0 | 0 | 111.9 | L798 L809 F812 I813 Y832 L833 K838 L839 H840 L844 | L798-F836 HydrophobicContact CD1-CD2 4.13Å; L798-F836 HydrophobicContact CD1-CE2 3.99Å; L809-F836 HydrophobicContact CB-CZ 4.33Å; L809-F836 HydrophobicContact CD2-CE2 3.68Å; L809-F836 HydrophobicContact CD2-CZ 3.93Å; F812-F836 HydrophobicContact CB-CE2 4.22Å; F812-F836 HydrophobicContact CD1-CB 4.16Å; F812-F836 HydrophobicContact CD1-CD1 4.11Å; F812-F836 AromaticContact CD1-CD2 3.28Å; F812-F836 HydrophobicContact CD1-CD2 3.28Å; F812-F836 HydrophobicContact CD1-CE1 4.32Å; F812-F836 AromaticContact CD1-CE2 3.55Å; F812-F836 HydrophobicContact CD1-CE2 3.55Å; F812-F836 AromaticContact CD1-CG 3.59Å; F812-F836 HydrophobicContact CD1-CG 3.59Å; F812-F836 HydrophobicContact CD1-CZ 4.07Å; F812-F836 HydrophobicContact CE1-CB 3.53Å; F812-F836 HydrophobicContact CE1-CD1 4.24Å; F812-F836 AromaticContact CE1-CD2 3.52Å; F812-F836 HydrophobicContact CE1-CD2 3.52Å; F812-F836 HydrophobicContact CE1-CE2 4.26Å; F812-F836 AromaticContact CE1-CG 3.51Å; F812-F836 HydrophobicContact CE1-CG 3.51Å; F812-F836 HydrophobicContact CG-CD2 4.07Å; F812-F836 HydrophobicContact CG-CE2 4.09Å; F812-F836 HydrophobicContact CZ-CB 4.33Å; F812-F836 HydrophobicContact CZ-CD2 4.44Å; I813-F836 HydrophobicContact CD1-CE1 4.08Å; I813-F836 HydrophobicContact CD1-CZ 4.22Å; I813-F836 HydrophobicContact CG1-CE1 3.74Å; I813-F836 HydrophobicContact CG1-CZ 3.99Å; Y832-F836 WeakPolarHBondContact O-CB 3.49Å; Y832-F836 PolarHBondContact O-N 2.83Å; L833-F836 HydrophobicContact CD1-CD1 4.47Å; L833-F836 PolarHBondContact O-N 2.85Å; F836-K838 PolarHBondContact O-N 2.82Å; F836-L839 PolarHBondContact O-N 3.29Å; F836-H840 AromaticContact CD2-CD2 3.58Å; F836-H840 AromaticContact CE2-CD2 3.64Å; F836-H840 PolarHBondContact O-N 3.13Å; F836-L844 HydrophobicContact CD1-CD1 4.32Å; F836-L844 HydrophobicContact CE1-CD1 3.68Å; F836-L844 HydrophobicContact CE1-CD2 4.26Å; F836-L844 HydrophobicContact CZ-CD1 4.23Å; F836-L844 HydrophobicContact CZ-CD2 4.24Å |
| 837 | L | 90.6 | Very high | 88.9 | Confident | 60 Ų | 60 | 50 Ų | 50 | 31% | 0.314 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 175 | -69.5 | 174 | 0 | 0 | 0 | 111.3 | L833 L839 H840 L841 L844 L854 | L833-L837 HydrophobicContact CD1-CD1 4.23Å; L833-L837 HydrophobicContact CD1-CG 4.17Å; L833-L837 HydrophobicContact CG-CD1 4.01Å; L833-L837 HydrophobicContact CG-CG 4.36Å; L833-L837 WeakPolarHBondContact O-CB 3.31Å; L833-L837 VanDerWaalsContact O-CG 3.26Å; L833-L837 WeakPolarHBondContact O-CG 3.31Å; L833-L837 PolarHBondContact O-N 2.94Å; L837-L839 PolarHBondContact O-N 2.94Å; L837-H840 PolarHBondContact O-N 3.35Å; L837-L841 VanDerWaalsContact O-CB 3.31Å; L837-L841 WeakPolarHBondContact O-CB 3.46Å; L837-L841 PolarHBondContact O-N 2.86Å; L837-L841 VanDerWaalsContact O-N 3.13Å; L837-L844 HydrophobicContact CD2-CD1 4.14Å; L837-L854 HydrophobicContact CD2-CD1 4.4Å; L837-L854 HydrophobicContact CD2-CD2 4.37Å |
| 838 | K | 89.7 | Confident | 88.6 | Confident | 108 Ų | 108 | 53 Ų | 53 | 47% | 0.47 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.4 | -35.4 | 176.6 | -175.2 | -173.6 | 173 | -159.4 | 0 | 112.4 | L702 D705 A834 L835 F836 | L702-K838 PolarHBondContact O-NZ 3.2Å; L702-K838 VanDerWaalsContact O-NZ 3.07Å; D705-K838 IonicContact OD2-NZ 3.87Å; D705-K838 PolarHBondContact OD2-NZ 3.29Å; D705-K838 VanDerWaalsContact OD2-NZ 3.09Å; A834-K838 VanDerWaalsContact O-CB 3.32Å; A834-K838 WeakPolarHBondContact O-CB 3.25Å; A834-K838 PolarHBondContact O-N 2.93Å; L835-K838 WeakPolarHBondContact O-CB 3.32Å; L835-K838 PolarHBondContact O-N 3.19Å; F836-K838 PolarHBondContact O-N 2.82Å |
| 839 | L | 87.6 | Confident | 88.4 | Confident | 69 Ų | 69 | 57 Ų | 57 | 36% | 0.361 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -82.8 | -43.9 | -178.9 | -66.9 | 171.2 | 0 | 0 | 0 | 112.7 | L795 L835 F836 L837 | L795-L839 HydrophobicContact CB-CD1 3.9Å; L835-L839 HydrophobicContact CD1-CD1 4.08Å; L835-L839 HydrophobicContact CD1-CG 4.21Å; L835-L839 HydrophobicContact CG-CD1 4.07Å; L835-L839 WeakPolarHBondContact O-CG 3.35Å; L835-L839 PolarHBondContact O-N 3.36Å; F836-L839 PolarHBondContact O-N 3.29Å; L837-L839 PolarHBondContact O-N 2.94Å |
| 840 | H | 88.4 | Confident | 88 | Confident | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -112.5 | 6.8 | -163.9 | -60.5 | -54.6 | 0 | 0 | 0 | 115.8 | L795 T799 F836 L837 R842 T843 L844 | L795-H840 PolarHBondContact O-CE1 3.11Å; L795-H840 PolarHBondContact O-NE2 2.98Å; T799-H840 VanDerWaalsContact CG2-CE1 3.44Å; T799-H840 WeakPolarHBondContact CG2-CE1 3.38Å; T799-H840 WeakPolarHBondContact CG2-ND1 3.29Å; F836-H840 AromaticContact CD2-CD2 3.58Å; F836-H840 AromaticContact CE2-CD2 3.64Å; F836-H840 PolarHBondContact O-N 3.13Å; L837-H840 PolarHBondContact O-N 3.35Å; H840-R842 PolarHBondContact O-N 3.1Å; H840-R842 VanDerWaalsContact O-N 3.08Å; H840-T843 PolarHBondContact O-N 3.18Å; H840-L844 HydrophobicContact CB-CD1 3.97Å; H840-L844 HydrophobicContact CB-CG 4.18Å; H840-L844 WeakPolarHBondContact O-CG 3.48Å; H840-L844 PolarHBondContact O-N 3.3Å |
| 841 | L | 86.9 | Confident | 87.8 | Confident | 113 Ų | 113 | 58.9 Ų | 58.9 | 59% | 0.592 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -49.5 | -41.5 | -175.2 | -172 | 64.8 | 0 | 0 | 0 | 114.2 | L837 S845 | L837-L841 VanDerWaalsContact O-CB 3.31Å; L837-L841 WeakPolarHBondContact O-CB 3.46Å; L837-L841 PolarHBondContact O-N 2.86Å; L837-L841 VanDerWaalsContact O-N 3.13Å; L841-S845 WeakPolarHBondContact O-CB 3.37Å; L841-S845 PolarHBondContact O-N 3.25Å; L841-S845 VanDerWaalsContact O-N 3.07Å |
| 842 | R | 86.9 | Confident | 87.6 | Confident | 212 Ų | 212 | 65.6 Ų | 65.6 | 80% | 0.8 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.9 | -45.6 | -178.8 | -67.2 | -178 | -179.1 | 175.2 | 0 | 111.6 | H840 S845 | H840-R842 PolarHBondContact O-N 3.1Å; H840-R842 VanDerWaalsContact O-N 3.08Å; R842-S845 PolarHBondContact O-N 3.11Å; R842-S845 PolarHBondContact O-OG 3.11Å |
| 843 | T | 84.2 | Confident | 87.2 | Confident | 48 Ų | 48 | 67.1 Ų | 67.1 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 179.3 | -44.5 | 0 | 0 | 0 | 0 | 110.9 | T799 L809 H840 S845 Q846 | T799-T843 HydrophobicContact CG2-CG2 4.4Å; L809-T843 HydrophobicContact CD1-CG2 4.27Å; H840-T843 PolarHBondContact O-N 3.18Å; T843-S845 VanDerWaalsContact C-N 3.32Å; T843-S845 PolarHBondContact O-N 3.31Å; T843-Q846 PolarHBondContact O-N 3.03Å |
| 844 | L | 84.9 | Confident | 87 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 177.5 | -68.6 | 165.2 | 0 | 0 | 0 | 112.5 | I813 F836 L837 H840 Q846 D847 A850 L854 | I813-L844 HydrophobicContact CD1-CD2 4.09Å; F836-L844 HydrophobicContact CD1-CD1 4.32Å; F836-L844 HydrophobicContact CE1-CD1 3.68Å; F836-L844 HydrophobicContact CE1-CD2 4.26Å; F836-L844 HydrophobicContact CZ-CD1 4.23Å; F836-L844 HydrophobicContact CZ-CD2 4.24Å; L837-L844 HydrophobicContact CD2-CD1 4.14Å; H840-L844 HydrophobicContact CB-CD1 3.97Å; H840-L844 HydrophobicContact CB-CG 4.18Å; H840-L844 WeakPolarHBondContact O-CG 3.48Å; H840-L844 PolarHBondContact O-N 3.3Å; L844-Q846 PolarHBondContact O-N 3.43Å; L844-D847 PolarHBondContact O-N 3.35Å; L844-A850 HydrophobicContact CD2-CB 3.84Å; L844-L854 HydrophobicContact CB-CD1 4.32Å; L844-L854 HydrophobicContact CD1-CD1 3.97Å; L844-L854 HydrophobicContact CD2-CD1 4.08Å; L844-L854 HydrophobicContact CG-CD1 4.34Å |
| 845 | S | 85.1 | Confident | 86.8 | Confident | 88 Ų | 88 | 70.7 Ų | 70.7 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -18.5 | 178.3 | 72.7 | 0 | 0 | 0 | 0 | 114.5 | L841 R842 T843 | L841-S845 WeakPolarHBondContact O-CB 3.37Å; L841-S845 PolarHBondContact O-N 3.25Å; L841-S845 VanDerWaalsContact O-N 3.07Å; R842-S845 PolarHBondContact O-N 3.11Å; R842-S845 PolarHBondContact O-OG 3.11Å; T843-S845 VanDerWaalsContact C-N 3.32Å; T843-S845 PolarHBondContact O-N 3.31Å |
| 846 | Q | 85.8 | Confident | 86.7 | Confident | 166 Ų | 166 | 79.2 Ų | 79.2 | 78% | 0.776 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -18.5 | 179.9 | -65 | 175.4 | -2.2 | 0 | 0 | 112.3 | T843 L844 | T843-Q846 PolarHBondContact O-N 3.03Å; L844-Q846 PolarHBondContact O-N 3.43Å |
| 847 | D | 84.1 | Confident | 86.6 | Confident | 41 Ų | 41 | 79.4 Ų | 79.4 | 22% | 0.219 | 40% | 0.4 | C | S | . | . | trans | -100 | 107.9 | -179.5 | -171.3 | -17.4 | 0 | 0 | 0 | 110.8 | L844 V849 A850 M851 | L844-D847 PolarHBondContact O-N 3.35Å; D847-V849 VanDerWaalsContact C-N 3.28Å; D847-V849 PolarHBondContact O-N 2.74Å; D847-V849 PolarHBondContact OD1-N 3.03Å; D847-A850 HydrophobicContact CB-CB 4.04Å; D847-A850 PolarHBondContact OD1-N 2.85Å; D847-M851 WeakPolarHBondContact O-CB 3.38Å; D847-M851 PolarHBondContact O-N 3.47Å; D847-M851 VanDerWaalsContact O-N 3.11Å | ||
| 848 | A | 84.1 | Confident | 86.6 | Confident | 81 Ų | 81 | 78.8 Ų | 78.8 | 67% | 0.669 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.5 | -33.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | E852 | A848-E852 PolarHBondContact O-N 3.45Å; A848-E852 VanDerWaalsContact O-N 3.12Å |
| 849 | V | 85.7 | Confident | 86.5 | Confident | 84 Ų | 84 | 76.9 Ų | 76.9 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -75.3 | -45.5 | -176 | -178 | 0 | 0 | 0 | 0 | 110.4 | L810 D847 M851 E852 T853 | L810-V849 HydrophobicContact CD1-CG1 3.81Å; D847-V849 VanDerWaalsContact C-N 3.28Å; D847-V849 PolarHBondContact O-N 2.74Å; D847-V849 PolarHBondContact OD1-N 3.03Å; V849-M851 VanDerWaalsContact C-N 3.29Å; V849-M851 PolarHBondContact O-N 2.98Å; V849-E852 PolarHBondContact O-N 2.67Å; V849-T853 PolarHBondContact O-N 2.9Å; V849-T853 VanDerWaalsContact O-N 3.16Å |
| 850 | A | 82.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.008 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I813 L844 D847 T853 L854 | I813-A850 HydrophobicContact CD1-CB 4.36Å; L844-A850 HydrophobicContact CD2-CB 3.84Å; D847-A850 HydrophobicContact CB-CB 4.04Å; D847-A850 PolarHBondContact OD1-N 2.85Å; A850-T853 PolarHBondContact O-N 3.49Å; A850-T853 PolarHBondContact O-OG1 3.07Å; A850-L854 WeakPolarHBondContact O-CG 3.37Å; A850-L854 PolarHBondContact O-N 3.13Å |
| 851 | M | 85.5 | Confident | 86.4 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 43% | 0.433 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 178.2 | -166.9 | 65 | -174.7 | 0 | 0 | 112.8 | D847 V849 L854 L855 | D847-M851 WeakPolarHBondContact O-CB 3.38Å; D847-M851 PolarHBondContact O-N 3.47Å; D847-M851 VanDerWaalsContact O-N 3.11Å; V849-M851 VanDerWaalsContact C-N 3.29Å; V849-M851 PolarHBondContact O-N 2.98Å; M851-L854 PolarHBondContact O-N 3.07Å; M851-L855 WeakPolarHBondContact O-CG 3.33Å; M851-L855 PolarHBondContact O-N 2.77Å |
| 852 | E | 87.4 | Confident | 86.5 | Confident | 145 Ų | 145 | 80.3 Ų | 80.3 | 68% | 0.678 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 174.1 | -171.8 | 179 | 176.8 | 0 | 0 | 111.6 | A848 V849 L854 L855 R856 | A848-E852 PolarHBondContact O-N 3.45Å; A848-E852 VanDerWaalsContact O-N 3.12Å; V849-E852 PolarHBondContact O-N 2.67Å; E852-L854 VanDerWaalsContact C-N 3.34Å; E852-L854 PolarHBondContact O-N 3.03Å; E852-L855 PolarHBondContact O-N 2.75Å; E852-R856 PolarHBondContact O-N 3.34Å; E852-R856 VanDerWaalsContact O-N 3.13Å |
| 853 | T | 85.8 | Confident | 86.4 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 22% | 0.215 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.2 | -35.3 | 176.3 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | L810 V849 A850 R856 L857 | L810-T853 HydrophobicContact CD1-CG2 3.9Å; V849-T853 PolarHBondContact O-N 2.9Å; V849-T853 VanDerWaalsContact O-N 3.16Å; A850-T853 PolarHBondContact O-N 3.49Å; A850-T853 PolarHBondContact O-OG1 3.07Å; T853-R856 WeakPolarHBondContact O-CB 3.44Å; T853-R856 PolarHBondContact O-N 2.76Å; T853-L857 PolarHBondContact O-N 2.8Å |
| 854 | L | 87.8 | Confident | 86.3 | Confident | 22 Ų | 22 | 71.9 Ų | 71.9 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 174.9 | -77.3 | 170.5 | 0 | 0 | 0 | 112.7 | I813 L833 L837 L844 A850 M851 E852 R856 L857 S858 | I813-L854 HydrophobicContact CD1-CD1 4.23Å; I813-L854 HydrophobicContact CD1-CD2 3.91Å; I813-L854 HydrophobicContact CD1-CG 3.79Å; I813-L854 HydrophobicContact CG1-CD2 3.88Å; I813-L854 HydrophobicContact CG1-CG 4.32Å; I813-L854 HydrophobicContact CG2-CD2 4.08Å; I813-L854 HydrophobicContact CG2-CG 4.46Å; L833-L854 HydrophobicContact CD1-CD2 4.43Å; L837-L854 HydrophobicContact CD2-CD1 4.4Å; L837-L854 HydrophobicContact CD2-CD2 4.37Å; L844-L854 HydrophobicContact CB-CD1 4.32Å; L844-L854 HydrophobicContact CD1-CD1 3.97Å; L844-L854 HydrophobicContact CD2-CD1 4.08Å; L844-L854 HydrophobicContact CG-CD1 4.34Å; A850-L854 WeakPolarHBondContact O-CG 3.37Å; A850-L854 PolarHBondContact O-N 3.13Å; M851-L854 PolarHBondContact O-N 3.07Å; E852-L854 VanDerWaalsContact C-N 3.34Å; E852-L854 PolarHBondContact O-N 3.03Å; L854-R856 VanDerWaalsContact C-N 3.28Å; L854-R856 PolarHBondContact O-N 2.82Å; L854-L857 HydrophobicContact CD2-CD2 4.35Å; L854-L857 WeakPolarHBondContact O-CB 3.28Å; L854-L857 PolarHBondContact O-N 3.31Å; L854-S858 PolarHBondContact O-N 2.93Å |
| 855 | L | 88.1 | Confident | 86.5 | Confident | 106 Ų | 106 | 77 Ų | 77 | 56% | 0.555 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.2 | -34 | 174.4 | -72.5 | 171.1 | 0 | 0 | 0 | 111.7 | M851 E852 S858 S859 | M851-L855 WeakPolarHBondContact O-CG 3.33Å; M851-L855 PolarHBondContact O-N 2.77Å; E852-L855 PolarHBondContact O-N 2.75Å; L855-S858 PolarHBondContact O-OG 3.24Å; L855-S859 PolarHBondContact O-N 2.88Å |
| 856 | R | 87.3 | Confident | 86.7 | Confident | 186 Ų | 186 | 75.4 Ų | 75.4 | 70% | 0.702 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.2 | -46.1 | 172.1 | -163 | 179.6 | -159.2 | 171.6 | 5.4 | 111.3 | E852 T853 L854 S858 S859 | E852-R856 PolarHBondContact O-N 3.34Å; E852-R856 VanDerWaalsContact O-N 3.13Å; T853-R856 WeakPolarHBondContact O-CB 3.44Å; T853-R856 PolarHBondContact O-N 2.76Å; L854-R856 VanDerWaalsContact C-N 3.28Å; L854-R856 PolarHBondContact O-N 2.82Å; R856-S858 VanDerWaalsContact C-N 3.32Å; R856-S858 PolarHBondContact O-N 2.89Å; R856-S859 PolarHBondContact O-N 2.92Å; R856-S859 PolarHBondContact O-OG 2.96Å |
| 857 | L | 90.3 | Very high | 86.7 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 176.7 | -176.2 | 69.8 | 0 | 0 | 0 | 111.9 | I813 V816 D817 L820 L833 T853 L854 S859 R860 L861 | I813-L857 HydrophobicContact CG2-CD2 4.24Å; V816-L857 HydrophobicContact CB-CD2 4.5Å; V816-L857 HydrophobicContact CG1-CD1 4.36Å; V816-L857 HydrophobicContact CG1-CD2 4.1Å; D817-L857 VanDerWaalsContact CA-CD1 3.45Å; D817-L857 HydrophobicContact CB-CD1 3.69Å; D817-L857 WeakPolarHBondContact OD1-CD1 3.45Å; L820-L857 HydrophobicContact CD1-CD1 3.71Å; L820-L857 HydrophobicContact CD1-CG 4.4Å; L833-L857 HydrophobicContact CD1-CD2 3.79Å; L833-L857 HydrophobicContact CD2-CD2 3.88Å; L833-L857 HydrophobicContact CG-CD2 4.5Å; T853-L857 PolarHBondContact O-N 2.8Å; L854-L857 HydrophobicContact CD2-CD2 4.35Å; L854-L857 WeakPolarHBondContact O-CB 3.28Å; L854-L857 PolarHBondContact O-N 3.31Å; L857-S859 VanDerWaalsContact C-N 3.33Å; L857-S859 PolarHBondContact O-N 3.43Å; L857-R860 PolarHBondContact O-N 3.01Å; L857-L861 PolarHBondContact O-N 2.65Å |
| 858 | S | 89.9 | Confident | 86.9 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | -179 | 72.6 | 0 | 0 | 0 | 0 | 111.9 | L854 L855 R856 R860 L861 E862 | L854-S858 PolarHBondContact O-N 2.93Å; L855-S858 PolarHBondContact O-OG 3.24Å; R856-S858 VanDerWaalsContact C-N 3.32Å; R856-S858 PolarHBondContact O-N 2.89Å; S858-R860 VanDerWaalsContact C-N 3.29Å; S858-R860 PolarHBondContact O-N 2.84Å; S858-L861 PolarHBondContact O-N 2.99Å; S858-E862 WeakPolarHBondContact O-CB 3.41Å; S858-E862 WeakPolarHBondContact O-CG 3.46Å; S858-E862 PolarHBondContact O-N 2.85Å |
| 859 | S | 88.1 | Confident | 87.3 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 176.8 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | L855 R856 L857 S863 | L855-S859 PolarHBondContact O-N 2.88Å; R856-S859 PolarHBondContact O-N 2.92Å; R856-S859 PolarHBondContact O-OG 2.96Å; L857-S859 VanDerWaalsContact C-N 3.33Å; L857-S859 PolarHBondContact O-N 3.43Å; S859-S863 PolarHBondContact O-N 2.74Å; S859-S863 VanDerWaalsContact O-N 3.11Å; S859-S863 PolarHBondContact O-OG 3.16Å |
| 860 | R | 85.4 | Confident | 87.6 | Confident | 95 Ų | 95 | 73.6 Ų | 73.6 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -75.1 | -37.3 | 177.8 | -173.6 | 179.5 | -73.2 | 166.4 | 3.1 | 112.2 | D817 L857 S858 S863 G864 | D817-R860 PolarHBondContact O-NH1 2.88Å; D817-R860 IonicContact OD1-CZ 3.36Å; D817-R860 IonicContact OD1-NE 3.79Å; D817-R860 IonicContact OD1-NH1 2.74Å; D817-R860 PolarHBondContact OD1-NH1 2.93Å; D817-R860 IonicContact OD2-CZ 3.59Å; D817-R860 IonicContact OD2-NH1 2.74Å; D817-R860 PolarHBondContact OD2-NH1 2.82Å; D817-R860 IonicContact OD2-NH2 3.89Å; L857-R860 PolarHBondContact O-N 3.01Å; S858-R860 VanDerWaalsContact C-N 3.29Å; S858-R860 PolarHBondContact O-N 2.84Å; R860-S863 PolarHBondContact O-OG 3.21Å; R860-G864 PolarHBondContact O-N 3.18Å |
| 861 | L | 88.1 | Confident | 88 | Confident | 37 Ų | 37 | 76.7 Ų | 76.7 | 19% | 0.194 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 175.4 | -166.8 | 157.5 | 0 | 0 | 0 | 110.6 | L820 H830 L833 L857 S858 G864 W865 | L820-L861 HydrophobicContact CD1-CB 4.11Å; L820-L861 HydrophobicContact CD1-CD1 4.28Å; L820-L861 HydrophobicContact CD1-CG 4.34Å; H830-L861 WeakPolarHBondContact NE2-CG 3.3Å; L833-L861 HydrophobicContact CD2-CD1 3.6Å; L857-L861 PolarHBondContact O-N 2.65Å; S858-L861 PolarHBondContact O-N 2.99Å; L861-G864 PolarHBondContact O-N 3.25Å; L861-W865 VanDerWaalsContact O-CB 3.27Å; L861-W865 WeakPolarHBondContact O-CB 3.41Å; L861-W865 PolarHBondContact O-N 3.05Å |
| 862 | E | 88.6 | Confident | 88.4 | Confident | 131 Ų | 131 | 77.9 Ų | 77.9 | 61% | 0.612 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.1 | -43.5 | 177.1 | -76 | 176.2 | -174.8 | 0 | 0 | 112.1 | S858 A866 | S858-E862 WeakPolarHBondContact O-CB 3.41Å; S858-E862 WeakPolarHBondContact O-CG 3.46Å; S858-E862 PolarHBondContact O-N 2.85Å; E862-A866 WeakPolarHBondContact O-CB 3.5Å; E862-A866 PolarHBondContact O-N 2.83Å |
| 863 | S | 85.7 | Confident | 88.7 | Confident | 64 Ų | 64 | 74.9 Ų | 74.9 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 176.9 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | S859 R860 W865 A866 E867 | S859-S863 PolarHBondContact O-N 2.74Å; S859-S863 VanDerWaalsContact O-N 3.11Å; S859-S863 PolarHBondContact O-OG 3.16Å; R860-S863 PolarHBondContact O-OG 3.21Å; S863-W865 PolarHBondContact O-N 2.96Å; S863-A866 PolarHBondContact O-N 3Å; S863-E867 PolarHBondContact O-N 3.18Å |
| 864 | G | 82.7 | Confident | 89.2 | Confident | 19 Ų | 19 | 79.4 Ų | 79.4 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R860 L861 L868 | R860-G864 PolarHBondContact O-N 3.18Å; L861-G864 PolarHBondContact O-N 3.25Å; G864-L868 WeakPolarHBondContact O-CG 3.32Å; G864-L868 PolarHBondContact O-N 3.26Å |
| 865 | W | 88.3 | Confident | 89.6 | Confident | 111 Ų | 111 | 81.2 Ų | 81.2 | 42% | 0.42 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -74 | -37 | 177 | -177.7 | -109.3 | 0 | 0 | 0 | 112.9 | F826 L861 S863 E867 L868 Q869 | F826-W865 HydrophobicContact CE1-CE3 4.13Å; L861-W865 VanDerWaalsContact O-CB 3.27Å; L861-W865 WeakPolarHBondContact O-CB 3.41Å; L861-W865 PolarHBondContact O-N 3.05Å; S863-W865 PolarHBondContact O-N 2.96Å; W865-E867 VanDerWaalsContact C-N 3.32Å; W865-E867 PolarHBondContact O-N 2.88Å; W865-L868 HydrophobicContact CE3-CB 4.42Å; W865-L868 HydrophobicContact CE3-CD1 4.35Å; W865-L868 PolarHBondContact O-N 3.11Å; W865-Q869 WeakPolarHBondContact O-CB 3.27Å; W865-Q869 PolarHBondContact O-N 2.94Å |
| 866 | A | 89.3 | Confident | 89.9 | Confident | 53 Ų | 53 | 81.3 Ų | 81.3 | 44% | 0.438 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | E862 S863 Q869 A870 | E862-A866 WeakPolarHBondContact O-CB 3.5Å; E862-A866 PolarHBondContact O-N 2.83Å; S863-A866 PolarHBondContact O-N 3Å; A866-Q869 PolarHBondContact O-N 2.82Å; A866-A870 VanDerWaalsContact O-CB 3.28Å; A866-A870 WeakPolarHBondContact O-CB 3.11Å; A866-A870 PolarHBondContact O-N 3.29Å |
| 867 | E | 86.4 | Confident | 90.3 | Very high | 147 Ų | 147 | 76.2 Ų | 76.2 | 69% | 0.687 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.2 | -49.2 | 175.3 | -70.4 | 178.3 | -176.1 | 0 | 0 | 111.5 | S863 W865 Q869 A870 S871 | S863-E867 PolarHBondContact O-N 3.18Å; W865-E867 VanDerWaalsContact C-N 3.32Å; W865-E867 PolarHBondContact O-N 2.88Å; E867-Q869 PolarHBondContact O-N 3.12Å; E867-A870 PolarHBondContact O-N 3.15Å; E867-S871 PolarHBondContact O-N 3.28Å; E867-S871 VanDerWaalsContact O-N 3.1Å |
| 868 | L | 88.6 | Confident | 90.6 | Very high | 43 Ų | 43 | 80.8 Ų | 80.8 | 23% | 0.225 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.8 | -70.9 | 174 | 0 | 0 | 0 | 112 | V688 F826 G864 W865 S871 F872 | V688-L868 HydrophobicContact CB-CD1 4.4Å; V688-L868 HydrophobicContact CB-CD2 4.45Å; V688-L868 HydrophobicContact CG1-CD1 4.24Å; V688-L868 HydrophobicContact CG2-CD1 4.21Å; V688-L868 HydrophobicContact CG2-CD2 4.43Å; F826-L868 HydrophobicContact CD1-CD1 4.28Å; F826-L868 HydrophobicContact CE1-CD1 3.68Å; F826-L868 HydrophobicContact CZ-CD1 3.83Å; G864-L868 WeakPolarHBondContact O-CG 3.32Å; G864-L868 PolarHBondContact O-N 3.26Å; W865-L868 HydrophobicContact CE3-CB 4.42Å; W865-L868 HydrophobicContact CE3-CD1 4.35Å; W865-L868 PolarHBondContact O-N 3.11Å; L868-S871 PolarHBondContact O-N 3.38Å; L868-F872 HydrophobicContact CB-CD2 4.37Å; L868-F872 HydrophobicContact CB-CE2 4.19Å; L868-F872 WeakPolarHBondContact O-CD2 3.24Å; L868-F872 WeakPolarHBondContact O-CG 3.49Å; L868-F872 PolarHBondContact O-N 3.41Å |
| 869 | Q | 91.8 | Very high | 90.8 | Very high | 85 Ų | 85 | 84.1 Ų | 84.1 | 40% | 0.397 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | -179 | -175.1 | 177.2 | 8.1 | 0 | 0 | 111.6 | W865 A866 E867 F872 N873 | W865-Q869 WeakPolarHBondContact O-CB 3.27Å; W865-Q869 PolarHBondContact O-N 2.94Å; A866-Q869 PolarHBondContact O-N 2.82Å; E867-Q869 PolarHBondContact O-N 3.12Å; Q869-F872 PolarHBondContact O-N 2.91Å; Q869-N873 VanDerWaalsContact O-CB 3.27Å; Q869-N873 WeakPolarHBondContact O-CB 3.41Å; Q869-N873 PolarHBondContact O-N 3.46Å; Q869-N873 PolarHBondContact O-ND2 3.45Å |
| 870 | A | 91.9 | Very high | 91.1 | Very high | 59 Ų | 59 | 84.2 Ų | 84.2 | 49% | 0.488 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A866 E867 N873 Q874 | A866-A870 VanDerWaalsContact O-CB 3.28Å; A866-A870 WeakPolarHBondContact O-CB 3.11Å; A866-A870 PolarHBondContact O-N 3.29Å; E867-A870 PolarHBondContact O-N 3.15Å; A870-N873 PolarHBondContact O-N 3.34Å; A870-Q874 VanDerWaalsContact O-CB 3.32Å; A870-Q874 WeakPolarHBondContact O-CB 3.3Å; A870-Q874 PolarHBondContact O-N 3.35Å |
| 871 | S | 90.3 | Very high | 91.6 | Very high | 66 Ų | 66 | 87.1 Ų | 87.1 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | E867 L868 Q874 S875 | E867-S871 PolarHBondContact O-N 3.28Å; E867-S871 VanDerWaalsContact O-N 3.1Å; L868-S871 PolarHBondContact O-N 3.38Å; S871-Q874 PolarHBondContact O-N 2.83Å; S871-S875 WeakPolarHBondContact O-CB 3.36Å; S871-S875 PolarHBondContact O-N 3.3Å; S871-S875 PolarHBondContact O-OG 3.23Å |
| 872 | F | 93.8 | Very high | 91.9 | Very high | 113 Ų | 113 | 88.3 Ų | 88.3 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 178 | -76 | -50.4 | 0 | 0 | 0 | 112 | L868 Q869 Q874 S875 L876 | L868-F872 HydrophobicContact CB-CD2 4.37Å; L868-F872 HydrophobicContact CB-CE2 4.19Å; L868-F872 WeakPolarHBondContact O-CD2 3.24Å; L868-F872 WeakPolarHBondContact O-CG 3.49Å; L868-F872 PolarHBondContact O-N 3.41Å; Q869-F872 PolarHBondContact O-N 2.91Å; F872-Q874 VanDerWaalsContact C-N 3.33Å; F872-Q874 PolarHBondContact O-N 2.82Å; F872-S875 PolarHBondContact O-N 2.91Å; F872-L876 VanDerWaalsContact O-CB 3.26Å; F872-L876 WeakPolarHBondContact O-CB 3.41Å; F872-L876 VanDerWaalsContact O-CG 3.22Å; F872-L876 WeakPolarHBondContact O-CG 3.42Å; F872-L876 PolarHBondContact O-N 2.85Å |
| 873 | N | 95.1 | Very high | 92.1 | Very high | 83 Ų | 83 | 89.4 Ų | 89.4 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 178.8 | -74.1 | -18.8 | 0 | 0 | 0 | 110.9 | Q869 A870 L876 C877 | Q869-N873 VanDerWaalsContact O-CB 3.27Å; Q869-N873 WeakPolarHBondContact O-CB 3.41Å; Q869-N873 PolarHBondContact O-N 3.46Å; Q869-N873 PolarHBondContact O-ND2 3.45Å; A870-N873 PolarHBondContact O-N 3.34Å; N873-L876 PolarHBondContact O-N 2.86Å; N873-C877 VanDerWaalsContact O-CB 3.23Å; N873-C877 WeakPolarHBondContact O-CB 3.4Å; N873-C877 PolarHBondContact O-N 3.45Å; N873-C877 PolarHBondContact O-SG 3.39Å |
| 874 | Q | 95.6 | Very high | 92.5 | Very high | 129 Ų | 129 | 89.8 Ų | 89.8 | 60% | 0.603 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.7 | -49.5 | 176.8 | -175.1 | 179.7 | 0.4 | 0 | 0 | 111.5 | A870 S871 F872 L876 C877 L878 | A870-Q874 VanDerWaalsContact O-CB 3.32Å; A870-Q874 WeakPolarHBondContact O-CB 3.3Å; A870-Q874 PolarHBondContact O-N 3.35Å; S871-Q874 PolarHBondContact O-N 2.83Å; F872-Q874 VanDerWaalsContact C-N 3.33Å; F872-Q874 PolarHBondContact O-N 2.82Å; Q874-L876 PolarHBondContact O-N 2.8Å; Q874-C877 PolarHBondContact O-N 2.8Å; Q874-L878 HydrophobicContact CG-CD1 4.06Å; Q874-L878 WeakPolarHBondContact O-CB 3.33Å; Q874-L878 VanDerWaalsContact O-CG 3.29Å; Q874-L878 WeakPolarHBondContact O-CG 3.4Å; Q874-L878 PolarHBondContact O-N 2.69Å |
| 875 | S | 95.9 | Very high | 92.7 | Very high | 60 Ų | 60 | 91.8 Ų | 91.8 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 178.3 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | S871 F872 L878 L879 | S871-S875 WeakPolarHBondContact O-CB 3.36Å; S871-S875 PolarHBondContact O-N 3.3Å; S871-S875 PolarHBondContact O-OG 3.23Å; F872-S875 PolarHBondContact O-N 2.91Å; S875-L878 PolarHBondContact O-N 3.02Å; S875-L879 VanDerWaalsContact O-CB 3.28Å; S875-L879 WeakPolarHBondContact O-CB 3.32Å; S875-L879 PolarHBondContact O-N 3.31Å |
| 876 | L | 95.8 | Very high | 92 | Very high | 108 Ų | 108 | 94 Ų | 94 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.9 | -41.9 | 178.9 | -73.9 | 170.8 | 0 | 0 | 0 | 112.3 | F872 N873 Q874 L879 S880 | F872-L876 VanDerWaalsContact O-CB 3.26Å; F872-L876 WeakPolarHBondContact O-CB 3.41Å; F872-L876 VanDerWaalsContact O-CG 3.22Å; F872-L876 WeakPolarHBondContact O-CG 3.42Å; F872-L876 PolarHBondContact O-N 2.85Å; N873-L876 PolarHBondContact O-N 2.86Å; Q874-L876 PolarHBondContact O-N 2.8Å; L876-L879 PolarHBondContact O-N 2.69Å; L876-S880 VanDerWaalsContact O-CB 3.28Å; L876-S880 WeakPolarHBondContact O-CB 3.34Å; L876-S880 PolarHBondContact O-N 2.83Å; L876-S880 PolarHBondContact O-OG 3.41Å |
| 877 | C | 95.1 | Very high | 90.6 | Very high | 80 Ų | 80 | 100.4 Ų | 100.4 | 54% | 0.541 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 173.9 | -74.8 | 0 | 0 | 0 | 0 | 111.4 | N873 Q874 S880 Y881 | N873-C877 VanDerWaalsContact O-CB 3.23Å; N873-C877 WeakPolarHBondContact O-CB 3.4Å; N873-C877 PolarHBondContact O-N 3.45Å; N873-C877 PolarHBondContact O-SG 3.39Å; Q874-C877 PolarHBondContact O-N 2.8Å; C877-S880 WeakPolarHBondContact CA-OG 3.31Å; C877-S880 PolarHBondContact O-OG 3.4Å; C877-Y881 WeakPolarHBondContact O-CB 3.29Å; C877-Y881 PolarHBondContact O-N 2.82Å |
| 878 | L | 95.3 | Very high | 90.8 | Very high | 99 Ų | 99 | 98.1 Ų | 98.1 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 177.2 | -71.1 | 173.6 | 0 | 0 | 0 | 112.2 | Q874 S875 T882 | Q874-L878 HydrophobicContact CG-CD1 4.06Å; Q874-L878 WeakPolarHBondContact O-CB 3.33Å; Q874-L878 VanDerWaalsContact O-CG 3.29Å; Q874-L878 WeakPolarHBondContact O-CG 3.4Å; Q874-L878 PolarHBondContact O-N 2.69Å; S875-L878 PolarHBondContact O-N 3.02Å; L878-T882 WeakPolarHBondContact O-CB 3.18Å; L878-T882 VanDerWaalsContact O-CG2 3.24Å; L878-T882 WeakPolarHBondContact O-CG2 3.49Å; L878-T882 PolarHBondContact O-N 2.94Å; L878-T882 PolarHBondContact O-OG1 3.46Å |
| 879 | L | 95.5 | Very high | 91 | Very high | 116 Ų | 116 | 100.9 Ų | 100.9 | 61% | 0.607 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.7 | -44.3 | 176.1 | -93.6 | 160 | 0 | 0 | 0 | 112.1 | S875 L876 T882 K883 | S875-L879 VanDerWaalsContact O-CB 3.28Å; S875-L879 WeakPolarHBondContact O-CB 3.32Å; S875-L879 PolarHBondContact O-N 3.31Å; L876-L879 PolarHBondContact O-N 2.69Å; L879-T882 WeakPolarHBondContact CA-OG1 3.42Å; L879-T882 PolarHBondContact O-OG1 3.24Å; L879-T882 VanDerWaalsContact O-OG1 3.04Å; L879-K883 WeakPolarHBondContact O-CB 3.39Å; L879-K883 PolarHBondContact O-N 2.95Å |
| 880 | S | 94.4 | Very high | 90.9 | Very high | 71 Ų | 71 | 101.8 Ų | 101.8 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.3 | -45.2 | 177.2 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | L876 C877 K883 S884 | L876-S880 VanDerWaalsContact O-CB 3.28Å; L876-S880 WeakPolarHBondContact O-CB 3.34Å; L876-S880 PolarHBondContact O-N 2.83Å; L876-S880 PolarHBondContact O-OG 3.41Å; C877-S880 WeakPolarHBondContact CA-OG 3.31Å; C877-S880 PolarHBondContact O-OG 3.4Å; S880-K883 PolarHBondContact O-N 3.01Å; S880-S884 WeakPolarHBondContact O-CB 3.43Å; S880-S884 PolarHBondContact O-N 2.93Å; S880-S884 PolarHBondContact O-OG 2.99Å |
| 881 | Y | 94.9 | Very high | 90.8 | Very high | 156 Ų | 156 | 104.4 Ų | 104.4 | 61% | 0.612 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.5 | -53.2 | 175.4 | 176.7 | -103.8 | 0 | 0 | 0 | 111.9 | C877 K883 S884 A885 | C877-Y881 WeakPolarHBondContact O-CB 3.29Å; C877-Y881 PolarHBondContact O-N 2.82Å; Y881-K883 VanDerWaalsContact C-N 3.34Å; Y881-K883 PolarHBondContact O-N 2.85Å; Y881-S884 WeakPolarHBondContact CA-OG 3.44Å; Y881-S884 CarbonylContact O-C 3.53Å; Y881-S884 PolarHBondContact O-N 3.43Å; Y881-S884 VanDerWaalsContact O-N 3.07Å; Y881-S884 PolarHBondContact O-OG 3.2Å; Y881-A885 HydrophobicContact CE1-CB 4.49Å; Y881-A885 WeakPolarHBondContact O-CB 3.36Å; Y881-A885 PolarHBondContact O-N 3.32Å |
| 882 | T | 94.9 | Very high | 90.9 | Very high | 62 Ų | 62 | 106.8 Ų | 106.8 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60 | -42.6 | 179.5 | 49.4 | 0 | 0 | 0 | 0 | 112 | L878 L879 S884 A885 L886 | L878-T882 WeakPolarHBondContact O-CB 3.18Å; L878-T882 VanDerWaalsContact O-CG2 3.24Å; L878-T882 WeakPolarHBondContact O-CG2 3.49Å; L878-T882 PolarHBondContact O-N 2.94Å; L878-T882 PolarHBondContact O-OG1 3.46Å; L879-T882 WeakPolarHBondContact CA-OG1 3.42Å; L879-T882 PolarHBondContact O-OG1 3.24Å; L879-T882 VanDerWaalsContact O-OG1 3.04Å; T882-S884 VanDerWaalsContact C-N 3.31Å; T882-S884 PolarHBondContact O-N 2.94Å; T882-A885 PolarHBondContact O-N 2.96Å; T882-L886 WeakPolarHBondContact O-CB 3.46Å; T882-L886 PolarHBondContact O-N 3.33Å |
| 883 | K | 93.6 | Very high | 90.7 | Very high | 153 Ų | 153 | 106.3 Ų | 106.3 | 67% | 0.665 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.1 | -40.1 | 174.7 | -172.7 | 178.6 | -178.5 | -179.6 | 0 | 112 | L879 S880 Y881 L887 | L879-K883 WeakPolarHBondContact O-CB 3.39Å; L879-K883 PolarHBondContact O-N 2.95Å; S880-K883 PolarHBondContact O-N 3.01Å; Y881-K883 VanDerWaalsContact C-N 3.34Å; Y881-K883 PolarHBondContact O-N 2.85Å; K883-L887 HydrophobicContact CG-CD1 4.36Å; K883-L887 WeakPolarHBondContact O-CD1 3.3Å; K883-L887 WeakPolarHBondContact O-CG 3.25Å; K883-L887 PolarHBondContact O-N 3.13Å |
| 884 | S | 92.8 | Very high | 90.4 | Very high | 73 Ų | 73 | 108 Ų | 108 | 51% | 0.51 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -76.6 | -26.1 | 179.2 | 69.2 | 0 | 0 | 0 | 0 | 114.5 | S880 Y881 T882 | S880-S884 WeakPolarHBondContact O-CB 3.43Å; S880-S884 PolarHBondContact O-N 2.93Å; S880-S884 PolarHBondContact O-OG 2.99Å; Y881-S884 WeakPolarHBondContact CA-OG 3.44Å; Y881-S884 CarbonylContact O-C 3.53Å; Y881-S884 PolarHBondContact O-N 3.43Å; Y881-S884 VanDerWaalsContact O-N 3.07Å; Y881-S884 PolarHBondContact O-OG 3.2Å; T882-S884 VanDerWaalsContact C-N 3.31Å; T882-S884 PolarHBondContact O-N 2.94Å |
| 885 | A | 88.1 | Confident | 90 | Very high | 60 Ų | 60 | 106.4 Ų | 106.4 | 50% | 0.496 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -90.1 | -21.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y881 T882 | Y881-A885 HydrophobicContact CE1-CB 4.49Å; Y881-A885 WeakPolarHBondContact O-CB 3.36Å; Y881-A885 PolarHBondContact O-N 3.32Å; T882-A885 PolarHBondContact O-N 2.96Å |
| 886 | L | 73.5 | Confident | 89.5 | Confident | 157 Ų | 157 | 110.3 Ų | 110.3 | 82% | 0.822 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -88.7 | -16.7 | 173.9 | -86.1 | 151.8 | 0 | 0 | 0 | 113.4 | T882 | T882-L886 WeakPolarHBondContact O-CB 3.46Å; T882-L886 PolarHBondContact O-N 3.33Å |
| 887 | L | 60.1 | Low | 88.9 | Confident | 188 Ų | 188 | 110.5 Ų | 110.5 | 98% | 0.984 | 60% | 0.603 | S | S | * | * | trans | -84.4 | 0 | 166.9 | -78.6 | 167.7 | 0 | 0 | 0 | 109.7 | K883 | K883-L887 HydrophobicContact CG-CD1 4.36Å; K883-L887 WeakPolarHBondContact O-CD1 3.3Å; K883-L887 WeakPolarHBondContact O-CG 3.25Å; K883-L887 PolarHBondContact O-N 3.13Å |
Retrieved 887 of 887 residues in 5060.5 ms
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