| 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 | 95.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | 0 | 128.7 | 0 | -174.3 | 172.3 | 79.3 | 0 | 0 | 109.8 | C9 Y104 F138 E139 V140 R141 | M1-C9 HydrophobicContact CE-CB 4.09Å; M1-C9 HydrophobicContact SD-CB 4.05Å; M1-Y104 HydrophobicContact CE-CD2 4.14Å; M1-Y104 HydrophobicContact CE-CE2 3.32Å; M1-F138 HydrophobicContact CB-CD2 3.95Å; M1-F138 HydrophobicContact CB-CE2 4.19Å; M1-F138 HydrophobicContact CE-CE2 3.67Å; M1-F138 HydrophobicContact CE-CZ 4.45Å; M1-F138 HydrophobicContact SD-CE2 3.92Å; M1-E139 PolarHBondContact N-O 2.9Å; M1-V140 HydrophobicContact CB-CG2 4.43Å; M1-V140 HydrophobicContact CE-CB 4.49Å; M1-V140 HydrophobicContact CE-CG1 3.84Å; M1-V140 HydrophobicContact CE-CG2 3.83Å; M1-V140 WeakPolarHBondContact O-CA 3.45Å; M1-R141 PolarHBondContact O-N 3.45Å | |||
| 2 | F | 98 | Very high | 96.8 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126 | 172.2 | -63.9 | -104.2 | 0 | 0 | 0 | 108.2 | R141 P146 D149 R150 E153 | F2-R141 WeakPolarHBondContact CA-O 3.19Å; F2-R141 HydrophobicContact CD1-CB 3.93Å; F2-R141 HydrophobicContact CD1-CG 4.14Å; F2-R141 HydrophobicContact CE1-CB 4.14Å; F2-R141 HydrophobicContact CE1-CG 4.29Å; F2-P146 HydrophobicContact CB-CB 3.75Å; F2-D149 HydrophobicContact CD1-CB 4.01Å; F2-D149 HydrophobicContact CE1-CB 4.09Å; F2-R150 HydrophobicContact CD1-CB 4.35Å; F2-R150 HydrophobicContact CD2-CB 3.65Å; F2-R150 HydrophobicContact CD2-CG 3.87Å; F2-R150 HydrophobicContact CE1-CB 4.46Å; F2-R150 HydrophobicContact CE2-CB 3.83Å; F2-R150 HydrophobicContact CE2-CG 3.86Å; F2-R150 HydrophobicContact CG-CB 3.96Å; F2-R150 HydrophobicContact CZ-CB 4.24Å; F2-E153 HydrophobicContact CE1-CG 4.27Å; F2-E153 WeakPolarHBondContact CE1-OE1 3.39Å; F2-E153 HydrophobicContact CZ-CB 3.99Å; F2-E153 VanDerWaalsContact CZ-CD 3.44Å; F2-E153 HydrophobicContact CZ-CG 4.07Å; F2-E153 WeakPolarHBondContact CZ-OE2 3.36Å |
| 3 | C | 98 | Very high | 96.8 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 165.3 | -177.2 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | C9 R141 V142 C143 | C3-C9 WeakPolarHBondContact CB-SG 3.36Å; C3-R141 PolarHBondContact N-O 3.46Å; C3-R141 VanDerWaalsContact N-O 3.1Å; C3-V142 CarbonylContact O-C 3.54Å; C3-V142 WeakPolarHBondContact O-CA 3.46Å; C3-C143 PolarHBondContact O-N 3.29Å |
| 4 | Q | 97.9 | Very high | 96.8 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | trans | -92.2 | 158.4 | 173 | -70.1 | -178.1 | -46.8 | 0 | 0 | 110.8 | A6 K7 C143 A144 P146 | Q4-A6 PolarHBondContact O-N 2.99Å; Q4-K7 HydrophobicContact CB-CB 4.15Å; Q4-K7 HydrophobicContact CB-CG 3.68Å; Q4-K7 PolarHBondContact O-N 3.43Å; Q4-C143 WeakPolarHBondContact CA-O 3.34Å; Q4-A144 PolarHBondContact NE2-O 3.1Å; Q4-P146 HydrophobicContact CG-CG 3.7Å | ||
| 5 | L | 96.2 | Very high | 96.6 | Very high | 57 Ų | 57 | 64 Ų | 64 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 131.9 | 173.7 | -178.4 | 69.1 | 0 | 0 | 0 | 110.9 | K7 C106 V142 | L5-K7 PolarHBondContact O-N 3.06Å; L5-K7 VanDerWaalsContact O-N 3.1Å; L5-C106 VanDerWaalsContact CD1-CA 3.41Å; L5-V142 HydrophobicContact CB-CG1 4.4Å |
| 6 | A | 94.4 | Very high | 96.4 | Very high | 49 Ų | 49 | 71.3 Ų | 71.3 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 32.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q4 Y104 M105 | Q4-A6 PolarHBondContact O-N 2.99Å; A6-Y104 PolarHBondContact N-O 3.12Å; A6-M105 HydrophobicContact CB-CE 3.94Å; A6-M105 HydrophobicContact CB-SD 3.85Å |
| 7 | K | 96.3 | Very high | 96.2 | Very high | 120 Ų | 120 | 72.6 Ų | 72.6 | 52% | 0.522 | 39% | 0.386 | S | S | . | . | trans | -109.8 | 135.9 | 170.7 | -66.5 | -57.8 | -174 | -179.1 | 0 | 110.2 | Q4 L5 C9 N103 | Q4-K7 HydrophobicContact CB-CB 4.15Å; Q4-K7 HydrophobicContact CB-CG 3.68Å; Q4-K7 PolarHBondContact O-N 3.43Å; L5-K7 PolarHBondContact O-N 3.06Å; L5-K7 VanDerWaalsContact O-N 3.1Å; K7-C9 PolarHBondContact O-N 3.27Å; K7-C9 PolarHBondContact O-SG 3.03Å; K7-N103 PolarHBondContact O-OD1 3.18Å | ||
| 8 | T | 96.7 | Very high | 96 | Very high | 63 Ų | 63 | 74.2 Ų | 74.2 | 39% | 0.387 | 40% | 0.398 | S | S | . | . | trans | -61.4 | 123.3 | -176.9 | -39 | 0 | 0 | 0 | 0 | 111.5 | E66 H101 N103 | T8-E66 WeakPolarHBondContact CG2-OE2 3.32Å; T8-E66 PolarHBondContact OG1-OE2 2.98Å; T8-H101 HydrophobicContact CG2-CB 3.61Å; T8-N103 WeakPolarHBondContact CA-OD1 3.47Å; T8-N103 PolarHBondContact N-OD1 2.9Å | ||
| 9 | C | 97.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 71.2 Ų | 71.2 | 7% | 0.074 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 97.1 | 177 | -59.6 | 0 | 0 | 0 | 0 | 108.6 | M1 C3 K7 V11 Y102 | M1-C9 HydrophobicContact CE-CB 4.09Å; M1-C9 HydrophobicContact SD-CB 4.05Å; C3-C9 WeakPolarHBondContact CB-SG 3.36Å; K7-C9 PolarHBondContact O-N 3.27Å; K7-C9 PolarHBondContact O-SG 3.03Å; C9-V11 PolarHBondContact O-N 3.26Å; C9-Y102 WeakPolarHBondContact CA-O 3.49Å; C9-Y102 VanDerWaalsContact CB-O 3.32Å; C9-Y102 WeakPolarHBondContact CB-O 3.4Å; C9-Y102 PolarHBondContact N-O 2.95Å; C9-Y102 PolarHBondContact O-N 2.96Å |
| 10 | P | 97 | Very high | 95.9 | Very high | 87 Ų | 87 | 71.6 Ų | 71.6 | 57% | 0.565 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 129.7 | 175.1 | 27.1 | -32.7 | 0 | 0 | 0 | 110.2 | T99 | P10-T99 HydrophobicContact CB-CG2 3.8Å |
| 11 | V | 97.5 | Very high | 95.8 | Very high | 23 Ų | 23 | 74.3 Ų | 74.3 | 14% | 0.139 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.4 | 174 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | C9 I100 Y102 I123 F138 | C9-V11 PolarHBondContact O-N 3.26Å; V11-I100 PolarHBondContact N-O 3.15Å; V11-I100 PolarHBondContact O-N 3.19Å; V11-Y102 HydrophobicContact CB-CD2 3.94Å; V11-Y102 HydrophobicContact CB-CE2 3.98Å; V11-Y102 HydrophobicContact CG2-CD2 3.69Å; V11-Y102 HydrophobicContact CG2-CE2 4.15Å; V11-I123 HydrophobicContact CG1-CD1 3.85Å; V11-F138 HydrophobicContact CG2-CZ 4.17Å |
| 12 | Q | 96.7 | Very high | 95.7 | Very high | 114 Ų | 114 | 73.6 Ų | 73.6 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 134.5 | 178.8 | -67.8 | 174.6 | -30.7 | 0 | 0 | 110.9 | C97 | Q12-C97 HydrophobicContact CB-CB 4.47Å |
| 13 | L | 96.5 | Very high | 95.7 | Very high | 22 Ų | 22 | 71.5 Ų | 71.5 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.3 | 176.6 | -56.1 | 179.9 | 0 | 0 | 0 | 108.9 | V25 C97 T98 I100 I123 | L13-V25 HydrophobicContact CD1-CB 4.38Å; L13-V25 HydrophobicContact CD1-CG1 4.06Å; L13-V25 HydrophobicContact CD1-CG2 3.66Å; L13-V25 HydrophobicContact CD2-CG1 4.42Å; L13-C97 WeakPolarHBondContact O-CA 3.34Å; L13-C97 VanDerWaalsContact O-CB 3.29Å; L13-C97 WeakPolarHBondContact O-CB 3.33Å; L13-T98 WeakPolarHBondContact CB-O 3.49Å; L13-T98 PolarHBondContact N-O 3.38Å; L13-T98 PolarHBondContact O-N 3.23Å; L13-T98 VanDerWaalsContact O-N 3.11Å; L13-I100 HydrophobicContact CD1-CD1 3.57Å; L13-I100 HydrophobicContact CD1-CG1 3.89Å; L13-I100 HydrophobicContact CG-CD1 4.47Å; L13-I100 HydrophobicContact CG-CG1 4.47Å; L13-I123 HydrophobicContact CD2-CG2 4.35Å |
| 14 | W | 96.4 | Very high | 95.7 | Very high | 152 Ų | 152 | 73.9 Ų | 73.9 | 58% | 0.576 | 42% | 0.42 | S | S | * | . | trans | -105.1 | 132.5 | 178 | -65.1 | 81.7 | 0 | 0 | 0 | 109 | D96 C97 | W14-D96 HydrophobicContact CH2-CB 4.3Å; W14-D96 VanDerWaalsContact CH2-OD1 3.29Å; W14-D96 WeakPolarHBondContact CH2-OD1 3.37Å; W14-D96 WeakPolarHBondContact CH2-OD2 3.32Å; W14-D96 HydrophobicContact CZ3-CB 3.84Å; W14-D96 VanDerWaalsContact CZ3-OD2 3.25Å; W14-D96 WeakPolarHBondContact CZ3-OD2 3.29Å; W14-C97 HydrophobicContact CD2-CB 3.8Å; W14-C97 HydrophobicContact CE3-CB 4.19Å; W14-C97 HydrophobicContact CG-CB 4.16Å; W14-C97 HydrophobicContact CZ2-CB 4.11Å | ||
| 15 | V | 94.8 | Very high | 95.7 | Very high | 49 Ų | 49 | 69.9 Ų | 69.9 | 30% | 0.297 | 40% | 0.402 | S | S | . | . | trans | -138.2 | 138.6 | 176.6 | -64 | 0 | 0 | 0 | 0 | 109.2 | P19 Y88 | V15-P19 HydrophobicContact CG1-CG 4.37Å; V15-Y88 HydrophobicContact CG1-CE2 4.44Å; V15-Y88 VanDerWaalsContact CG2-OH 3.25Å; V15-Y88 WeakPolarHBondContact CG2-OH 3.48Å | ||
| 16 | D | 92.6 | Very high | 95.8 | Very high | 181 Ų | 181 | 69 Ų | 69 | 97% | 0.968 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -77.3 | -29.1 | -179.5 | -58.4 | -34.9 | 0 | 0 | 0 | 112.2 | ||
| 17 | S | 92.6 | Very high | 96 | Very high | 94 Ų | 94 | 66.7 Ų | 66.7 | 66% | 0.657 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -138.7 | 144.8 | 174.8 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | P19 | S17-P19 VanDerWaalsContact O-CD 3.28Å; S17-P19 WeakPolarHBondContact O-CD 3.36Å |
| 18 | T | 92.7 | Very high | 96.1 | Very high | 100 Ų | 100 | 62.9 Ų | 62.9 | 61% | 0.613 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 120.8 | -179.5 | -53 | 0 | 0 | 0 | 0 | 109.9 | Y88 P90 | T18-Y88 HydrophobicContact CG2-CE1 4.45Å; T18-P90 HydrophobicContact CG2-CG 4.4Å |
| 19 | P | 94.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 12% | 0.117 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 161 | 178 | -24.2 | 34.7 | 0 | 0 | 0 | 112.9 | V15 S17 T23 Y88 L125 | V15-P19 HydrophobicContact CG1-CG 4.37Å; S17-P19 VanDerWaalsContact O-CD 3.28Å; S17-P19 WeakPolarHBondContact O-CD 3.36Å; P19-T23 HydrophobicContact CB-CG2 3.71Å; P19-T23 WeakPolarHBondContact CB-OG1 3.49Å; P19-T23 HydrophobicContact CG-CG2 4.28Å; P19-Y88 HydrophobicContact CG-CD1 4.24Å; P19-Y88 HydrophobicContact CG-CE1 4.04Å; P19-L125 HydrophobicContact CB-CD2 4.29Å; P19-L125 HydrophobicContact CG-CD2 3.73Å |
| 20 | P | 94.9 | Very high | 96.2 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 151.3 | 176.7 | -24 | 34 | 0 | 0 | 0 | 113 | T23 | P20-T23 WeakPolarHBondContact O-CB 3.38Å; P20-T23 PolarHBondContact O-N 3.16Å; P20-T23 PolarHBondContact O-OG1 3.27Å |
| 21 | P | 94.5 | Very high | 96.2 | Very high | 129 Ų | 129 | 56.4 Ų | 56.4 | 84% | 0.838 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 141.6 | 174.8 | -25.8 | 34.8 | 0 | 0 | 0 | 112.7 | T23 | P21-T23 VanDerWaalsContact C-N 3.3Š|
| 22 | G | 94.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 56% | 0.557 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 6.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 23 | T | 97.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | trans | -59.2 | 143.6 | 169.2 | -66 | 0 | 0 | 0 | 0 | 110.6 | P19 P20 P21 Y88 L125 E126 L133 | P19-T23 HydrophobicContact CB-CG2 3.71Å; P19-T23 WeakPolarHBondContact CB-OG1 3.49Å; P19-T23 HydrophobicContact CG-CG2 4.28Å; P20-T23 WeakPolarHBondContact O-CB 3.38Å; P20-T23 PolarHBondContact O-N 3.16Å; P20-T23 PolarHBondContact O-OG1 3.27Å; P21-T23 VanDerWaalsContact C-N 3.3Å; T23-Y88 HydrophobicContact CG2-CG 4.32Å; T23-Y88 WeakPolarHBondContact O-CB 3.49Å; T23-Y88 PolarHBondContact O-N 2.93Å; T23-L125 HydrophobicContact CG2-CD1 3.3Å; T23-L125 HydrophobicContact CG2-CD2 4.22Å; T23-L125 HydrophobicContact CG2-CG 3.58Å; T23-E126 CarbonylContact C-O 3.59Å; T23-E126 VanDerWaalsContact CA-O 3.28Å; T23-E126 WeakPolarHBondContact CA-O 3.38Å; T23-E126 WeakPolarHBondContact CG2-O 3.46Å; T23-L133 HydrophobicContact CG2-CD1 4.02Å | ||
| 24 | R | 97.6 | Very high | 96.2 | Very high | 59 Ų | 59 | 62.6 Ų | 62.6 | 22% | 0.223 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151 | -179.2 | 68.2 | -166.4 | -167.6 | -175.3 | -7.3 | 110.9 | R26 V85 V86 E126 | R24-R26 VanDerWaalsContact NH2-NH2 3.19Å; R24-V85 HydrophobicContact CB-CG1 3.72Å; R24-V85 HydrophobicContact CG-CG1 3.86Å; R24-V86 CarbonylContact C-O 3.58Å; R24-V86 WeakPolarHBondContact CA-O 3.37Å; R24-E126 HydrophobicContact CG-CB 3.76Å; R24-E126 IonicContact CZ-OE2 3.73Å; R24-E126 PolarHBondContact N-O 2.94Å; R24-E126 IonicContact NE-OE2 3.05Å; R24-E126 PolarHBondContact NE-OE2 2.96Å; R24-E126 IonicContact NH2-OE2 2.61Å; R24-E126 PolarHBondContact NH2-OE2 2.94Å; R24-E126 PolarHBondContact O-N 2.97Å |
| 25 | V | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 116.8 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 107.9 | L13 V85 V86 Y88 I100 I123 T124 L125 | L13-V25 HydrophobicContact CD1-CB 4.38Å; L13-V25 HydrophobicContact CD1-CG1 4.06Å; L13-V25 HydrophobicContact CD1-CG2 3.66Å; L13-V25 HydrophobicContact CD2-CG1 4.42Å; V25-V85 CarbonylContact O-C 3.56Å; V25-V85 WeakPolarHBondContact O-CA 3.48Å; V25-V86 PolarHBondContact N-O 3.38Å; V25-V86 PolarHBondContact O-N 3.37Å; V25-Y88 HydrophobicContact CG2-CD2 4.15Å; V25-I100 HydrophobicContact CB-CD1 3.97Å; V25-I100 HydrophobicContact CG1-CD1 3.89Å; V25-I100 HydrophobicContact CG2-CD1 4.29Å; V25-I123 HydrophobicContact CG1-CG2 3.6Å; V25-T124 CarbonylContact C-O 3.51Å; V25-T124 WeakPolarHBondContact CA-O 3.38Å; V25-L125 HydrophobicContact CG2-CD1 3.88Å |
| 26 | R | 98.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 15% | 0.147 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.9 | 175 | 177.9 | -171.5 | -52.6 | -79.8 | -9.7 | 110 | R24 S83 V84 V85 I123 T124 E126 | R24-R26 VanDerWaalsContact NH2-NH2 3.19Å; R26-S83 PolarHBondContact NH1-OG 2.93Å; R26-V84 CarbonylContact C-O 3.58Å; R26-V84 VanDerWaalsContact CA-O 3.31Å; R26-V84 WeakPolarHBondContact CA-O 3.39Å; R26-V85 HydrophobicContact CB-CG2 3.93Å; R26-V85 HydrophobicContact CG-CG2 3.92Å; R26-I123 CarbonylContact O-C 3.58Å; R26-I123 VanDerWaalsContact O-CA 3.29Å; R26-I123 WeakPolarHBondContact O-CA 3.45Å; R26-T124 WeakPolarHBondContact CB-OG1 3.19Å; R26-T124 PolarHBondContact N-O 3.39Å; R26-T124 PolarHBondContact O-N 2.9Å; R26-E126 WeakPolarHBondContact CB-OE1 3.48Å; R26-E126 VanDerWaalsContact CD-OE1 3.3Å; R26-E126 WeakPolarHBondContact CD-OE1 3.38Å; R26-E126 IonicContact CZ-OE1 3.55Å; R26-E126 IonicContact CZ-OE2 2.97Å; R26-E126 IonicContact NE-OE1 3.76Å; R26-E126 PolarHBondContact NE-OE1 2.9Å; R26-E126 IonicContact NE-OE2 3.66Å; R26-E126 PolarHBondContact NE-OE2 3.3Å; R26-E126 IonicContact NH2-OE1 3.84Å; R26-E126 IonicContact NH2-OE2 2.89Å; R26-E126 PolarHBondContact NH2-OE2 3.4Å |
| 27 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I63 S83 V84 Y102 T121 I122 I123 | A27-I63 HydrophobicContact CB-CD1 4.47Å; A27-S83 WeakPolarHBondContact O-CA 3.06Å; A27-V84 HydrophobicContact CB-CG1 3.87Å; A27-V84 PolarHBondContact N-O 3.3Å; A27-V84 PolarHBondContact O-N 2.66Å; A27-Y102 HydrophobicContact CB-CD1 4.39Å; A27-Y102 HydrophobicContact CB-CE1 3.52Å; A27-T121 HydrophobicContact CB-CG2 4.49Å; A27-I122 WeakPolarHBondContact CA-O 3.34Å; A27-I123 HydrophobicContact CB-CG1 4.45Å |
| 28 | M | 97.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 19% | 0.192 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.3 | 175.3 | 66.4 | 179.3 | -62.9 | 0 | 0 | 111.1 | I30 T121 I122 | M28-I30 HydrophobicContact CE-CG2 3.71Å; M28-T121 CarbonylContact O-C 3.59Å; M28-T121 WeakPolarHBondContact O-CA 3.39Å; M28-I122 HydrophobicContact CG-CB 3.83Å; M28-I122 HydrophobicContact CG-CG2 4.48Å; M28-I122 PolarHBondContact N-O 3.27Å; M28-I122 PolarHBondContact O-N 2.97Å |
| 29 | A | 98.2 | Very high | 96.6 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 8% | 0.083 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V41 L62 I63 I119 L120 | A29-V41 HydrophobicContact CB-CB 4Å; A29-V41 HydrophobicContact CB-CG1 3.95Å; A29-V41 HydrophobicContact CB-CG2 4.19Å; A29-V41 WeakPolarHBondContact O-CG2 3.32Å; A29-L62 HydrophobicContact CB-CD2 4.15Å; A29-I63 HydrophobicContact CB-CD1 3.94Å; A29-I63 HydrophobicContact CB-CG1 4.37Å; A29-I119 HydrophobicContact CB-CD1 4.42Å; A29-L120 WeakPolarHBondContact CA-O 3.27Å |
| 30 | I | 97.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.062 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 154.5 | 169.9 | 64.5 | 163.7 | 0 | 0 | 0 | 110.2 | M28 M37 I119 L120 I122 | M28-I30 HydrophobicContact CE-CG2 3.71Å; I30-M37 HydrophobicContact CD1-CE 3.85Å; I30-I119 CarbonylContact O-C 3.54Å; I30-I119 WeakPolarHBondContact O-CA 3.49Å; I30-I119 WeakPolarHBondContact O-CB 3.47Å; I30-L120 HydrophobicContact CG1-CB 4.03Å; I30-L120 PolarHBondContact N-O 2.8Å; I30-L120 PolarHBondContact O-N 3.11Å; I30-I122 HydrophobicContact CD1-CD1 3.58Å; I30-I122 HydrophobicContact CD1-CG1 4.48Å; I30-I122 HydrophobicContact CG1-CD1 3.89Å; I30-I122 HydrophobicContact CG1-CG1 4.41Å; I30-I122 HydrophobicContact CG2-CD1 4.36Å |
| 31 | Y | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.7 | 169.5 | -68 | -70.2 | 0 | 0 | 0 | 110.9 | H36 E39 V41 G113 M114 R117 I119 | Y31-H36 HydrophobicContact CD2-CB 3.95Å; Y31-H36 WeakPolarHBondContact CD2-O 3.18Å; Y31-H36 HydrophobicContact CG-CB 3.83Å; Y31-E39 HydrophobicContact CD2-CB 4.06Å; Y31-E39 HydrophobicContact CE2-CB 4.01Å; Y31-E39 HydrophobicContact CE2-CG 4.08Å; Y31-V41 HydrophobicContact CD1-CG2 4.4Å; Y31-V41 HydrophobicContact CD2-CG2 3.82Å; Y31-V41 HydrophobicContact CE1-CG2 4.32Å; Y31-V41 HydrophobicContact CE2-CB 4.49Å; Y31-V41 HydrophobicContact CE2-CG2 3.75Å; Y31-V41 HydrophobicContact CG-CG2 4.16Å; Y31-G113 PolarHBondContact OH-O 3.5Å; Y31-M114 HydrophobicContact CE1-CB 4.34Å; Y31-M114 HydrophobicContact CE1-CG 4.14Å; Y31-R117 HydrophobicContact CD1-CB 3.67Å; Y31-R117 HydrophobicContact CE1-CB 3.76Å; Y31-R117 PolarHBondContact OH-NH2 2.88Å; Y31-I119 HydrophobicContact CD1-CG2 3.7Å; Y31-I119 HydrophobicContact CE1-CG2 3.89Å |
| 32 | K | 97.8 | Very high | 96.9 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 45% | 0.452 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -72.3 | -34.6 | 179.7 | -176.5 | 177.7 | 172.1 | -175.8 | 0 | 112.4 | P118 L120 E139 | K32-P118 HydrophobicContact CB-CB 4.15Å; K32-P118 HydrophobicContact CD-CB 4.34Å; K32-P118 PolarHBondContact N-O 3.07Å; K32-L120 HydrophobicContact CB-CD1 4.43Å; K32-L120 HydrophobicContact CB-CG 4.06Å; K32-L120 HydrophobicContact CD-CD2 4.37Å; K32-L120 HydrophobicContact CG-CD1 4.26Å; K32-L120 HydrophobicContact CG-CD2 4.43Å; K32-L120 HydrophobicContact CG-CG 4.16Å; K32-E139 HydrophobicContact CD-CG 4.47Å; K32-E139 VanDerWaalsContact CD-OE1 3.26Å; K32-E139 WeakPolarHBondContact CD-OE1 3.36Å; K32-E139 IonicContact NZ-OE1 3.46Å; K32-E139 PolarHBondContact NZ-OE1 3.47Å; K32-E139 IonicContact NZ-OE2 2.64Å; K32-E139 PolarHBondContact NZ-OE2 2.89Å |
| 33 | Q | 96.5 | Very high | 97 | Very high | 78 Ų | 78 | 51 Ų | 51 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -75.8 | 131.6 | -178.6 | -68.5 | 176.3 | -20.3 | 0 | 0 | 110.5 | Q35 H36 M37 | Q33-Q35 HydrophobicContact CB-CG 4.26Å; Q33-Q35 PolarHBondContact O-N 3.14Å; Q33-H36 PolarHBondContact O-N 2.97Å; Q33-H36 PolarHBondContact OE1-CD2 3.33Å; Q33-M37 PolarHBondContact O-N 3.5Å |
| 34 | S | 95.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 51 Ų | 51 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -54.5 | -39.4 | -177.4 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | H36 M37 | S34-H36 PolarHBondContact O-N 3.07Å; S34-H36 VanDerWaalsContact O-N 3.14Å; S34-M37 PolarHBondContact O-N 3.44Å |
| 35 | Q | 96.8 | Very high | 96.8 | Very high | 135 Ų | 135 | 50.8 Ų | 50.8 | 63% | 0.631 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -62.9 | -18.3 | 179.9 | 73.3 | -168.1 | 18.3 | 0 | 0 | 114.5 | Q33 | Q33-Q35 HydrophobicContact CB-CG 4.26Å; Q33-Q35 PolarHBondContact O-N 3.14Å |
| 36 | H | 95.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 19% | 0.185 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -118.8 | 1.4 | -180 | -58 | -56.6 | 0 | 0 | 0 | 112.8 | Y31 Q33 S34 T38 E39 R117 | Y31-H36 HydrophobicContact CD2-CB 3.95Å; Y31-H36 WeakPolarHBondContact CD2-O 3.18Å; Y31-H36 HydrophobicContact CG-CB 3.83Å; Q33-H36 PolarHBondContact O-N 2.97Å; Q33-H36 PolarHBondContact OE1-CD2 3.33Å; S34-H36 PolarHBondContact O-N 3.07Å; S34-H36 VanDerWaalsContact O-N 3.14Å; H36-T38 PolarHBondContact O-N 3.42Å; H36-T38 VanDerWaalsContact O-N 3.15Å; H36-E39 WeakPolarHBondContact O-CB 3.17Å; H36-E39 PolarHBondContact O-N 2.96Å; H36-R117 WeakPolarHBondContact CD2-CD 3.43Å; H36-R117 PolarHBondContact ND1-NH1 2.8Å; H36-R117 WeakPolarHBondContact NE2-CD 3.39Å |
| 37 | M | 93.3 | Very high | 96.5 | Very high | 98 Ų | 98 | 56.7 Ų | 56.7 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -26.8 | -169.7 | -165.8 | -178.7 | -177.8 | 0 | 0 | 112.9 | I30 Q33 S34 R81 | I30-M37 HydrophobicContact CD1-CE 3.85Å; Q33-M37 PolarHBondContact O-N 3.5Å; S34-M37 PolarHBondContact O-N 3.44Å; M37-R81 PolarHBondContact O-NH2 2.97Å |
| 38 | T | 94.8 | Very high | 96.3 | Very high | 126 Ų | 126 | 59.3 Ų | 59.3 | 77% | 0.773 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -19 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | H36 | H36-T38 PolarHBondContact O-N 3.42Å; H36-T38 VanDerWaalsContact O-N 3.15Å |
| 39 | E | 96.8 | Very high | 96 | Very high | 79 Ų | 79 | 66.5 Ų | 66.5 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -74.4 | 143.8 | 179.4 | -167.3 | -178.1 | 137.5 | 0 | 0 | 111.1 | Y31 H36 R117 | Y31-E39 HydrophobicContact CD2-CB 4.06Å; Y31-E39 HydrophobicContact CE2-CB 4.01Å; Y31-E39 HydrophobicContact CE2-CG 4.08Å; H36-E39 WeakPolarHBondContact O-CB 3.17Å; H36-E39 PolarHBondContact O-N 2.96Å; E39-R117 IonicContact OE1-CZ 2.65Å; E39-R117 VanDerWaalsContact OE1-CZ 3.29Å; E39-R117 IonicContact OE1-NH1 3.74Å; E39-R117 PolarHBondContact OE1-NH1 3.49Å; E39-R117 IonicContact OE1-NH2 3.4Å; E39-R117 PolarHBondContact OE1-NH2 3Å; E39-R117 IonicContact OE2-CZ 3.54Å; E39-R117 IonicContact OE2-NH1 3.55Å; E39-R117 PolarHBondContact OE2-NH1 3.05Å; E39-R117 IonicContact OE2-NH2 3.94Å |
| 40 | V | 97.2 | Very high | 95.3 | Very high | 27 Ų | 27 | 68.2 Ų | 68.2 | 16% | 0.164 | 34% | 0.338 | C | S | . | . | trans | -76.9 | 130.9 | 175.8 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | R42 F80 R81 | V40-R42 HydrophobicContact CB-CG 4.3Å; V40-R42 HydrophobicContact CG1-CG 3.85Å; V40-R42 PolarHBondContact O-N 3.27Å; V40-F80 VanDerWaalsContact CG1-O 3.29Å; V40-F80 WeakPolarHBondContact CG1-O 3.46Å; V40-F80 HydrophobicContact CG2-CB 4.03Å; V40-F80 WeakPolarHBondContact CG2-O 3.36Å; V40-R81 HydrophobicContact CG2-CG 4.47Å | ||
| 41 | V | 97.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | trans | -77.2 | 112.9 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | A29 Y31 L62 H82 M114 I119 | A29-V41 HydrophobicContact CB-CB 4Å; A29-V41 HydrophobicContact CB-CG1 3.95Å; A29-V41 HydrophobicContact CB-CG2 4.19Å; A29-V41 WeakPolarHBondContact O-CG2 3.32Å; Y31-V41 HydrophobicContact CD1-CG2 4.4Å; Y31-V41 HydrophobicContact CD2-CG2 3.82Å; Y31-V41 HydrophobicContact CE1-CG2 4.32Å; Y31-V41 HydrophobicContact CE2-CB 4.49Å; Y31-V41 HydrophobicContact CE2-CG2 3.75Å; Y31-V41 HydrophobicContact CG-CG2 4.16Å; V41-L62 HydrophobicContact CG1-CB 4.33Å; V41-L62 HydrophobicContact CG1-CD2 3.41Å; V41-L62 VanDerWaalsContact CG1-CD2 3.41Å; V41-L62 HydrophobicContact CG1-CG 4.46Å; V41-H82 PolarHBondContact O-ND1 3.04Å; V41-M114 HydrophobicContact CG1-CG 4.32Å; V41-I119 HydrophobicContact CG1-CG2 4.25Å; V41-I119 HydrophobicContact CG2-CG2 4.17Å | ||
| 42 | R | 96 | Very high | 92.4 | Very high | 95 Ų | 95 | 77.5 Ų | 77.5 | 36% | 0.358 | 40% | 0.397 | S | S | . | . | trans | -122.3 | 164 | 180 | -51.6 | -172.2 | 68.5 | 104.1 | -8.4 | 111.7 | V40 E48 Q60 H82 | V40-R42 HydrophobicContact CB-CG 4.3Å; V40-R42 HydrophobicContact CG1-CG 3.85Å; V40-R42 PolarHBondContact O-N 3.27Å; R42-E48 IonicContact NE-OE1 3.91Å; R42-E48 PolarHBondContact NE-OE1 2.63Å; R42-E48 IonicContact NH2-OE1 2.63Å; R42-Q60 VanDerWaalsContact NH2-CB 3.26Å; R42-H82 VanDerWaalsContact CZ-CE1 3.49Å; R42-H82 PolarHBondContact NH1-CE1 2.72Å; R42-H82 VanDerWaalsContact NH1-CE1 3.34Å; R42-H82 PolarHBondContact NH1-NE2 3.23Å | ||
| 43 | R | 96.4 | Very high | 90.9 | Very high | 7 Ų | 7 | 75 Ų | 75 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | trans | -70.5 | 157.4 | 166.6 | -66.5 | 176.9 | 65.3 | -152 | 13.5 | 109.1 | H47 E48 P59 Q60 H61 M105 C106 | R43-H47 HydrophobicContact CB-CB 4.25Å; R43-H47 PolarHBondContact NH1-O 3.1Å; R43-H47 VanDerWaalsContact NH1-O 3.07Å; R43-H47 PolarHBondContact NH2-O 3.49Å; R43-E48 HydrophobicContact CB-CG 3.71Å; R43-P59 VanDerWaalsContact CD-O 3.24Å; R43-P59 WeakPolarHBondContact CD-O 3.42Å; R43-P59 PolarHBondContact NH1-O 3.38Å; R43-Q60 PolarHBondContact N-O 2.81Å; R43-H61 WeakPolarHBondContact CD-O 3.38Å; R43-M105 HydrophobicContact CG-CB 4.41Å; R43-M105 PolarHBondContact NE-O 2.82Å; R43-C106 HydrophobicContact CB-CB 4.34Å; R43-C106 HydrophobicContact CG-CB 4.1Å | ||
| 44 | C | 96.9 | Very high | 89.6 | Confident | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.034 | 41% | 0.408 | C | S | . | . | trans | -72 | 156.4 | 174.8 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | H46 H47 E48 C106 C110 M111 | C44-H46 PolarHBondContact O-N 3.44Å; C44-H47 PolarHBondContact O-N 3.1Å; C44-H47 PolarHBondContact SG-ND1 2.84Å; C44-E48 PolarHBondContact O-N 3.34Å; C44-C106 PolarHBondContact N-SG 3.45Å; C44-C106 VanDerWaalsContact N-SG 3.44Å; C44-C110 HydrophobicContact CB-CB 3.94Å; C44-M111 WeakPolarHBondContact CB-O 3.5Å | ||
| 45 | P | 95.5 | Very high | 88.7 | Confident | 54 Ų | 54 | 75.6 Ų | 75.6 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.9 | -30.4 | -179.3 | -28.1 | 34.4 | 0 | 0 | 0 | 114.2 | R49 G112 | P45-R49 WeakPolarHBondContact O-CG 3.15Å; P45-R49 PolarHBondContact O-N 2.89Å; P45-R49 PolarHBondContact O-NE 2.85Å; P45-R49 PolarHBondContact O-NH1 3.44Å; P45-G112 WeakPolarHBondContact CD-O 3.4Å |
| 46 | H | 94.9 | Very high | 88.1 | Confident | 135 Ų | 135 | 74.2 Ų | 74.2 | 63% | 0.625 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.2 | -44.9 | 174.6 | 179.7 | -85.1 | 0 | 0 | 0 | 112.2 | C44 | C44-H46 PolarHBondContact O-N 3.44Å |
| 47 | H | 94.4 | Very high | 87.9 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 14% | 0.139 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -79 | -31.9 | 179.6 | -73.1 | 147.7 | 0 | 0 | 0 | 112.9 | R43 C44 R49 C50 C106 C110 | R43-H47 HydrophobicContact CB-CB 4.25Å; R43-H47 PolarHBondContact NH1-O 3.1Å; R43-H47 VanDerWaalsContact NH1-O 3.07Å; R43-H47 PolarHBondContact NH2-O 3.49Å; C44-H47 PolarHBondContact O-N 3.1Å; C44-H47 PolarHBondContact SG-ND1 2.84Å; H47-R49 PolarHBondContact O-N 3.37Å; H47-C50 WeakPolarHBondContact O-CB 3.27Å; H47-C50 PolarHBondContact O-N 3.09Å; H47-C50 VanDerWaalsContact O-N 3.14Å; H47-C106 PolarHBondContact ND1-SG 2.88Å; H47-C106 VanDerWaalsContact ND1-SG 3.42Å; H47-C110 PolarHBondContact CE1-SG 2.86Å |
| 48 | E | 93.1 | Very high | 87.9 | Confident | 55 Ų | 55 | 69.2 Ų | 69.2 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.5 | -32.5 | 173.5 | -69.2 | -169.1 | 164.2 | 0 | 0 | 111.9 | R42 R43 C44 C50 P59 Q60 | R42-E48 IonicContact NE-OE1 3.91Å; R42-E48 PolarHBondContact NE-OE1 2.63Å; R42-E48 IonicContact NH2-OE1 2.63Å; R43-E48 HydrophobicContact CB-CG 3.71Å; C44-E48 PolarHBondContact O-N 3.34Å; E48-C50 VanDerWaalsContact C-N 3.33Å; E48-P59 WeakPolarHBondContact O-CB 3.24Å; E48-Q60 WeakPolarHBondContact OE1-CB 3.14Å |
| 49 | R | 91.5 | Very high | 87.8 | Confident | 190 Ų | 190 | 65.7 Ų | 65.7 | 72% | 0.717 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -8.8 | 175.5 | -71 | -174.6 | -67.7 | -96.8 | 4.5 | 114.4 | P45 H47 | P45-R49 WeakPolarHBondContact O-CG 3.15Å; P45-R49 PolarHBondContact O-N 2.89Å; P45-R49 PolarHBondContact O-NE 2.85Å; P45-R49 PolarHBondContact O-NH1 3.44Å; H47-R49 PolarHBondContact O-N 3.37Å |
| 50 | C | 83.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 31% | 0.311 | 35% | 0.35 | S | S | . | . | trans | -73 | 129.8 | 179.4 | -155.3 | 0 | 0 | 0 | 0 | 109.8 | H47 E48 D52 | H47-C50 WeakPolarHBondContact O-CB 3.27Å; H47-C50 PolarHBondContact O-N 3.09Å; H47-C50 VanDerWaalsContact O-N 3.14Å; E48-C50 VanDerWaalsContact C-N 3.33Å; C50-D52 PolarHBondContact O-N 3.06Å; C50-D52 VanDerWaalsContact O-N 3.11Å; C50-D52 PolarHBondContact SG-OD2 3.22Å | ||
| 51 | S | 68.1 | Low | 87.6 | Confident | 111 Ų | 111 | 62.3 Ų | 62.3 | 78% | 0.776 | 34% | 0.342 | S | S | * | . | trans | -75.4 | 9.1 | -174.2 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | S53 | S51-S53 PolarHBondContact O-N 3.39Š| ||
| 52 | D | 67.5 | Low | 87.6 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | trans | -73.9 | 44.3 | 178.6 | -54.6 | -34 | 0 | 0 | 0 | 112.1 | C50 R64 | C50-D52 PolarHBondContact O-N 3.06Å; C50-D52 VanDerWaalsContact O-N 3.11Å; C50-D52 PolarHBondContact SG-OD2 3.22Å; D52-R64 PolarHBondContact O-NH1 2.96Å; D52-R64 PolarHBondContact O-NH2 2.85Å | ||
| 53 | S | 66.7 | Low | 87.7 | Confident | 52 Ų | 52 | 58 Ų | 58 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | trans | -90.4 | 121 | 173.1 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | S51 G55 A57 | S51-S53 PolarHBondContact O-N 3.39Å; S53-G55 PolarHBondContact O-N 3.17Å; S53-G55 PolarHBondContact OG-N 3.02Å; S53-A57 PolarHBondContact OG-O 3.17Å | ||
| 54 | D | 68.7 | Low | 87.6 | Confident | 128 Ų | 128 | 58.1 Ų | 58.1 | 68% | 0.684 | 33% | 0.327 | S | S | * | . | trans | -70.6 | 18.1 | 168.9 | -50.2 | -51.6 | 0 | 0 | 0 | 111.9 | L56 R64 | D54-L56 PolarHBondContact O-N 2.89Å; D54-R64 IonicContact OD2-NH1 3.3Å | ||
| 55 | G | 76.6 | Confident | 87.6 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 70% | 0.701 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 73.3 | -34.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S53 | S53-G55 PolarHBondContact O-N 3.17Å; S53-G55 PolarHBondContact OG-N 3.02Å |
| 56 | L | 84.6 | Confident | 87.4 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 56% | 0.56 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -81.7 | -37.7 | -175.3 | -65.1 | 173.8 | 0 | 0 | 0 | 113.4 | D54 Y73 | D54-L56 PolarHBondContact O-N 2.89Å; L56-Y73 HydrophobicContact CB-CE2 4.48Å; L56-Y73 WeakPolarHBondContact O-CD2 3.16Å |
| 57 | A | 91.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -94.3 | 118.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111 | S53 R64 Y73 | S53-A57 PolarHBondContact OG-O 3.17Å; A57-R64 HydrophobicContact CB-CG 3.89Å; A57-Y73 HydrophobicContact CB-CD1 4.31Å; A57-Y73 HydrophobicContact CB-CD2 4.19Å; A57-Y73 HydrophobicContact CB-CE1 3.8Å; A57-Y73 HydrophobicContact CB-CE2 3.67Å; A57-Y73 HydrophobicContact CB-CG 4.48Å; A57-Y73 VanDerWaalsContact CB-CZ 3.46Å |
| 58 | P | 93 | Very high | 87.1 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 20% | 0.201 | 35% | 0.347 | C | S | . | . | trans | -61.8 | 143 | 179 | -19.5 | 30.3 | 0 | 0 | 0 | 111.3 | Q60 H61 | P58-Q60 VanDerWaalsContact CB-CD 3.49Å; P58-Q60 VanDerWaalsContact CB-NE2 3.31Å; P58-Q60 PolarHBondContact O-N 2.65Å; P58-H61 PolarHBondContact O-N 2.97Å; P58-H61 VanDerWaalsContact O-N 3.1Å | ||
| 59 | P | 93.4 | Very high | 87 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.9 | -172.3 | 24.6 | -34.1 | 0 | 0 | 0 | 114 | R43 E48 | R43-P59 VanDerWaalsContact CD-O 3.24Å; R43-P59 WeakPolarHBondContact CD-O 3.42Å; R43-P59 PolarHBondContact NH1-O 3.38Å; E48-P59 WeakPolarHBondContact O-CB 3.24Å |
| 60 | Q | 94 | Very high | 87.1 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -17.2 | 177.2 | 68.9 | -83 | 10.7 | 0 | 0 | 114.9 | R42 R43 E48 P58 L62 D75 H82 | R42-Q60 VanDerWaalsContact NH2-CB 3.26Å; R43-Q60 PolarHBondContact N-O 2.81Å; E48-Q60 WeakPolarHBondContact OE1-CB 3.14Å; P58-Q60 VanDerWaalsContact CB-CD 3.49Å; P58-Q60 VanDerWaalsContact CB-NE2 3.31Å; P58-Q60 PolarHBondContact O-N 2.65Å; Q60-L62 PolarHBondContact O-N 3.04Å; Q60-D75 PolarHBondContact NE2-OD2 3.33Å; Q60-H82 WeakPolarHBondContact CG-CE1 3.38Å; Q60-H82 PolarHBondContact O-CE1 2.84Å; Q60-H82 PolarHBondContact O-ND1 3.21Å |
| 61 | H | 96.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.009 | 36% | 0.357 | C | S | . | . | trans | -72.3 | 126.6 | -175.5 | -78.9 | -123.8 | 0 | 0 | 0 | 111.5 | R43 P58 Y73 D75 S83 | R43-H61 WeakPolarHBondContact CD-O 3.38Å; P58-H61 PolarHBondContact O-N 2.97Å; P58-H61 VanDerWaalsContact O-N 3.1Å; H61-Y73 HydrophobicContact CB-CD1 4.41Å; H61-Y73 AromaticContact ND1-CD1 3.55Å; H61-D75 IonicContact CD2-OD1 2.94Å; H61-D75 IonicContact CE1-OD1 2.87Å; H61-D75 IonicContact NE2-OD1 3.29Å; H61-D75 PolarHBondContact NE2-OD1 3.4Å; H61-D75 VanDerWaalsContact NE2-OD1 3.11Å; H61-D75 IonicContact NE2-OD2 3.28Å; H61-S83 PolarHBondContact CE1-O 3.44Å; H61-S83 VanDerWaalsContact CE1-O 3.32Å | ||
| 62 | L | 97.1 | Very high | 89 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -72 | -44.2 | 175.2 | 177.4 | 64.6 | 0 | 0 | 0 | 112 | A29 V41 Q60 Y104 M105 C106 M114 I119 | A29-L62 HydrophobicContact CB-CD2 4.15Å; V41-L62 HydrophobicContact CG1-CB 4.33Å; V41-L62 HydrophobicContact CG1-CD2 3.41Å; V41-L62 VanDerWaalsContact CG1-CD2 3.41Å; V41-L62 HydrophobicContact CG1-CG 4.46Å; Q60-L62 PolarHBondContact O-N 3.04Å; L62-Y104 HydrophobicContact CD2-CD1 4.34Å; L62-Y104 HydrophobicContact CG-CD1 4.23Å; L62-Y104 WeakPolarHBondContact O-CA 3.27Å; L62-M105 PolarHBondContact O-N 3.14Å; L62-C106 HydrophobicContact CD1-CB 3.54Å; L62-M114 HydrophobicContact CD1-CE 3.94Å; L62-M114 HydrophobicContact CD2-CE 4.08Å; L62-M114 HydrophobicContact CD2-SD 4.11Å; L62-I119 HydrophobicContact CD2-CD1 3.62Å |
| 63 | I | 97.4 | Very high | 90.4 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.8 | -176.3 | -53.7 | 175.3 | 0 | 0 | 0 | 108.5 | A27 A29 V84 Y102 N103 Y104 T121 | A27-I63 HydrophobicContact CB-CD1 4.47Å; A29-I63 HydrophobicContact CB-CD1 3.94Å; A29-I63 HydrophobicContact CB-CG1 4.37Å; I63-V84 HydrophobicContact CB-CG1 4.3Å; I63-V84 HydrophobicContact CG2-CG1 3.8Å; I63-Y102 HydrophobicContact CG2-CD1 3.58Å; I63-Y102 HydrophobicContact CG2-CE1 4.23Å; I63-Y102 HydrophobicContact CG2-CG 4.38Å; I63-N103 CarbonylContact C-O 3.48Å; I63-N103 WeakPolarHBondContact CA-O 3.44Å; I63-Y104 HydrophobicContact CD1-CE1 4.28Å; I63-Y104 HydrophobicContact CG1-CD1 4.24Å; I63-Y104 HydrophobicContact CG1-CE1 3.83Å; I63-T121 HydrophobicContact CD1-CG2 4Å |
| 64 | R | 95.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 3% | 0.034 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 155.4 | 169.5 | -67.1 | -171.4 | -177.8 | -178.9 | 2.8 | 110.7 | D52 D54 A57 Y73 Y102 N103 M105 | D52-R64 PolarHBondContact O-NH1 2.96Å; D52-R64 PolarHBondContact O-NH2 2.85Å; D54-R64 IonicContact OD2-NH1 3.3Å; A57-R64 HydrophobicContact CB-CG 3.89Å; R64-Y73 WeakPolarHBondContact CA-OH 3.34Å; R64-Y73 HydrophobicContact CB-CE1 4.43Å; R64-Y73 WeakPolarHBondContact CB-OH 3.32Å; R64-Y73 HydrophobicContact CG-CE1 4.22Å; R64-Y102 CarbonylContact O-C 3.58Å; R64-Y102 WeakPolarHBondContact O-CA 3.06Å; R64-N103 HydrophobicContact CB-CB 4.1Å; R64-N103 PolarHBondContact N-O 3.37Å; R64-N103 PolarHBondContact O-N 3.31Å; R64-M105 HydrophobicContact CB-CG 4.38Å; R64-M105 HydrophobicContact CG-CG 3.73Å |
| 65 | V | 96 | Very high | 93.1 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 9% | 0.085 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.1 | 170.3 | 175.6 | 0 | 0 | 0 | 0 | 108.7 | N68 V71 Y73 V84 V86 I100 H101 Y102 | V65-N68 HydrophobicContact CG1-CB 3.93Å; V65-V71 HydrophobicContact CB-CB 4.47Å; V65-V71 HydrophobicContact CB-CG2 3.9Å; V65-V71 HydrophobicContact CG2-CG2 4.21Å; V65-Y73 PolarHBondContact N-OH 2.94Å; V65-V84 HydrophobicContact CB-CG2 4.36Å; V65-V84 HydrophobicContact CG2-CB 4.5Å; V65-V84 HydrophobicContact CG2-CG1 4.04Å; V65-V84 HydrophobicContact CG2-CG2 3.62Å; V65-V86 HydrophobicContact CB-CG2 4.28Å; V65-V86 HydrophobicContact CG1-CG2 3.98Å; V65-V86 HydrophobicContact CG2-CG2 3.85Å; V65-I100 HydrophobicContact CG1-CG2 3.99Å; V65-I100 HydrophobicContact CG2-CG2 4.2Å; V65-H101 WeakPolarHBondContact CA-O 3.19Å; V65-Y102 HydrophobicContact CG2-CD1 3.76Å; V65-Y102 HydrophobicContact CG2-CE1 3.64Å |
| 66 | E | 92.5 | Very high | 94 | Very high | 88 Ų | 88 | 54.4 Ų | 54.4 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 146.9 | 178.8 | -172.5 | 174.9 | 172.3 | 0 | 0 | 110.9 | T8 N68 H101 N103 | T8-E66 WeakPolarHBondContact CG2-OE2 3.32Å; T8-E66 PolarHBondContact OG1-OE2 2.98Å; E66-N68 VanDerWaalsContact C-N 3.27Å; E66-N68 PolarHBondContact O-N 2.73Å; E66-H101 HydrophobicContact CB-CB 4.14Å; E66-H101 PolarHBondContact N-O 2.92Å; E66-N103 PolarHBondContact OE2-ND2 2.73Å |
| 67 | G | 90.5 | Very high | 94.5 | Very high | 83 Ų | 83 | 59.9 Ų | 59.9 | 86% | 0.856 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 71.9 | 12.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 68 | N | 91 | Very high | 94.7 | Very high | 43 Ų | 43 | 66.8 Ų | 66.8 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | trans | -129.6 | 115.9 | 177.8 | -162.8 | -48.9 | 0 | 0 | 0 | 111.6 | V65 E66 R70 V71 V86 | V65-N68 HydrophobicContact CG1-CB 3.93Å; E66-N68 VanDerWaalsContact C-N 3.27Å; E66-N68 PolarHBondContact O-N 2.73Å; N68-R70 WeakPolarHBondContact OD1-CA 3.42Å; N68-R70 WeakPolarHBondContact OD1-CB 3.34Å; N68-R70 PolarHBondContact OD1-N 3.35Å; N68-V71 WeakPolarHBondContact O-CG1 3.49Å; N68-V86 HydrophobicContact CB-CG1 4.48Å; N68-V86 WeakPolarHBondContact ND2-CG1 3.25Å | ||
| 69 | L | 91.6 | Very high | 94.8 | Very high | 162 Ų | 162 | 68.7 Ų | 68.7 | 85% | 0.848 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.7 | 179.9 | -63 | 177.5 | 0 | 0 | 0 | 113.6 | V71 | L69-V71 PolarHBondContact O-N 3.41Š|
| 70 | R | 94.2 | Very high | 94.9 | Very high | 137 Ų | 137 | 72.9 Ų | 72.9 | 52% | 0.517 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 14.1 | 177.2 | -59.5 | -171.3 | -71 | -104.6 | -2.2 | 112.4 | N68 P87 E89 | N68-R70 WeakPolarHBondContact OD1-CA 3.42Å; N68-R70 WeakPolarHBondContact OD1-CB 3.34Å; N68-R70 PolarHBondContact OD1-N 3.35Å; R70-P87 HydrophobicContact CB-CG 3.85Å; R70-P87 WeakPolarHBondContact O-CD 3.36Å; R70-E89 IonicContact CZ-OE1 3.94Å; R70-E89 VanDerWaalsContact CZ-OE1 3.28Å; R70-E89 IonicContact NE-OE1 2.92Å; R70-E89 IonicContact NH2-OE1 3.11Å; R70-E89 PolarHBondContact NH2-OE1 2.65Å; R70-E89 IonicContact NH2-OE2 3.6Å; R70-E89 PolarHBondContact NH2-OE2 2.97Å |
| 71 | V | 95.9 | Very high | 95.1 | Very high | 19 Ų | 19 | 73.8 Ų | 73.8 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | trans | -70.2 | 134.7 | 177.1 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | V65 N68 L69 Y73 V84 V85 V86 | V65-V71 HydrophobicContact CB-CB 4.47Å; V65-V71 HydrophobicContact CB-CG2 3.9Å; V65-V71 HydrophobicContact CG2-CG2 4.21Å; N68-V71 WeakPolarHBondContact O-CG1 3.49Å; L69-V71 PolarHBondContact O-N 3.41Å; V71-Y73 HydrophobicContact CB-CE2 4.42Å; V71-Y73 HydrophobicContact CG1-CD2 4.43Å; V71-Y73 HydrophobicContact CG1-CE2 3.74Å; V71-Y73 HydrophobicContact CG2-CD2 4.22Å; V71-Y73 HydrophobicContact CG2-CE2 3.73Å; V71-V84 HydrophobicContact CG2-CG2 3.21Å; V71-V85 WeakPolarHBondContact CA-O 3.2Å; V71-V86 HydrophobicContact CB-CG2 4.34Å; V71-V86 HydrophobicContact CG2-CG2 4.11Å | ||
| 72 | E | 95.8 | Very high | 95.1 | Very high | 108 Ų | 108 | 74.4 Ų | 74.4 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.9 | 172.5 | -67.6 | 178.6 | -170.2 | 0 | 0 | 109.8 | V84 V85 | E72-V84 CarbonylContact O-C 3.52Å; E72-V84 WeakPolarHBondContact O-CA 3.41Å; E72-V85 HydrophobicContact CB-CB 4.39Å; E72-V85 PolarHBondContact N-O 3.45Å; E72-V85 PolarHBondContact O-N 2.85Å |
| 73 | Y | 96.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 74.9 Ų | 74.9 | 15% | 0.145 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 121.6 | 172.2 | -68.1 | -86.1 | 0 | 0 | 0 | 109 | L56 A57 H61 R64 V65 V71 V84 | L56-Y73 HydrophobicContact CB-CE2 4.48Å; L56-Y73 WeakPolarHBondContact O-CD2 3.16Å; A57-Y73 HydrophobicContact CB-CD1 4.31Å; A57-Y73 HydrophobicContact CB-CD2 4.19Å; A57-Y73 HydrophobicContact CB-CE1 3.8Å; A57-Y73 HydrophobicContact CB-CE2 3.67Å; A57-Y73 HydrophobicContact CB-CG 4.48Å; A57-Y73 VanDerWaalsContact CB-CZ 3.46Å; H61-Y73 HydrophobicContact CB-CD1 4.41Å; H61-Y73 AromaticContact ND1-CD1 3.55Å; R64-Y73 WeakPolarHBondContact CA-OH 3.34Å; R64-Y73 HydrophobicContact CB-CE1 4.43Å; R64-Y73 WeakPolarHBondContact CB-OH 3.32Å; R64-Y73 HydrophobicContact CG-CE1 4.22Å; V65-Y73 PolarHBondContact N-OH 2.94Å; V71-Y73 HydrophobicContact CB-CE2 4.42Å; V71-Y73 HydrophobicContact CG1-CD2 4.43Å; V71-Y73 HydrophobicContact CG1-CE2 3.74Å; V71-Y73 HydrophobicContact CG2-CD2 4.22Å; V71-Y73 HydrophobicContact CG2-CE2 3.73Å; Y73-V84 HydrophobicContact CD1-CB 4.12Å; Y73-V84 HydrophobicContact CD1-CG2 3.92Å; Y73-V84 HydrophobicContact CE1-CB 4.13Å; Y73-V84 HydrophobicContact CE1-CG2 3.7Å |
| 74 | L | 95.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 74.5 Ų | 74.5 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.5 | -173.2 | -62.1 | 174.6 | 0 | 0 | 0 | 111.4 | S83 V85 | L74-S83 PolarHBondContact N-O 3.1Å; L74-S83 PolarHBondContact O-N 3.27Å; L74-V85 HydrophobicContact CD1-CB 4.46Å; L74-V85 HydrophobicContact CD1-CG2 3.66Å |
| 75 | D | 96 | Very high | 95.2 | Very high | 75 Ų | 75 | 74.2 Ų | 74.2 | 40% | 0.401 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 109.7 | 166.2 | -71.8 | -42.7 | 0 | 0 | 0 | 108.8 | Q60 H61 R77 H82 | Q60-D75 PolarHBondContact NE2-OD2 3.33Å; H61-D75 IonicContact CD2-OD1 2.94Å; H61-D75 IonicContact CE1-OD1 2.87Å; H61-D75 IonicContact NE2-OD1 3.29Å; H61-D75 PolarHBondContact NE2-OD1 3.4Å; H61-D75 VanDerWaalsContact NE2-OD1 3.11Å; H61-D75 IonicContact NE2-OD2 3.28Å; D75-R77 PolarHBondContact O-N 3.27Å; D75-H82 IonicContact OD1-CD2 2.73Å; D75-H82 PolarHBondContact OD1-CD2 3.45Å; D75-H82 IonicContact OD1-CG 2.65Å; D75-H82 IonicContact OD1-NE2 3.89Å |
| 76 | D | 95.4 | Very high | 95.3 | Very high | 68 Ų | 68 | 73.7 Ų | 73.7 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | trans | -68.7 | 122 | 179.9 | -176.3 | -81.1 | 0 | 0 | 0 | 110.7 | N78 T79 F80 R81 | D76-N78 VanDerWaalsContact C-N 3.27Å; D76-N78 PolarHBondContact O-N 2.78Å; D76-N78 PolarHBondContact OD1-N 2.86Å; D76-T79 WeakPolarHBondContact CB-OG1 3.33Å; D76-T79 WeakPolarHBondContact OD1-CB 3.3Å; D76-T79 PolarHBondContact OD1-N 3.41Å; D76-T79 PolarHBondContact OD1-OG1 3.44Å; D76-F80 WeakPolarHBondContact O-CA 3.25Å; D76-F80 PolarHBondContact O-N 3.1Å; D76-R81 PolarHBondContact N-O 2.9Å | ||
| 77 | R | 95.2 | Very high | 95.5 | Very high | 223 Ų | 223 | 71.6 Ų | 71.6 | 84% | 0.842 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20.1 | -173.8 | -65.6 | -172.9 | 178.2 | -169.7 | -0.1 | 114.5 | D75 | D75-R77 PolarHBondContact O-N 3.27Š|
| 78 | N | 95.7 | Very high | 95.8 | Very high | 145 Ų | 145 | 68.7 Ų | 68.7 | 78% | 0.775 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -40.9 | -175.4 | -63.3 | -34.1 | 0 | 0 | 0 | 111.5 | D76 | D76-N78 VanDerWaalsContact C-N 3.27Å; D76-N78 PolarHBondContact O-N 2.78Å; D76-N78 PolarHBondContact OD1-N 2.86Å |
| 79 | T | 94.9 | Very high | 95.9 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 44% | 0.436 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -10.6 | -175.3 | 66.2 | 0 | 0 | 0 | 0 | 113 | D76 R81 | D76-T79 WeakPolarHBondContact CB-OG1 3.33Å; D76-T79 WeakPolarHBondContact OD1-CB 3.3Å; D76-T79 PolarHBondContact OD1-N 3.41Å; D76-T79 PolarHBondContact OD1-OG1 3.44Å; T79-R81 PolarHBondContact O-N 2.97Å; T79-R81 VanDerWaalsContact O-N 3.1Å; T79-R81 PolarHBondContact OG1-N 2.88Å |
| 80 | F | 95.7 | Very high | 96 | Very high | 140 Ų | 140 | 65.9 Ų | 65.9 | 61% | 0.614 | 32% | 0.315 | S | S | * | . | trans | 58.9 | 14.8 | -174.9 | -52.9 | -77 | 0 | 0 | 0 | 114 | V40 D76 | V40-F80 VanDerWaalsContact CG1-O 3.29Å; V40-F80 WeakPolarHBondContact CG1-O 3.46Å; V40-F80 HydrophobicContact CG2-CB 4.03Å; V40-F80 WeakPolarHBondContact CG2-O 3.36Å; D76-F80 WeakPolarHBondContact O-CA 3.25Å; D76-F80 PolarHBondContact O-N 3.1Å | ||
| 81 | R | 97.2 | Very high | 95.9 | Very high | 53 Ų | 53 | 61.3 Ų | 61.3 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | trans | -78.2 | 136.9 | -177.9 | -68.2 | -172.5 | -178.4 | -78.9 | 0.6 | 110.7 | M37 V40 D76 T79 | M37-R81 PolarHBondContact O-NH2 2.97Å; V40-R81 HydrophobicContact CG2-CG 4.47Å; D76-R81 PolarHBondContact N-O 2.9Å; T79-R81 PolarHBondContact O-N 2.97Å; T79-R81 VanDerWaalsContact O-N 3.1Å; T79-R81 PolarHBondContact OG1-N 2.88Å | ||
| 82 | H | 97.5 | Very high | 95.8 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 7% | 0.069 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 135.9 | 173.3 | -50 | 158.8 | 0 | 0 | 0 | 109.6 | V41 R42 Q60 D75 | V41-H82 PolarHBondContact O-ND1 3.04Å; R42-H82 VanDerWaalsContact CZ-CE1 3.49Å; R42-H82 PolarHBondContact NH1-CE1 2.72Å; R42-H82 VanDerWaalsContact NH1-CE1 3.34Å; R42-H82 PolarHBondContact NH1-NE2 3.23Å; Q60-H82 WeakPolarHBondContact CG-CE1 3.38Å; Q60-H82 PolarHBondContact O-CE1 2.84Å; Q60-H82 PolarHBondContact O-ND1 3.21Å; D75-H82 IonicContact OD1-CD2 2.73Å; D75-H82 PolarHBondContact OD1-CD2 3.45Å; D75-H82 IonicContact OD1-CG 2.65Å; D75-H82 IonicContact OD1-NE2 3.89Å |
| 83 | S | 97.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 70.9 Ų | 70.9 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 161.3 | 171.2 | 61 | 0 | 0 | 0 | 0 | 110.8 | R26 A27 H61 L74 | R26-S83 PolarHBondContact NH1-OG 2.93Å; A27-S83 WeakPolarHBondContact O-CA 3.06Å; H61-S83 PolarHBondContact CE1-O 3.44Å; H61-S83 VanDerWaalsContact CE1-O 3.32Å; L74-S83 PolarHBondContact N-O 3.1Å; L74-S83 PolarHBondContact O-N 3.27Å |
| 84 | V | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.006 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 136 | 172.3 | 62.4 | 0 | 0 | 0 | 0 | 108.3 | R26 A27 I63 V65 V71 E72 Y73 Y102 | R26-V84 CarbonylContact C-O 3.58Å; R26-V84 VanDerWaalsContact CA-O 3.31Å; R26-V84 WeakPolarHBondContact CA-O 3.39Å; A27-V84 HydrophobicContact CB-CG1 3.87Å; A27-V84 PolarHBondContact N-O 3.3Å; A27-V84 PolarHBondContact O-N 2.66Å; I63-V84 HydrophobicContact CB-CG1 4.3Å; I63-V84 HydrophobicContact CG2-CG1 3.8Å; V65-V84 HydrophobicContact CB-CG2 4.36Å; V65-V84 HydrophobicContact CG2-CB 4.5Å; V65-V84 HydrophobicContact CG2-CG1 4.04Å; V65-V84 HydrophobicContact CG2-CG2 3.62Å; V71-V84 HydrophobicContact CG2-CG2 3.21Å; E72-V84 CarbonylContact O-C 3.52Å; E72-V84 WeakPolarHBondContact O-CA 3.41Å; Y73-V84 HydrophobicContact CD1-CB 4.12Å; Y73-V84 HydrophobicContact CD1-CG2 3.92Å; Y73-V84 HydrophobicContact CE1-CB 4.13Å; Y73-V84 HydrophobicContact CE1-CG2 3.7Å; V84-Y102 HydrophobicContact CG1-CE1 4.2Å |
| 85 | V | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 73.3 Ų | 73.3 | 2% | 0.024 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.8 | -176.3 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | R24 V25 R26 V71 E72 L74 | R24-V85 HydrophobicContact CB-CG1 3.72Å; R24-V85 HydrophobicContact CG-CG1 3.86Å; V25-V85 CarbonylContact O-C 3.56Å; V25-V85 WeakPolarHBondContact O-CA 3.48Å; R26-V85 HydrophobicContact CB-CG2 3.93Å; R26-V85 HydrophobicContact CG-CG2 3.92Å; V71-V85 WeakPolarHBondContact CA-O 3.2Å; E72-V85 HydrophobicContact CB-CB 4.39Å; E72-V85 PolarHBondContact N-O 3.45Å; E72-V85 PolarHBondContact O-N 2.85Å; L74-V85 HydrophobicContact CD1-CB 4.46Å; L74-V85 HydrophobicContact CD1-CG2 3.66Å |
| 86 | V | 97.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.018 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.2 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | R24 V25 V65 N68 V71 Y88 I100 | R24-V86 CarbonylContact C-O 3.58Å; R24-V86 WeakPolarHBondContact CA-O 3.37Å; V25-V86 PolarHBondContact N-O 3.38Å; V25-V86 PolarHBondContact O-N 3.37Å; V65-V86 HydrophobicContact CB-CG2 4.28Å; V65-V86 HydrophobicContact CG1-CG2 3.98Å; V65-V86 HydrophobicContact CG2-CG2 3.85Å; N68-V86 HydrophobicContact CB-CG1 4.48Å; N68-V86 WeakPolarHBondContact ND2-CG1 3.25Å; V71-V86 HydrophobicContact CB-CG2 4.34Å; V71-V86 HydrophobicContact CG2-CG2 4.11Å; V86-Y88 PolarHBondContact O-N 2.89Å; V86-I100 HydrophobicContact CB-CD1 4.41Å |
| 87 | P | 96.7 | Very high | 95.2 | Very high | 44 Ų | 44 | 71.7 Ų | 71.7 | 29% | 0.286 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 134.9 | 170.2 | -26.2 | 35.3 | 0 | 0 | 0 | 111 | R70 E89 | R70-P87 HydrophobicContact CB-CG 3.85Å; R70-P87 WeakPolarHBondContact O-CD 3.36Å; P87-E89 PolarHBondContact O-N 3.48Å |
| 88 | Y | 96.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 62.1 Ų | 62.1 | 8% | 0.082 | 36% | 0.357 | C | S | . | . | trans | -69.9 | 124.2 | 173.4 | 172.7 | -94.3 | 0 | 0 | 0 | 109 | V15 T18 P19 T23 V25 V86 P90 L125 | V15-Y88 HydrophobicContact CG1-CE2 4.44Å; V15-Y88 VanDerWaalsContact CG2-OH 3.25Å; V15-Y88 WeakPolarHBondContact CG2-OH 3.48Å; T18-Y88 HydrophobicContact CG2-CE1 4.45Å; P19-Y88 HydrophobicContact CG-CD1 4.24Å; P19-Y88 HydrophobicContact CG-CE1 4.04Å; T23-Y88 HydrophobicContact CG2-CG 4.32Å; T23-Y88 WeakPolarHBondContact O-CB 3.49Å; T23-Y88 PolarHBondContact O-N 2.93Å; V25-Y88 HydrophobicContact CG2-CD2 4.15Å; V86-Y88 PolarHBondContact O-N 2.89Å; Y88-P90 HydrophobicContact CE1-CG 4.45Å; Y88-L125 HydrophobicContact CD2-CD1 4.18Å; Y88-L125 HydrophobicContact CG-CD1 4.45Å | ||
| 89 | E | 94 | Very high | 95.2 | Very high | 75 Ų | 75 | 58 Ų | 58 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | trans | -105 | 133.6 | 171.5 | -62.6 | -59.9 | 143.1 | 0 | 0 | 108.9 | R70 P87 T98 | R70-E89 IonicContact CZ-OE1 3.94Å; R70-E89 VanDerWaalsContact CZ-OE1 3.28Å; R70-E89 IonicContact NE-OE1 2.92Å; R70-E89 IonicContact NH2-OE1 3.11Å; R70-E89 PolarHBondContact NH2-OE1 2.65Å; R70-E89 IonicContact NH2-OE2 3.6Å; R70-E89 PolarHBondContact NH2-OE2 2.97Å; P87-E89 PolarHBondContact O-N 3.48Å; E89-T98 HydrophobicContact CB-CG2 4.42Å; E89-T98 WeakPolarHBondContact O-CB 3.22Å; E89-T98 VanDerWaalsContact O-CG2 3.3Å; E89-T98 WeakPolarHBondContact O-CG2 3.4Å; E89-T98 PolarHBondContact O-OG1 3.47Å | ||
| 90 | P | 93 | Very high | 95.3 | Very high | 72 Ų | 72 | 55.3 Ų | 55.3 | 47% | 0.468 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 152.1 | 168.8 | -23.8 | 34.4 | 0 | 0 | 0 | 111.4 | T18 Y88 | T18-P90 HydrophobicContact CG2-CG 4.4Å; Y88-P90 HydrophobicContact CE1-CG 4.45Å |
| 91 | P | 93.9 | Very high | 95.3 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 27% | 0.266 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -54 | 143.8 | 175.7 | -26.4 | 35.3 | 0 | 0 | 0 | 112.1 | S95 | P91-S95 WeakPolarHBondContact CB-O 3.48Š|
| 92 | E | 92.6 | Very high | 95.3 | Very high | 167 Ų | 167 | 49.9 Ų | 49.9 | 78% | 0.78 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 154.1 | 172.1 | -65.1 | -178.3 | -176.1 | 0 | 0 | 110.6 | G94 S95 | E92-G94 PolarHBondContact O-N 3.2Å; E92-S95 WeakPolarHBondContact O-CB 3.37Å; E92-S95 PolarHBondContact O-N 3.25Å |
| 93 | V | 93.1 | Very high | 95.3 | Very high | 161 Ų | 161 | 50 Ų | 50 | 98% | 0.976 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 117.7 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 94 | G | 92.8 | Very high | 95.3 | Very high | 91 Ų | 91 | 49.4 Ų | 49.4 | 94% | 0.938 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.1 | -3.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E92 | E92-G94 PolarHBondContact O-N 3.2Š|
| 95 | S | 93.2 | Very high | 95.2 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 39% | 0.392 | 30% | 0.3 | S | S | . | . | trans | -101.3 | 147.8 | 168.5 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | P91 E92 C97 | P91-S95 WeakPolarHBondContact CB-O 3.48Å; E92-S95 WeakPolarHBondContact O-CB 3.37Å; E92-S95 PolarHBondContact O-N 3.25Å; S95-C97 PolarHBondContact OG-N 3.02Å; S95-C97 PolarHBondContact OG-O 3.46Å | ||
| 96 | D | 93.2 | Very high | 95.2 | Very high | 103 Ų | 103 | 50.1 Ų | 50.1 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -96.4 | -11.3 | 172.7 | 51.4 | 11.4 | 0 | 0 | 0 | 113 | W14 | W14-D96 HydrophobicContact CH2-CB 4.3Å; W14-D96 VanDerWaalsContact CH2-OD1 3.29Å; W14-D96 WeakPolarHBondContact CH2-OD1 3.37Å; W14-D96 WeakPolarHBondContact CH2-OD2 3.32Å; W14-D96 HydrophobicContact CZ3-CB 3.84Å; W14-D96 VanDerWaalsContact CZ3-OD2 3.25Å; W14-D96 WeakPolarHBondContact CZ3-OD2 3.29Å |
| 97 | C | 94.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -140.8 | 160.7 | -176.3 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | Q12 L13 W14 S95 | Q12-C97 HydrophobicContact CB-CB 4.47Å; L13-C97 WeakPolarHBondContact O-CA 3.34Å; L13-C97 VanDerWaalsContact O-CB 3.29Å; L13-C97 WeakPolarHBondContact O-CB 3.33Å; W14-C97 HydrophobicContact CD2-CB 3.8Å; W14-C97 HydrophobicContact CE3-CB 4.19Å; W14-C97 HydrophobicContact CG-CB 4.16Å; W14-C97 HydrophobicContact CZ2-CB 4.11Å; S95-C97 PolarHBondContact OG-N 3.02Å; S95-C97 PolarHBondContact OG-O 3.46Å |
| 98 | T | 94.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 14% | 0.135 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.4 | 175.2 | -54.7 | 0 | 0 | 0 | 0 | 109.3 | L13 E89 | L13-T98 WeakPolarHBondContact CB-O 3.49Å; L13-T98 PolarHBondContact N-O 3.38Å; L13-T98 PolarHBondContact O-N 3.23Å; L13-T98 VanDerWaalsContact O-N 3.11Å; E89-T98 HydrophobicContact CB-CG2 4.42Å; E89-T98 WeakPolarHBondContact O-CB 3.22Å; E89-T98 VanDerWaalsContact O-CG2 3.3Å; E89-T98 WeakPolarHBondContact O-CG2 3.4Å; E89-T98 PolarHBondContact O-OG1 3.47Å |
| 99 | T | 96 | Very high | 95.3 | Very high | 60 Ų | 60 | 52.7 Ų | 52.7 | 37% | 0.368 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.4 | -179.1 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | P10 | P10-T99 HydrophobicContact CB-CG2 3.8Å |
| 100 | I | 96.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.6 | 169.5 | -57.9 | -174.7 | 0 | 0 | 0 | 109.6 | V11 L13 V25 V65 V86 Y102 | V11-I100 PolarHBondContact N-O 3.15Å; V11-I100 PolarHBondContact O-N 3.19Å; L13-I100 HydrophobicContact CD1-CD1 3.57Å; L13-I100 HydrophobicContact CD1-CG1 3.89Å; L13-I100 HydrophobicContact CG-CD1 4.47Å; L13-I100 HydrophobicContact CG-CG1 4.47Å; V25-I100 HydrophobicContact CB-CD1 3.97Å; V25-I100 HydrophobicContact CG1-CD1 3.89Å; V25-I100 HydrophobicContact CG2-CD1 4.29Å; V65-I100 HydrophobicContact CG1-CG2 3.99Å; V65-I100 HydrophobicContact CG2-CG2 4.2Å; V86-I100 HydrophobicContact CB-CD1 4.41Å; I100-Y102 HydrophobicContact CB-CD2 4.44Å; I100-Y102 HydrophobicContact CB-CE2 3.82Å; I100-Y102 HydrophobicContact CG2-CD1 4.27Å; I100-Y102 HydrophobicContact CG2-CD2 4.1Å; I100-Y102 HydrophobicContact CG2-CE1 3.8Å; I100-Y102 HydrophobicContact CG2-CE2 3.61Å; I100-Y102 HydrophobicContact CG2-CG 4.42Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.45Å |
| 101 | H | 96.9 | Very high | 95.7 | Very high | 78 Ų | 78 | 54.3 Ų | 54.3 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 105 | 179.9 | -63 | 117.4 | 0 | 0 | 0 | 110.8 | T8 V65 E66 | T8-H101 HydrophobicContact CG2-CB 3.61Å; V65-H101 WeakPolarHBondContact CA-O 3.19Å; E66-H101 HydrophobicContact CB-CB 4.14Å; E66-H101 PolarHBondContact N-O 2.92Å |
| 102 | Y | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 142.2 | 178.9 | -66.9 | -72.7 | 0 | 0 | 0 | 112.4 | C9 V11 A27 I63 R64 V65 V84 I100 I123 | C9-Y102 WeakPolarHBondContact CA-O 3.49Å; C9-Y102 VanDerWaalsContact CB-O 3.32Å; C9-Y102 WeakPolarHBondContact CB-O 3.4Å; C9-Y102 PolarHBondContact N-O 2.95Å; C9-Y102 PolarHBondContact O-N 2.96Å; V11-Y102 HydrophobicContact CB-CD2 3.94Å; V11-Y102 HydrophobicContact CB-CE2 3.98Å; V11-Y102 HydrophobicContact CG2-CD2 3.69Å; V11-Y102 HydrophobicContact CG2-CE2 4.15Å; A27-Y102 HydrophobicContact CB-CD1 4.39Å; A27-Y102 HydrophobicContact CB-CE1 3.52Å; I63-Y102 HydrophobicContact CG2-CD1 3.58Å; I63-Y102 HydrophobicContact CG2-CE1 4.23Å; I63-Y102 HydrophobicContact CG2-CG 4.38Å; R64-Y102 CarbonylContact O-C 3.58Å; R64-Y102 WeakPolarHBondContact O-CA 3.06Å; V65-Y102 HydrophobicContact CG2-CD1 3.76Å; V65-Y102 HydrophobicContact CG2-CE1 3.64Å; V84-Y102 HydrophobicContact CG1-CE1 4.2Å; I100-Y102 HydrophobicContact CB-CD2 4.44Å; I100-Y102 HydrophobicContact CB-CE2 3.82Å; I100-Y102 HydrophobicContact CG2-CD1 4.27Å; I100-Y102 HydrophobicContact CG2-CD2 4.1Å; I100-Y102 HydrophobicContact CG2-CE1 3.8Å; I100-Y102 HydrophobicContact CG2-CE2 3.61Å; I100-Y102 HydrophobicContact CG2-CG 4.42Å; I100-Y102 VanDerWaalsContact CG2-CZ 3.45Å; Y102-I123 HydrophobicContact CE2-CD1 4.07Å |
| 103 | N | 96.5 | Very high | 95.9 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.1 | 173.2 | -78.8 | -30.2 | 0 | 0 | 0 | 110.3 | K7 T8 I63 R64 E66 M105 | K7-N103 PolarHBondContact O-OD1 3.18Å; T8-N103 WeakPolarHBondContact CA-OD1 3.47Å; T8-N103 PolarHBondContact N-OD1 2.9Å; I63-N103 CarbonylContact C-O 3.48Å; I63-N103 WeakPolarHBondContact CA-O 3.44Å; R64-N103 HydrophobicContact CB-CB 4.1Å; R64-N103 PolarHBondContact N-O 3.37Å; R64-N103 PolarHBondContact O-N 3.31Å; E66-N103 PolarHBondContact OE2-ND2 2.73Å; N103-M105 HydrophobicContact CB-SD 4.06Å |
| 104 | Y | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.6 | 175.5 | -66.3 | -99.1 | 0 | 0 | 0 | 110.1 | M1 A6 L62 I63 T121 V140 V142 | M1-Y104 HydrophobicContact CE-CD2 4.14Å; M1-Y104 HydrophobicContact CE-CE2 3.32Å; A6-Y104 PolarHBondContact N-O 3.12Å; L62-Y104 HydrophobicContact CD2-CD1 4.34Å; L62-Y104 HydrophobicContact CG-CD1 4.23Å; L62-Y104 WeakPolarHBondContact O-CA 3.27Å; I63-Y104 HydrophobicContact CD1-CE1 4.28Å; I63-Y104 HydrophobicContact CG1-CD1 4.24Å; I63-Y104 HydrophobicContact CG1-CE1 3.83Å; Y104-T121 WeakPolarHBondContact CE1-OG1 3.46Å; Y104-T121 PolarHBondContact OH-OG1 2.79Å; Y104-V140 HydrophobicContact CD1-CG1 4.01Å; Y104-V140 HydrophobicContact CD2-CG1 4.38Å; Y104-V140 HydrophobicContact CE1-CB 4.21Å; Y104-V140 HydrophobicContact CE1-CG1 3.78Å; Y104-V140 HydrophobicContact CE1-CG2 4.13Å; Y104-V140 HydrophobicContact CE2-CG1 4.21Å; Y104-V140 HydrophobicContact CG-CG1 4.31Å; Y104-V142 HydrophobicContact CD1-CG2 4.17Å; Y104-V142 HydrophobicContact CG-CG2 3.94Å |
| 105 | M | 96.2 | Very high | 96.3 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | trans | -102.6 | 18.8 | -164.4 | -56.1 | -54.7 | -71.9 | 0 | 0 | 114.1 | A6 R43 L62 R64 N103 | A6-M105 HydrophobicContact CB-CE 3.94Å; A6-M105 HydrophobicContact CB-SD 3.85Å; R43-M105 HydrophobicContact CG-CB 4.41Å; R43-M105 PolarHBondContact NE-O 2.82Å; L62-M105 PolarHBondContact O-N 3.14Å; R64-M105 HydrophobicContact CB-CG 4.38Å; R64-M105 HydrophobicContact CG-CG 3.73Å; N103-M105 HydrophobicContact CB-SD 4.06Å | ||
| 106 | C | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -152 | 142.3 | 171.5 | -158.4 | 0 | 0 | 0 | 0 | 110.7 | L5 R43 C44 H47 L62 C110 M114 V142 | L5-C106 VanDerWaalsContact CD1-CA 3.41Å; R43-C106 HydrophobicContact CB-CB 4.34Å; R43-C106 HydrophobicContact CG-CB 4.1Å; C44-C106 PolarHBondContact N-SG 3.45Å; C44-C106 VanDerWaalsContact N-SG 3.44Å; H47-C106 PolarHBondContact ND1-SG 2.88Å; H47-C106 VanDerWaalsContact ND1-SG 3.42Å; L62-C106 HydrophobicContact CD1-CB 3.54Å; C106-C110 WeakPolarHBondContact SG-CB 3.32Å; C106-M114 HydrophobicContact CB-CE 4.25Å; C106-M114 WeakPolarHBondContact O-CE 3.27Å; C106-V142 WeakPolarHBondContact O-CB 3.5Å; C106-V142 WeakPolarHBondContact O-CG1 3.26Å |
| 107 | N | 97.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 43.1 Ų | 43.1 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | trans | -72.8 | 146.8 | 173.7 | -70.4 | -48.7 | 0 | 0 | 0 | 110.5 | S109 C110 M114 | N107-S109 PolarHBondContact O-N 3.13Å; N107-S109 VanDerWaalsContact O-N 3.1Å; N107-C110 WeakPolarHBondContact O-CB 3.32Å; N107-C110 PolarHBondContact O-N 3.34Å; N107-M114 VanDerWaalsContact C-CE 3.5Å; N107-M114 WeakPolarHBondContact O-CE 3.35Å | ||
| 108 | S | 97.7 | Very high | 96.8 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.8 | 174.8 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | N115 R116 V142 | S108-N115 PolarHBondContact O-N 3.41Å; S108-R116 VanDerWaalsContact O-CA 3.27Å; S108-R116 WeakPolarHBondContact O-CA 3.42Å; S108-R116 PolarHBondContact O-N 3.14Å; S108-V142 PolarHBondContact N-O 2.92Å; S108-V142 PolarHBondContact OG-N 2.66Å; S108-V142 PolarHBondContact OG-O 2.92Å |
| 109 | S | 97.4 | Very high | 97 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 50% | 0.503 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.4 | 177.9 | 58.1 | 0 | 0 | 0 | 0 | 115.4 | N107 M111 | N107-S109 PolarHBondContact O-N 3.13Å; N107-S109 VanDerWaalsContact O-N 3.1Å; S109-M111 PolarHBondContact O-N 3.11Å |
| 110 | C | 97.4 | Very high | 97.1 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 12% | 0.122 | 23% | 0.228 | C | C | . | . | trans | -63 | 124.2 | -174.4 | -77.4 | 0 | 0 | 0 | 0 | 112.1 | C44 H47 C106 N107 G113 N115 | C44-C110 HydrophobicContact CB-CB 3.94Å; H47-C110 PolarHBondContact CE1-SG 2.86Å; C106-C110 WeakPolarHBondContact SG-CB 3.32Å; N107-C110 WeakPolarHBondContact O-CB 3.32Å; N107-C110 PolarHBondContact O-N 3.34Å; C110-G113 PolarHBondContact O-N 3.48Å; C110-N115 WeakPolarHBondContact O-CA 3.05Å; C110-N115 PolarHBondContact O-N 3.15Å | ||
| 111 | M | 96.8 | Very high | 97.1 | Very high | 163 Ų | 163 | 42.2 Ų | 42.2 | 80% | 0.803 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 137.3 | 172.6 | -170.4 | -178.4 | -65.5 | 0 | 0 | 110.2 | C44 S109 G113 | C44-M111 WeakPolarHBondContact CB-O 3.5Å; S109-M111 PolarHBondContact O-N 3.11Å; M111-G113 PolarHBondContact O-N 3.3Å |
| 112 | G | 94.8 | Very high | 97.2 | Very high | 54 Ų | 54 | 39.5 Ų | 39.5 | 56% | 0.557 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 0.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P45 | P45-G112 WeakPolarHBondContact CD-O 3.4Š|
| 113 | G | 95.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -119.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y31 C110 M111 N115 R117 | Y31-G113 PolarHBondContact OH-O 3.5Å; C110-G113 PolarHBondContact O-N 3.48Å; M111-G113 PolarHBondContact O-N 3.3Å; G113-N115 VanDerWaalsContact C-N 3.29Å; G113-N115 PolarHBondContact O-N 2.92Å; G113-R117 PolarHBondContact O-NH2 2.81Å |
| 114 | M | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -31.2 | 176.1 | -73.6 | -176.1 | -85.4 | 0 | 0 | 113.6 | Y31 V41 L62 C106 N107 R116 R117 I119 V142 | Y31-M114 HydrophobicContact CE1-CB 4.34Å; Y31-M114 HydrophobicContact CE1-CG 4.14Å; V41-M114 HydrophobicContact CG1-CG 4.32Å; L62-M114 HydrophobicContact CD1-CE 3.94Å; L62-M114 HydrophobicContact CD2-CE 4.08Å; L62-M114 HydrophobicContact CD2-SD 4.11Å; C106-M114 HydrophobicContact CB-CE 4.25Å; C106-M114 WeakPolarHBondContact O-CE 3.27Å; N107-M114 VanDerWaalsContact C-CE 3.5Å; N107-M114 WeakPolarHBondContact O-CE 3.35Å; M114-R116 PolarHBondContact O-N 3.2Å; M114-R117 WeakPolarHBondContact O-CB 3.5Å; M114-R117 VanDerWaalsContact O-CG 3.27Å; M114-R117 WeakPolarHBondContact O-CG 3.2Å; M114-R117 PolarHBondContact O-N 2.95Å; M114-R117 PolarHBondContact O-NE 2.9Å; M114-I119 HydrophobicContact CG-CG2 4.09Å; M114-I119 HydrophobicContact SD-CB 4.49Å; M114-I119 HydrophobicContact SD-CD1 3.69Å; M114-I119 HydrophobicContact SD-CG1 3.98Å; M114-I119 HydrophobicContact SD-CG2 3.7Å; M114-V142 HydrophobicContact CE-CG2 4.37Å |
| 115 | N | 97.3 | Very high | 97.4 | Very high | 84 Ų | 84 | 41.5 Ų | 41.5 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 51.4 | 174.3 | -164.9 | 33.4 | 0 | 0 | 0 | 114.7 | S108 C110 G113 R117 | S108-N115 PolarHBondContact O-N 3.41Å; C110-N115 WeakPolarHBondContact O-CA 3.05Å; C110-N115 PolarHBondContact O-N 3.15Å; G113-N115 VanDerWaalsContact C-N 3.29Å; G113-N115 PolarHBondContact O-N 2.92Å; N115-R117 PolarHBondContact O-N 3.01Å |
| 116 | R | 96.5 | Very high | 97.4 | Very high | 209 Ų | 209 | 41.2 Ų | 41.2 | 79% | 0.789 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 13.7 | -178.4 | -52.3 | 179.2 | -179.7 | -171.8 | -0.6 | 115.1 | S108 M114 | S108-R116 VanDerWaalsContact O-CA 3.27Å; S108-R116 WeakPolarHBondContact O-CA 3.42Å; S108-R116 PolarHBondContact O-N 3.14Å; M114-R116 PolarHBondContact O-N 3.2Å |
| 117 | R | 97.3 | Very high | 97.4 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 13% | 0.125 | 23% | 0.231 | C | C | . | . | trans | -85.9 | 125.3 | 174.3 | -58.7 | 173.2 | -71.4 | 174.5 | -0.1 | 109.7 | Y31 H36 E39 G113 M114 N115 | Y31-R117 HydrophobicContact CD1-CB 3.67Å; Y31-R117 HydrophobicContact CE1-CB 3.76Å; Y31-R117 PolarHBondContact OH-NH2 2.88Å; H36-R117 WeakPolarHBondContact CD2-CD 3.43Å; H36-R117 PolarHBondContact ND1-NH1 2.8Å; H36-R117 WeakPolarHBondContact NE2-CD 3.39Å; E39-R117 IonicContact OE1-CZ 2.65Å; E39-R117 VanDerWaalsContact OE1-CZ 3.29Å; E39-R117 IonicContact OE1-NH1 3.74Å; E39-R117 PolarHBondContact OE1-NH1 3.49Å; E39-R117 IonicContact OE1-NH2 3.4Å; E39-R117 PolarHBondContact OE1-NH2 3Å; E39-R117 IonicContact OE2-CZ 3.54Å; E39-R117 IonicContact OE2-NH1 3.55Å; E39-R117 PolarHBondContact OE2-NH1 3.05Å; E39-R117 IonicContact OE2-NH2 3.94Å; G113-R117 PolarHBondContact O-NH2 2.81Å; M114-R117 WeakPolarHBondContact O-CB 3.5Å; M114-R117 VanDerWaalsContact O-CG 3.27Å; M114-R117 WeakPolarHBondContact O-CG 3.2Å; M114-R117 PolarHBondContact O-N 2.95Å; M114-R117 PolarHBondContact O-NE 2.9Å; N115-R117 PolarHBondContact O-N 3.01Å | ||
| 118 | P | 97.6 | Very high | 97.2 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 26% | 0.26 | 25% | 0.25 | S | C | . | . | trans | -66.1 | 147.1 | 179.5 | -19 | 30.8 | 0 | 0 | 0 | 112.3 | K32 E139 | K32-P118 HydrophobicContact CB-CB 4.15Å; K32-P118 HydrophobicContact CD-CB 4.34Å; K32-P118 PolarHBondContact N-O 3.07Å; P118-E139 WeakPolarHBondContact CB-OE1 3.18Å | ||
| 119 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 152.9 | 178.8 | 60.7 | 162.9 | 0 | 0 | 0 | 111.8 | A29 I30 Y31 V41 L62 M114 E139 V140 | A29-I119 HydrophobicContact CB-CD1 4.42Å; I30-I119 CarbonylContact O-C 3.54Å; I30-I119 WeakPolarHBondContact O-CA 3.49Å; I30-I119 WeakPolarHBondContact O-CB 3.47Å; Y31-I119 HydrophobicContact CD1-CG2 3.7Å; Y31-I119 HydrophobicContact CE1-CG2 3.89Å; V41-I119 HydrophobicContact CG1-CG2 4.25Å; V41-I119 HydrophobicContact CG2-CG2 4.17Å; L62-I119 HydrophobicContact CD2-CD1 3.62Å; M114-I119 HydrophobicContact CG-CG2 4.09Å; M114-I119 HydrophobicContact SD-CB 4.49Å; M114-I119 HydrophobicContact SD-CD1 3.69Å; M114-I119 HydrophobicContact SD-CG1 3.98Å; M114-I119 HydrophobicContact SD-CG2 3.7Å; I119-E139 WeakPolarHBondContact O-CA 3.46Å; I119-V140 HydrophobicContact CD1-CB 4.12Å; I119-V140 HydrophobicContact CG1-CB 4.15Å; I119-V140 VanDerWaalsContact CG1-O 3.27Å; I119-V140 WeakPolarHBondContact CG1-O 3.3Å; I119-V140 PolarHBondContact O-N 3.29Å; I119-V140 VanDerWaalsContact O-N 3.07Å |
| 120 | L | 98.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.8 | 165.2 | -65.6 | 171.8 | 0 | 0 | 0 | 108.4 | A29 I30 K32 E139 | A29-L120 WeakPolarHBondContact CA-O 3.27Å; I30-L120 HydrophobicContact CG1-CB 4.03Å; I30-L120 PolarHBondContact N-O 2.8Å; I30-L120 PolarHBondContact O-N 3.11Å; K32-L120 HydrophobicContact CB-CD1 4.43Å; K32-L120 HydrophobicContact CB-CG 4.06Å; K32-L120 HydrophobicContact CD-CD2 4.37Å; K32-L120 HydrophobicContact CG-CD1 4.26Å; K32-L120 HydrophobicContact CG-CD2 4.43Å; K32-L120 HydrophobicContact CG-CG 4.16Å; L120-E139 HydrophobicContact CD2-CB 3.97Å |
| 121 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121.8 | 161.1 | -63.5 | 0 | 0 | 0 | 0 | 107.7 | A27 M28 I63 Y104 I123 S137 F138 V140 | A27-T121 HydrophobicContact CB-CG2 4.49Å; M28-T121 CarbonylContact O-C 3.59Å; M28-T121 WeakPolarHBondContact O-CA 3.39Å; I63-T121 HydrophobicContact CD1-CG2 4Å; Y104-T121 WeakPolarHBondContact CE1-OG1 3.46Å; Y104-T121 PolarHBondContact OH-OG1 2.79Å; T121-I123 HydrophobicContact CG2-CG1 4.29Å; T121-S137 CarbonylContact O-C 3.57Å; T121-S137 WeakPolarHBondContact O-CA 3.45Å; T121-S137 WeakPolarHBondContact O-CB 3.17Å; T121-F138 HydrophobicContact CG2-CE1 4.34Å; T121-F138 HydrophobicContact CG2-CE2 4.41Å; T121-F138 HydrophobicContact CG2-CZ 3.93Å; T121-F138 PolarHBondContact N-O 2.93Å; T121-F138 PolarHBondContact O-N 2.8Å; T121-V140 VanDerWaalsContact OG1-CG2 3.3Å; T121-V140 WeakPolarHBondContact OG1-CG2 3.46Å |
| 122 | I | 98.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.108 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.3 | 173.3 | -59.7 | 173.5 | 0 | 0 | 0 | 107.1 | A27 M28 I30 T124 R135 | A27-I122 WeakPolarHBondContact CA-O 3.34Å; M28-I122 HydrophobicContact CG-CB 3.83Å; M28-I122 HydrophobicContact CG-CG2 4.48Å; M28-I122 PolarHBondContact N-O 3.27Å; M28-I122 PolarHBondContact O-N 2.97Å; I30-I122 HydrophobicContact CD1-CD1 3.58Å; I30-I122 HydrophobicContact CD1-CG1 4.48Å; I30-I122 HydrophobicContact CG1-CD1 3.89Å; I30-I122 HydrophobicContact CG1-CG1 4.41Å; I30-I122 HydrophobicContact CG2-CD1 4.36Å; I122-T124 HydrophobicContact CG2-CG2 4.06Å; I122-R135 HydrophobicContact CG2-CG 3.86Å |
| 123 | I | 98.4 | Very high | 96.7 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 9% | 0.087 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122 | 171.7 | -59.6 | -175 | 0 | 0 | 0 | 107.9 | V11 L13 V25 R26 A27 Y102 T121 R135 N136 F138 | V11-I123 HydrophobicContact CG1-CD1 3.85Å; L13-I123 HydrophobicContact CD2-CG2 4.35Å; V25-I123 HydrophobicContact CG1-CG2 3.6Å; R26-I123 CarbonylContact O-C 3.58Å; R26-I123 VanDerWaalsContact O-CA 3.29Å; R26-I123 WeakPolarHBondContact O-CA 3.45Å; A27-I123 HydrophobicContact CB-CG1 4.45Å; Y102-I123 HydrophobicContact CE2-CD1 4.07Å; T121-I123 HydrophobicContact CG2-CG1 4.29Å; I123-R135 WeakPolarHBondContact O-CA 3.46Å; I123-N136 PolarHBondContact N-O 2.7Å; I123-N136 PolarHBondContact O-N 2.61Å; I123-N136 VanDerWaalsContact O-O 3.14Å; I123-F138 HydrophobicContact CD1-CE1 3.72Å; I123-F138 HydrophobicContact CD1-CZ 4.35Å; I123-F138 HydrophobicContact CG1-CE1 4.23Å |
| 124 | T | 98.2 | Very high | 96.7 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.08 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.7 | 174.5 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | V25 R26 I122 E126 L132 G134 R135 | V25-T124 CarbonylContact C-O 3.51Å; V25-T124 WeakPolarHBondContact CA-O 3.38Å; R26-T124 WeakPolarHBondContact CB-OG1 3.19Å; R26-T124 PolarHBondContact N-O 3.39Å; R26-T124 PolarHBondContact O-N 2.9Å; I122-T124 HydrophobicContact CG2-CG2 4.06Å; T124-E126 PolarHBondContact OG1-OE1 2.9Å; T124-L132 HydrophobicContact CG2-CD1 3.47Å; T124-L132 VanDerWaalsContact CG2-CD1 3.47Å; T124-G134 CarbonylContact C-O 3.53Å; T124-G134 WeakPolarHBondContact CA-O 3.3Å; T124-R135 HydrophobicContact CG2-CB 4.2Å; T124-R135 HydrophobicContact CG2-CG 3.82Å |
| 125 | L | 97.9 | Very high | 96.8 | Very high | 32 Ų | 32 | 58.9 Ų | 58.9 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.8 | 165 | -169.3 | 72.3 | 0 | 0 | 0 | 106.9 | P19 T23 V25 Y88 L133 G134 | P19-L125 HydrophobicContact CB-CD2 4.29Å; P19-L125 HydrophobicContact CG-CD2 3.73Å; T23-L125 HydrophobicContact CG2-CD1 3.3Å; T23-L125 HydrophobicContact CG2-CD2 4.22Å; T23-L125 HydrophobicContact CG2-CG 3.58Å; V25-L125 HydrophobicContact CG2-CD1 3.88Å; Y88-L125 HydrophobicContact CD2-CD1 4.18Å; Y88-L125 HydrophobicContact CG-CD1 4.45Å; L125-L133 HydrophobicContact CB-CB 4.31Å; L125-L133 HydrophobicContact CD2-CB 4.07Å; L125-L133 HydrophobicContact CG-CB 4.15Å; L125-L133 HydrophobicContact CG-CD1 4.45Å; L125-L133 WeakPolarHBondContact O-CA 3.48Å; L125-L133 PolarHBondContact O-N 3.45Å; L125-G134 PolarHBondContact N-O 3.05Å; L125-G134 PolarHBondContact O-N 3.22Å |
| 126 | E | 98 | Very high | 96.8 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.4 | -174.3 | -68.9 | 167.4 | -151.5 | 0 | 0 | 110.5 | T23 R24 R26 T124 N131 | T23-E126 CarbonylContact C-O 3.59Å; T23-E126 VanDerWaalsContact CA-O 3.28Å; T23-E126 WeakPolarHBondContact CA-O 3.38Å; T23-E126 WeakPolarHBondContact CG2-O 3.46Å; R24-E126 HydrophobicContact CG-CB 3.76Å; R24-E126 IonicContact CZ-OE2 3.73Å; R24-E126 PolarHBondContact N-O 2.94Å; R24-E126 IonicContact NE-OE2 3.05Å; R24-E126 PolarHBondContact NE-OE2 2.96Å; R24-E126 IonicContact NH2-OE2 2.61Å; R24-E126 PolarHBondContact NH2-OE2 2.94Å; R24-E126 PolarHBondContact O-N 2.97Å; R26-E126 WeakPolarHBondContact CB-OE1 3.48Å; R26-E126 VanDerWaalsContact CD-OE1 3.3Å; R26-E126 WeakPolarHBondContact CD-OE1 3.38Å; R26-E126 IonicContact CZ-OE1 3.55Å; R26-E126 IonicContact CZ-OE2 2.97Å; R26-E126 IonicContact NE-OE1 3.76Å; R26-E126 PolarHBondContact NE-OE1 2.9Å; R26-E126 IonicContact NE-OE2 3.66Å; R26-E126 PolarHBondContact NE-OE2 3.3Å; R26-E126 IonicContact NH2-OE1 3.84Å; R26-E126 IonicContact NH2-OE2 2.89Å; R26-E126 PolarHBondContact NH2-OE2 3.4Å; T124-E126 PolarHBondContact OG1-OE1 2.9Å; E126-N131 CarbonylContact C-O 3.54Å; E126-N131 WeakPolarHBondContact CA-O 3.33Å |
| 127 | D | 96.1 | Very high | 96.8 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 18% | 0.176 | 30% | 0.301 | C | S | . | . | trans | -73.3 | 179.7 | 169 | 73.3 | 11 | 0 | 0 | 0 | 111.7 | S129 G130 N131 L133 | D127-S129 PolarHBondContact O-N 2.84Å; D127-S129 VanDerWaalsContact OD1-CA 3.31Å; D127-S129 WeakPolarHBondContact OD1-CA 3.32Å; D127-S129 WeakPolarHBondContact OD1-CB 3.18Å; D127-S129 PolarHBondContact OD1-N 3.28Å; D127-G130 PolarHBondContact O-N 3.05Å; D127-G130 PolarHBondContact OD1-N 2.93Å; D127-N131 PolarHBondContact N-O 3.34Å; D127-N131 PolarHBondContact OD1-N 2.67Å; D127-N131 PolarHBondContact OD1-ND2 3.35Å; D127-N131 WeakPolarHBondContact OD2-CB 3.45Å; D127-N131 PolarHBondContact OD2-ND2 3.2Å; D127-L133 HydrophobicContact CB-CD1 4.13Å; D127-L133 HydrophobicContact CB-CD2 4.44Å; D127-L133 HydrophobicContact CB-CG 4.33Å | ||
| 128 | S | 94.2 | Very high | 96.8 | Very high | 85 Ų | 85 | 54.2 Ų | 54.2 | 59% | 0.594 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.2 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 129 | S | 93.7 | Very high | 96.8 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 68% | 0.678 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -9.1 | 175.8 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | D127 | D127-S129 PolarHBondContact O-N 2.84Å; D127-S129 VanDerWaalsContact OD1-CA 3.31Å; D127-S129 WeakPolarHBondContact OD1-CA 3.32Å; D127-S129 WeakPolarHBondContact OD1-CB 3.18Å; D127-S129 PolarHBondContact OD1-N 3.28Å |
| 130 | G | 90.4 | Very high | 96.8 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | trans | 86.4 | 13.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D127 | D127-G130 PolarHBondContact O-N 3.05Å; D127-G130 PolarHBondContact OD1-N 2.93Å | ||
| 131 | N | 95.3 | Very high | 96.8 | Very high | 96 Ų | 96 | 58.2 Ų | 58.2 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | trans | -73.4 | 143.2 | 172.6 | -54.7 | -59.4 | 0 | 0 | 0 | 110.3 | E126 D127 L133 | E126-N131 CarbonylContact C-O 3.54Å; E126-N131 WeakPolarHBondContact CA-O 3.33Å; D127-N131 PolarHBondContact N-O 3.34Å; D127-N131 PolarHBondContact OD1-N 2.67Å; D127-N131 PolarHBondContact OD1-ND2 3.35Å; D127-N131 WeakPolarHBondContact OD2-CB 3.45Å; D127-N131 PolarHBondContact OD2-ND2 3.2Å; N131-L133 PolarHBondContact O-N 3.39Å | ||
| 132 | L | 97 | Very high | 96.8 | Very high | 105 Ų | 105 | 58.2 Ų | 58.2 | 55% | 0.55 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 120.5 | -177.7 | -172.6 | 69.6 | 0 | 0 | 0 | 111.5 | T124 G134 R135 | T124-L132 HydrophobicContact CG2-CD1 3.47Å; T124-L132 VanDerWaalsContact CG2-CD1 3.47Å; L132-G134 VanDerWaalsContact CD1-O 3.25Å; L132-G134 WeakPolarHBondContact CD1-O 3.49Å; L132-R135 HydrophobicContact CD1-CB 4.33Å; L132-R135 HydrophobicContact CD2-CB 4.4Å |
| 133 | L | 96.6 | Very high | 96.8 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 42% | 0.424 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -30 | 172.5 | -60.2 | 178.7 | 0 | 0 | 0 | 112.3 | T23 L125 D127 N131 | T23-L133 HydrophobicContact CG2-CD1 4.02Å; L125-L133 HydrophobicContact CB-CB 4.31Å; L125-L133 HydrophobicContact CD2-CB 4.07Å; L125-L133 HydrophobicContact CG-CB 4.15Å; L125-L133 HydrophobicContact CG-CD1 4.45Å; L125-L133 WeakPolarHBondContact O-CA 3.48Å; L125-L133 PolarHBondContact O-N 3.45Å; D127-L133 HydrophobicContact CB-CD1 4.13Å; D127-L133 HydrophobicContact CB-CD2 4.44Å; D127-L133 HydrophobicContact CB-CG 4.33Å; N131-L133 PolarHBondContact O-N 3.39Å |
| 134 | G | 96.5 | Very high | 96.7 | Very high | 28 Ų | 28 | 60.4 Ų | 60.4 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 155 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T124 L125 L132 | T124-G134 CarbonylContact C-O 3.53Å; T124-G134 WeakPolarHBondContact CA-O 3.3Å; L125-G134 PolarHBondContact N-O 3.05Å; L125-G134 PolarHBondContact O-N 3.22Å; L132-G134 VanDerWaalsContact CD1-O 3.25Å; L132-G134 WeakPolarHBondContact CD1-O 3.49Å |
| 135 | R | 97.6 | Very high | 96.7 | Very high | 180 Ų | 180 | 62.5 Ų | 62.5 | 68% | 0.679 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145 | 133.2 | 178.8 | -172.7 | 175.4 | 82.1 | 166 | 4.7 | 111.2 | I122 I123 T124 L132 | I122-R135 HydrophobicContact CG2-CG 3.86Å; I123-R135 WeakPolarHBondContact O-CA 3.46Å; T124-R135 HydrophobicContact CG2-CB 4.2Å; T124-R135 HydrophobicContact CG2-CG 3.82Å; L132-R135 HydrophobicContact CD1-CB 4.33Å; L132-R135 HydrophobicContact CD2-CB 4.4Å |
| 136 | N | 97.4 | Very high | 96.7 | Very high | 119 Ų | 119 | 62.3 Ų | 62.3 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 166.4 | 166.3 | -155.1 | -14 | 0 | 0 | 0 | 110.1 | I123 | I123-N136 PolarHBondContact N-O 2.7Å; I123-N136 PolarHBondContact O-N 2.61Å; I123-N136 VanDerWaalsContact O-O 3.14Å |
| 137 | S | 97.4 | Very high | 96.6 | Very high | 57 Ų | 57 | 63.2 Ų | 63.2 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 149.2 | 177.3 | 64 | 0 | 0 | 0 | 0 | 111.8 | T121 | T121-S137 CarbonylContact O-C 3.57Å; T121-S137 WeakPolarHBondContact O-CA 3.45Å; T121-S137 WeakPolarHBondContact O-CB 3.17Å |
| 138 | F | 97.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 68.7 Ų | 68.7 | 23% | 0.232 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 150.8 | 173.2 | 54.8 | -90.2 | 0 | 0 | 0 | 110.7 | M1 V11 T121 I123 V140 | M1-F138 HydrophobicContact CB-CD2 3.95Å; M1-F138 HydrophobicContact CB-CE2 4.19Å; M1-F138 HydrophobicContact CE-CE2 3.67Å; M1-F138 HydrophobicContact CE-CZ 4.45Å; M1-F138 HydrophobicContact SD-CE2 3.92Å; V11-F138 HydrophobicContact CG2-CZ 4.17Å; T121-F138 HydrophobicContact CG2-CE1 4.34Å; T121-F138 HydrophobicContact CG2-CE2 4.41Å; T121-F138 HydrophobicContact CG2-CZ 3.93Å; T121-F138 PolarHBondContact N-O 2.93Å; T121-F138 PolarHBondContact O-N 2.8Å; I123-F138 HydrophobicContact CD1-CE1 3.72Å; I123-F138 HydrophobicContact CD1-CZ 4.35Å; I123-F138 HydrophobicContact CG1-CE1 4.23Å; F138-V140 HydrophobicContact CD2-CG2 3.55Å; F138-V140 HydrophobicContact CE2-CG2 3.39Å |
| 139 | E | 97.7 | Very high | 96.8 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 138.8 | 175.5 | -177.5 | 163.6 | -155.2 | 0 | 0 | 110.9 | M1 K32 P118 I119 L120 | M1-E139 PolarHBondContact N-O 2.9Å; K32-E139 HydrophobicContact CD-CG 4.47Å; K32-E139 VanDerWaalsContact CD-OE1 3.26Å; K32-E139 WeakPolarHBondContact CD-OE1 3.36Å; K32-E139 IonicContact NZ-OE1 3.46Å; K32-E139 PolarHBondContact NZ-OE1 3.47Å; K32-E139 IonicContact NZ-OE2 2.64Å; K32-E139 PolarHBondContact NZ-OE2 2.89Å; P118-E139 WeakPolarHBondContact CB-OE1 3.18Å; I119-E139 WeakPolarHBondContact O-CA 3.46Å; L120-E139 HydrophobicContact CD2-CB 3.97Å |
| 140 | V | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.3 | 179 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | M1 Y104 I119 T121 F138 V142 | M1-V140 HydrophobicContact CB-CG2 4.43Å; M1-V140 HydrophobicContact CE-CB 4.49Å; M1-V140 HydrophobicContact CE-CG1 3.84Å; M1-V140 HydrophobicContact CE-CG2 3.83Å; M1-V140 WeakPolarHBondContact O-CA 3.45Å; Y104-V140 HydrophobicContact CD1-CG1 4.01Å; Y104-V140 HydrophobicContact CD2-CG1 4.38Å; Y104-V140 HydrophobicContact CE1-CB 4.21Å; Y104-V140 HydrophobicContact CE1-CG1 3.78Å; Y104-V140 HydrophobicContact CE1-CG2 4.13Å; Y104-V140 HydrophobicContact CE2-CG1 4.21Å; Y104-V140 HydrophobicContact CG-CG1 4.31Å; I119-V140 HydrophobicContact CD1-CB 4.12Å; I119-V140 HydrophobicContact CG1-CB 4.15Å; I119-V140 VanDerWaalsContact CG1-O 3.27Å; I119-V140 WeakPolarHBondContact CG1-O 3.3Å; I119-V140 PolarHBondContact O-N 3.29Å; I119-V140 VanDerWaalsContact O-N 3.07Å; T121-V140 VanDerWaalsContact OG1-CG2 3.3Å; T121-V140 WeakPolarHBondContact OG1-CG2 3.46Å; F138-V140 HydrophobicContact CD2-CG2 3.55Å; F138-V140 HydrophobicContact CE2-CG2 3.39Å; V140-V142 HydrophobicContact CG1-CG2 4.08Å |
| 141 | R | 98.1 | Very high | 97.1 | Very high | 100 Ų | 100 | 72.4 Ų | 72.4 | 38% | 0.377 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 107.9 | 171.4 | -178.2 | 164.5 | 165.2 | 155.9 | 0.7 | 110.1 | M1 F2 C3 C143 D149 E153 | M1-R141 PolarHBondContact O-N 3.45Å; F2-R141 WeakPolarHBondContact CA-O 3.19Å; F2-R141 HydrophobicContact CD1-CB 3.93Å; F2-R141 HydrophobicContact CD1-CG 4.14Å; F2-R141 HydrophobicContact CE1-CB 4.14Å; F2-R141 HydrophobicContact CE1-CG 4.29Å; C3-R141 PolarHBondContact N-O 3.46Å; C3-R141 VanDerWaalsContact N-O 3.1Å; R141-C143 HydrophobicContact CG-CB 4.41Å; R141-D149 IonicContact CZ-OD2 3.73Å; R141-D149 IonicContact NE-OD2 3.92Å; R141-D149 PolarHBondContact NE-OD2 2.93Å; R141-D149 IonicContact NH2-OD2 2.67Å; R141-D149 PolarHBondContact NH2-OD2 3.46Å; R141-E153 WeakPolarHBondContact CD-OE1 3.43Å; R141-E153 IonicContact CZ-OE1 3.49Å; R141-E153 IonicContact NE-OE1 3.34Å; R141-E153 IonicContact NH1-OE1 2.88Å; R141-E153 PolarHBondContact NH1-OE1 3.32Å |
| 142 | V | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.5 | 177.4 | -168.1 | 0 | 0 | 0 | 0 | 108.2 | C3 L5 Y104 C106 S108 M114 V140 | C3-V142 CarbonylContact O-C 3.54Å; C3-V142 WeakPolarHBondContact O-CA 3.46Å; L5-V142 HydrophobicContact CB-CG1 4.4Å; Y104-V142 HydrophobicContact CD1-CG2 4.17Å; Y104-V142 HydrophobicContact CG-CG2 3.94Å; C106-V142 WeakPolarHBondContact O-CB 3.5Å; C106-V142 WeakPolarHBondContact O-CG1 3.26Å; S108-V142 PolarHBondContact N-O 2.92Å; S108-V142 PolarHBondContact OG-N 2.66Å; S108-V142 PolarHBondContact OG-O 2.92Å; M114-V142 HydrophobicContact CE-CG2 4.37Å; V140-V142 HydrophobicContact CG1-CG2 4.08Å |
| 143 | C | 97.7 | Very high | 96.9 | Very high | 10 Ų | 10 | 68.6 Ų | 68.6 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | trans | -145.6 | 161.8 | -171 | 62 | 0 | 0 | 0 | 0 | 112 | C3 Q4 R141 C145 | C3-C143 PolarHBondContact O-N 3.29Å; Q4-C143 WeakPolarHBondContact CA-O 3.34Å; R141-C143 HydrophobicContact CG-CB 4.41Å; C143-C145 VanDerWaalsContact C-N 3.35Å; C143-C145 PolarHBondContact O-N 2.81Å | ||
| 144 | A | 97.2 | Very high | 96.8 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 61% | 0.612 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -69.5 | -31.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q4 | Q4-A144 PolarHBondContact NE2-O 3.1Š|
| 145 | C | 97.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 70.1 Ų | 70.1 | 38% | 0.378 | 34% | 0.343 | S | S | . | . | trans | -129.3 | 71.4 | -173.8 | -55.8 | 0 | 0 | 0 | 0 | 112.4 | C143 G147 R148 D149 | C143-C145 VanDerWaalsContact C-N 3.35Å; C143-C145 PolarHBondContact O-N 2.81Å; C145-G147 VanDerWaalsContact C-N 3.34Å; C145-G147 PolarHBondContact O-N 2.87Å; C145-R148 HydrophobicContact CB-CB 4.09Å; C145-R148 PolarHBondContact O-N 2.98Å; C145-R148 VanDerWaalsContact O-N 3.09Å; C145-D149 PolarHBondContact O-N 3.45Å | ||
| 146 | P | 97.1 | Very high | 96.4 | Very high | 29 Ų | 29 | 65.2 Ų | 65.2 | 19% | 0.188 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -52 | -45 | -175.2 | -30.7 | 37.3 | 0 | 0 | 0 | 114.8 | F2 Q4 R148 D149 R150 | F2-P146 HydrophobicContact CB-CB 3.75Å; Q4-P146 HydrophobicContact CG-CG 3.7Å; P146-R148 VanDerWaalsContact C-N 3.32Å; P146-R148 PolarHBondContact O-N 2.77Å; P146-D149 PolarHBondContact O-N 3.18Å; P146-R150 WeakPolarHBondContact O-CB 3.31Å; P146-R150 PolarHBondContact O-N 3.25Å |
| 147 | G | 96.2 | Very high | 96 | Very high | 32 Ų | 32 | 65.2 Ų | 65.2 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.2 | -25.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C145 R151 | C145-G147 VanDerWaalsContact C-N 3.34Å; C145-G147 PolarHBondContact O-N 2.87Å; G147-R151 WeakPolarHBondContact O-CG 3.3Å; G147-R151 PolarHBondContact O-NE 2.82Å |
| 148 | R | 97.4 | Very high | 95.4 | Very high | 147 Ų | 147 | 68.2 Ų | 68.2 | 56% | 0.555 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -78.1 | -52.7 | 172.9 | -176.8 | -170 | 65.6 | -173.8 | -2.8 | 109.7 | C145 P146 R150 R151 T152 | C145-R148 HydrophobicContact CB-CB 4.09Å; C145-R148 PolarHBondContact O-N 2.98Å; C145-R148 VanDerWaalsContact O-N 3.09Å; P146-R148 VanDerWaalsContact C-N 3.32Å; P146-R148 PolarHBondContact O-N 2.77Å; R148-R150 VanDerWaalsContact C-N 3.31Å; R148-R150 PolarHBondContact O-N 2.81Å; R148-R151 PolarHBondContact O-N 2.91Å; R148-R151 VanDerWaalsContact O-N 3.17Å; R148-T152 PolarHBondContact O-N 3.32Å; R148-T152 PolarHBondContact O-OG1 3Å |
| 149 | D | 97 | Very high | 95 | Very high | 18 Ų | 18 | 71.3 Ų | 71.3 | 10% | 0.096 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | -176.6 | -76.7 | 28.6 | 0 | 0 | 0 | 111.3 | F2 R141 C145 P146 T152 E153 | F2-D149 HydrophobicContact CD1-CB 4.01Å; F2-D149 HydrophobicContact CE1-CB 4.09Å; R141-D149 IonicContact CZ-OD2 3.73Å; R141-D149 IonicContact NE-OD2 3.92Å; R141-D149 PolarHBondContact NE-OD2 2.93Å; R141-D149 IonicContact NH2-OD2 2.67Å; R141-D149 PolarHBondContact NH2-OD2 3.46Å; C145-D149 PolarHBondContact O-N 3.45Å; P146-D149 PolarHBondContact O-N 3.18Å; D149-T152 PolarHBondContact O-N 2.81Å; D149-E153 PolarHBondContact O-N 2.98Å |
| 150 | R | 96.2 | Very high | 94.1 | Very high | 114 Ų | 114 | 76.6 Ų | 76.6 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.5 | -52.7 | 172.2 | -177.9 | -178.4 | 71.3 | -178.9 | -0.5 | 112 | F2 P146 R148 T152 E153 E154 | F2-R150 HydrophobicContact CD1-CB 4.35Å; F2-R150 HydrophobicContact CD2-CB 3.65Å; F2-R150 HydrophobicContact CD2-CG 3.87Å; F2-R150 HydrophobicContact CE1-CB 4.46Å; F2-R150 HydrophobicContact CE2-CB 3.83Å; F2-R150 HydrophobicContact CE2-CG 3.86Å; F2-R150 HydrophobicContact CG-CB 3.96Å; F2-R150 HydrophobicContact CZ-CB 4.24Å; P146-R150 WeakPolarHBondContact O-CB 3.31Å; P146-R150 PolarHBondContact O-N 3.25Å; R148-R150 VanDerWaalsContact C-N 3.31Å; R148-R150 PolarHBondContact O-N 2.81Å; R150-T152 VanDerWaalsContact C-N 3.31Å; R150-T152 PolarHBondContact O-N 2.79Å; R150-E153 PolarHBondContact O-N 2.88Å; R150-E154 VanDerWaalsContact CD-OE1 3.25Å; R150-E154 WeakPolarHBondContact CD-OE1 3.11Å; R150-E154 HydrophobicContact CG-CG 4.31Å; R150-E154 WeakPolarHBondContact CG-OE1 3.43Å; R150-E154 IonicContact NE-OE1 3.7Å; R150-E154 WeakPolarHBondContact O-CB 3.37Å; R150-E154 WeakPolarHBondContact O-CG 3.29Å; R150-E154 PolarHBondContact O-N 3.06Å |
| 151 | R | 95 | Very high | 92.3 | Very high | 155 Ų | 155 | 79 Ų | 79 | 59% | 0.585 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.8 | -43 | 179.5 | -79.4 | -176.7 | -76.3 | -169.1 | -1 | 111.7 | G147 R148 E155 | G147-R151 WeakPolarHBondContact O-CG 3.3Å; G147-R151 PolarHBondContact O-NE 2.82Å; R148-R151 PolarHBondContact O-N 2.91Å; R148-R151 VanDerWaalsContact O-N 3.17Å; R151-E155 VanDerWaalsContact O-CB 3.25Å; R151-E155 WeakPolarHBondContact O-CB 3.39Å; R151-E155 PolarHBondContact O-N 3.04Å |
| 152 | T | 96 | Very high | 90 | Very high | 65 Ų | 65 | 80.8 Ų | 80.8 | 40% | 0.399 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 177.3 | -59.3 | 0 | 0 | 0 | 0 | 112 | R148 D149 R150 N156 | R148-T152 PolarHBondContact O-N 3.32Å; R148-T152 PolarHBondContact O-OG1 3Å; D149-T152 PolarHBondContact O-N 2.81Å; R150-T152 VanDerWaalsContact C-N 3.31Å; R150-T152 PolarHBondContact O-N 2.79Å; T152-N156 WeakPolarHBondContact O-CB 3.35Å; T152-N156 PolarHBondContact O-N 2.93Å; T152-N156 PolarHBondContact O-ND2 3.33Å |
| 153 | E | 93.1 | Very high | 87.4 | Confident | 56 Ų | 56 | 85.5 Ų | 85.5 | 26% | 0.262 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.2 | -44.6 | 177.1 | -74.7 | -168.8 | -154.9 | 0 | 0 | 112.6 | F2 R141 D149 R150 E155 N156 L157 | F2-E153 HydrophobicContact CE1-CG 4.27Å; F2-E153 WeakPolarHBondContact CE1-OE1 3.39Å; F2-E153 HydrophobicContact CZ-CB 3.99Å; F2-E153 VanDerWaalsContact CZ-CD 3.44Å; F2-E153 HydrophobicContact CZ-CG 4.07Å; F2-E153 WeakPolarHBondContact CZ-OE2 3.36Å; R141-E153 WeakPolarHBondContact CD-OE1 3.43Å; R141-E153 IonicContact CZ-OE1 3.49Å; R141-E153 IonicContact NE-OE1 3.34Å; R141-E153 IonicContact NH1-OE1 2.88Å; R141-E153 PolarHBondContact NH1-OE1 3.32Å; D149-E153 PolarHBondContact O-N 2.98Å; R150-E153 PolarHBondContact O-N 2.88Å; E153-E155 PolarHBondContact O-N 2.9Å; E153-N156 PolarHBondContact O-N 2.85Å; E153-L157 VanDerWaalsContact O-CG 3.32Å; E153-L157 WeakPolarHBondContact O-CG 3.33Å; E153-L157 PolarHBondContact O-N 3.3Å |
| 154 | E | 92.6 | Very high | 84.7 | Confident | 46 Ų | 46 | 93.1 Ų | 93.1 | 22% | 0.215 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 175.1 | -73.2 | 170.5 | -171.4 | 0 | 0 | 111.6 | R150 N156 L157 R158 R210 | R150-E154 VanDerWaalsContact CD-OE1 3.25Å; R150-E154 WeakPolarHBondContact CD-OE1 3.11Å; R150-E154 HydrophobicContact CG-CG 4.31Å; R150-E154 WeakPolarHBondContact CG-OE1 3.43Å; R150-E154 IonicContact NE-OE1 3.7Å; R150-E154 WeakPolarHBondContact O-CB 3.37Å; R150-E154 WeakPolarHBondContact O-CG 3.29Å; R150-E154 PolarHBondContact O-N 3.06Å; E154-N156 PolarHBondContact O-N 3.38Å; E154-L157 PolarHBondContact O-N 2.88Å; E154-R158 WeakPolarHBondContact O-CG 3.42Å; E154-R158 PolarHBondContact O-N 3.48Å; E154-R210 IonicContact OE2-NH1 2.74Å |
| 155 | E | 93.5 | Very high | 82.1 | Confident | 96 Ų | 96 | 97.9 Ų | 97.9 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 176.4 | -173.4 | -175 | 166.7 | 0 | 0 | 111.7 | R151 E153 L157 R158 K159 | R151-E155 VanDerWaalsContact O-CB 3.25Å; R151-E155 WeakPolarHBondContact O-CB 3.39Å; R151-E155 PolarHBondContact O-N 3.04Å; E153-E155 PolarHBondContact O-N 2.9Å; E155-L157 VanDerWaalsContact C-N 3.32Å; E155-L157 PolarHBondContact O-N 3.13Å; E155-R158 PolarHBondContact O-N 3.33Å; E155-K159 HydrophobicContact CG-CD 4.37Å; E155-K159 WeakPolarHBondContact O-CB 3.25Å; E155-K159 WeakPolarHBondContact O-CG 3.32Å; E155-K159 PolarHBondContact O-N 3.07Å; E155-K159 WeakPolarHBondContact OE1-CE 3.47Å; E155-K159 IonicContact OE1-NZ 3.33Å; E155-K159 PolarHBondContact OE1-NZ 2.96Å |
| 156 | N | 93.4 | Very high | 79.1 | Confident | 76 Ų | 76 | 102 Ų | 102 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 176.4 | -73.9 | -28.9 | 0 | 0 | 0 | 112.8 | T152 E153 E154 K160 | T152-N156 WeakPolarHBondContact O-CB 3.35Å; T152-N156 PolarHBondContact O-N 2.93Å; T152-N156 PolarHBondContact O-ND2 3.33Å; E153-N156 PolarHBondContact O-N 2.85Å; E154-N156 PolarHBondContact O-N 3.38Å; N156-K160 VanDerWaalsContact O-CG 3.3Å; N156-K160 WeakPolarHBondContact O-CG 3.35Å; N156-K160 PolarHBondContact O-N 2.94Å |
| 157 | L | 88.6 | Confident | 76.2 | Confident | 119 Ų | 119 | 108 Ų | 108 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.3 | -44.9 | 174.1 | -71.1 | 170.4 | 0 | 0 | 0 | 110.9 | E153 E154 E155 K160 G161 | E153-L157 VanDerWaalsContact O-CG 3.32Å; E153-L157 WeakPolarHBondContact O-CG 3.33Å; E153-L157 PolarHBondContact O-N 3.3Å; E154-L157 PolarHBondContact O-N 2.88Å; E155-L157 VanDerWaalsContact C-N 3.32Å; E155-L157 PolarHBondContact O-N 3.13Å; L157-K160 WeakPolarHBondContact O-CB 3.46Å; L157-K160 PolarHBondContact O-N 2.99Å; L157-K160 VanDerWaalsContact O-N 3.15Å; L157-G161 PolarHBondContact O-N 3.37Å |
| 158 | R | 85.5 | Confident | 73.2 | Confident | 121 Ų | 121 | 111.7 Ų | 111.7 | 46% | 0.457 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 176.2 | -70.5 | 173.4 | 176.7 | -144.3 | -2.4 | 112.1 | E154 E155 K160 G161 E162 E214 | E154-R158 WeakPolarHBondContact O-CG 3.42Å; E154-R158 PolarHBondContact O-N 3.48Å; E155-R158 PolarHBondContact O-N 3.33Å; R158-K160 PolarHBondContact O-N 2.79Å; R158-G161 PolarHBondContact O-N 2.73Å; R158-E162 PolarHBondContact O-N 2.89Å; R158-E214 IonicContact CZ-OE1 3.55Å; R158-E214 IonicContact NH2-OE1 3.32Å; R158-E214 PolarHBondContact NH2-OE1 3.31Å |
| 159 | K | 88 | Confident | 70.3 | Confident | 117 Ų | 117 | 108.6 Ų | 108.6 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.8 | -23.6 | 175.9 | -74.2 | 177.4 | -176.9 | 170.4 | 0 | 114.3 | E155 | E155-K159 HydrophobicContact CG-CD 4.37Å; E155-K159 WeakPolarHBondContact O-CB 3.25Å; E155-K159 WeakPolarHBondContact O-CG 3.32Å; E155-K159 PolarHBondContact O-N 3.07Å; E155-K159 WeakPolarHBondContact OE1-CE 3.47Å; E155-K159 IonicContact OE1-NZ 3.33Å; E155-K159 PolarHBondContact OE1-NZ 2.96Å |
| 160 | K | 79.7 | Confident | 67.3 | Low | 175 Ų | 175 | 110.7 Ų | 110.7 | 76% | 0.761 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -82.1 | -24.8 | 174.1 | -73.4 | 173 | -177.7 | -178.4 | 0 | 112.5 | N156 L157 R158 | N156-K160 VanDerWaalsContact O-CG 3.3Å; N156-K160 WeakPolarHBondContact O-CG 3.35Å; N156-K160 PolarHBondContact O-N 2.94Å; L157-K160 WeakPolarHBondContact O-CB 3.46Å; L157-K160 PolarHBondContact O-N 2.99Å; L157-K160 VanDerWaalsContact O-N 3.15Å; R158-K160 PolarHBondContact O-N 2.79Å |
| 161 | G | 61.1 | Low | 64.6 | Low | 53 Ų | 53 | 111.1 Ų | 111.1 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -87.7 | -30.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L157 R158 | L157-G161 PolarHBondContact O-N 3.37Å; R158-G161 PolarHBondContact O-N 2.73Å |
| 162 | E | 50.2 | Low | 61.8 | Low | 137 Ų | 137 | 109.6 Ų | 109.6 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -72.3 | 131 | 174.4 | -74 | -172.8 | 145.1 | 0 | 0 | 110.7 | R158 H164 | R158-E162 PolarHBondContact O-N 2.89Å; E162-H164 PolarHBondContact O-N 3.3Å |
| 163 | P | 43.2 | Very low | 59.3 | Low | 100 Ų | 100 | 116.6 Ų | 116.6 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | trans | -57.8 | 125.3 | 158.1 | -4.8 | 18.8 | 0 | 0 | 0 | 106.1 | H165 | P163-H165 VanDerWaalsContact C-N 3.32Å; P163-H165 PolarHBondContact O-N 2.74Å | ||
| 164 | H | 41.6 | Very low | 56.9 | Low | 169 Ų | 169 | 124.3 Ų | 124.3 | 78% | 0.782 | 65% | 0.646 | S | S | * | * | trans | -45.8 | 99.1 | 168.9 | -124.6 | -89.2 | 0 | 0 | 0 | 108.4 | E162 E166 | E162-H164 PolarHBondContact O-N 3.3Å; H164-E166 PolarHBondContact O-N 2.77Å | ||
| 165 | H | 41.5 | Very low | 54.6 | Low | 174 Ų | 174 | 126.9 Ų | 126.9 | 81% | 0.806 | 68% | 0.675 | S | S | * | * | trans | -69.9 | 87 | 153.9 | -85.1 | -81.5 | 0 | 0 | 0 | 103.7 | P163 L167 | P163-H165 VanDerWaalsContact C-N 3.32Å; P163-H165 PolarHBondContact O-N 2.74Å; H165-L167 PolarHBondContact O-N 2.88Å | ||
| 166 | E | 34.1 | Very low | 52.4 | Low | 143 Ų | 143 | 129.8 Ų | 129.8 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | trans | -50.6 | 100.1 | 155.8 | -73.1 | -172.3 | 162.3 | 0 | 0 | 105.8 | H164 | H164-E166 PolarHBondContact O-N 2.77Š| ||
| 167 | L | 35.7 | Very low | 50.2 | Low | 156 Ų | 156 | 131.3 Ų | 131.3 | 82% | 0.817 | 71% | 0.707 | S | S | * | * | trans | -43.5 | 125.1 | 148.6 | -80.6 | 154.1 | 0 | 0 | 0 | 105.2 | H165 | H165-L167 PolarHBondContact O-N 2.88Š| ||
| 168 | P | 34.3 | Very low | 48.2 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | trans | -53.9 | 125.1 | -169.1 | 21.2 | -30.7 | 0 | 0 | 0 | 107.1 | G170 | P168-G170 PolarHBondContact O-N 3.4Š| ||
| 169 | P | 36.3 | Very low | 46.5 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 53% | 0.532 | 73% | 0.729 | S | S | . | * | trans | -56.6 | 121.2 | 174.5 | 24.9 | -30.5 | 0 | 0 | 0 | 104.6 | S171 | P169-S171 PolarHBondContact O-N 2.83Š| ||
| 170 | G | 34.4 | Very low | 44.8 | Very low | 61 Ų | 61 | 135.6 Ų | 135.6 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | trans | -42.5 | 116.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P168 T172 | P168-G170 PolarHBondContact O-N 3.4Å; G170-T172 PolarHBondContact O-N 2.91Å; G170-T172 PolarHBondContact O-OG1 2.85Å; G170-T172 VanDerWaalsContact O-OG1 3.06Å | ||
| 171 | S | 39 | Very low | 43.1 | Very low | 123 Ų | 123 | 132 Ų | 132 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 25.5 | 74.5 | 147.2 | -176.5 | 0 | 0 | 0 | 0 | 114.4 | P169 | P169-S171 PolarHBondContact O-N 2.83Š|
| 172 | T | 36.9 | Very low | 42.1 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -141.2 | 89.1 | 163.9 | 26.1 | 0 | 0 | 0 | 0 | 109.5 | G170 | G170-T172 PolarHBondContact O-N 2.91Å; G170-T172 PolarHBondContact O-OG1 2.85Å; G170-T172 VanDerWaalsContact O-OG1 3.06Å | ||
| 173 | K | 42.3 | Very low | 41.7 | Very low | 213 Ų | 213 | 133.5 Ų | 133.5 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | trans | 49 | 83.1 | 150.1 | -119.6 | -179.8 | -179.4 | -179.7 | 0 | 116.2 | ||||
| 174 | R | 43 | Very low | 41.9 | Very low | 217 Ų | 217 | 134.3 Ų | 134.3 | 82% | 0.819 | 77% | 0.77 | S | S | * | * | trans | -127.9 | 128.8 | 155.5 | -82.4 | -170.2 | -83.2 | -169.8 | -3.4 | 110.6 | ||||
| 175 | A | 43.1 | Very low | 42.1 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 176 | L | 48.9 | Very low | 42.5 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 135.6 | 175.3 | -86.4 | 75.7 | 0 | 0 | 0 | 110.5 | ||
| 177 | P | 47.2 | Very low | 43.1 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 131.1 | 166 | -7.2 | 24.2 | 0 | 0 | 0 | 110.6 | N179 | P177-N179 PolarHBondContact O-N 2.84Å; P177-N179 VanDerWaalsContact O-N 3.12Å |
| 178 | N | 46.3 | Very low | 43.6 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -80 | 75.3 | 176 | -86.3 | -6.7 | 0 | 0 | 0 | 111.2 | ||||
| 179 | N | 49.9 | Very low | 44.2 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -153.8 | 130 | 174.3 | -31.6 | 54 | 0 | 0 | 0 | 110.2 | P177 S181 | P177-N179 PolarHBondContact O-N 2.84Å; P177-N179 VanDerWaalsContact O-N 3.12Å; N179-S181 PolarHBondContact O-N 2.87Å |
| 180 | T | 51 | Low | 44.7 | Very low | 157 Ų | 157 | 143 Ų | 143 | 96% | 0.963 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -61.1 | 80.2 | -179.3 | 25 | 0 | 0 | 0 | 0 | 113 | ||
| 181 | S | 45.8 | Very low | 45.7 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | -164.9 | 113.8 | 162.1 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | N179 S183 | N179-S181 PolarHBondContact O-N 2.87Å; S181-S183 VanDerWaalsContact C-N 3.33Å; S181-S183 PolarHBondContact O-N 2.64Å | ||
| 182 | S | 39.8 | Very low | 46.7 | Very low | 133 Ų | 133 | 149 Ų | 149 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -89 | 21.7 | -170.3 | 51.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 183 | S | 42.2 | Very low | 48.3 | Very low | 88 Ų | 88 | 145.1 Ų | 145.1 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | trans | -119.6 | 123.2 | -178.9 | -173.3 | 0 | 0 | 0 | 0 | 113 | S181 Q185 | S181-S183 VanDerWaalsContact C-N 3.33Å; S181-S183 PolarHBondContact O-N 2.64Å; S183-Q185 PolarHBondContact O-N 3.46Å | ||
| 184 | P | 46 | Very low | 50.4 | Low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.8 | 172.1 | -9.9 | 24.6 | 0 | 0 | 0 | 110.6 | P186 | P184-P186 WeakPolarHBondContact O-CD 3.32Š|
| 185 | Q | 47 | Very low | 52.5 | Low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124.7 | 174.1 | -74.8 | -165 | -29.7 | 0 | 0 | 111.5 | S183 | S183-Q185 PolarHBondContact O-N 3.46Š|
| 186 | P | 48.5 | Very low | 54.7 | Low | 114 Ų | 114 | 145.1 Ų | 145.1 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 132.8 | 177.2 | 27.1 | -28.1 | 0 | 0 | 0 | 111.5 | P184 K188 | P184-P186 WeakPolarHBondContact O-CD 3.32Å; P186-K188 VanDerWaalsContact C-N 3.32Å; P186-K188 PolarHBondContact O-N 2.89Å |
| 187 | K | 48.2 | Very low | 56.8 | Low | 212 Ų | 212 | 144.2 Ų | 144.2 | 92% | 0.922 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -78.8 | 3.7 | -172 | -108.5 | -179.6 | -179.2 | 176.9 | 0 | 115.9 | ||
| 188 | K | 46.5 | Very low | 59 | Low | 186 Ų | 186 | 145.2 Ų | 145.2 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -146.1 | 144.3 | 177.1 | -71.6 | -170.3 | 176.9 | 178.6 | 0 | 110.4 | P186 | P186-K188 VanDerWaalsContact C-N 3.32Å; P186-K188 PolarHBondContact O-N 2.89Å |
| 189 | K | 46.3 | Very low | 61.3 | Low | 202 Ų | 202 | 146.1 Ų | 146.1 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 134.8 | 174.4 | -72.6 | -176.9 | 176.1 | -174.9 | 0 | 109.3 | L191 | K189-L191 PolarHBondContact O-N 2.74Š|
| 190 | P | 45.6 | Very low | 63.5 | Low | 115 Ų | 115 | 142.2 Ų | 142.2 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 139.1 | 171.3 | -12.5 | 25.7 | 0 | 0 | 0 | 108.5 | D192 | P190-D192 PolarHBondContact O-N 3.04Š|
| 191 | L | 56 | Low | 65.6 | Low | 132 Ų | 132 | 144.6 Ų | 144.6 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 116.9 | 156.3 | -94.7 | 128.7 | 0 | 0 | 0 | 105.6 | K189 G193 | K189-L191 PolarHBondContact O-N 2.74Å; L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 2.76Å |
| 192 | D | 60 | Low | 68 | Low | 178 Ų | 178 | 142 Ų | 142 | 95% | 0.952 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -69 | 89.8 | -175.5 | -156.6 | 18.7 | 0 | 0 | 0 | 108.5 | P190 | P190-D192 PolarHBondContact O-N 3.04Š|
| 193 | G | 71.1 | Confident | 70.6 | Confident | 41 Ų | 41 | 144.8 Ų | 144.8 | 42% | 0.423 | 73% | 0.727 | S | S | . | * | trans | -165.4 | 128.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L191 Y195 | L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 2.76Å; G193-Y195 WeakPolarHBondContact O-CD2 3.35Å; G193-Y195 WeakPolarHBondContact O-CE2 3.29Å; G193-Y195 PolarHBondContact O-N 3.09Å | ||
| 194 | E | 86 | Confident | 73.1 | Confident | 167 Ų | 167 | 147.8 Ų | 147.8 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | trans | -75.7 | 115.8 | 172 | -65.7 | -173.9 | 160.8 | 0 | 0 | 108.9 | F196 | E194-F196 HydrophobicContact CB-CE2 3.79Å; E194-F196 HydrophobicContact CB-CZ 4.08Å | ||
| 195 | Y | 86.7 | Confident | 75.5 | Confident | 188 Ų | 188 | 147.9 Ų | 147.9 | 74% | 0.737 | 72% | 0.716 | S | S | * | * | trans | -100.5 | 128 | 176 | -68.2 | -89.5 | 0 | 0 | 0 | 110 | G193 | G193-Y195 WeakPolarHBondContact O-CD2 3.35Å; G193-Y195 WeakPolarHBondContact O-CE2 3.29Å; G193-Y195 PolarHBondContact O-N 3.09Å | ||
| 196 | F | 89.7 | Confident | 77.8 | Confident | 175 Ų | 175 | 143.7 Ų | 143.7 | 77% | 0.768 | 70% | 0.696 | S | S | * | * | trans | -109.8 | 151.2 | 175.1 | -59.6 | -87 | 0 | 0 | 0 | 110.3 | E194 | E194-F196 HydrophobicContact CB-CE2 3.79Å; E194-F196 HydrophobicContact CB-CZ 4.08Å | ||
| 197 | T | 92.5 | Very high | 80 | Confident | 138 Ų | 138 | 142.4 Ų | 142.4 | 85% | 0.847 | 68% | 0.68 | S | S | * | * | trans | -101 | 131.1 | 172.4 | 57.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 198 | L | 93.1 | Very high | 82.2 | Confident | 130 Ų | 130 | 137.6 Ų | 137.6 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | trans | -123.2 | 120 | 178.6 | -178.1 | 63.4 | 0 | 0 | 0 | 109.9 | I200 | L198-I200 HydrophobicContact CD2-CD1 4.27Å; L198-I200 HydrophobicContact CD2-CG1 4.26Å; L198-I200 HydrophobicContact CG-CG1 4.09Å | ||
| 199 | Q | 95.2 | Very high | 84.6 | Confident | 182 Ų | 182 | 133.9 Ų | 133.9 | 85% | 0.85 | 65% | 0.646 | S | S | * | * | trans | -88.9 | 119.7 | 177.6 | -65.9 | -69.8 | 3 | 0 | 0 | 110.2 | ||||
| 200 | I | 95.4 | Very high | 86.9 | Confident | 44 Ų | 44 | 127.3 Ų | 127.3 | 23% | 0.226 | 62% | 0.615 | C | S | . | * | trans | -115.2 | 120.1 | -177.6 | -56.1 | 170.6 | 0 | 0 | 0 | 109.2 | L198 R205 F206 F209 | L198-I200 HydrophobicContact CD2-CD1 4.27Å; L198-I200 HydrophobicContact CD2-CG1 4.26Å; L198-I200 HydrophobicContact CG-CG1 4.09Å; I200-R205 HydrophobicContact CG2-CB 3.73Å; I200-F206 HydrophobicContact CB-CB 4.42Å; I200-F206 HydrophobicContact CD1-CD2 4.37Å; I200-F206 HydrophobicContact CG2-CB 4.25Å; I200-F209 HydrophobicContact CD1-CB 3.45Å; I200-F209 VanDerWaalsContact CD1-CB 3.45Å; I200-F209 HydrophobicContact CD1-CD1 4.49Å; I200-F209 HydrophobicContact CD1-CD2 3.76Å; I200-F209 HydrophobicContact CD1-CG 3.66Å; I200-F209 HydrophobicContact CG1-CD2 4.37Å; I200-F209 HydrophobicContact CG2-CD2 4.08Å | ||
| 201 | R | 96.4 | Very high | 89.2 | Confident | 207 Ų | 207 | 128.7 Ų | 128.7 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -73.8 | 129.2 | 177.7 | -176.2 | -179.3 | 171.4 | 173.4 | -0.1 | 110 | R205 | R201-R205 VanDerWaalsContact CG-NH2 3.28Å; R201-R205 PolarHBondContact O-NE 3.46Å; R201-R205 PolarHBondContact O-NH2 3.43Å |
| 202 | G | 95.4 | Very high | 91.1 | Very high | 44 Ų | 44 | 127.3 Ų | 127.3 | 45% | 0.454 | 61% | 0.605 | S | S | . | * | S | Bend | trans | 81.5 | 141.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F206 | G202-F206 PolarHBondContact O-N 3.29Å; G202-F206 VanDerWaalsContact O-N 3.13Å |
| 203 | R | 94.6 | Very high | 92.8 | Very high | 192 Ų | 192 | 123 Ų | 123 | 73% | 0.725 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.5 | -45.7 | -170.5 | -177.3 | 179.7 | -66 | -133.1 | -0.8 | 113.5 | R205 F206 E207 | R203-R205 VanDerWaalsContact C-N 3.35Å; R203-R205 PolarHBondContact O-N 3.45Å; R203-F206 WeakPolarHBondContact O-CB 3.43Å; R203-F206 PolarHBondContact O-N 2.94Å; R203-F206 VanDerWaalsContact O-N 3.14Å; R203-E207 WeakPolarHBondContact CG-OE1 3.25Å; R203-E207 WeakPolarHBondContact O-CG 3.42Å; R203-E207 PolarHBondContact O-N 2.93Å |
| 204 | E | 95.3 | Very high | 93.9 | Very high | 151 Ų | 151 | 123.9 Ų | 123.9 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.1 | -43.8 | -179 | -176.2 | 179 | -166.4 | 0 | 0 | 111.7 | F206 E207 M208 | E204-F206 VanDerWaalsContact C-N 3.35Å; E204-F206 PolarHBondContact O-N 3.17Å; E204-E207 PolarHBondContact O-N 3.19Å; E204-M208 PolarHBondContact O-N 2.89Å |
| 205 | R | 95.3 | Very high | 94.3 | Very high | 120 Ų | 120 | 118.6 Ų | 118.6 | 45% | 0.453 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.4 | -45.1 | 173.1 | -72.3 | -172.7 | -71.9 | -171.3 | -12.2 | 111.7 | I200 R201 R203 E207 M208 F209 | I200-R205 HydrophobicContact CG2-CB 3.73Å; R201-R205 VanDerWaalsContact CG-NH2 3.28Å; R201-R205 PolarHBondContact O-NE 3.46Å; R201-R205 PolarHBondContact O-NH2 3.43Å; R203-R205 VanDerWaalsContact C-N 3.35Å; R203-R205 PolarHBondContact O-N 3.45Å; R205-E207 VanDerWaalsContact C-N 3.28Å; R205-E207 PolarHBondContact O-N 3.4Å; R205-M208 HydrophobicContact CB-CE 4.34Å; R205-M208 HydrophobicContact CG-CE 3.92Å; R205-M208 PolarHBondContact O-N 2.84Å; R205-F209 VanDerWaalsContact O-CD2 3.27Å; R205-F209 WeakPolarHBondContact O-CD2 3.33Å; R205-F209 PolarHBondContact O-N 2.79Å; R205-F209 VanDerWaalsContact O-N 3.07Å |
| 206 | F | 96.6 | Very high | 94.7 | Very high | 100 Ų | 100 | 113.7 Ų | 113.7 | 44% | 0.439 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | 176 | 168.7 | -96.3 | 0 | 0 | 0 | 112 | I200 G202 R203 E204 F209 R210 | I200-F206 HydrophobicContact CB-CB 4.42Å; I200-F206 HydrophobicContact CD1-CD2 4.37Å; I200-F206 HydrophobicContact CG2-CB 4.25Å; G202-F206 PolarHBondContact O-N 3.29Å; G202-F206 VanDerWaalsContact O-N 3.13Å; R203-F206 WeakPolarHBondContact O-CB 3.43Å; R203-F206 PolarHBondContact O-N 2.94Å; R203-F206 VanDerWaalsContact O-N 3.14Å; E204-F206 VanDerWaalsContact C-N 3.35Å; E204-F206 PolarHBondContact O-N 3.17Å; F206-F209 PolarHBondContact O-N 2.91Å; F206-R210 WeakPolarHBondContact O-CB 3.49Å; F206-R210 PolarHBondContact O-N 3.06Å |
| 207 | E | 94.1 | Very high | 94.8 | Very high | 87 Ų | 87 | 110.6 Ų | 110.6 | 41% | 0.407 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 178.5 | -72.9 | 174.2 | -172 | 0 | 0 | 112.2 | R203 E204 R205 R210 E211 | R203-E207 WeakPolarHBondContact CG-OE1 3.25Å; R203-E207 WeakPolarHBondContact O-CG 3.42Å; R203-E207 PolarHBondContact O-N 2.93Å; E204-E207 PolarHBondContact O-N 3.19Å; R205-E207 VanDerWaalsContact C-N 3.28Å; R205-E207 PolarHBondContact O-N 3.4Å; E207-R210 PolarHBondContact O-N 2.87Å; E207-E211 WeakPolarHBondContact O-CB 3.06Å; E207-E211 PolarHBondContact O-N 2.94Å |
| 208 | M | 95 | Very high | 94.7 | Very high | 110 Ų | 110 | 108.9 Ų | 108.9 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 174.8 | -69 | -171.1 | -69.2 | 0 | 0 | 112.7 | E204 R205 R210 E211 L212 | E204-M208 PolarHBondContact O-N 2.89Å; R205-M208 HydrophobicContact CB-CE 4.34Å; R205-M208 HydrophobicContact CG-CE 3.92Å; R205-M208 PolarHBondContact O-N 2.84Å; M208-R210 VanDerWaalsContact C-N 3.3Å; M208-R210 PolarHBondContact O-N 2.83Å; M208-E211 PolarHBondContact O-N 3.36Å; M208-L212 PolarHBondContact O-N 2.86Å; M208-L212 VanDerWaalsContact O-N 3.13Å |
| 209 | F | 96.8 | Very high | 94.7 | Very high | 109 Ų | 109 | 109.4 Ų | 109.4 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 177.9 | -83.7 | -78.6 | 0 | 0 | 0 | 112 | I200 R205 F206 N213 | I200-F209 HydrophobicContact CD1-CB 3.45Å; I200-F209 VanDerWaalsContact CD1-CB 3.45Å; I200-F209 HydrophobicContact CD1-CD1 4.49Å; I200-F209 HydrophobicContact CD1-CD2 3.76Å; I200-F209 HydrophobicContact CD1-CG 3.66Å; I200-F209 HydrophobicContact CG1-CD2 4.37Å; I200-F209 HydrophobicContact CG2-CD2 4.08Å; R205-F209 VanDerWaalsContact O-CD2 3.27Å; R205-F209 WeakPolarHBondContact O-CD2 3.33Å; R205-F209 PolarHBondContact O-N 2.79Å; R205-F209 VanDerWaalsContact O-N 3.07Å; F206-F209 PolarHBondContact O-N 2.91Å; F209-N213 VanDerWaalsContact O-CB 3.32Å; F209-N213 WeakPolarHBondContact O-CB 3.36Å; F209-N213 PolarHBondContact O-N 2.98Å |
| 210 | R | 93.8 | Very high | 94.5 | Very high | 64 Ų | 64 | 106.1 Ų | 106.1 | 24% | 0.242 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 175.8 | -179.3 | -177.6 | 66.9 | 136.7 | 4 | 111.3 | E154 F206 E207 M208 N213 E214 | E154-R210 IonicContact OE2-NH1 2.74Å; F206-R210 WeakPolarHBondContact O-CB 3.49Å; F206-R210 PolarHBondContact O-N 3.06Å; E207-R210 PolarHBondContact O-N 2.87Å; M208-R210 VanDerWaalsContact C-N 3.3Å; M208-R210 PolarHBondContact O-N 2.83Å; R210-N213 PolarHBondContact O-N 2.83Å; R210-E214 HydrophobicContact CG-CG 4.39Å; R210-E214 WeakPolarHBondContact O-CB 3.37Å; R210-E214 WeakPolarHBondContact O-CG 3.5Å; R210-E214 PolarHBondContact O-N 3.3Å |
| 211 | E | 93.9 | Very high | 94.2 | Very high | 144 Ų | 144 | 107 Ų | 107 | 67% | 0.673 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 178.5 | -177.7 | 171.6 | -170.6 | 0 | 0 | 111.6 | E207 M208 A215 | E207-E211 WeakPolarHBondContact O-CB 3.06Å; E207-E211 PolarHBondContact O-N 2.94Å; M208-E211 PolarHBondContact O-N 3.36Å; E211-A215 WeakPolarHBondContact O-CB 3.29Å; E211-A215 PolarHBondContact O-N 3.27Å |
| 212 | L | 95.8 | Very high | 93.6 | Very high | 103 Ų | 103 | 103 Ų | 103 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.3 | -179.8 | 61.3 | 0 | 0 | 0 | 112.3 | M208 A215 L216 | M208-L212 PolarHBondContact O-N 2.86Å; M208-L212 VanDerWaalsContact O-N 3.13Å; L212-A215 PolarHBondContact O-N 3.04Å; L212-L216 HydrophobicContact CD1-CD1 4.45Å; L212-L216 HydrophobicContact CD1-CG 4.49Å; L212-L216 HydrophobicContact CG-CD1 4.34Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 2.65Å |
| 213 | N | 95.8 | Very high | 93 | Very high | 86 Ų | 86 | 103.8 Ų | 103.8 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | -179.3 | -172.1 | 78 | 0 | 0 | 0 | 111.8 | F209 R210 A215 L216 E217 | F209-N213 VanDerWaalsContact O-CB 3.32Å; F209-N213 WeakPolarHBondContact O-CB 3.36Å; F209-N213 PolarHBondContact O-N 2.98Å; R210-N213 PolarHBondContact O-N 2.83Å; N213-A215 VanDerWaalsContact C-N 3.28Å; N213-A215 PolarHBondContact O-N 3.32Å; N213-L216 PolarHBondContact O-N 3.17Å; N213-E217 PolarHBondContact ND2-OE1 2.96Å; N213-E217 WeakPolarHBondContact O-CG 3.28Å; N213-E217 PolarHBondContact O-N 3.18Å |
| 214 | E | 93.7 | Very high | 92 | Very high | 61 Ų | 61 | 98.1 Ų | 98.1 | 29% | 0.285 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 177.1 | -72.2 | 178.6 | 177.5 | 0 | 0 | 111.8 | R158 R210 L218 | R158-E214 IonicContact CZ-OE1 3.55Å; R158-E214 IonicContact NH2-OE1 3.32Å; R158-E214 PolarHBondContact NH2-OE1 3.31Å; R210-E214 HydrophobicContact CG-CG 4.39Å; R210-E214 WeakPolarHBondContact O-CB 3.37Å; R210-E214 WeakPolarHBondContact O-CG 3.5Å; R210-E214 PolarHBondContact O-N 3.3Å; E214-L218 WeakPolarHBondContact O-CB 3.18Å; E214-L218 PolarHBondContact O-N 2.93Å |
| 215 | A | 94.8 | Very high | 90.4 | Very high | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E211 L212 N213 L218 K219 | E211-A215 WeakPolarHBondContact O-CB 3.29Å; E211-A215 PolarHBondContact O-N 3.27Å; L212-A215 PolarHBondContact O-N 3.04Å; N213-A215 VanDerWaalsContact C-N 3.28Å; N213-A215 PolarHBondContact O-N 3.32Å; A215-L218 PolarHBondContact O-N 3.05Å; A215-K219 PolarHBondContact O-N 3.01Å; A215-K219 VanDerWaalsContact O-N 3.09Å |
| 216 | L | 94.9 | Very high | 87.8 | Confident | 84 Ų | 84 | 100.8 Ų | 100.8 | 44% | 0.44 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.2 | -42.5 | 175.7 | -68.1 | 173.8 | 0 | 0 | 0 | 111.9 | L212 N213 L218 K219 D220 | L212-L216 HydrophobicContact CD1-CD1 4.45Å; L212-L216 HydrophobicContact CD1-CG 4.49Å; L212-L216 HydrophobicContact CG-CD1 4.34Å; L212-L216 WeakPolarHBondContact O-CG 3.31Å; L212-L216 PolarHBondContact O-N 2.65Å; N213-L216 PolarHBondContact O-N 3.17Å; L216-L218 PolarHBondContact O-N 2.84Å; L216-K219 WeakPolarHBondContact O-CA 3.34Å; L216-K219 WeakPolarHBondContact O-CB 3.32Å; L216-K219 PolarHBondContact O-N 2.86Å; L216-D220 PolarHBondContact O-N 3.23Å |
| 217 | E | 92.5 | Very high | 85.1 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.9 | -38.5 | 173.8 | -73.1 | 176.2 | 179.6 | 0 | 0 | 111.9 | N213 D220 A221 | N213-E217 PolarHBondContact ND2-OE1 2.96Å; N213-E217 WeakPolarHBondContact O-CG 3.28Å; N213-E217 PolarHBondContact O-N 3.18Å; E217-D220 PolarHBondContact O-N 3.11Å; E217-A221 WeakPolarHBondContact O-CB 3.49Å; E217-A221 PolarHBondContact O-N 3.34Å |
| 218 | L | 90.5 | Very high | 82.4 | Confident | 103 Ų | 103 | 101.2 Ų | 101.2 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.4 | -38.1 | 175.4 | -175.6 | 141.5 | 0 | 0 | 0 | 112.1 | E214 A215 L216 A221 Q222 | E214-L218 WeakPolarHBondContact O-CB 3.18Å; E214-L218 PolarHBondContact O-N 2.93Å; A215-L218 PolarHBondContact O-N 3.05Å; L216-L218 PolarHBondContact O-N 2.84Å; L218-A221 PolarHBondContact O-N 2.87Å; L218-Q222 HydrophobicContact CD2-CG 4.48Å; L218-Q222 VanDerWaalsContact CD2-NE2 3.27Å; L218-Q222 WeakPolarHBondContact O-CG 3.25Å; L218-Q222 PolarHBondContact O-N 3.41Å |
| 219 | K | 92.6 | Very high | 79.4 | Confident | 140 Ų | 140 | 98.9 Ų | 98.9 | 61% | 0.609 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.9 | -44.4 | 173.9 | -174 | -174.6 | 175.7 | -174.6 | 0 | 111.1 | A215 L216 Q222 A223 | A215-K219 PolarHBondContact O-N 3.01Å; A215-K219 VanDerWaalsContact O-N 3.09Å; L216-K219 WeakPolarHBondContact O-CA 3.34Å; L216-K219 WeakPolarHBondContact O-CB 3.32Å; L216-K219 PolarHBondContact O-N 2.86Å; K219-Q222 PolarHBondContact O-N 2.8Å; K219-A223 PolarHBondContact O-N 3.2Å |
| 220 | D | 91.9 | Very high | 76.3 | Confident | 114 Ų | 114 | 99.9 Ų | 99.9 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.2 | -42 | 178.4 | -64.1 | -24.1 | 0 | 0 | 0 | 111.6 | L216 E217 Q222 A223 G224 | L216-D220 PolarHBondContact O-N 3.23Å; E217-D220 PolarHBondContact O-N 3.11Å; D220-Q222 VanDerWaalsContact C-N 3.25Å; D220-Q222 PolarHBondContact O-N 3.22Å; D220-A223 PolarHBondContact O-N 2.77Å; D220-G224 PolarHBondContact O-N 2.62Å |
| 221 | A | 89.3 | Confident | 73.4 | Confident | 62 Ų | 62 | 107.5 Ų | 107.5 | 51% | 0.512 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.3 | -25.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E217 L218 | E217-A221 WeakPolarHBondContact O-CB 3.49Å; E217-A221 PolarHBondContact O-N 3.34Å; L218-A221 PolarHBondContact O-N 2.87Å |
| 222 | Q | 82.8 | Confident | 70.4 | Confident | 122 Ų | 122 | 105.6 Ų | 105.6 | 57% | 0.57 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.3 | -40.1 | 173.3 | -74.3 | -177.9 | 7.3 | 0 | 0 | 112.3 | L218 K219 D220 G224 K225 | L218-Q222 HydrophobicContact CD2-CG 4.48Å; L218-Q222 VanDerWaalsContact CD2-NE2 3.27Å; L218-Q222 WeakPolarHBondContact O-CG 3.25Å; L218-Q222 PolarHBondContact O-N 3.41Å; K219-Q222 PolarHBondContact O-N 2.8Å; D220-Q222 VanDerWaalsContact C-N 3.25Å; D220-Q222 PolarHBondContact O-N 3.22Å; Q222-G224 PolarHBondContact O-N 2.95Å; Q222-K225 WeakPolarHBondContact O-CA 3.28Å; Q222-K225 WeakPolarHBondContact O-CB 3.35Å; Q222-K225 PolarHBondContact O-N 3.42Å |
| 223 | A | 83.6 | Confident | 67.5 | Low | 62 Ų | 62 | 109.3 Ų | 109.3 | 51% | 0.512 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.3 | -32.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K219 D220 K225 | K219-A223 PolarHBondContact O-N 3.2Å; D220-A223 PolarHBondContact O-N 2.77Å; A223-K225 PolarHBondContact O-N 2.88Å; A223-K225 VanDerWaalsContact O-N 3.17Å |
| 224 | G | 73 | Confident | 64.5 | Low | 73 Ų | 73 | 109.8 Ų | 109.8 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -9.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D220 Q222 | D220-G224 PolarHBondContact O-N 2.62Å; Q222-G224 PolarHBondContact O-N 2.95Å |
| 225 | K | 60.9 | Low | 61.8 | Low | 168 Ų | 168 | 111.9 Ų | 111.9 | 73% | 0.73 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -108.3 | 52.8 | 177.4 | -61.5 | 177.2 | -177 | 172 | 0 | 110.7 | Q222 A223 | Q222-K225 WeakPolarHBondContact O-CA 3.28Å; Q222-K225 WeakPolarHBondContact O-CB 3.35Å; Q222-K225 PolarHBondContact O-N 3.42Å; A223-K225 PolarHBondContact O-N 2.88Å; A223-K225 VanDerWaalsContact O-N 3.17Å |
| 226 | E | 41.2 | Very low | 59 | Low | 159 Ų | 159 | 117.7 Ų | 117.7 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | -49 | 140.6 | 168.9 | -82.7 | -72.3 | 129.5 | 0 | 0 | 111.1 | G228 | E226-G228 PolarHBondContact O-N 3.34Š| ||
| 227 | P | 40.5 | Very low | 56.4 | Low | 114 Ų | 114 | 121.1 Ų | 121.1 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | trans | -73.7 | 92.2 | -174 | 29.8 | -31.4 | 0 | 0 | 0 | 109.8 | G229 | P227-G229 VanDerWaalsContact C-N 3.32Å; P227-G229 PolarHBondContact O-N 3.01Å | ||
| 228 | G | 37.3 | Very low | 53.9 | Low | 81 Ų | 81 | 125.4 Ų | 125.4 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | trans | -61.7 | 92.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E226 | E226-G228 PolarHBondContact O-N 3.34Š| ||
| 229 | G | 33 | Very low | 51.2 | Low | 62 Ų | 62 | 126.1 Ų | 126.1 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | trans | -55.9 | 142.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P227 R231 | P227-G229 VanDerWaalsContact C-N 3.32Å; P227-G229 PolarHBondContact O-N 3.01Å; G229-R231 PolarHBondContact O-N 2.82Å | ||
| 230 | S | 30.8 | Very low | 48.7 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -21.4 | 98.7 | 160.1 | -51.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 231 | R | 33.7 | Very low | 46.2 | Very low | 223 Ų | 223 | 134.3 Ų | 134.3 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | -126.9 | 103.8 | 154 | -84.4 | -172.8 | 174.4 | 169.4 | 0 | 108.9 | G229 H233 | G229-R231 PolarHBondContact O-N 2.82Å; R231-H233 PolarHBondContact O-N 3.02Å | ||
| 232 | A | 30.3 | Very low | 43.7 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -50.2 | 106.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109 | S234 | A232-S234 PolarHBondContact O-N 2.84Š| ||
| 233 | H | 34.8 | Very low | 41.6 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -80.4 | 96.2 | 163.1 | -94.3 | -77 | 0 | 0 | 0 | 107.5 | R231 S235 | R231-H233 PolarHBondContact O-N 3.02Å; H233-S235 PolarHBondContact O-N 3.24Å | ||
| 234 | S | 33.4 | Very low | 39.6 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -56.1 | 125 | 161.3 | 60.3 | 0 | 0 | 0 | 0 | 108.5 | A232 H236 | A232-S234 PolarHBondContact O-N 2.84Å; S234-H236 PolarHBondContact O-N 3.04Å | ||
| 235 | S | 35.9 | Very low | 38.2 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -72.4 | 96.3 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | H233 L237 | H233-S235 PolarHBondContact O-N 3.24Å; S235-L237 PolarHBondContact O-N 3.5Å | ||
| 236 | H | 36.1 | Very low | 37.3 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -79.3 | 87.8 | 162.7 | -114.5 | -66.6 | 0 | 0 | 0 | 109 | S234 K238 | S234-H236 PolarHBondContact O-N 3.04Å; H236-K238 PolarHBondContact O-N 3.2Å | ||
| 237 | L | 40.1 | Very low | 37.4 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -66.9 | 110.2 | 166.6 | -89.1 | 146.8 | 0 | 0 | 0 | 109.1 | S235 S239 | S235-L237 PolarHBondContact O-N 3.5Å; L237-S239 PolarHBondContact O-N 3.17Å | ||
| 238 | K | 41 | Very low | 37.4 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -78.2 | 115.6 | 169.6 | -84.9 | -179.5 | 174.1 | 175 | 0 | 110 | H236 | H236-K238 PolarHBondContact O-N 3.2Š| ||
| 239 | S | 33.3 | Very low | 37.6 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -58.8 | 131.1 | 167.5 | -63 | 0 | 0 | 0 | 0 | 112.7 | L237 | L237-S239 PolarHBondContact O-N 3.17Š| ||
| 240 | K | 40.7 | Very low | 37.8 | Very low | 207 Ų | 207 | 159.6 Ų | 159.6 | 90% | 0.9 | 83% | 0.832 | S | S | * | * | trans | -157.1 | 91.4 | 149.2 | -117.7 | 178.9 | -179.5 | -177.4 | 0 | 112.6 | ||||
| 241 | K | 38.5 | Very low | 37.8 | Very low | 218 Ų | 218 | 160.6 Ų | 160.6 | 95% | 0.948 | 83% | 0.827 | S | S | * | * | 43.7 | 115.9 | 127.8 | -142.2 | 172.3 | -173.9 | 179.1 | 0 | 119.7 | |||||
| 242 | G | 36.8 | Very low | 38 | Very low | 73 Ų | 73 | 156.9 Ų | 156.9 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | 160.4 | 74.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 243 | Q | 38.7 | Very low | 38.4 | Very low | 194 Ų | 194 | 160.2 Ų | 160.2 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | 62.6 | 92.6 | 98.2 | -157.1 | 176.2 | 31.6 | 0 | 0 | 115 | |||||
| 244 | S | 41.3 | Very low | 38.6 | Very low | 109 Ų | 109 | 159.7 Ų | 159.7 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | -177.1 | 118.6 | 129.8 | 42.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 245 | T | 43.8 | Very low | 38.7 | Very low | 134 Ų | 134 | 161 Ų | 161 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | 12.1 | 144.2 | 139.9 | 60.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 246 | S | 43.3 | Very low | 39.2 | Very low | 95 Ų | 95 | 164.3 Ų | 164.3 | 66% | 0.664 | 82% | 0.819 | S | S | * | * | cis | -179.6 | 161.4 | -4.1 | 62.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 247 | R | 42.1 | Very low | 39.8 | Very low | 224 Ų | 224 | 158.9 Ų | 158.9 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 104.1 | 90.2 | 157.7 | -63.1 | 179.3 | 180 | -164.2 | -1.7 | 118.9 | ||||
| 248 | H | 40.3 | Very low | 40.1 | Very low | 184 Ų | 184 | 157.5 Ų | 157.5 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | 41.6 | 115.7 | 118.6 | -75.6 | -101.6 | 0 | 0 | 0 | 119.2 | |||||
| 249 | K | 42.1 | Very low | 40.3 | Very low | 215 Ų | 215 | 155.5 Ų | 155.5 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | -167.2 | 150 | 106.3 | -106.5 | 172.8 | -179.5 | 177.7 | 0 | 113.2 | |||||
| 250 | K | 36.8 | Very low | 41.1 | Very low | 206 Ų | 206 | 154.7 Ų | 154.7 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | trans | -83.6 | 154.3 | -164.3 | -113.7 | 171 | 172.2 | 179 | 0 | 113.3 | ||||
| 251 | L | 30.8 | Very low | 41.5 | Very low | 152 Ų | 152 | 156.6 Ų | 156.6 | 80% | 0.796 | 83% | 0.825 | S | S | * | * | trans | -47.2 | 170.6 | 160.7 | -150 | 83.4 | 0 | 0 | 0 | 114.8 | ||||
| 252 | M | 38.8 | Very low | 41.6 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 71% | 0.709 | 82% | 0.819 | S | S | * | * | trans | 113 | 129.6 | 165.5 | -61.5 | -98.9 | 82 | 0 | 0 | 110.6 | ||||
| 253 | F | 38.4 | Very low | 41.9 | Very low | 175 Ų | 175 | 157.7 Ų | 157.7 | 77% | 0.768 | 82% | 0.822 | S | S | * | * | cis | -161.2 | 170.2 | 20.6 | -122.2 | -121.4 | 0 | 0 | 0 | 105 | ||||
| 254 | K | 38.5 | Very low | 42 | Very low | 169 Ų | 169 | 155.7 Ų | 155.7 | 74% | 0.735 | 82% | 0.818 | S | S | * | * | -179.2 | 135.4 | 57.2 | -167.7 | 171.1 | 178.3 | -162.6 | 0 | 109.3 | |||||
| 255 | T | 36.5 | Very low | 42.1 | Very low | 126 Ų | 126 | 158.5 Ų | 158.5 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -71.7 | 140.5 | 165.5 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 256 | E | 46.1 | Very low | 42 | Very low | 173 Ų | 173 | 160 Ų | 160 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | -124.7 | 120.4 | 151.4 | -71.6 | -165.5 | 164.6 | 0 | 0 | 108.3 | ||||
| 257 | G | 48 | Very low | 41.9 | Very low | 64 Ų | 64 | 164.3 Ų | 164.3 | 66% | 0.66 | 83% | 0.831 | S | S | * | * | trans | -94.9 | -178.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 258 | P | 47 | Very low | 41.9 | Very low | 127 Ų | 127 | 160.1 Ų | 160.1 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -109.8 | 164.7 | -143.6 | 39.6 | -32.4 | 0 | 0 | 0 | 115.3 | ||||
| 259 | D | 43.9 | Very low | 42 | Very low | 159 Ų | 159 | 158.2 Ų | 158.2 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -168.5 | 145.9 | 159.8 | -100.1 | -35.3 | 0 | 0 | 0 | 106.2 | ||||
| 260 | S | 50.3 | Low | 42 | Very low | 100 Ų | 100 | 153.5 Ų | 153.5 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | cis | -169.8 | 139.2 | 4.9 | -101.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 261 | D | 48.8 | Very low | 42.5 | Very low | 247 Ų | 247 | 148.7 Ų | 148.7 | 100% | 1.321 | 81% | 0.813 | S | S | * | * | trans | -172.8 | 0 | 137.1 | -111 | -9.9 | 0 | 0 | 0 | 109.2 |
Retrieved 261 of 261 residues in 111 ms
(Link to these results)