| 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 | 57.4 | Low | 86.4 | Confident | 159 Ų | 159 | 79.9 Ų | 79.9 | 78% | 0.783 | 39% | 0.385 | S | S | * | . | 0 | -114.6 | 0 | -62 | -176.3 | -175.8 | 0 | 0 | 106.7 | |||||
| 2 | D | 79.4 | Confident | 87 | Confident | 22 Ų | 22 | 73.3 Ų | 73.3 | 12% | 0.118 | 35% | 0.353 | C | S | . | . | trans | -46.2 | -74.8 | -172.4 | -155.6 | -4.2 | 0 | 0 | 0 | 115.9 | Q222 K371 | D2-Q222 PolarHBondContact O-NE2 3.22Å; D2-K371 IonicContact OD2-NZ 3.55Å; D2-K371 PolarHBondContact OD2-NZ 3.37Å | ||
| 3 | S | 87.5 | Confident | 87.7 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | trans | -92.3 | 147.1 | -178.8 | 179.3 | 0 | 0 | 0 | 0 | 113.5 | I5 K79 | S3-I5 PolarHBondContact OG-N 3.42Å; S3-K79 PolarHBondContact O-NZ 2.86Å | ||
| 4 | R | 92.5 | Very high | 88.1 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 5% | 0.053 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -92.3 | 1.5 | 175 | -64.8 | -178.1 | 65.5 | -179 | 4.3 | 114.4 | T74 S78 K79 Q80 W221 Q222 H223 | R4-T74 PolarHBondContact NH2-OG1 2.95Å; R4-S78 PolarHBondContact NE-O 3.28Å; R4-S78 PolarHBondContact NH2-O 2.88Å; R4-K79 VanDerWaalsContact O-CA 3.26Å; R4-K79 WeakPolarHBondContact O-CA 3.44Å; R4-K79 WeakPolarHBondContact O-CD 3.07Å; R4-Q80 HydrophobicContact CB-CG 4.14Å; R4-Q80 PolarHBondContact O-N 3.42Å; R4-W221 WeakPolarHBondContact CD-O 3.46Å; R4-W221 PolarHBondContact NH1-O 3.16Å; R4-Q222 PolarHBondContact NH1-O 3.3Å; R4-H223 PolarHBondContact NH1-O 2.83Å |
| 5 | I | 92.7 | Very high | 88.6 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -74.8 | 144 | 166.3 | -51.3 | -57.1 | 0 | 0 | 0 | 109.3 | S3 E7 K79 F82 P102 | S3-I5 PolarHBondContact OG-N 3.42Å; I5-E7 PolarHBondContact O-N 2.62Å; I5-K79 PolarHBondContact O-NZ 2.85Å; I5-F82 HydrophobicContact CD1-CE2 3.84Å; I5-F82 HydrophobicContact CD1-CZ 3.56Å; I5-P102 HydrophobicContact CD1-CB 4.3Å; I5-P102 HydrophobicContact CD1-CG 4.16Å; I5-P102 HydrophobicContact CG2-CG 4.33Å |
| 6 | K | 92.1 | Very high | 89 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 25% | 0.252 | 28% | 0.276 | S | S | . | . | trans | -78 | 115.8 | 172.9 | -170.7 | 167.5 | 180 | 176 | 0 | 108.4 | N8 Y100 | K6-N8 VanDerWaalsContact C-N 3.33Å; K6-N8 PolarHBondContact O-N 2.99Å; K6-Y100 HydrophobicContact CB-CD1 3.53Å; K6-Y100 HydrophobicContact CB-CE1 4.1Å; K6-Y100 HydrophobicContact CB-CG 4.04Å; K6-Y100 HydrophobicContact CD-CD1 3.52Å; K6-Y100 HydrophobicContact CD-CD2 3.94Å; K6-Y100 HydrophobicContact CD-CE1 3.47Å; K6-Y100 VanDerWaalsContact CD-CE1 3.47Å; K6-Y100 HydrophobicContact CD-CE2 3.91Å; K6-Y100 HydrophobicContact CD-CG 3.73Å; K6-Y100 HydrophobicContact CG-CD1 4.17Å; K6-Y100 HydrophobicContact CG-CE1 4.41Å; K6-Y100 HydrophobicContact CG-CG 4.49Å | ||
| 7 | E | 85.9 | Confident | 89.3 | Confident | 155 Ų | 155 | 53.8 Ų | 53.8 | 72% | 0.724 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -66.9 | -33.5 | -169.6 | -66.4 | 177.7 | -167 | 0 | 0 | 113.3 | I5 | I5-E7 PolarHBondContact O-N 2.62Š|
| 8 | N | 88.1 | Confident | 89.6 | Confident | 135 Ų | 135 | 52.9 Ų | 52.9 | 72% | 0.722 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -134.3 | 86.6 | 177.5 | -57.5 | -88.2 | 0 | 0 | 0 | 107.9 | K6 | K6-N8 VanDerWaalsContact C-N 3.33Å; K6-N8 PolarHBondContact O-N 2.99Å |
| 9 | P | 92 | Very high | 89.9 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | trans | -73.9 | 152.1 | 167.7 | 30 | -27.6 | 0 | 0 | 0 | 109.8 | L101 V138 | P9-L101 HydrophobicContact CG-CD2 3.62Å; P9-L101 HydrophobicContact CG-CG 3.95Å; P9-V138 HydrophobicContact CG-CG2 4.3Å | ||
| 10 | E | 90.3 | Very high | 90 | Very high | 170 Ų | 170 | 48.6 Ų | 48.6 | 79% | 0.794 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -78.1 | -26.8 | -176.1 | -68.6 | 167.7 | -146.6 | 0 | 0 | 112.5 | ||
| 11 | R | 92.4 | Very high | 89.9 | Confident | 93 Ų | 93 | 47.8 Ų | 47.8 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -133.7 | 165.9 | -175.8 | -61.7 | -172.6 | 178.1 | -85.3 | 2.1 | 111.4 | F13 Y134 V138 | R11-F13 WeakPolarHBondContact CB-O 3.48Å; R11-Y134 PolarHBondContact NE-OH 3.03Å; R11-Y134 VanDerWaalsContact NH1-CE1 3.31Å; R11-Y134 PolarHBondContact NH1-O 2.87Å; R11-Y134 VanDerWaalsContact NH1-O 3.13Å; R11-V138 WeakPolarHBondContact O-CG2 2.99Å |
| 12 | T | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -68 | -37.3 | 168.6 | 53.9 | 0 | 0 | 0 | 0 | 112 | S99 Y107 L133 L136 | T12-S99 WeakPolarHBondContact O-CB 3.32Å; T12-S99 PolarHBondContact O-OG 3.46Å; T12-Y107 PolarHBondContact O-OH 2.69Å; T12-L133 HydrophobicContact CG2-CD1 4.02Å; T12-L133 PolarHBondContact OG1-O 3.3Å; T12-L136 HydrophobicContact CG2-CB 4.1Å; T12-L136 HydrophobicContact CG2-CD2 4.06Å; T12-L136 HydrophobicContact CG2-CG 4.39Å |
| 13 | F | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -151.2 | 158.5 | 174.1 | 71.9 | -89.8 | 0 | 0 | 0 | 109.8 | R11 V16 F35 L97 L98 L130 L133 Y134 | R11-F13 WeakPolarHBondContact CB-O 3.48Å; F13-V16 HydrophobicContact CD2-CG2 3.81Å; F13-V16 HydrophobicContact CE2-CG2 3.6Å; F13-V16 HydrophobicContact CZ-CG2 4.22Å; F13-F35 AromaticContact CE2-CD1 3.88Å; F13-F35 HydrophobicContact CE2-CD1 3.88Å; F13-F35 HydrophobicContact CE2-CE1 4.14Å; F13-F35 AromaticContact CZ-CD1 3.82Å; F13-F35 HydrophobicContact CZ-CD1 3.82Å; F13-F35 AromaticContact CZ-CE1 3.74Å; F13-F35 HydrophobicContact CZ-CE1 3.74Å; F13-L97 HydrophobicContact CB-CD1 4.39Å; F13-L97 HydrophobicContact CB-CD2 3.83Å; F13-L97 HydrophobicContact CB-CG 4.08Å; F13-L97 HydrophobicContact CG-CD1 4.35Å; F13-L97 HydrophobicContact CG-CG 4.36Å; F13-L98 WeakPolarHBondContact CB-O 3.2Å; F13-L130 HydrophobicContact CZ-CD2 4.09Å; F13-L133 HydrophobicContact CD1-CD2 3.77Å; F13-L133 HydrophobicContact CD1-CG 3.81Å; F13-L133 HydrophobicContact CE1-CB 3.98Å; F13-L133 HydrophobicContact CE1-CD2 3.78Å; F13-L133 HydrophobicContact CE1-CG 3.72Å; F13-Y134 HydrophobicContact CD2-CD2 4.36Å; F13-Y134 HydrophobicContact CE1-CD2 4.23Å; F13-Y134 AromaticContact CE2-CD2 3.87Å; F13-Y134 HydrophobicContact CE2-CD2 3.87Å; F13-Y134 AromaticContact CZ-CD2 3.83Å; F13-Y134 HydrophobicContact CZ-CD2 3.83Å; F13-Y134 HydrophobicContact CZ-CG 4.18Å | ||
| 14 | D | 93.6 | Very high | 91.2 | Very high | 32 Ų | 32 | 44.9 Ų | 44.9 | 17% | 0.171 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -99.3 | -36.5 | -173.7 | -53.6 | -54.5 | 0 | 0 | 0 | 111.8 | L98 Y100 | D14-L98 HydrophobicContact CB-CD2 4.45Å; D14-L98 PolarHBondContact N-O 3.34Å; D14-Y100 WeakPolarHBondContact OD2-CD2 3.4Å |
| 15 | L | 95 | Very high | 90.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 145.3 | -175.3 | 176.3 | 64.6 | 0 | 0 | 0 | 111.1 | V17 F35 H39 V44 L45 I48 L98 | L15-V17 HydrophobicContact CD1-CG1 4.02Å; L15-V17 HydrophobicContact CD2-CG1 3.95Å; L15-V17 HydrophobicContact CG-CG1 3.91Å; L15-F35 CarbonylContact C-O 3.53Å; L15-H39 HydrophobicContact CD1-CB 4.07Å; L15-V44 HydrophobicContact CD2-CG1 3.87Å; L15-L45 HydrophobicContact CD2-CD2 3.95Å; L15-I48 HydrophobicContact CD2-CD1 3.77Å; L15-L98 HydrophobicContact CB-CB 4.39Å; L15-L98 PolarHBondContact O-N 3.36Å |
| 16 | V | 95.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.2 | 161.8 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | F13 W33 S34 F35 I95 C96 L97 L130 | F13-V16 HydrophobicContact CD2-CG2 3.81Å; F13-V16 HydrophobicContact CE2-CG2 3.6Å; F13-V16 HydrophobicContact CZ-CG2 4.22Å; V16-W33 HydrophobicContact CB-CH2 4.49Å; V16-W33 HydrophobicContact CB-CZ3 4.36Å; V16-W33 HydrophobicContact CG1-CH2 4.33Å; V16-W33 HydrophobicContact CG1-CZ3 3.94Å; V16-S34 CarbonylContact O-C 3.55Å; V16-S34 VanDerWaalsContact O-CA 3.3Å; V16-S34 WeakPolarHBondContact O-CA 3.47Å; V16-F35 PolarHBondContact N-O 3.41Å; V16-F35 PolarHBondContact O-N 3.46Å; V16-I95 HydrophobicContact CG1-CG2 4.37Å; V16-C96 CarbonylContact C-O 3.51Å; V16-C96 VanDerWaalsContact CA-O 3.28Å; V16-C96 WeakPolarHBondContact CA-O 3.42Å; V16-C96 WeakPolarHBondContact CG1-O 3.45Å; V16-L97 HydrophobicContact CG2-CB 4.09Å; V16-L97 HydrophobicContact CG2-CD1 3.91Å; V16-L97 HydrophobicContact CG2-CG 3.88Å; V16-L130 HydrophobicContact CG2-CD2 3.95Å |
| 17 | V | 94.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.4 | 174.5 | -64.1 | 0 | 0 | 0 | 0 | 112 | L15 V19 V31 W33 L45 I48 I95 C96 | L15-V17 HydrophobicContact CD1-CG1 4.02Å; L15-V17 HydrophobicContact CD2-CG1 3.95Å; L15-V17 HydrophobicContact CG-CG1 3.91Å; V17-V19 HydrophobicContact CB-CG2 4.17Å; V17-V19 HydrophobicContact CG2-CG2 3.66Å; V17-V31 HydrophobicContact CB-CG1 4.34Å; V17-V31 HydrophobicContact CG1-CG1 4.3Å; V17-W33 WeakPolarHBondContact CA-O 3.4Å; V17-L45 HydrophobicContact CG1-CD2 4.27Å; V17-I48 HydrophobicContact CG2-CG2 3.57Å; V17-I95 WeakPolarHBondContact O-CA 3.37Å; V17-C96 HydrophobicContact CG2-CB 3.95Å; V17-C96 PolarHBondContact N-O 2.75Å; V17-C96 PolarHBondContact O-N 2.82Å |
| 18 | Q | 94.1 | Very high | 89.6 | Confident | 38 Ų | 38 | 53.2 Ų | 53.2 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.3 | 164.2 | -174.5 | -177.7 | 8.5 | 0 | 0 | 107.9 | L32 W33 V93 C94 I95 | Q18-L32 HydrophobicContact CG-CB 4.46Å; Q18-L32 HydrophobicContact CG-CD1 4.35Å; Q18-L32 PolarHBondContact O-N 3.05Å; Q18-W33 HydrophobicContact CB-CB 4.31Å; Q18-W33 HydrophobicContact CB-CE3 3.97Å; Q18-W33 PolarHBondContact N-O 3.49Å; Q18-W33 PolarHBondContact O-N 2.82Å; Q18-V93 HydrophobicContact CG-CG1 3.57Å; Q18-C94 WeakPolarHBondContact CA-O 3.39Å; Q18-I95 HydrophobicContact CG-CG1 4.4Å |
| 19 | V | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132 | -172.3 | -167.4 | 0 | 0 | 0 | 0 | 109.9 | V17 P29 T30 V31 P49 C52 F53 V93 C94 | V17-V19 HydrophobicContact CB-CG2 4.17Å; V17-V19 HydrophobicContact CG2-CG2 3.66Å; V19-P29 HydrophobicContact CG1-CB 3.82Å; V19-T30 CarbonylContact C-O 3.52Å; V19-T30 WeakPolarHBondContact CA-O 3.11Å; V19-T30 WeakPolarHBondContact CG1-O 3.11Å; V19-V31 HydrophobicContact CG2-CG2 4.5Å; V19-P49 HydrophobicContact CG1-CB 3.67Å; V19-P49 HydrophobicContact CG1-CG 4.29Å; V19-C52 HydrophobicContact CB-CB 4.45Å; V19-C52 HydrophobicContact CG2-CB 4.49Å; V19-F53 HydrophobicContact CB-CE2 4.09Å; V19-F53 HydrophobicContact CG1-CE2 3.84Å; V19-V93 CarbonylContact O-C 3.52Å; V19-V93 VanDerWaalsContact O-CA 3.25Å; V19-V93 WeakPolarHBondContact O-CA 3.45Å; V19-C94 PolarHBondContact N-O 2.7Å; V19-C94 PolarHBondContact O-N 2.71Å |
| 20 | A | 93 | Very high | 89.7 | Confident | 19 Ų | 19 | 50.9 Ų | 50.9 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 142.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P29 T30 L32 F53 | A20-P29 WeakPolarHBondContact O-CB 3.28Å; A20-T30 PolarHBondContact N-O 3.29Å; A20-T30 PolarHBondContact O-N 3.26Å; A20-L32 HydrophobicContact CB-CD1 4.09Å; A20-L32 HydrophobicContact CB-CD2 4.02Å; A20-L32 HydrophobicContact CB-CG 4.02Å; A20-F53 WeakPolarHBondContact O-CE2 3.41Å |
| 21 | C | 88.7 | Confident | 89.8 | Confident | 31 Ų | 31 | 45.5 Ų | 45.5 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 137.8 | 173.3 | -163.4 | 0 | 0 | 0 | 0 | 110 | F53 C91 R92 | C21-F53 VanDerWaalsContact CA-CZ 3.5Å; C21-F53 HydrophobicContact CB-CD1 4.01Å; C21-F53 HydrophobicContact CB-CE1 3.54Å; C21-F53 HydrophobicContact CB-CE2 4.31Å; C21-F53 HydrophobicContact CB-CZ 3.71Å; C21-F53 VanDerWaalsContact N-CZ 3.34Å; C21-C91 VanDerWaalsContact CB-O 3.28Å; C21-C91 WeakPolarHBondContact CB-O 3.34Å; C21-C91 PolarHBondContact SG-O 3.19Å; C21-R92 WeakPolarHBondContact CB-O 3.14Å; C21-R92 PolarHBondContact N-O 2.87Å |
| 22 | P | 87.6 | Confident | 89.7 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 158.8 | 180 | 32.9 | -36.2 | 0 | 0 | 0 | 111.5 | E27 P29 V57 | P22-E27 HydrophobicContact CB-CB 3.98Å; P22-E27 WeakPolarHBondContact CB-O 3.25Å; P22-P29 HydrophobicContact CB-CG 4.45Å; P22-P29 HydrophobicContact CG-CB 4.48Å; P22-P29 HydrophobicContact CG-CG 3.98Å; P22-V57 HydrophobicContact CG-CG2 4.25Å |
| 23 | S | 81.5 | Confident | 89.5 | Confident | 102 Ų | 102 | 48.3 Ų | 48.3 | 71% | 0.713 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -80.4 | -20.8 | -177.5 | -34.5 | 0 | 0 | 0 | 0 | 113.4 | E27 | S23-E27 WeakPolarHBondContact CA-OE2 3.44Å; S23-E27 WeakPolarHBondContact CB-OE2 3.4Å; S23-E27 PolarHBondContact N-OE2 3.34Å; S23-E27 PolarHBondContact OG-OE2 2.73Å |
| 24 | S | 81.9 | Confident | 89.3 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -156.6 | 171.1 | 177.6 | 68.2 | 0 | 0 | 0 | 0 | 110.2 | N26 E27 | S24-N26 PolarHBondContact O-N 3.21Å; S24-N26 VanDerWaalsContact O-N 3.16Å; S24-N26 PolarHBondContact OG-N 2.65Å; S24-E27 PolarHBondContact O-N 2.72Å |
| 25 | E | 76 | Confident | 89.3 | Confident | 85 Ų | 85 | 48.8 Ų | 48.8 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.5 | 176.3 | -170.5 | 169.9 | -163.5 | 0 | 0 | 113.8 | E58 R254 | E25-E58 PolarHBondContact N-OE1 2.99Å; E25-R254 IonicContact OE1-CZ 3.4Å; E25-R254 IonicContact OE1-NH1 2.69Å; E25-R254 PolarHBondContact OE1-NH1 3.19Å; E25-R254 IonicContact OE1-NH2 2.71Å; E25-R254 IonicContact OE2-CZ 2.82Å; E25-R254 IonicContact OE2-NH1 2.75Å; E25-R254 PolarHBondContact OE2-NH1 3.14Å; E25-R254 IonicContact OE2-NH2 3.56Å; E25-R254 PolarHBondContact OE2-NH2 3.05Å |
| 26 | N | 79.6 | Confident | 89.1 | Confident | 156 Ų | 156 | 49.2 Ų | 49.2 | 83% | 0.834 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -6.1 | 178.5 | -60.9 | -65.1 | 0 | 0 | 0 | 114.1 | S24 | S24-N26 PolarHBondContact O-N 3.21Å; S24-N26 VanDerWaalsContact O-N 3.16Å; S24-N26 PolarHBondContact OG-N 2.65Å |
| 27 | E | 87.1 | Confident | 88.4 | Confident | 93 Ų | 93 | 57 Ų | 57 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -106 | 134.7 | 178.2 | -69 | -177.1 | 171.3 | 0 | 0 | 110.7 | P22 S23 S24 | P22-E27 HydrophobicContact CB-CB 3.98Å; P22-E27 WeakPolarHBondContact CB-O 3.25Å; S23-E27 WeakPolarHBondContact CA-OE2 3.44Å; S23-E27 WeakPolarHBondContact CB-OE2 3.4Å; S23-E27 PolarHBondContact N-OE2 3.34Å; S23-E27 PolarHBondContact OG-OE2 2.73Å; S24-E27 PolarHBondContact O-N 2.72Å |
| 28 | D | 87.5 | Confident | 87.7 | Confident | 101 Ų | 101 | 62.9 Ų | 62.9 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 138.1 | 172.9 | -93.4 | -20.4 | 0 | 0 | 0 | 111.2 | T30 K50 | D28-T30 PolarHBondContact O-N 2.9Å; D28-K50 WeakPolarHBondContact OD1-CE 3.39Å; D28-K50 IonicContact OD1-NZ 3.56Å; D28-K50 PolarHBondContact OD1-NZ 2.69Å; D28-K50 WeakPolarHBondContact OD2-CE 3.46Å; D28-K50 IonicContact OD2-NZ 3.83Å; D28-K50 PolarHBondContact OD2-NZ 3.18Å |
| 29 | P | 90.1 | Very high | 86.9 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 10% | 0.104 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.7 | 178.9 | -15.8 | 28.4 | 0 | 0 | 0 | 111.1 | V19 A20 P22 P49 F53 | V19-P29 HydrophobicContact CG1-CB 3.82Å; A20-P29 WeakPolarHBondContact O-CB 3.28Å; P22-P29 HydrophobicContact CB-CG 4.45Å; P22-P29 HydrophobicContact CG-CB 4.48Å; P22-P29 HydrophobicContact CG-CG 3.98Å; P29-P49 HydrophobicContact CB-CB 3.88Å; P29-P49 HydrophobicContact CG-CB 4.35Å; P29-P49 WeakPolarHBondContact CG-O 3.21Å; P29-P49 VanDerWaalsContact O-CB 3.25Å; P29-P49 WeakPolarHBondContact O-CB 3.35Å; P29-F53 HydrophobicContact CB-CD2 3.79Å; P29-F53 HydrophobicContact CB-CE2 4.15Å; P29-F53 HydrophobicContact CG-CD2 4.09Å |
| 30 | T | 90.8 | Very high | 85.8 | Confident | 84 Ų | 84 | 69.9 Ų | 69.9 | 52% | 0.515 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.1 | -170 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | V19 A20 D28 L32 | V19-T30 CarbonylContact C-O 3.52Å; V19-T30 WeakPolarHBondContact CA-O 3.11Å; V19-T30 WeakPolarHBondContact CG1-O 3.11Å; A20-T30 PolarHBondContact N-O 3.29Å; A20-T30 PolarHBondContact O-N 3.26Å; D28-T30 PolarHBondContact O-N 2.9Å; T30-L32 PolarHBondContact O-N 3.4Å |
| 31 | V | 92.4 | Very high | 85.3 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 35% | 0.345 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 117.9 | 172.1 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | V17 V19 W33 P49 | V17-V31 HydrophobicContact CB-CG1 4.34Å; V17-V31 HydrophobicContact CG1-CG1 4.3Å; V19-V31 HydrophobicContact CG2-CG2 4.5Å; V31-W33 WeakPolarHBondContact CG1-O 3.33Å; V31-P49 HydrophobicContact CG2-CG 3.68Å |
| 32 | L | 91.1 | Very high | 85.1 | Confident | 98 Ų | 98 | 76.5 Ų | 76.5 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -37.7 | 177.1 | -62 | -179.8 | 0 | 0 | 0 | 112 | Q18 A20 T30 V93 | Q18-L32 HydrophobicContact CG-CB 4.46Å; Q18-L32 HydrophobicContact CG-CD1 4.35Å; Q18-L32 PolarHBondContact O-N 3.05Å; A20-L32 HydrophobicContact CB-CD1 4.09Å; A20-L32 HydrophobicContact CB-CD2 4.02Å; A20-L32 HydrophobicContact CB-CG 4.02Å; T30-L32 PolarHBondContact O-N 3.4Å; L32-V93 HydrophobicContact CD1-CG2 4.4Å |
| 33 | W | 88.9 | Confident | 85 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 21% | 0.208 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 151.9 | -175.3 | 167 | 95.4 | 0 | 0 | 0 | 109.7 | V16 V17 Q18 V31 F35 L126 L130 | V16-W33 HydrophobicContact CB-CH2 4.49Å; V16-W33 HydrophobicContact CB-CZ3 4.36Å; V16-W33 HydrophobicContact CG1-CH2 4.33Å; V16-W33 HydrophobicContact CG1-CZ3 3.94Å; V17-W33 WeakPolarHBondContact CA-O 3.4Å; Q18-W33 HydrophobicContact CB-CB 4.31Å; Q18-W33 HydrophobicContact CB-CE3 3.97Å; Q18-W33 PolarHBondContact N-O 3.49Å; Q18-W33 PolarHBondContact O-N 2.82Å; V31-W33 WeakPolarHBondContact CG1-O 3.33Å; W33-F35 HydrophobicContact CH2-CB 3.56Å; W33-F35 HydrophobicContact CZ2-CB 3.58Å; W33-F35 HydrophobicContact CZ3-CB 4.45Å; W33-L126 HydrophobicContact CH2-CD2 4.09Å; W33-L126 HydrophobicContact CZ2-CD2 3.64Å; W33-L130 HydrophobicContact CH2-CD1 3.53Å; W33-L130 HydrophobicContact CZ2-CD1 3.84Å |
| 34 | S | 92.3 | Very high | 85.3 | Confident | 29 Ų | 29 | 78.8 Ų | 78.8 | 20% | 0.203 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 153.4 | 178 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | V16 | V16-S34 CarbonylContact O-C 3.55Å; V16-S34 VanDerWaalsContact O-CA 3.3Å; V16-S34 WeakPolarHBondContact O-CA 3.47Å |
| 35 | F | 92.1 | Very high | 85.5 | Confident | 13 Ų | 13 | 79.8 Ų | 79.8 | 6% | 0.057 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 129.1 | 174.1 | 179.9 | -76.8 | 0 | 0 | 0 | 110.2 | F13 L15 V16 W33 L130 N131 Y134 | F13-F35 AromaticContact CE2-CD1 3.88Å; F13-F35 HydrophobicContact CE2-CD1 3.88Å; F13-F35 HydrophobicContact CE2-CE1 4.14Å; F13-F35 AromaticContact CZ-CD1 3.82Å; F13-F35 HydrophobicContact CZ-CD1 3.82Å; F13-F35 AromaticContact CZ-CE1 3.74Å; F13-F35 HydrophobicContact CZ-CE1 3.74Å; L15-F35 CarbonylContact C-O 3.53Å; V16-F35 PolarHBondContact N-O 3.41Å; V16-F35 PolarHBondContact O-N 3.46Å; W33-F35 HydrophobicContact CH2-CB 3.56Å; W33-F35 HydrophobicContact CZ2-CB 3.58Å; W33-F35 HydrophobicContact CZ3-CB 4.45Å; F35-L130 HydrophobicContact CB-CD1 4.15Å; F35-L130 HydrophobicContact CD1-CB 3.97Å; F35-L130 HydrophobicContact CD1-CD1 4.47Å; F35-L130 HydrophobicContact CD2-CB 4.07Å; F35-L130 HydrophobicContact CD2-CD1 4.19Å; F35-L130 HydrophobicContact CE1-CB 3.88Å; F35-L130 HydrophobicContact CE2-CB 3.94Å; F35-L130 HydrophobicContact CG-CB 4.1Å; F35-L130 HydrophobicContact CG-CD1 4.01Å; F35-L130 HydrophobicContact CZ-CB 3.86Å; F35-N131 WeakPolarHBondContact CE2-OD1 3.42Å; F35-N131 VanDerWaalsContact CZ-OD1 3.25Å; F35-N131 WeakPolarHBondContact CZ-OD1 3.42Å; F35-Y134 HydrophobicContact CE1-CD1 4.26Å; F35-Y134 HydrophobicContact CE1-CD2 4.34Å; F35-Y134 AromaticContact CE1-CG 3.93Å; F35-Y134 HydrophobicContact CE1-CG 3.93Å |
| 36 | P | 91.3 | Very high | 86.2 | Confident | 9 Ų | 9 | 81.4 Ų | 81.4 | 6% | 0.058 | 42% | 0.421 | C | S | . | . | S | Bend | cis | -75 | 156.8 | -2.1 | 36.6 | -39.9 | 0 | 0 | 0 | 111.4 | D38 H39 Y134 | P36-D38 VanDerWaalsContact C-N 3.3Å; P36-D38 WeakPolarHBondContact CB-OD1 3.49Å; P36-D38 PolarHBondContact O-N 2.8Å; P36-H39 HydrophobicContact CG-CB 4.37Å; P36-H39 PolarHBondContact O-N 3.46Å; P36-Y134 HydrophobicContact CB-CE1 4.45Å; P36-Y134 HydrophobicContact CG-CE1 4.41Å; P36-Y134 HydrophobicContact CG-CE2 4.32Å |
| 37 | Q | 81.6 | Confident | 86.8 | Confident | 164 Ų | 164 | 76.1 Ų | 76.1 | 77% | 0.766 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.9 | -174.3 | -66.8 | -176.6 | 0.5 | 0 | 0 | 113.9 | ||
| 38 | D | 80.6 | Confident | 87.1 | Confident | 127 Ų | 127 | 71.7 Ų | 71.7 | 68% | 0.679 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 15 | 179.3 | 65.1 | -40.8 | 0 | 0 | 0 | 113.3 | P36 T40 | P36-D38 VanDerWaalsContact C-N 3.3Å; P36-D38 WeakPolarHBondContact CB-OD1 3.49Å; P36-D38 PolarHBondContact O-N 2.8Å; D38-T40 WeakPolarHBondContact O-CG2 3.4Å; D38-T40 PolarHBondContact O-N 3.07Å |
| 39 | H | 77.3 | Confident | 87.5 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 21% | 0.213 | 35% | 0.35 | C | S | . | . | trans | -62.5 | 117.6 | -178.8 | -163.9 | 81.3 | 0 | 0 | 0 | 111.9 | L15 P36 | L15-H39 HydrophobicContact CD1-CB 4.07Å; P36-H39 HydrophobicContact CG-CB 4.37Å; P36-H39 PolarHBondContact O-N 3.46Å | ||
| 40 | T | 70.6 | Confident | 87.7 | Confident | 138 Ų | 138 | 68.9 Ų | 68.9 | 85% | 0.847 | 36% | 0.355 | S | S | * | . | trans | -88.6 | -11.6 | -168.4 | 50.4 | 0 | 0 | 0 | 0 | 115.2 | D38 Q42 | D38-T40 WeakPolarHBondContact O-CG2 3.4Å; D38-T40 PolarHBondContact O-N 3.07Å; T40-Q42 PolarHBondContact O-N 2.94Å | ||
| 41 | D | 82.7 | Confident | 87.9 | Confident | 50 Ų | 50 | 65.3 Ų | 65.3 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | trans | -80.7 | 86.8 | -175.3 | -166.2 | -28.7 | 0 | 0 | 0 | 111.2 | E43 V44 L45 R81 | D41-E43 VanDerWaalsContact C-N 3.28Å; D41-E43 PolarHBondContact O-N 3.39Å; D41-E43 PolarHBondContact OD1-N 3.35Å; D41-V44 HydrophobicContact CB-CB 4.04Å; D41-V44 HydrophobicContact CB-CG2 4.27Å; D41-V44 PolarHBondContact O-N 3.05Å; D41-V44 WeakPolarHBondContact OD1-CB 3.45Å; D41-V44 WeakPolarHBondContact OD1-CG2 3.34Å; D41-V44 PolarHBondContact OD1-N 3.19Å; D41-V44 WeakPolarHBondContact OD2-CG2 3.44Å; D41-L45 WeakPolarHBondContact O-CG 3.49Å; D41-L45 PolarHBondContact O-N 3.49Å; D41-L45 VanDerWaalsContact O-N 3.07Å; D41-R81 IonicContact OD2-NH1 3.41Å | ||
| 42 | Q | 83.4 | Confident | 88 | Confident | 139 Ų | 139 | 62.6 Ų | 62.6 | 65% | 0.65 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.2 | -26.9 | -178.8 | -165.9 | 174.5 | 15.1 | 0 | 0 | 112.8 | T40 L45 Q46 | T40-Q42 PolarHBondContact O-N 2.94Å; Q42-L45 PolarHBondContact O-N 2.83Å; Q42-Q46 WeakPolarHBondContact O-CG 3.28Å; Q42-Q46 PolarHBondContact O-N 3.29Å |
| 43 | E | 86.9 | Confident | 88.2 | Confident | 157 Ų | 157 | 58.3 Ų | 58.3 | 73% | 0.734 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.1 | -44.3 | 176 | -64.4 | -176.4 | -175.4 | 0 | 0 | 110.6 | D41 L45 Q46 T47 | D41-E43 VanDerWaalsContact C-N 3.28Å; D41-E43 PolarHBondContact O-N 3.39Å; D41-E43 PolarHBondContact OD1-N 3.35Å; E43-L45 VanDerWaalsContact C-N 3.34Å; E43-L45 PolarHBondContact O-N 3.41Å; E43-Q46 PolarHBondContact O-N 3.16Å; E43-T47 VanDerWaalsContact O-CB 3.28Å; E43-T47 WeakPolarHBondContact O-CB 3.45Å; E43-T47 PolarHBondContact O-N 3.49Å; E43-T47 PolarHBondContact O-OG1 3.12Å |
| 44 | V | 87.2 | Confident | 88.4 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 173 | 167.1 | 0 | 0 | 0 | 0 | 111.4 | L15 D41 Q46 T47 I48 L98 | L15-V44 HydrophobicContact CD2-CG1 3.87Å; D41-V44 HydrophobicContact CB-CB 4.04Å; D41-V44 HydrophobicContact CB-CG2 4.27Å; D41-V44 PolarHBondContact O-N 3.05Å; D41-V44 WeakPolarHBondContact OD1-CB 3.45Å; D41-V44 WeakPolarHBondContact OD1-CG2 3.34Å; D41-V44 PolarHBondContact OD1-N 3.19Å; D41-V44 WeakPolarHBondContact OD2-CG2 3.44Å; V44-Q46 VanDerWaalsContact C-N 3.3Å; V44-Q46 PolarHBondContact O-N 3.36Å; V44-T47 PolarHBondContact O-N 2.91Å; V44-I48 HydrophobicContact CG1-CD1 3.48Å; V44-I48 VanDerWaalsContact CG1-CD1 3.48Å; V44-I48 HydrophobicContact CG1-CG1 3.98Å; V44-I48 WeakPolarHBondContact O-CG1 3.1Å; V44-I48 PolarHBondContact O-N 2.68Å; V44-L98 HydrophobicContact CG1-CD2 4.06Å |
| 45 | L | 86.6 | Confident | 88.4 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -27 | 177 | -71.9 | 169.7 | 0 | 0 | 0 | 113.7 | L15 V17 D41 Q42 E43 P49 | L15-L45 HydrophobicContact CD2-CD2 3.95Å; V17-L45 HydrophobicContact CG1-CD2 4.27Å; D41-L45 WeakPolarHBondContact O-CG 3.49Å; D41-L45 PolarHBondContact O-N 3.49Å; D41-L45 VanDerWaalsContact O-N 3.07Å; Q42-L45 PolarHBondContact O-N 2.83Å; E43-L45 VanDerWaalsContact C-N 3.34Å; E43-L45 PolarHBondContact O-N 3.41Å; L45-P49 WeakPolarHBondContact O-CD 3.42Å; L45-P49 WeakPolarHBondContact O-CG 3.35Å |
| 46 | Q | 89.3 | Confident | 88.4 | Confident | 119 Ų | 119 | 54.2 Ų | 54.2 | 56% | 0.556 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -83 | -29.6 | 170.6 | -70.6 | 177.6 | 18 | 0 | 0 | 112.9 | Q42 E43 V44 K50 | Q42-Q46 WeakPolarHBondContact O-CG 3.28Å; Q42-Q46 PolarHBondContact O-N 3.29Å; E43-Q46 PolarHBondContact O-N 3.16Å; V44-Q46 VanDerWaalsContact C-N 3.3Å; V44-Q46 PolarHBondContact O-N 3.36Å; Q46-K50 WeakPolarHBondContact O-CE 3.35Å |
| 47 | T | 93.1 | Very high | 88.2 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -81 | -49.9 | -174.8 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | E43 V44 P49 K50 F51 L73 | E43-T47 VanDerWaalsContact O-CB 3.28Å; E43-T47 WeakPolarHBondContact O-CB 3.45Å; E43-T47 PolarHBondContact O-N 3.49Å; E43-T47 PolarHBondContact O-OG1 3.12Å; V44-T47 PolarHBondContact O-N 2.91Å; T47-P49 VanDerWaalsContact C-CD 3.49Å; T47-K50 PolarHBondContact O-N 3.17Å; T47-K50 VanDerWaalsContact O-N 3.17Å; T47-F51 HydrophobicContact CG2-CD2 3.71Å; T47-F51 HydrophobicContact CG2-CE2 3.7Å; T47-F51 PolarHBondContact O-N 3.26Å; T47-L73 HydrophobicContact CG2-CD1 4.35Å; T47-L73 HydrophobicContact CG2-CD2 3.94Å |
| 48 | I | 94.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -53.8 | -46.2 | -176.4 | -69.2 | 176.3 | 0 | 0 | 0 | 112.9 | L15 V17 V44 K50 F51 C52 F71 L73 C96 L98 | L15-I48 HydrophobicContact CD2-CD1 3.77Å; V17-I48 HydrophobicContact CG2-CG2 3.57Å; V44-I48 HydrophobicContact CG1-CD1 3.48Å; V44-I48 VanDerWaalsContact CG1-CD1 3.48Å; V44-I48 HydrophobicContact CG1-CG1 3.98Å; V44-I48 WeakPolarHBondContact O-CG1 3.1Å; V44-I48 PolarHBondContact O-N 2.68Å; I48-K50 PolarHBondContact O-N 3.31Å; I48-K50 VanDerWaalsContact O-N 3.15Å; I48-F51 CarbonylContact O-C 3.49Å; I48-F51 WeakPolarHBondContact O-CA 3.24Å; I48-F51 PolarHBondContact O-N 3.38Å; I48-C52 PolarHBondContact O-N 3.03Å; I48-C52 PolarHBondContact O-SG 3.34Å; I48-C52 VanDerWaalsContact O-SG 3.41Å; I48-F71 HydrophobicContact CB-CZ 4.42Å; I48-F71 HydrophobicContact CG1-CZ 4.12Å; I48-F71 HydrophobicContact CG2-CZ 4.08Å; I48-L73 HydrophobicContact CG1-CD1 4.49Å; I48-C96 HydrophobicContact CG2-CB 4.13Å; I48-L98 HydrophobicContact CD1-CB 4.26Å; I48-L98 HydrophobicContact CD1-CD1 4.41Å; I48-L98 HydrophobicContact CD1-CD2 4.24Å |
| 49 | P | 94.5 | Very high | 88.5 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.7 | -38.1 | -178.4 | -28.7 | 37.2 | 0 | 0 | 0 | 113.5 | V19 P29 V31 L45 T47 C52 | V19-P49 HydrophobicContact CG1-CB 3.67Å; V19-P49 HydrophobicContact CG1-CG 4.29Å; P29-P49 HydrophobicContact CB-CB 3.88Å; P29-P49 HydrophobicContact CG-CB 4.35Å; P29-P49 WeakPolarHBondContact CG-O 3.21Å; P29-P49 VanDerWaalsContact O-CB 3.25Å; P29-P49 WeakPolarHBondContact O-CB 3.35Å; V31-P49 HydrophobicContact CG2-CG 3.68Å; L45-P49 WeakPolarHBondContact O-CD 3.42Å; L45-P49 WeakPolarHBondContact O-CG 3.35Å; T47-P49 VanDerWaalsContact C-CD 3.49Å; P49-C52 WeakPolarHBondContact O-CB 3.45Å; P49-C52 PolarHBondContact O-N 3.4Å |
| 50 | K | 94.3 | Very high | 88.7 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 23% | 0.226 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.9 | -25.4 | 179.3 | -47.8 | -172 | -166 | -140.2 | 0 | 112.7 | D28 Q46 T47 I48 P230 H232 | D28-K50 WeakPolarHBondContact OD1-CE 3.39Å; D28-K50 IonicContact OD1-NZ 3.56Å; D28-K50 PolarHBondContact OD1-NZ 2.69Å; D28-K50 WeakPolarHBondContact OD2-CE 3.46Å; D28-K50 IonicContact OD2-NZ 3.83Å; D28-K50 PolarHBondContact OD2-NZ 3.18Å; Q46-K50 WeakPolarHBondContact O-CE 3.35Å; T47-K50 PolarHBondContact O-N 3.17Å; T47-K50 VanDerWaalsContact O-N 3.17Å; I48-K50 PolarHBondContact O-N 3.31Å; I48-K50 VanDerWaalsContact O-N 3.15Å; K50-P230 VanDerWaalsContact O-CB 3.3Å; K50-P230 WeakPolarHBondContact O-CB 3.48Å; K50-H232 WeakPolarHBondContact CB-CE1 3.47Å |
| 51 | F | 95.8 | Very high | 88.6 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -84.9 | -17.3 | 171 | -83.9 | -92.2 | 0 | 0 | 0 | 113.7 | T47 I48 F53 P54 F71 L73 I226 P230 L233 | T47-F51 HydrophobicContact CG2-CD2 3.71Å; T47-F51 HydrophobicContact CG2-CE2 3.7Å; T47-F51 PolarHBondContact O-N 3.26Å; I48-F51 CarbonylContact O-C 3.49Å; I48-F51 WeakPolarHBondContact O-CA 3.24Å; I48-F51 PolarHBondContact O-N 3.38Å; F51-F53 VanDerWaalsContact C-N 3.34Å; F51-P54 WeakPolarHBondContact O-CD 3.4Å; F51-F71 HydrophobicContact CB-CD1 3.74Å; F51-F71 HydrophobicContact CB-CD2 3.9Å; F51-F71 HydrophobicContact CB-CE1 3.72Å; F51-F71 HydrophobicContact CB-CE2 3.91Å; F51-F71 HydrophobicContact CB-CG 3.83Å; F51-F71 HydrophobicContact CB-CZ 3.82Å; F51-F71 HydrophobicContact CD1-CB 3.85Å; F51-F71 AromaticContact CD1-CD2 3.89Å; F51-F71 HydrophobicContact CD1-CD2 3.89Å; F51-F71 AromaticContact CD1-CG 3.9Å; F51-F71 HydrophobicContact CD1-CG 3.9Å; F51-F71 HydrophobicContact CG-CD2 4.04Å; F51-F71 HydrophobicContact CG-CE2 4.3Å; F51-F71 HydrophobicContact CG-CG 4.21Å; F51-L73 HydrophobicContact CD2-CD2 4.01Å; F51-L73 HydrophobicContact CE1-CD2 4.32Å; F51-L73 HydrophobicContact CE2-CD2 3.82Å; F51-L73 HydrophobicContact CG-CD2 4.34Å; F51-L73 HydrophobicContact CZ-CD2 3.97Å; F51-I226 HydrophobicContact CE1-CG2 4.34Å; F51-P230 HydrophobicContact CD1-CG 4.17Å; F51-P230 HydrophobicContact CD2-CG 4.12Å; F51-P230 HydrophobicContact CE1-CG 3.99Å; F51-P230 HydrophobicContact CE2-CG 3.93Å; F51-P230 HydrophobicContact CG-CG 4.25Å; F51-P230 HydrophobicContact CZ-CG 3.87Å; F51-L233 HydrophobicContact CE2-CD1 3.84Å; F51-L233 HydrophobicContact CZ-CD1 3.59Å |
| 52 | C | 95.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.6 | -27.3 | 170.6 | -74 | 0 | 0 | 0 | 0 | 113.3 | V19 I48 P49 P54 C94 C96 | V19-C52 HydrophobicContact CB-CB 4.45Å; V19-C52 HydrophobicContact CG2-CB 4.49Å; I48-C52 PolarHBondContact O-N 3.03Å; I48-C52 PolarHBondContact O-SG 3.34Å; I48-C52 VanDerWaalsContact O-SG 3.41Å; P49-C52 WeakPolarHBondContact O-CB 3.45Å; P49-C52 PolarHBondContact O-N 3.4Å; C52-P54 VanDerWaalsContact C-CD 3.44Å; C52-C94 HydrophobicContact CB-CB 3.67Å; C52-C96 VanDerWaalsContact SG-CB 3.6Å |
| 53 | F | 94.2 | Very high | 86.8 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -125.9 | 63.7 | 178 | -57.3 | -78.6 | 0 | 0 | 0 | 111.6 | V19 A20 C21 P29 F51 F55 L87 C91 C94 | V19-F53 HydrophobicContact CB-CE2 4.09Å; V19-F53 HydrophobicContact CG1-CE2 3.84Å; A20-F53 WeakPolarHBondContact O-CE2 3.41Å; C21-F53 VanDerWaalsContact CA-CZ 3.5Å; C21-F53 HydrophobicContact CB-CD1 4.01Å; C21-F53 HydrophobicContact CB-CE1 3.54Å; C21-F53 HydrophobicContact CB-CE2 4.31Å; C21-F53 HydrophobicContact CB-CZ 3.71Å; C21-F53 VanDerWaalsContact N-CZ 3.34Å; P29-F53 HydrophobicContact CB-CD2 3.79Å; P29-F53 HydrophobicContact CB-CE2 4.15Å; P29-F53 HydrophobicContact CG-CD2 4.09Å; F51-F53 VanDerWaalsContact C-N 3.34Å; F53-F55 HydrophobicContact CB-CE1 4.23Å; F53-F55 HydrophobicContact CB-CZ 4.42Å; F53-F55 HydrophobicContact CD1-CE1 4.18Å; F53-F55 AromaticContact CD1-CZ 3.96Å; F53-F55 HydrophobicContact CD1-CZ 3.96Å; F53-F55 PolarHBondContact O-N 3.32Å; F53-L87 HydrophobicContact CD1-CD2 3.95Å; F53-L87 HydrophobicContact CE1-CD2 3.57Å; F53-L87 HydrophobicContact CZ-CD2 4.44Å; F53-C91 WeakPolarHBondContact CE1-O 3.36Å; F53-C94 HydrophobicContact CE1-CB 4.18Å; F53-C94 HydrophobicContact CE2-CB 4.13Å; F53-C94 HydrophobicContact CZ-CB 3.72Å |
| 54 | P | 94.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -85.9 | 50.6 | -169.7 | 39.1 | -38.6 | 0 | 0 | 0 | 111.9 | F51 C52 F69 L202 V228 P230 | F51-P54 WeakPolarHBondContact O-CD 3.4Å; C52-P54 VanDerWaalsContact C-CD 3.44Å; P54-F69 HydrophobicContact CG-CE2 4.09Å; P54-F69 HydrophobicContact CG-CZ 4.19Å; P54-L202 HydrophobicContact CG-CD1 3.88Å; P54-L202 HydrophobicContact CG-CD2 4.22Å; P54-V228 HydrophobicContact CB-CG1 4.3Å; P54-V228 HydrophobicContact CB-CG2 3.71Å; P54-V228 HydrophobicContact CG-CB 4.39Å; P54-V228 HydrophobicContact CG-CG1 3.92Å; P54-V228 HydrophobicContact CG-CG2 3.56Å; P54-P230 HydrophobicContact CB-CB 3.97Å | ||
| 55 | F | 92.2 | Very high | 84.9 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -150.4 | 168.6 | -176.9 | 54.5 | -90.6 | 0 | 0 | 0 | 110.9 | F53 V57 V60 V65 L87 C91 L202 H248 | F53-F55 HydrophobicContact CB-CE1 4.23Å; F53-F55 HydrophobicContact CB-CZ 4.42Å; F53-F55 HydrophobicContact CD1-CE1 4.18Å; F53-F55 AromaticContact CD1-CZ 3.96Å; F53-F55 HydrophobicContact CD1-CZ 3.96Å; F53-F55 PolarHBondContact O-N 3.32Å; F55-V57 HydrophobicContact CD2-CG2 4.36Å; F55-V57 HydrophobicContact CE2-CG2 4.15Å; F55-V57 PolarHBondContact O-N 2.91Å; F55-V60 HydrophobicContact CD2-CB 4.07Å; F55-V60 HydrophobicContact CD2-CG1 4.13Å; F55-V60 HydrophobicContact CD2-CG2 4.29Å; F55-V60 HydrophobicContact CE2-CG1 4.44Å; F55-V65 HydrophobicContact CD1-CG1 4Å; F55-V65 HydrophobicContact CE1-CG1 3.77Å; F55-V65 HydrophobicContact CE2-CG2 4.44Å; F55-V65 HydrophobicContact CZ-CG1 4.25Å; F55-V65 HydrophobicContact CZ-CG2 4.36Å; F55-L87 HydrophobicContact CE1-CD1 4.38Å; F55-C91 HydrophobicContact CZ-CB 4.43Å; F55-L202 HydrophobicContact CD1-CD1 3.97Å; F55-L202 HydrophobicContact CE1-CD1 4.2Å; F55-H248 HydrophobicContact CB-CB 4.06Å; F55-H248 WeakPolarHBondContact CB-ND1 3.33Å |
| 56 | D | 90.9 | Very high | 84 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | -78.3 | 106.3 | 174.9 | -173.9 | -45.9 | 0 | 0 | 0 | 108.5 | E58 R59 V60 S250 L251 R254 | D56-E58 VanDerWaalsContact C-N 3.25Å; D56-E58 PolarHBondContact O-N 3.17Å; D56-E58 PolarHBondContact OD1-N 3.49Å; D56-R59 HydrophobicContact CB-CB 4.1Å; D56-R59 HydrophobicContact CB-CG 4.4Å; D56-R59 VanDerWaalsContact CG-CG 3.48Å; D56-R59 PolarHBondContact O-N 3.32Å; D56-R59 WeakPolarHBondContact OD1-CB 3.3Å; D56-R59 WeakPolarHBondContact OD1-CG 3.28Å; D56-R59 PolarHBondContact OD1-N 2.96Å; D56-R59 WeakPolarHBondContact OD2-CD 3.49Å; D56-R59 WeakPolarHBondContact OD2-CG 3.34Å; D56-R59 IonicContact OD2-NE 2.72Å; D56-R59 PolarHBondContact OD2-NE 3.18Å; D56-V60 VanDerWaalsContact O-CB 3.24Å; D56-V60 WeakPolarHBondContact O-CB 3.39Å; D56-V60 WeakPolarHBondContact O-CG2 3.39Å; D56-V60 PolarHBondContact O-N 3.07Å; D56-S250 VanDerWaalsContact CB-OG 3.28Å; D56-S250 WeakPolarHBondContact CB-OG 3.4Å; D56-S250 PolarHBondContact N-OG 2.9Å; D56-S250 VanDerWaalsContact N-OG 3.16Å; D56-L251 HydrophobicContact CB-CD2 3.89Å; D56-R254 IonicContact OD2-CZ 3.21Å; D56-R254 IonicContact OD2-NE 3.34Å; D56-R254 PolarHBondContact OD2-NE 2.9Å; D56-R254 IonicContact OD2-NH2 2.7Å; D56-R254 PolarHBondContact OD2-NH2 3.18Å | ||
| 57 | V | 87.4 | Confident | 83.8 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 26% | 0.261 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.9 | -173.4 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | P22 F55 | P22-V57 HydrophobicContact CG-CG2 4.25Å; F55-V57 HydrophobicContact CD2-CG2 4.36Å; F55-V57 HydrophobicContact CE2-CG2 4.15Å; F55-V57 PolarHBondContact O-N 2.91Å |
| 58 | E | 85.4 | Confident | 83.8 | Confident | 130 Ų | 130 | 44.4 Ų | 44.4 | 61% | 0.607 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -35.9 | -177.8 | -62.1 | 178 | -162.2 | 0 | 0 | 111.9 | E25 D56 | E25-E58 PolarHBondContact N-OE1 2.99Å; D56-E58 VanDerWaalsContact C-N 3.25Å; D56-E58 PolarHBondContact O-N 3.17Å; D56-E58 PolarHBondContact OD1-N 3.49Å |
| 59 | R | 83.4 | Confident | 84 | Confident | 137 Ų | 137 | 44.3 Ų | 44.3 | 52% | 0.517 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -12.3 | -179.4 | -66 | -177.3 | -178.9 | -153.5 | -8.5 | 115 | D56 E253 | D56-R59 HydrophobicContact CB-CB 4.1Å; D56-R59 HydrophobicContact CB-CG 4.4Å; D56-R59 VanDerWaalsContact CG-CG 3.48Å; D56-R59 PolarHBondContact O-N 3.32Å; D56-R59 WeakPolarHBondContact OD1-CB 3.3Å; D56-R59 WeakPolarHBondContact OD1-CG 3.28Å; D56-R59 PolarHBondContact OD1-N 2.96Å; D56-R59 WeakPolarHBondContact OD2-CD 3.49Å; D56-R59 WeakPolarHBondContact OD2-CG 3.34Å; D56-R59 IonicContact OD2-NE 2.72Å; D56-R59 PolarHBondContact OD2-NE 3.18Å; R59-E253 IonicContact CZ-OE2 3.87Å; R59-E253 IonicContact NH1-OE2 3.62Å; R59-E253 PolarHBondContact NH1-OE2 3.12Å; R59-E253 IonicContact NH2-OE2 3.55Å; R59-E253 PolarHBondContact NH2-OE2 3.1Å; R59-E253 VanDerWaalsContact NH2-OE2 3.12Å |
| 60 | V | 80.4 | Confident | 84.1 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -109.9 | 120.5 | -165.6 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | F55 D56 Q62 V65 S250 | F55-V60 HydrophobicContact CD2-CB 4.07Å; F55-V60 HydrophobicContact CD2-CG1 4.13Å; F55-V60 HydrophobicContact CD2-CG2 4.29Å; F55-V60 HydrophobicContact CE2-CG1 4.44Å; D56-V60 VanDerWaalsContact O-CB 3.24Å; D56-V60 WeakPolarHBondContact O-CB 3.39Å; D56-V60 WeakPolarHBondContact O-CG2 3.39Å; D56-V60 PolarHBondContact O-N 3.07Å; V60-Q62 PolarHBondContact O-N 3.3Å; V60-V65 HydrophobicContact CG1-CG2 3.46Å; V60-V65 VanDerWaalsContact CG1-CG2 3.46Å; V60-S250 VanDerWaalsContact CG2-CB 3.41Å |
| 61 | S | 68.1 | Low | 84.3 | Confident | 58 Ų | 58 | 41.6 Ų | 41.6 | 41% | 0.406 | 21% | 0.211 | S | C | . | . | trans | -71.6 | 131.4 | 175.6 | 77.1 | 0 | 0 | 0 | 0 | 110.9 | N63 Q64 | S61-N63 PolarHBondContact O-N 3.01Å; S61-Q64 PolarHBondContact O-N 3.16Å; S61-Q64 VanDerWaalsContact O-N 3.07Å; S61-Q64 WeakPolarHBondContact OG-CG 3.34Å; S61-Q64 PolarHBondContact OG-OE1 3.26Å | ||
| 62 | Q | 66.1 | Low | 84.4 | Confident | 100 Ų | 100 | 41.3 Ų | 41.3 | 47% | 0.467 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -3.7 | -166.5 | -67.7 | 177.8 | -10.5 | 0 | 0 | 116.2 | V60 G90 C91 | V60-Q62 PolarHBondContact O-N 3.3Å; Q62-G90 WeakPolarHBondContact CB-O 3.45Å; Q62-G90 VanDerWaalsContact CG-O 3.31Å; Q62-G90 WeakPolarHBondContact CG-O 3.41Å; Q62-G90 PolarHBondContact OE1-O 3.11Å; Q62-G90 VanDerWaalsContact OE1-O 3.11Å; Q62-C91 HydrophobicContact CB-CB 4.35Å; Q62-C91 HydrophobicContact CG-CB 4.43Å; Q62-C91 PolarHBondContact O-SG 3.36Å |
| 63 | N | 62.3 | Low | 84.5 | Confident | 148 Ų | 148 | 42.6 Ų | 42.6 | 79% | 0.791 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -8.5 | -179.4 | -66.4 | -7 | 0 | 0 | 0 | 113.5 | S61 | S61-N63 PolarHBondContact O-N 3.01Š|
| 64 | Q | 64.4 | Low | 84.5 | Confident | 106 Ų | 106 | 45.3 Ų | 45.3 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -94.4 | -19.3 | -170.7 | -73.6 | 173.3 | -25.9 | 0 | 0 | 114.6 | S61 G66 R200 | S61-Q64 PolarHBondContact O-N 3.16Å; S61-Q64 VanDerWaalsContact O-N 3.07Å; S61-Q64 WeakPolarHBondContact OG-CG 3.34Å; S61-Q64 PolarHBondContact OG-OE1 3.26Å; Q64-G66 VanDerWaalsContact C-N 3.34Å; Q64-G66 PolarHBondContact O-N 3.15Å; Q64-R200 VanDerWaalsContact O-O 3.12Å |
| 65 | V | 70.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -70.9 | -22.8 | -164.4 | -169.5 | 0 | 0 | 0 | 0 | 114.2 | F55 V60 L87 C91 K201 L202 | F55-V65 HydrophobicContact CD1-CG1 4Å; F55-V65 HydrophobicContact CE1-CG1 3.77Å; F55-V65 HydrophobicContact CE2-CG2 4.44Å; F55-V65 HydrophobicContact CZ-CG1 4.25Å; F55-V65 HydrophobicContact CZ-CG2 4.36Å; V60-V65 HydrophobicContact CG1-CG2 3.46Å; V60-V65 VanDerWaalsContact CG1-CG2 3.46Å; V65-L87 HydrophobicContact CB-CD1 4.34Å; V65-L87 HydrophobicContact CG1-CD1 3.63Å; V65-C91 VanDerWaalsContact CG2-SG 3.59Å; V65-K201 CarbonylContact O-C 3.54Å; V65-K201 WeakPolarHBondContact O-CA 3.48Å; V65-L202 HydrophobicContact CG1-CB 4.47Å; V65-L202 HydrophobicContact CG1-CD1 3.46Å; V65-L202 VanDerWaalsContact CG1-CD1 3.46Å; V65-L202 HydrophobicContact CG1-CG 3.57Å; V65-L202 PolarHBondContact O-N 3.49Å |
| 66 | G | 69 | Low | 84.5 | Confident | 25 Ų | 25 | 54.4 Ų | 54.4 | 26% | 0.258 | 28% | 0.281 | S | S | . | . | trans | 81.6 | 147.7 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q64 | Q64-G66 VanDerWaalsContact C-N 3.34Å; Q64-G66 PolarHBondContact O-N 3.15Å | ||
| 67 | Q | 84.7 | Confident | 84.6 | Confident | 71 Ų | 71 | 60 Ų | 60 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -78.1 | -49.2 | -170.4 | -66.9 | 176.4 | -0.7 | 0 | 0 | 113.3 | R86 L87 | Q67-R86 CarbonylContact O-C 3.52Å; Q67-R86 WeakPolarHBondContact O-CA 3.31Å; Q67-L87 PolarHBondContact O-N 2.92Å |
| 68 | N | 93.6 | Very high | 84.9 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.4 | -170.4 | -73.9 | 10.2 | 0 | 0 | 0 | 111.3 | C85 R86 Y108 S203 | N68-C85 VanDerWaalsContact CA-O 3.32Å; N68-C85 WeakPolarHBondContact CA-O 3.47Å; N68-R86 WeakPolarHBondContact OD1-CG 3.37Å; N68-Y108 HydrophobicContact CB-CD1 3.72Å; N68-Y108 HydrophobicContact CB-CE1 3.72Å; N68-Y108 HydrophobicContact CB-CG 4.32Å; N68-S203 WeakPolarHBondContact O-CA 3.46Å; N68-S203 WeakPolarHBondContact O-CB 3.16Å |
| 69 | F | 96.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 167.7 | 175.3 | 71.7 | -87.6 | 0 | 0 | 0 | 111.3 | P54 F71 C85 L87 Y108 L202 T206 V228 | P54-F69 HydrophobicContact CG-CE2 4.09Å; P54-F69 HydrophobicContact CG-CZ 4.19Å; F69-F71 HydrophobicContact CE2-CD1 4.15Å; F69-C85 HydrophobicContact CD1-CB 3.67Å; F69-C85 HydrophobicContact CD2-CB 4.11Å; F69-C85 HydrophobicContact CE1-CB 3.4Å; F69-C85 VanDerWaalsContact CE1-CB 3.4Å; F69-C85 HydrophobicContact CE2-CB 3.88Å; F69-C85 HydrophobicContact CG-CB 4.02Å; F69-C85 HydrophobicContact CZ-CB 3.52Å; F69-C85 PolarHBondContact N-O 3.22Å; F69-C85 VanDerWaalsContact N-O 3.12Å; F69-C85 PolarHBondContact O-N 2.99Å; F69-L87 HydrophobicContact CD1-CD1 4.27Å; F69-L87 HydrophobicContact CE1-CD1 3.81Å; F69-L87 HydrophobicContact CE1-CG 4.03Å; F69-Y108 VanDerWaalsContact C-OH 3.24Å; F69-Y108 WeakPolarHBondContact CA-OH 3.25Å; F69-L202 HydrophobicContact CB-CB 3.75Å; F69-L202 HydrophobicContact CD1-CB 3.9Å; F69-L202 HydrophobicContact CD1-CD1 3.76Å; F69-L202 HydrophobicContact CD2-CB 4.41Å; F69-L202 HydrophobicContact CD2-CD1 4.44Å; F69-L202 HydrophobicContact CE1-CD1 3.62Å; F69-L202 HydrophobicContact CE2-CD1 4.32Å; F69-L202 HydrophobicContact CG-CB 3.79Å; F69-L202 HydrophobicContact CG-CD1 4.18Å; F69-L202 HydrophobicContact CZ-CD1 3.92Å; F69-T206 HydrophobicContact CB-CG2 4.12Å; F69-T206 WeakPolarHBondContact CB-OG1 3.43Å; F69-T206 HydrophobicContact CD2-CG2 4.22Å; F69-V228 HydrophobicContact CD2-CG1 4.1Å; F69-V228 HydrophobicContact CE2-CG1 4.05Å |
| 70 | T | 98.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 120.7 | 174 | -61 | 0 | 0 | 0 | 0 | 111 | F82 G83 F84 F104 Y108 T206 P227 | T70-F82 HydrophobicContact CG2-CB 3.92Å; T70-F82 HydrophobicContact CG2-CD1 4.01Å; T70-F82 HydrophobicContact CG2-CG 4.48Å; T70-G83 WeakPolarHBondContact CA-O 3.49Å; T70-F84 HydrophobicContact CG2-CD1 4.04Å; T70-F84 HydrophobicContact CG2-CE1 4.07Å; T70-F84 VanDerWaalsContact OG1-CD1 3.28Å; T70-F84 WeakPolarHBondContact OG1-CD1 3.33Å; T70-F104 HydrophobicContact CG2-CD1 4.35Å; T70-F104 HydrophobicContact CG2-CE1 3.77Å; T70-F104 WeakPolarHBondContact OG1-CD1 3.41Å; T70-Y108 PolarHBondContact N-OH 3.31Å; T70-Y108 PolarHBondContact OG1-OH 3.06Å; T70-T206 PolarHBondContact N-OG1 3.32Å; T70-T206 WeakPolarHBondContact O-CB 3.18Å; T70-T206 WeakPolarHBondContact O-CG2 3.28Å; T70-P227 WeakPolarHBondContact O-CB 3.41Å |
| 71 | F | 97.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 166.3 | 164.7 | 67.5 | -100.7 | 0 | 0 | 0 | 110.7 | I48 F51 F69 L73 G83 C85 C96 L98 V228 | I48-F71 HydrophobicContact CB-CZ 4.42Å; I48-F71 HydrophobicContact CG1-CZ 4.12Å; I48-F71 HydrophobicContact CG2-CZ 4.08Å; F51-F71 HydrophobicContact CB-CD1 3.74Å; F51-F71 HydrophobicContact CB-CD2 3.9Å; F51-F71 HydrophobicContact CB-CE1 3.72Å; F51-F71 HydrophobicContact CB-CE2 3.91Å; F51-F71 HydrophobicContact CB-CG 3.83Å; F51-F71 HydrophobicContact CB-CZ 3.82Å; F51-F71 HydrophobicContact CD1-CB 3.85Å; F51-F71 AromaticContact CD1-CD2 3.89Å; F51-F71 HydrophobicContact CD1-CD2 3.89Å; F51-F71 AromaticContact CD1-CG 3.9Å; F51-F71 HydrophobicContact CD1-CG 3.9Å; F51-F71 HydrophobicContact CG-CD2 4.04Å; F51-F71 HydrophobicContact CG-CE2 4.3Å; F51-F71 HydrophobicContact CG-CG 4.21Å; F69-F71 HydrophobicContact CE2-CD1 4.15Å; F71-L73 HydrophobicContact CD2-CD2 4.09Å; F71-L73 HydrophobicContact CD2-CG 4.13Å; F71-L73 HydrophobicContact CE2-CD1 4.16Å; F71-L73 HydrophobicContact CE2-CD2 4Å; F71-L73 HydrophobicContact CE2-CG 3.82Å; F71-G83 WeakPolarHBondContact CD1-O 3.3Å; F71-G83 PolarHBondContact N-O 3.17Å; F71-G83 VanDerWaalsContact N-O 3.07Å; F71-G83 PolarHBondContact O-N 3.29Å; F71-C85 VanDerWaalsContact CD1-SG 3.57Å; F71-C85 WeakPolarHBondContact CE1-SG 3.41Å; F71-C96 VanDerWaalsContact CE1-SG 3.6Å; F71-L98 HydrophobicContact CE2-CD1 4.4Å; F71-V228 HydrophobicContact CB-CG1 3.81Å |
| 72 | V | 98.2 | Very high | 88.1 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.7 | 172.8 | 166.3 | 0 | 0 | 0 | 0 | 109.9 | Q80 R81 F82 F225 P227 | V72-Q80 HydrophobicContact CG1-CB 3.7Å; V72-Q80 HydrophobicContact CG1-CG 3.77Å; V72-R81 CarbonylContact C-O 3.53Å; V72-R81 VanDerWaalsContact CA-O 3.31Å; V72-R81 WeakPolarHBondContact CA-O 3.38Å; V72-F82 HydrophobicContact CG2-CD1 3.48Å; V72-F82 VanDerWaalsContact CG2-CD1 3.48Å; V72-F82 HydrophobicContact CG2-CE1 3.7Å; V72-F82 HydrophobicContact CG2-CG 4.26Å; V72-F225 HydrophobicContact CG1-CD1 4.41Å; V72-F225 HydrophobicContact CG2-CE1 4.31Å; V72-P227 HydrophobicContact CB-CG 4.02Å; V72-P227 HydrophobicContact CG2-CG 3.93Å |
| 73 | L | 96.6 | Very high | 89.6 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 136.4 | 162.5 | -52.6 | 179.2 | 0 | 0 | 0 | 108 | T47 I48 F51 F71 R81 L98 | T47-L73 HydrophobicContact CG2-CD1 4.35Å; T47-L73 HydrophobicContact CG2-CD2 3.94Å; I48-L73 HydrophobicContact CG1-CD1 4.49Å; F51-L73 HydrophobicContact CD2-CD2 4.01Å; F51-L73 HydrophobicContact CE1-CD2 4.32Å; F51-L73 HydrophobicContact CE2-CD2 3.82Å; F51-L73 HydrophobicContact CG-CD2 4.34Å; F51-L73 HydrophobicContact CZ-CD2 3.97Å; F71-L73 HydrophobicContact CD2-CD2 4.09Å; F71-L73 HydrophobicContact CD2-CG 4.13Å; F71-L73 HydrophobicContact CE2-CD1 4.16Å; F71-L73 HydrophobicContact CE2-CD2 4Å; F71-L73 HydrophobicContact CE2-CG 3.82Å; L73-R81 HydrophobicContact CB-CB 4.44Å; L73-R81 PolarHBondContact N-O 3.3Å; L73-R81 PolarHBondContact O-N 2.87Å; L73-L98 HydrophobicContact CD1-CD1 4.22Å |
| 74 | T | 95.5 | Very high | 91.3 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 40% | 0.399 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.8 | 175.6 | -64.4 | 0 | 0 | 0 | 0 | 108.9 | R4 K79 | R4-T74 PolarHBondContact NH2-OG1 2.95Å; T74-K79 WeakPolarHBondContact CA-O 3.47Å |
| 75 | D | 93.7 | Very high | 92.9 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 14% | 0.144 | 18% | 0.18 | C | C | . | . | trans | -87.6 | 179.1 | 175.6 | 72.8 | 17.4 | 0 | 0 | 0 | 113.1 | D77 S78 K79 Y100 | D75-D77 PolarHBondContact O-N 2.87Å; D75-D77 PolarHBondContact OD1-N 2.81Å; D75-S78 VanDerWaalsContact O-CA 3.31Å; D75-S78 WeakPolarHBondContact O-CA 3.3Å; D75-S78 PolarHBondContact O-N 2.93Å; D75-S78 PolarHBondContact OD1-N 2.83Å; D75-K79 PolarHBondContact N-O 3.15Å; D75-K79 WeakPolarHBondContact OD1-CA 3.43Å; D75-K79 VanDerWaalsContact OD1-CB 3.32Å; D75-K79 WeakPolarHBondContact OD1-CB 3.46Å; D75-K79 PolarHBondContact OD1-N 3.41Å; D75-Y100 WeakPolarHBondContact OD2-CE1 3.5Å; D75-Y100 VanDerWaalsContact OD2-CZ 3.3Å; D75-Y100 PolarHBondContact OD2-OH 3.15Å | ||
| 76 | I | 92.5 | Very high | 94.1 | Very high | 171 Ų | 171 | 35.1 Ų | 35.1 | 88% | 0.877 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26 | -176.5 | 66 | 174.7 | 0 | 0 | 0 | 113.8 | S78 | I76-S78 PolarHBondContact O-N 3.45Š|
| 77 | D | 92.2 | Very high | 95.2 | Very high | 123 Ų | 123 | 34 Ų | 34 | 66% | 0.658 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | 10.7 | 174.6 | -72.9 | -39.1 | 0 | 0 | 0 | 111.9 | D75 K79 | D75-D77 PolarHBondContact O-N 2.87Å; D75-D77 PolarHBondContact OD1-N 2.81Å; D77-K79 HydrophobicContact CB-CG 3.92Å; D77-K79 PolarHBondContact O-N 2.85Å |
| 78 | S | 93.1 | Very high | 95.2 | Very high | 61 Ų | 61 | 32.5 Ų | 32.5 | 43% | 0.427 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 58.9 | 19.7 | -170.9 | -58.3 | 0 | 0 | 0 | 0 | 114.3 | R4 D75 I76 | R4-S78 PolarHBondContact NE-O 3.28Å; R4-S78 PolarHBondContact NH2-O 2.88Å; D75-S78 VanDerWaalsContact O-CA 3.31Å; D75-S78 WeakPolarHBondContact O-CA 3.3Å; D75-S78 PolarHBondContact O-N 2.93Å; D75-S78 PolarHBondContact OD1-N 2.83Å; I76-S78 PolarHBondContact O-N 3.45Å |
| 79 | K | 95.1 | Very high | 94.4 | Very high | 32 Ų | 32 | 38.9 Ų | 38.9 | 14% | 0.139 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -82.7 | 155.5 | 178.2 | -58.4 | -63.1 | -167.8 | 162.7 | 0 | 111.3 | S3 R4 I5 T74 D75 D77 Y100 | S3-K79 PolarHBondContact O-NZ 2.86Å; R4-K79 VanDerWaalsContact O-CA 3.26Å; R4-K79 WeakPolarHBondContact O-CA 3.44Å; R4-K79 WeakPolarHBondContact O-CD 3.07Å; I5-K79 PolarHBondContact O-NZ 2.85Å; T74-K79 WeakPolarHBondContact CA-O 3.47Å; D75-K79 PolarHBondContact N-O 3.15Å; D75-K79 WeakPolarHBondContact OD1-CA 3.43Å; D75-K79 VanDerWaalsContact OD1-CB 3.32Å; D75-K79 WeakPolarHBondContact OD1-CB 3.46Å; D75-K79 PolarHBondContact OD1-N 3.41Å; D77-K79 HydrophobicContact CB-CG 3.92Å; D77-K79 PolarHBondContact O-N 2.85Å; K79-Y100 HydrophobicContact CB-CE1 4.2Å |
| 80 | Q | 96.4 | Very high | 93.3 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 9% | 0.093 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.6 | -173.8 | -62.2 | -179.7 | -20.3 | 0 | 0 | 111.1 | R4 V72 F82 Y100 | R4-Q80 HydrophobicContact CB-CG 4.14Å; R4-Q80 PolarHBondContact O-N 3.42Å; V72-Q80 HydrophobicContact CG1-CB 3.7Å; V72-Q80 HydrophobicContact CG1-CG 3.77Å; Q80-F82 HydrophobicContact CB-CE1 4.41Å; Q80-F82 HydrophobicContact CB-CE2 3.89Å; Q80-F82 HydrophobicContact CB-CZ 3.76Å; Q80-Y100 WeakPolarHBondContact O-CD1 3.46Å |
| 81 | R | 96.1 | Very high | 92.4 | Very high | 59 Ų | 59 | 40 Ų | 40 | 22% | 0.223 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.2 | 159.9 | -60.6 | -175.3 | -168.7 | 172.1 | 3 | 107.9 | D41 V72 L73 L98 Y100 | D41-R81 IonicContact OD2-NH1 3.41Å; V72-R81 CarbonylContact C-O 3.53Å; V72-R81 VanDerWaalsContact CA-O 3.31Å; V72-R81 WeakPolarHBondContact CA-O 3.38Å; L73-R81 HydrophobicContact CB-CB 4.44Å; L73-R81 PolarHBondContact N-O 3.3Å; L73-R81 PolarHBondContact O-N 2.87Å; R81-L98 HydrophobicContact CB-CD1 3.99Å; R81-L98 HydrophobicContact CB-CG 4.27Å; R81-Y100 HydrophobicContact CG-CD1 3.92Å; R81-Y100 HydrophobicContact CG-CD2 4.17Å; R81-Y100 HydrophobicContact CG-CE1 3.54Å; R81-Y100 HydrophobicContact CG-CE2 3.81Å; R81-Y100 HydrophobicContact CG-CG 4.25Å; R81-Y100 PolarHBondContact NE-OH 2.79Å; R81-Y100 PolarHBondContact NH2-OH 2.92Å |
| 82 | F | 98.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.7 | -178.9 | -59.7 | -89.7 | 0 | 0 | 0 | 110 | I5 T70 V72 Q80 F84 L98 S99 P102 F104 H210 | I5-F82 HydrophobicContact CD1-CE2 3.84Å; I5-F82 HydrophobicContact CD1-CZ 3.56Å; T70-F82 HydrophobicContact CG2-CB 3.92Å; T70-F82 HydrophobicContact CG2-CD1 4.01Å; T70-F82 HydrophobicContact CG2-CG 4.48Å; V72-F82 HydrophobicContact CG2-CD1 3.48Å; V72-F82 VanDerWaalsContact CG2-CD1 3.48Å; V72-F82 HydrophobicContact CG2-CE1 3.7Å; V72-F82 HydrophobicContact CG2-CG 4.26Å; Q80-F82 HydrophobicContact CB-CE1 4.41Å; Q80-F82 HydrophobicContact CB-CE2 3.89Å; Q80-F82 HydrophobicContact CB-CZ 3.76Å; F82-F84 HydrophobicContact CB-CD2 4.12Å; F82-F84 HydrophobicContact CB-CE1 4.14Å; F82-F84 HydrophobicContact CB-CE2 3.39Å; F82-F84 HydrophobicContact CB-CZ 3.39Å; F82-F84 HydrophobicContact CG-CE2 4.38Å; F82-F84 HydrophobicContact CG-CZ 4Å; F82-L98 WeakPolarHBondContact O-CA 3.34Å; F82-S99 WeakPolarHBondContact CB-O 3.44Å; F82-S99 PolarHBondContact N-O 2.84Å; F82-S99 PolarHBondContact O-N 2.75Å; F82-P102 HydrophobicContact CD2-CB 4.39Å; F82-P102 HydrophobicContact CE1-CB 4.44Å; F82-P102 HydrophobicContact CE2-CB 3.89Å; F82-P102 HydrophobicContact CZ-CB 3.93Å; F82-F104 HydrophobicContact CD1-CE1 4.38Å; F82-F104 AromaticContact CD1-CZ 3.98Å; F82-F104 HydrophobicContact CD1-CZ 3.98Å; F82-F104 HydrophobicContact CE1-CZ 4.01Å; F82-H210 AromaticContact CE1-CE1 3.79Å |
| 83 | G | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 90.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T70 F71 C85 | T70-G83 WeakPolarHBondContact CA-O 3.49Å; F71-G83 WeakPolarHBondContact CD1-O 3.3Å; F71-G83 PolarHBondContact N-O 3.17Å; F71-G83 VanDerWaalsContact N-O 3.07Å; F71-G83 PolarHBondContact O-N 3.29Å; G83-C85 PolarHBondContact O-N 2.77Å |
| 84 | F | 98.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 115.6 | 177.8 | -56.6 | -84 | 0 | 0 | 0 | 109.2 | T70 F82 C96 L97 L101 F104 Y107 L111 | T70-F84 HydrophobicContact CG2-CD1 4.04Å; T70-F84 HydrophobicContact CG2-CE1 4.07Å; T70-F84 VanDerWaalsContact OG1-CD1 3.28Å; T70-F84 WeakPolarHBondContact OG1-CD1 3.33Å; F82-F84 HydrophobicContact CB-CD2 4.12Å; F82-F84 HydrophobicContact CB-CE1 4.14Å; F82-F84 HydrophobicContact CB-CE2 3.39Å; F82-F84 HydrophobicContact CB-CZ 3.39Å; F82-F84 HydrophobicContact CG-CE2 4.38Å; F82-F84 HydrophobicContact CG-CZ 4Å; F84-C96 CarbonylContact O-C 3.59Å; F84-C96 VanDerWaalsContact O-CA 3.29Å; F84-C96 WeakPolarHBondContact O-CA 3.29Å; F84-L97 HydrophobicContact CD2-CD2 3.89Å; F84-L97 PolarHBondContact N-O 3.22Å; F84-L97 PolarHBondContact O-N 2.88Å; F84-L101 WeakPolarHBondContact CZ-O 3.37Å; F84-F104 HydrophobicContact CD1-CD1 4.19Å; F84-F104 HydrophobicContact CE1-CB 4.27Å; F84-F104 AromaticContact CE1-CD1 3.6Å; F84-F104 HydrophobicContact CE1-CD1 3.6Å; F84-F104 HydrophobicContact CE1-CE1 4Å; F84-F104 AromaticContact CE1-CG 3.89Å; F84-F104 HydrophobicContact CE1-CG 3.89Å; F84-Y107 HydrophobicContact CD1-CD2 4.28Å; F84-Y107 AromaticContact CD2-CD2 3.52Å; F84-Y107 HydrophobicContact CD2-CD2 3.52Å; F84-Y107 HydrophobicContact CD2-CE2 4.25Å; F84-Y107 AromaticContact CD2-CG 3.88Å; F84-Y107 HydrophobicContact CD2-CG 3.88Å; F84-Y107 HydrophobicContact CE1-CD2 4.08Å; F84-Y107 AromaticContact CE2-CD2 3.26Å; F84-Y107 HydrophobicContact CE2-CD2 3.26Å; F84-Y107 AromaticContact CE2-CE2 3.7Å; F84-Y107 HydrophobicContact CE2-CE2 3.7Å; F84-Y107 HydrophobicContact CE2-CG 4.1Å; F84-Y107 HydrophobicContact CG-CD2 4.04Å; F84-Y107 HydrophobicContact CG-CG 4.17Å; F84-Y107 AromaticContact CZ-CD2 3.58Å; F84-Y107 HydrophobicContact CZ-CD2 3.58Å; F84-Y107 HydrophobicContact CZ-CE2 4.13Å; F84-L111 HydrophobicContact CB-CD1 3.76Å; F84-L111 VanDerWaalsContact O-CD1 3.29Å; F84-L111 WeakPolarHBondContact O-CD1 3.44Å |
| 85 | C | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 144 | -173.1 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | N68 F69 F71 G83 I95 | N68-C85 VanDerWaalsContact CA-O 3.32Å; N68-C85 WeakPolarHBondContact CA-O 3.47Å; F69-C85 HydrophobicContact CD1-CB 3.67Å; F69-C85 HydrophobicContact CD2-CB 4.11Å; F69-C85 HydrophobicContact CE1-CB 3.4Å; F69-C85 VanDerWaalsContact CE1-CB 3.4Å; F69-C85 HydrophobicContact CE2-CB 3.88Å; F69-C85 HydrophobicContact CG-CB 4.02Å; F69-C85 HydrophobicContact CZ-CB 3.52Å; F69-C85 PolarHBondContact N-O 3.22Å; F69-C85 VanDerWaalsContact N-O 3.12Å; F69-C85 PolarHBondContact O-N 2.99Å; F71-C85 VanDerWaalsContact CD1-SG 3.57Å; F71-C85 WeakPolarHBondContact CE1-SG 3.41Å; G83-C85 PolarHBondContact O-N 2.77Å; C85-I95 CarbonylContact C-O 3.58Å; C85-I95 WeakPolarHBondContact CA-O 3.41Å |
| 86 | R | 95 | Very high | 91.4 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 16% | 0.158 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 109.7 | 165.9 | 179.6 | -178.1 | -172.3 | -81.7 | 19.5 | 109.9 | Q67 N68 C94 I95 L111 N112 | Q67-R86 CarbonylContact O-C 3.52Å; Q67-R86 WeakPolarHBondContact O-CA 3.31Å; N68-R86 WeakPolarHBondContact OD1-CG 3.37Å; R86-C94 WeakPolarHBondContact O-CA 3.49Å; R86-I95 PolarHBondContact N-O 3.37Å; R86-I95 PolarHBondContact O-N 3.32Å; R86-L111 HydrophobicContact CB-CB 4Å; R86-L111 HydrophobicContact CB-CD1 4.49Å; R86-L111 VanDerWaalsContact CD-O 3.29Å; R86-L111 WeakPolarHBondContact CD-O 3.34Å; R86-N112 WeakPolarHBondContact CD-OD1 3.44Å; R86-N112 PolarHBondContact NE-OD1 2.91Å |
| 87 | L | 91.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 139.3 | 169.7 | -73.6 | 164.3 | 0 | 0 | 0 | 110.4 | F53 F55 V65 Q67 F69 C94 L202 | F53-L87 HydrophobicContact CD1-CD2 3.95Å; F53-L87 HydrophobicContact CE1-CD2 3.57Å; F53-L87 HydrophobicContact CZ-CD2 4.44Å; F55-L87 HydrophobicContact CE1-CD1 4.38Å; V65-L87 HydrophobicContact CB-CD1 4.34Å; V65-L87 HydrophobicContact CG1-CD1 3.63Å; Q67-L87 PolarHBondContact O-N 2.92Å; F69-L87 HydrophobicContact CD1-CD1 4.27Å; F69-L87 HydrophobicContact CE1-CD1 3.81Å; F69-L87 HydrophobicContact CE1-CG 4.03Å; L87-C94 HydrophobicContact CD2-CB 3.86Å; L87-L202 HydrophobicContact CD1-CD1 4.1Å |
| 88 | T | 86 | Confident | 91.9 | Very high | 39 Ų | 39 | 30 Ų | 30 | 24% | 0.239 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 161.3 | 171.8 | 59.9 | 0 | 0 | 0 | 0 | 111.6 | G90 C91 V93 | T88-G90 PolarHBondContact O-N 2.69Å; T88-C91 WeakPolarHBondContact O-CA 3.38Å; T88-C91 PolarHBondContact O-N 3Å; T88-V93 HydrophobicContact CG2-CB 3.91Å; T88-V93 HydrophobicContact CG2-CG1 4.35Å; T88-V93 PolarHBondContact N-O 3.16Å; T88-V93 PolarHBondContact OG1-N 2.87Å; T88-V93 VanDerWaalsContact OG1-N 3.15Å; T88-V93 PolarHBondContact OG1-O 3.03Å; T88-V93 VanDerWaalsContact OG1-O 3.12Å |
| 89 | Q | 76.4 | Confident | 92.1 | Very high | 142 Ų | 142 | 27 Ų | 27 | 66% | 0.664 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 133.5 | 170.4 | -64.2 | -179.4 | -0.1 | 0 | 0 | 109.5 | T545 | Q89-T545 PolarHBondContact NE2-OG1 3.34Š|
| 90 | G | 73.5 | Confident | 92.1 | Very high | 14 Ų | 14 | 26 Ų | 26 | 14% | 0.144 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 4.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q62 T88 R92 | Q62-G90 WeakPolarHBondContact CB-O 3.45Å; Q62-G90 VanDerWaalsContact CG-O 3.31Å; Q62-G90 WeakPolarHBondContact CG-O 3.41Å; Q62-G90 PolarHBondContact OE1-O 3.11Å; Q62-G90 VanDerWaalsContact OE1-O 3.11Å; T88-G90 PolarHBondContact O-N 2.69Å; G90-R92 WeakPolarHBondContact O-CG 3.5Å; G90-R92 PolarHBondContact O-N 3.24Å |
| 91 | C | 78.7 | Confident | 92.1 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 6% | 0.061 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 50.7 | 27.4 | 178.5 | -65.8 | 0 | 0 | 0 | 0 | 114.8 | C21 F53 F55 Q62 V65 T88 | C21-C91 VanDerWaalsContact CB-O 3.28Å; C21-C91 WeakPolarHBondContact CB-O 3.34Å; C21-C91 PolarHBondContact SG-O 3.19Å; F53-C91 WeakPolarHBondContact CE1-O 3.36Å; F55-C91 HydrophobicContact CZ-CB 4.43Å; Q62-C91 HydrophobicContact CB-CB 4.35Å; Q62-C91 HydrophobicContact CG-CB 4.43Å; Q62-C91 PolarHBondContact O-SG 3.36Å; V65-C91 VanDerWaalsContact CG2-SG 3.59Å; T88-C91 WeakPolarHBondContact O-CA 3.38Å; T88-C91 PolarHBondContact O-N 3Å |
| 92 | R | 84.3 | Confident | 92.1 | Very high | 173 Ų | 173 | 24 Ų | 24 | 65% | 0.653 | 11% | 0.114 | S | C | * | . | trans | -86.5 | -24.8 | -175.3 | -62.4 | -167 | 179.2 | -159.3 | -1.9 | 113.9 | C21 G90 | C21-R92 WeakPolarHBondContact CB-O 3.14Å; C21-R92 PolarHBondContact N-O 2.87Å; G90-R92 WeakPolarHBondContact O-CG 3.5Å; G90-R92 PolarHBondContact O-N 3.24Å | ||
| 93 | V | 91.3 | Very high | 91.9 | Very high | 26 Ų | 26 | 24.3 Ų | 24.3 | 16% | 0.158 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 140 | -178.8 | 177 | 0 | 0 | 0 | 0 | 108.7 | Q18 V19 L32 T88 | Q18-V93 HydrophobicContact CG-CG1 3.57Å; V19-V93 CarbonylContact O-C 3.52Å; V19-V93 VanDerWaalsContact O-CA 3.25Å; V19-V93 WeakPolarHBondContact O-CA 3.45Å; L32-V93 HydrophobicContact CD1-CG2 4.4Å; T88-V93 HydrophobicContact CG2-CB 3.91Å; T88-V93 HydrophobicContact CG2-CG1 4.35Å; T88-V93 PolarHBondContact N-O 3.16Å; T88-V93 PolarHBondContact OG1-N 2.87Å; T88-V93 VanDerWaalsContact OG1-N 3.15Å; T88-V93 PolarHBondContact OG1-O 3.03Å; T88-V93 VanDerWaalsContact OG1-O 3.12Å |
| 94 | C | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136 | 167.7 | -170.4 | 0 | 0 | 0 | 0 | 109 | Q18 V19 C52 F53 R86 L87 | Q18-C94 WeakPolarHBondContact CA-O 3.39Å; V19-C94 PolarHBondContact N-O 2.7Å; V19-C94 PolarHBondContact O-N 2.71Å; C52-C94 HydrophobicContact CB-CB 3.67Å; F53-C94 HydrophobicContact CE1-CB 4.18Å; F53-C94 HydrophobicContact CE2-CB 4.13Å; F53-C94 HydrophobicContact CZ-CB 3.72Å; R86-C94 WeakPolarHBondContact O-CA 3.49Å; L87-C94 HydrophobicContact CD2-CB 3.86Å |
| 95 | I | 95.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.1 | 165.9 | -56.6 | 156.7 | 0 | 0 | 0 | 106.2 | V16 V17 Q18 C85 R86 L111 A115 L118 | V16-I95 HydrophobicContact CG1-CG2 4.37Å; V17-I95 WeakPolarHBondContact O-CA 3.37Å; Q18-I95 HydrophobicContact CG-CG1 4.4Å; C85-I95 CarbonylContact C-O 3.58Å; C85-I95 WeakPolarHBondContact CA-O 3.41Å; R86-I95 PolarHBondContact N-O 3.37Å; R86-I95 PolarHBondContact O-N 3.32Å; I95-L111 HydrophobicContact CB-CD2 4.24Å; I95-L111 HydrophobicContact CG2-CD2 3.65Å; I95-A115 HydrophobicContact CD1-CB 3.49Å; I95-A115 VanDerWaalsContact CD1-CB 3.49Å; I95-L118 HydrophobicContact CD1-CD1 3.69Å; I95-L118 HydrophobicContact CG1-CD1 4.02Å |
| 96 | C | 97 | Very high | 91.5 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.2 | -178.5 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | V16 V17 I48 C52 F71 F84 | V16-C96 CarbonylContact C-O 3.51Å; V16-C96 VanDerWaalsContact CA-O 3.28Å; V16-C96 WeakPolarHBondContact CA-O 3.42Å; V16-C96 WeakPolarHBondContact CG1-O 3.45Å; V17-C96 HydrophobicContact CG2-CB 3.95Å; V17-C96 PolarHBondContact N-O 2.75Å; V17-C96 PolarHBondContact O-N 2.82Å; I48-C96 HydrophobicContact CG2-CB 4.13Å; C52-C96 VanDerWaalsContact SG-CB 3.6Å; F71-C96 VanDerWaalsContact CE1-SG 3.6Å; F84-C96 CarbonylContact O-C 3.59Å; F84-C96 VanDerWaalsContact O-CA 3.29Å; F84-C96 WeakPolarHBondContact O-CA 3.29Å |
| 97 | L | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.7 | 169.8 | 179.2 | 155 | 0 | 0 | 0 | 108.9 | F13 V16 F84 Y107 L110 L111 | F13-L97 HydrophobicContact CB-CD1 4.39Å; F13-L97 HydrophobicContact CB-CD2 3.83Å; F13-L97 HydrophobicContact CB-CG 4.08Å; F13-L97 HydrophobicContact CG-CD1 4.35Å; F13-L97 HydrophobicContact CG-CG 4.36Å; V16-L97 HydrophobicContact CG2-CB 4.09Å; V16-L97 HydrophobicContact CG2-CD1 3.91Å; V16-L97 HydrophobicContact CG2-CG 3.88Å; F84-L97 HydrophobicContact CD2-CD2 3.89Å; F84-L97 PolarHBondContact N-O 3.22Å; F84-L97 PolarHBondContact O-N 2.88Å; L97-Y107 HydrophobicContact CD1-CD1 3.61Å; L97-Y107 HydrophobicContact CD1-CE1 3.95Å; L97-Y107 HydrophobicContact CD2-CD1 3.5Å; L97-Y107 HydrophobicContact CD2-CD2 4.28Å; L97-Y107 HydrophobicContact CD2-CE1 3.63Å; L97-Y107 HydrophobicContact CD2-CE2 4.37Å; L97-Y107 HydrophobicContact CD2-CG 3.86Å; L97-Y107 HydrophobicContact CG-CD1 4.22Å; L97-Y107 HydrophobicContact CG-CE1 4.49Å; L97-L110 HydrophobicContact CD1-CD2 3.77Å; L97-L111 HydrophobicContact CB-CD2 4.21Å |
| 98 | L | 97 | Very high | 91.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.9 | 176 | -167.8 | 78 | 0 | 0 | 0 | 110.2 | F13 D14 L15 V44 I48 F71 L73 R81 F82 | F13-L98 WeakPolarHBondContact CB-O 3.2Å; D14-L98 HydrophobicContact CB-CD2 4.45Å; D14-L98 PolarHBondContact N-O 3.34Å; L15-L98 HydrophobicContact CB-CB 4.39Å; L15-L98 PolarHBondContact O-N 3.36Å; V44-L98 HydrophobicContact CG1-CD2 4.06Å; I48-L98 HydrophobicContact CD1-CB 4.26Å; I48-L98 HydrophobicContact CD1-CD1 4.41Å; I48-L98 HydrophobicContact CD1-CD2 4.24Å; F71-L98 HydrophobicContact CE2-CD1 4.4Å; L73-L98 HydrophobicContact CD1-CD1 4.22Å; R81-L98 HydrophobicContact CB-CD1 3.99Å; R81-L98 HydrophobicContact CB-CG 4.27Å; F82-L98 WeakPolarHBondContact O-CA 3.34Å |
| 99 | S | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 148.4 | 174.7 | 176.7 | 0 | 0 | 0 | 0 | 112.6 | T12 F82 L101 Y107 | T12-S99 WeakPolarHBondContact O-CB 3.32Å; T12-S99 PolarHBondContact O-OG 3.46Å; F82-S99 WeakPolarHBondContact CB-O 3.44Å; F82-S99 PolarHBondContact N-O 2.84Å; F82-S99 PolarHBondContact O-N 2.75Å; S99-L101 VanDerWaalsContact C-N 3.25Å; S99-L101 PolarHBondContact O-N 3.13Å; S99-L101 WeakPolarHBondContact OG-CB 3.47Å; S99-L101 PolarHBondContact OG-N 3.07Å; S99-Y107 PolarHBondContact OG-OH 2.8Å |
| 100 | Y | 96.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 27 Ų | 27 | 4% | 0.039 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -71.4 | -12.2 | 166.4 | -79.9 | -78.8 | 0 | 0 | 0 | 114.6 | K6 D14 D75 K79 Q80 R81 | K6-Y100 HydrophobicContact CB-CD1 3.53Å; K6-Y100 HydrophobicContact CB-CE1 4.1Å; K6-Y100 HydrophobicContact CB-CG 4.04Å; K6-Y100 HydrophobicContact CD-CD1 3.52Å; K6-Y100 HydrophobicContact CD-CD2 3.94Å; K6-Y100 HydrophobicContact CD-CE1 3.47Å; K6-Y100 VanDerWaalsContact CD-CE1 3.47Å; K6-Y100 HydrophobicContact CD-CE2 3.91Å; K6-Y100 HydrophobicContact CD-CG 3.73Å; K6-Y100 HydrophobicContact CG-CD1 4.17Å; K6-Y100 HydrophobicContact CG-CE1 4.41Å; K6-Y100 HydrophobicContact CG-CG 4.49Å; D14-Y100 WeakPolarHBondContact OD2-CD2 3.4Å; D75-Y100 WeakPolarHBondContact OD2-CE1 3.5Å; D75-Y100 VanDerWaalsContact OD2-CZ 3.3Å; D75-Y100 PolarHBondContact OD2-OH 3.15Å; K79-Y100 HydrophobicContact CB-CE1 4.2Å; Q80-Y100 WeakPolarHBondContact O-CD1 3.46Å; R81-Y100 HydrophobicContact CG-CD1 3.92Å; R81-Y100 HydrophobicContact CG-CD2 4.17Å; R81-Y100 HydrophobicContact CG-CE1 3.54Å; R81-Y100 HydrophobicContact CG-CE2 3.81Å; R81-Y100 HydrophobicContact CG-CG 4.25Å; R81-Y100 PolarHBondContact NE-OH 2.79Å; R81-Y100 PolarHBondContact NH2-OH 2.92Å |
| 101 | L | 95.6 | Very high | 93.8 | Very high | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.073 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -89.1 | 123.9 | -177.3 | -67.1 | 170.6 | 0 | 0 | 0 | 111.2 | P9 F84 S99 W103 Y107 V138 | P9-L101 HydrophobicContact CG-CD2 3.62Å; P9-L101 HydrophobicContact CG-CG 3.95Å; F84-L101 WeakPolarHBondContact CZ-O 3.37Å; S99-L101 VanDerWaalsContact C-N 3.25Å; S99-L101 PolarHBondContact O-N 3.13Å; S99-L101 WeakPolarHBondContact OG-CB 3.47Å; S99-L101 PolarHBondContact OG-N 3.07Å; L101-W103 HydrophobicContact CB-CD2 4.04Å; L101-W103 HydrophobicContact CB-CG 4.14Å; L101-W103 HydrophobicContact CD1-CD2 4.26Å; L101-W103 HydrophobicContact CD1-CE3 4.28Å; L101-W103 HydrophobicContact CD1-CH2 3.76Å; L101-W103 HydrophobicContact CD1-CZ2 3.74Å; L101-W103 HydrophobicContact CD1-CZ3 4.03Å; L101-W103 HydrophobicContact CD2-CZ2 4.27Å; L101-W103 HydrophobicContact CG-CZ2 4.46Å; L101-W103 PolarHBondContact O-N 3.38Å; L101-Y107 HydrophobicContact CB-CE2 4.35Å; L101-V138 HydrophobicContact CD1-CG1 4.12Å; L101-V138 HydrophobicContact CD2-CG1 4.19Å |
| 102 | P | 95.6 | Very high | 94.4 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 15% | 0.149 | 13% | 0.13 | C | C | . | . | trans | -81 | 51.2 | -176.3 | 34.5 | -37.6 | 0 | 0 | 0 | 112.7 | I5 F82 F104 I158 | I5-P102 HydrophobicContact CD1-CB 4.3Å; I5-P102 HydrophobicContact CD1-CG 4.16Å; I5-P102 HydrophobicContact CG2-CG 4.33Å; F82-P102 HydrophobicContact CD2-CB 4.39Å; F82-P102 HydrophobicContact CE1-CB 4.44Å; F82-P102 HydrophobicContact CE2-CB 3.89Å; F82-P102 HydrophobicContact CZ-CB 3.93Å; P102-F104 HydrophobicContact CB-CE2 3.97Å; P102-F104 VanDerWaalsContact O-CD2 3.29Å; P102-F104 WeakPolarHBondContact O-CD2 3.28Å; P102-F104 PolarHBondContact O-N 2.86Å; P102-I158 HydrophobicContact CG-CG2 3.91Å | ||
| 103 | W | 95.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 22.5 Ų | 22.5 | 3% | 0.034 | 11% | 0.112 | C | C | . | . | trans | -97.2 | 56.9 | -173.8 | -57.9 | -11.5 | 0 | 0 | 0 | 113.1 | L101 E105 I106 Y107 P139 F153 A155 P156 | L101-W103 HydrophobicContact CB-CD2 4.04Å; L101-W103 HydrophobicContact CB-CG 4.14Å; L101-W103 HydrophobicContact CD1-CD2 4.26Å; L101-W103 HydrophobicContact CD1-CE3 4.28Å; L101-W103 HydrophobicContact CD1-CH2 3.76Å; L101-W103 HydrophobicContact CD1-CZ2 3.74Å; L101-W103 HydrophobicContact CD1-CZ3 4.03Å; L101-W103 HydrophobicContact CD2-CZ2 4.27Å; L101-W103 HydrophobicContact CG-CZ2 4.46Å; L101-W103 PolarHBondContact O-N 3.38Å; W103-E105 VanDerWaalsContact C-N 3.33Å; W103-E105 PolarHBondContact O-N 2.84Å; W103-I106 HydrophobicContact CB-CB 4.2Å; W103-I106 HydrophobicContact CB-CD1 4.17Å; W103-I106 HydrophobicContact CD2-CD1 4.32Å; W103-I106 HydrophobicContact CE3-CD1 4.21Å; W103-I106 HydrophobicContact CG-CD1 4.37Å; W103-I106 PolarHBondContact O-N 3.12Å; W103-Y107 HydrophobicContact CB-CD2 3.85Å; W103-Y107 HydrophobicContact CB-CE2 3.62Å; W103-Y107 HydrophobicContact CD2-CE2 4.44Å; W103-Y107 HydrophobicContact CE3-CE2 4.22Å; W103-Y107 AromaticContact CE3-CZ 3.94Å; W103-Y107 HydrophobicContact CG-CE2 4.24Å; W103-Y107 VanDerWaalsContact O-CD2 3.32Å; W103-Y107 WeakPolarHBondContact O-CD2 3.42Å; W103-Y107 PolarHBondContact O-N 2.91Å; W103-P139 HydrophobicContact CH2-CG 3.62Å; W103-P139 HydrophobicContact CZ2-CG 4.37Å; W103-F153 HydrophobicContact CE3-CE2 4.25Å; W103-F153 HydrophobicContact CH2-CE2 4.22Å; W103-F153 AromaticContact CZ3-CE2 3.69Å; W103-F153 HydrophobicContact CZ3-CE2 3.69Å; W103-F153 AromaticContact CZ3-CZ 3.92Å; W103-F153 HydrophobicContact CZ3-CZ 3.92Å; W103-A155 HydrophobicContact CH2-CB 4.5Å; W103-A155 HydrophobicContact CZ2-CB 4.36Å; W103-P156 HydrophobicContact CB-CG 4.41Å; W103-P156 HydrophobicContact CD2-CG 4.26Å; W103-P156 HydrophobicContact CG-CG 3.78Å | ||
| 104 | F | 95.2 | Very high | 94.7 | Very high | 19 Ų | 19 | 21.4 Ų | 21.4 | 8% | 0.083 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -44.9 | -52.6 | -175.5 | -58.6 | -92.8 | 0 | 0 | 0 | 113.2 | T70 F82 F84 P102 I106 Y107 Y108 N169 H210 | T70-F104 HydrophobicContact CG2-CD1 4.35Å; T70-F104 HydrophobicContact CG2-CE1 3.77Å; T70-F104 WeakPolarHBondContact OG1-CD1 3.41Å; F82-F104 HydrophobicContact CD1-CE1 4.38Å; F82-F104 AromaticContact CD1-CZ 3.98Å; F82-F104 HydrophobicContact CD1-CZ 3.98Å; F82-F104 HydrophobicContact CE1-CZ 4.01Å; F84-F104 HydrophobicContact CD1-CD1 4.19Å; F84-F104 HydrophobicContact CE1-CB 4.27Å; F84-F104 AromaticContact CE1-CD1 3.6Å; F84-F104 HydrophobicContact CE1-CD1 3.6Å; F84-F104 HydrophobicContact CE1-CE1 4Å; F84-F104 AromaticContact CE1-CG 3.89Å; F84-F104 HydrophobicContact CE1-CG 3.89Å; P102-F104 HydrophobicContact CB-CE2 3.97Å; P102-F104 VanDerWaalsContact O-CD2 3.29Å; P102-F104 WeakPolarHBondContact O-CD2 3.28Å; P102-F104 PolarHBondContact O-N 2.86Å; F104-I106 VanDerWaalsContact C-N 3.28Å; F104-I106 PolarHBondContact O-N 2.89Å; F104-Y107 PolarHBondContact O-N 2.9Å; F104-Y108 HydrophobicContact CB-CD2 4.21Å; F104-Y108 HydrophobicContact CB-CE2 3.94Å; F104-Y108 HydrophobicContact CD1-CE2 4.4Å; F104-Y108 VanDerWaalsContact O-CB 3.28Å; F104-Y108 WeakPolarHBondContact O-CB 3.24Å; F104-Y108 WeakPolarHBondContact O-CD2 3.45Å; F104-Y108 PolarHBondContact O-N 2.88Å; F104-N169 WeakPolarHBondContact CD1-ND2 3.28Å; F104-N169 WeakPolarHBondContact CD2-ND2 3.4Å; F104-N169 WeakPolarHBondContact CE1-ND2 3.34Å; F104-N169 WeakPolarHBondContact CE2-ND2 3.26Å; F104-N169 WeakPolarHBondContact CG-ND2 3.27Å; F104-N169 VanDerWaalsContact CZ-ND2 3.28Å; F104-N169 WeakPolarHBondContact CZ-ND2 3.39Å; F104-H210 AromaticContact CE1-CD2 3.85Å; F104-H210 AromaticContact CE1-NE2 3.87Å; F104-H210 AromaticContact CZ-CE1 3.98Å; F104-H210 AromaticContact CZ-ND1 3.93Å |
| 105 | E | 94 | Very high | 94.5 | Very high | 59 Ų | 59 | 21.5 Ų | 21.5 | 28% | 0.276 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -66.4 | -27 | -175.4 | -67.7 | 64.4 | -141.7 | 0 | 0 | 113.6 | W103 K109 E166 S167 R168 | W103-E105 VanDerWaalsContact C-N 3.33Å; W103-E105 PolarHBondContact O-N 2.84Å; E105-K109 WeakPolarHBondContact O-CD 3.38Å; E105-K109 VanDerWaalsContact O-CG 3.26Å; E105-K109 WeakPolarHBondContact O-CG 3.35Å; E105-E166 WeakPolarHBondContact CG-O 3.37Å; E105-S167 WeakPolarHBondContact OE1-CA 3.35Å; E105-R168 PolarHBondContact OE1-N 3.47Å |
| 106 | I | 94.1 | Very high | 94.3 | Very high | 29 Ų | 29 | 24.7 Ų | 24.7 | 15% | 0.149 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -84 | -49 | 178.3 | -68 | 159.8 | 0 | 0 | 0 | 109.5 | W103 F104 Y108 K109 L110 F153 P156 | W103-I106 HydrophobicContact CB-CB 4.2Å; W103-I106 HydrophobicContact CB-CD1 4.17Å; W103-I106 HydrophobicContact CD2-CD1 4.32Å; W103-I106 HydrophobicContact CE3-CD1 4.21Å; W103-I106 HydrophobicContact CG-CD1 4.37Å; W103-I106 PolarHBondContact O-N 3.12Å; F104-I106 VanDerWaalsContact C-N 3.28Å; F104-I106 PolarHBondContact O-N 2.89Å; I106-Y108 PolarHBondContact O-N 3.43Å; I106-K109 PolarHBondContact O-N 3.48Å; I106-K109 VanDerWaalsContact O-N 3.16Å; I106-L110 WeakPolarHBondContact O-CB 3.35Å; I106-L110 PolarHBondContact O-N 2.9Å; I106-F153 HydrophobicContact CD1-CB 4.44Å; I106-F153 HydrophobicContact CD1-CD2 3.52Å; I106-F153 HydrophobicContact CD1-CE2 4.08Å; I106-F153 HydrophobicContact CD1-CG 4.25Å; I106-F153 HydrophobicContact CG1-CB 4.25Å; I106-F153 HydrophobicContact CG1-CD2 4.13Å; I106-F153 HydrophobicContact CG1-CG 4.38Å; I106-F153 HydrophobicContact CG2-CB 4.43Å; I106-F153 HydrophobicContact CG2-CD1 4.25Å; I106-F153 HydrophobicContact CG2-CD2 4.1Å; I106-F153 HydrophobicContact CG2-CE2 4.39Å; I106-F153 HydrophobicContact CG2-CG 4.02Å; I106-P156 HydrophobicContact CD1-CG 4.15Å |
| 107 | Y | 95.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68 | -35.1 | -179.6 | -64.5 | -56.6 | 0 | 0 | 0 | 112.5 | T12 F84 L97 S99 L101 W103 F104 K109 L110 L111 | T12-Y107 PolarHBondContact O-OH 2.69Å; F84-Y107 HydrophobicContact CD1-CD2 4.28Å; F84-Y107 AromaticContact CD2-CD2 3.52Å; F84-Y107 HydrophobicContact CD2-CD2 3.52Å; F84-Y107 HydrophobicContact CD2-CE2 4.25Å; F84-Y107 AromaticContact CD2-CG 3.88Å; F84-Y107 HydrophobicContact CD2-CG 3.88Å; F84-Y107 HydrophobicContact CE1-CD2 4.08Å; F84-Y107 AromaticContact CE2-CD2 3.26Å; F84-Y107 HydrophobicContact CE2-CD2 3.26Å; F84-Y107 AromaticContact CE2-CE2 3.7Å; F84-Y107 HydrophobicContact CE2-CE2 3.7Å; F84-Y107 HydrophobicContact CE2-CG 4.1Å; F84-Y107 HydrophobicContact CG-CD2 4.04Å; F84-Y107 HydrophobicContact CG-CG 4.17Å; F84-Y107 AromaticContact CZ-CD2 3.58Å; F84-Y107 HydrophobicContact CZ-CD2 3.58Å; F84-Y107 HydrophobicContact CZ-CE2 4.13Å; L97-Y107 HydrophobicContact CD1-CD1 3.61Å; L97-Y107 HydrophobicContact CD1-CE1 3.95Å; L97-Y107 HydrophobicContact CD2-CD1 3.5Å; L97-Y107 HydrophobicContact CD2-CD2 4.28Å; L97-Y107 HydrophobicContact CD2-CE1 3.63Å; L97-Y107 HydrophobicContact CD2-CE2 4.37Å; L97-Y107 HydrophobicContact CD2-CG 3.86Å; L97-Y107 HydrophobicContact CG-CD1 4.22Å; L97-Y107 HydrophobicContact CG-CE1 4.49Å; S99-Y107 PolarHBondContact OG-OH 2.8Å; L101-Y107 HydrophobicContact CB-CE2 4.35Å; W103-Y107 HydrophobicContact CB-CD2 3.85Å; W103-Y107 HydrophobicContact CB-CE2 3.62Å; W103-Y107 HydrophobicContact CD2-CE2 4.44Å; W103-Y107 HydrophobicContact CE3-CE2 4.22Å; W103-Y107 AromaticContact CE3-CZ 3.94Å; W103-Y107 HydrophobicContact CG-CE2 4.24Å; W103-Y107 VanDerWaalsContact O-CD2 3.32Å; W103-Y107 WeakPolarHBondContact O-CD2 3.42Å; W103-Y107 PolarHBondContact O-N 2.91Å; F104-Y107 PolarHBondContact O-N 2.9Å; Y107-K109 VanDerWaalsContact C-N 3.3Å; Y107-K109 PolarHBondContact O-N 2.69Å; Y107-L110 HydrophobicContact CD1-CD2 4.15Å; Y107-L110 PolarHBondContact O-N 3.36Å; Y107-L111 VanDerWaalsContact O-CB 3.28Å; Y107-L111 WeakPolarHBondContact O-CB 3.25Å; Y107-L111 WeakPolarHBondContact O-CD1 3.43Å; Y107-L111 WeakPolarHBondContact O-CG 3.45Å; Y107-L111 PolarHBondContact O-N 3.01Å |
| 108 | Y | 95 | Very high | 93.4 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.3 | -33.8 | 171.7 | -70.1 | -36.7 | 0 | 0 | 0 | 113.1 | N68 F69 T70 F104 I106 N112 | N68-Y108 HydrophobicContact CB-CD1 3.72Å; N68-Y108 HydrophobicContact CB-CE1 3.72Å; N68-Y108 HydrophobicContact CB-CG 4.32Å; F69-Y108 VanDerWaalsContact C-OH 3.24Å; F69-Y108 WeakPolarHBondContact CA-OH 3.25Å; T70-Y108 PolarHBondContact N-OH 3.31Å; T70-Y108 PolarHBondContact OG1-OH 3.06Å; F104-Y108 HydrophobicContact CB-CD2 4.21Å; F104-Y108 HydrophobicContact CB-CE2 3.94Å; F104-Y108 HydrophobicContact CD1-CE2 4.4Å; F104-Y108 VanDerWaalsContact O-CB 3.28Å; F104-Y108 WeakPolarHBondContact O-CB 3.24Å; F104-Y108 WeakPolarHBondContact O-CD2 3.45Å; F104-Y108 PolarHBondContact O-N 2.88Å; I106-Y108 PolarHBondContact O-N 3.43Å; Y108-N112 PolarHBondContact O-N 2.89Å; Y108-N112 PolarHBondContact O-ND2 3.31Å |
| 109 | K | 93.1 | Very high | 92.9 | Very high | 150 Ų | 150 | 33.9 Ų | 33.9 | 65% | 0.652 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -71.8 | -45.1 | 172.6 | -73.6 | 173.4 | -175.4 | 177.3 | 0 | 111.4 | E105 I106 Y107 L111 N112 T113 | E105-K109 WeakPolarHBondContact O-CD 3.38Å; E105-K109 VanDerWaalsContact O-CG 3.26Å; E105-K109 WeakPolarHBondContact O-CG 3.35Å; I106-K109 PolarHBondContact O-N 3.48Å; I106-K109 VanDerWaalsContact O-N 3.16Å; Y107-K109 VanDerWaalsContact C-N 3.3Å; Y107-K109 PolarHBondContact O-N 2.69Å; K109-L111 PolarHBondContact O-N 2.88Å; K109-N112 WeakPolarHBondContact O-CB 3.4Å; K109-N112 PolarHBondContact O-N 2.93Å; K109-T113 PolarHBondContact O-N 3.23Å; K109-T113 VanDerWaalsContact O-N 3.13Å; K109-T113 PolarHBondContact O-OG1 2.57Å |
| 110 | L | 93.3 | Very high | 92.6 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.4 | -173.2 | 72.7 | 0 | 0 | 0 | 111.9 | L97 I106 Y107 N112 T113 L114 L129 L133 L147 | L97-L110 HydrophobicContact CD1-CD2 3.77Å; I106-L110 WeakPolarHBondContact O-CB 3.35Å; I106-L110 PolarHBondContact O-N 2.9Å; Y107-L110 HydrophobicContact CD1-CD2 4.15Å; Y107-L110 PolarHBondContact O-N 3.36Å; L110-N112 VanDerWaalsContact C-N 3.27Å; L110-N112 PolarHBondContact O-N 2.87Å; L110-T113 WeakPolarHBondContact O-CB 3.18Å; L110-T113 PolarHBondContact O-N 2.93Å; L110-T113 VanDerWaalsContact O-N 3.09Å; L110-L114 HydrophobicContact CD2-CD1 4.36Å; L110-L114 HydrophobicContact CG-CD1 4.01Å; L110-L114 HydrophobicContact CG-CG 4.33Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.47Å; L110-L129 HydrophobicContact CD1-CD1 4.08Å; L110-L129 HydrophobicContact CD1-CD2 3.89Å; L110-L129 HydrophobicContact CD1-CG 4.15Å; L110-L133 HydrophobicContact CD2-CD2 3.38Å; L110-L147 HydrophobicContact CD1-CD1 4.33Å |
| 111 | L | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -31.9 | 177 | -74.2 | 164.5 | 0 | 0 | 0 | 112.5 | F84 R86 I95 L97 Y107 K109 A115 | F84-L111 HydrophobicContact CB-CD1 3.76Å; F84-L111 VanDerWaalsContact O-CD1 3.29Å; F84-L111 WeakPolarHBondContact O-CD1 3.44Å; R86-L111 HydrophobicContact CB-CB 4Å; R86-L111 HydrophobicContact CB-CD1 4.49Å; R86-L111 VanDerWaalsContact CD-O 3.29Å; R86-L111 WeakPolarHBondContact CD-O 3.34Å; I95-L111 HydrophobicContact CB-CD2 4.24Å; I95-L111 HydrophobicContact CG2-CD2 3.65Å; L97-L111 HydrophobicContact CB-CD2 4.21Å; Y107-L111 VanDerWaalsContact O-CB 3.28Å; Y107-L111 WeakPolarHBondContact O-CB 3.25Å; Y107-L111 WeakPolarHBondContact O-CD1 3.43Å; Y107-L111 WeakPolarHBondContact O-CG 3.45Å; Y107-L111 PolarHBondContact O-N 3.01Å; K109-L111 PolarHBondContact O-N 2.88Å; L111-A115 VanDerWaalsContact O-CB 3.27Å; L111-A115 WeakPolarHBondContact O-CB 3.32Å; L111-A115 PolarHBondContact O-N 2.81Å |
| 112 | N | 91.6 | Very high | 91.7 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.6 | -48.9 | 169.8 | -74 | -26.4 | 0 | 0 | 0 | 110.9 | R86 Y108 K109 L110 L114 A115 D116 | R86-N112 WeakPolarHBondContact CD-OD1 3.44Å; R86-N112 PolarHBondContact NE-OD1 2.91Å; Y108-N112 PolarHBondContact O-N 2.89Å; Y108-N112 PolarHBondContact O-ND2 3.31Å; K109-N112 WeakPolarHBondContact O-CB 3.4Å; K109-N112 PolarHBondContact O-N 2.93Å; L110-N112 VanDerWaalsContact C-N 3.27Å; L110-N112 PolarHBondContact O-N 2.87Å; N112-L114 PolarHBondContact O-N 3.35Å; N112-A115 PolarHBondContact O-N 3.2Å; N112-D116 WeakPolarHBondContact O-CB 3.25Å; N112-D116 PolarHBondContact O-N 2.92Å |
| 113 | T | 91.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 177.1 | -54.6 | 0 | 0 | 0 | 0 | 112.7 | K109 L110 D116 Y117 L129 | K109-T113 PolarHBondContact O-N 3.23Å; K109-T113 VanDerWaalsContact O-N 3.13Å; K109-T113 PolarHBondContact O-OG1 2.57Å; L110-T113 WeakPolarHBondContact O-CB 3.18Å; L110-T113 PolarHBondContact O-N 2.93Å; L110-T113 VanDerWaalsContact O-N 3.09Å; T113-D116 WeakPolarHBondContact O-CB 3.06Å; T113-D116 PolarHBondContact O-N 3.4Å; T113-Y117 HydrophobicContact CG2-CD2 4.17Å; T113-Y117 HydrophobicContact CG2-CE2 3.67Å; T113-Y117 PolarHBondContact O-N 3.06Å; T113-L129 HydrophobicContact CG2-CD2 4.07Å |
| 114 | L | 90.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 176.5 | -69.4 | 170.7 | 0 | 0 | 0 | 111.6 | L110 N112 D116 Y117 L118 L126 L129 L130 | L110-L114 HydrophobicContact CD2-CD1 4.36Å; L110-L114 HydrophobicContact CG-CD1 4.01Å; L110-L114 HydrophobicContact CG-CG 4.33Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.47Å; N112-L114 PolarHBondContact O-N 3.35Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 2.93Å; L114-Y117 PolarHBondContact O-N 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.24Å; L114-L118 PolarHBondContact O-N 3.21Å; L114-L126 HydrophobicContact CD2-CD1 4.05Å; L114-L126 HydrophobicContact CD2-CG 3.98Å; L114-L129 HydrophobicContact CD2-CD2 4.05Å; L114-L130 HydrophobicContact CD1-CD2 4.14Å; L114-L130 HydrophobicContact CD2-CD1 4.16Å; L114-L130 HydrophobicContact CD2-CD2 3.98Å; L114-L130 HydrophobicContact CD2-CG 3.95Å |
| 115 | A | 89.9 | Confident | 90.6 | Very high | 2 Ų | 2 | 63 Ų | 63 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I95 L111 N112 L118 T119 | I95-A115 HydrophobicContact CD1-CB 3.49Å; I95-A115 VanDerWaalsContact CD1-CB 3.49Å; L111-A115 VanDerWaalsContact O-CB 3.27Å; L111-A115 WeakPolarHBondContact O-CB 3.32Å; L111-A115 PolarHBondContact O-N 2.81Å; N112-A115 PolarHBondContact O-N 3.2Å; A115-L118 PolarHBondContact O-N 2.97Å; A115-T119 WeakPolarHBondContact O-CB 3.31Å; A115-T119 PolarHBondContact O-N 3.42Å; A115-T119 PolarHBondContact O-OG1 3.39Å |
| 116 | D | 89.7 | Confident | 90.4 | Very high | 71 Ų | 71 | 60.4 Ų | 60.4 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 174.4 | -97.6 | 39.9 | 0 | 0 | 0 | 111.7 | N112 T113 L114 T119 K120 | N112-D116 WeakPolarHBondContact O-CB 3.25Å; N112-D116 PolarHBondContact O-N 2.92Å; T113-D116 WeakPolarHBondContact O-CB 3.06Å; T113-D116 PolarHBondContact O-N 3.4Å; L114-D116 VanDerWaalsContact C-N 3.32Å; L114-D116 PolarHBondContact O-N 2.93Å; D116-T119 PolarHBondContact O-N 3.37Å; D116-K120 WeakPolarHBondContact O-CB 3.39Å; D116-K120 WeakPolarHBondContact O-CD 3.26Å; D116-K120 WeakPolarHBondContact O-CG 3.37Å; D116-K120 PolarHBondContact O-N 2.84Å; D116-K120 IonicContact OD2-NZ 2.91Å; D116-K120 PolarHBondContact OD2-NZ 2.87Å |
| 117 | Y | 90.1 | Very high | 90.2 | Very high | 30 Ų | 30 | 61.2 Ų | 61.2 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 175.6 | -68.2 | -34.9 | 0 | 0 | 0 | 112.6 | T113 L114 T119 K120 Q121 Q122 D125 L126 L129 | T113-Y117 HydrophobicContact CG2-CD2 4.17Å; T113-Y117 HydrophobicContact CG2-CE2 3.67Å; T113-Y117 PolarHBondContact O-N 3.06Å; L114-Y117 PolarHBondContact O-N 3.31Å; Y117-T119 VanDerWaalsContact C-N 3.3Å; Y117-T119 PolarHBondContact O-N 3.09Å; Y117-K120 CarbonylContact O-C 3.19Å; Y117-K120 PolarHBondContact O-N 3.27Å; Y117-Q121 PolarHBondContact O-N 3.25Å; Y117-Q122 HydrophobicContact CD1-CB 3.92Å; Y117-Q122 HydrophobicContact CG-CB 4.31Å; Y117-Q122 PolarHBondContact O-N 3.11Å; Y117-D125 HydrophobicContact CD1-CB 4.28Å; Y117-D125 HydrophobicContact CD2-CB 4.41Å; Y117-D125 HydrophobicContact CE1-CB 3.97Å; Y117-D125 HydrophobicContact CE2-CB 4.1Å; Y117-D125 HydrophobicContact CG-CB 4.5Å; Y117-L126 HydrophobicContact CD2-CB 4.2Å; Y117-L129 HydrophobicContact CD2-CD2 4.3Å; Y117-L129 HydrophobicContact CE2-CD2 3.78Å |
| 118 | L | 86.8 | Confident | 90 | Very high | 46 Ų | 46 | 65.9 Ų | 65.9 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 173.5 | -71.8 | 168.4 | 0 | 0 | 0 | 111.6 | I95 L114 A115 K120 Q121 L126 | I95-L118 HydrophobicContact CD1-CD1 3.69Å; I95-L118 HydrophobicContact CG1-CD1 4.02Å; L114-L118 WeakPolarHBondContact O-CG 3.24Å; L114-L118 PolarHBondContact O-N 3.21Å; A115-L118 PolarHBondContact O-N 2.97Å; L118-K120 VanDerWaalsContact C-N 3.34Å; L118-Q121 PolarHBondContact O-N 3.47Å; L118-L126 HydrophobicContact CD1-CD1 4.37Å; L118-L126 HydrophobicContact CD2-CD1 3.72Å; L118-L126 HydrophobicContact CG-CD1 3.59Å |
| 119 | T | 86.8 | Confident | 89.8 | Confident | 119 Ų | 119 | 65.4 Ų | 65.4 | 73% | 0.73 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.9 | -32.8 | 177.8 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | A115 D116 Y117 | A115-T119 WeakPolarHBondContact O-CB 3.31Å; A115-T119 PolarHBondContact O-N 3.42Å; A115-T119 PolarHBondContact O-OG1 3.39Å; D116-T119 PolarHBondContact O-N 3.37Å; Y117-T119 VanDerWaalsContact C-N 3.3Å; Y117-T119 PolarHBondContact O-N 3.09Å |
| 120 | K | 89.2 | Confident | 89.8 | Confident | 115 Ų | 115 | 58.3 Ų | 58.3 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -0.6 | 177.5 | -65.1 | 162.4 | -162.7 | 161.1 | 0 | 113.7 | D116 Y117 L118 Q122 | D116-K120 WeakPolarHBondContact O-CB 3.39Å; D116-K120 WeakPolarHBondContact O-CD 3.26Å; D116-K120 WeakPolarHBondContact O-CG 3.37Å; D116-K120 PolarHBondContact O-N 2.84Å; D116-K120 IonicContact OD2-NZ 2.91Å; D116-K120 PolarHBondContact OD2-NZ 2.87Å; Y117-K120 CarbonylContact O-C 3.19Å; Y117-K120 PolarHBondContact O-N 3.27Å; L118-K120 VanDerWaalsContact C-N 3.34Å; K120-Q122 HydrophobicContact CB-CG 3.93Å; K120-Q122 VanDerWaalsContact CD-OE1 3.3Å; K120-Q122 PolarHBondContact O-N 2.83Å |
| 121 | Q | 86 | Confident | 89.8 | Confident | 166 Ų | 166 | 60.8 Ų | 60.8 | 78% | 0.776 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 33.1 | -173.3 | -59.4 | -178.9 | -18.3 | 0 | 0 | 113.8 | Y117 L118 E123 | Y117-Q121 PolarHBondContact O-N 3.25Å; L118-Q121 PolarHBondContact O-N 3.47Å; Q121-E123 VanDerWaalsContact C-N 3.3Å; Q121-E123 PolarHBondContact O-N 2.96Å; Q121-E123 VanDerWaalsContact O-N 3.09Å |
| 122 | Q | 87.5 | Confident | 89.7 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | trans | -85.8 | 65.4 | 178.2 | -71 | -174.1 | -99.7 | 0 | 0 | 111.4 | Y117 K120 N124 D125 L126 | Y117-Q122 HydrophobicContact CD1-CB 3.92Å; Y117-Q122 HydrophobicContact CG-CB 4.31Å; Y117-Q122 PolarHBondContact O-N 3.11Å; K120-Q122 HydrophobicContact CB-CG 3.93Å; K120-Q122 VanDerWaalsContact CD-OE1 3.3Å; K120-Q122 PolarHBondContact O-N 2.83Å; Q122-N124 VanDerWaalsContact C-N 3.32Å; Q122-N124 PolarHBondContact O-N 3.07Å; Q122-D125 HydrophobicContact CB-CB 4.29Å; Q122-D125 PolarHBondContact NE2-OD2 3.15Å; Q122-L126 WeakPolarHBondContact O-CB 3.42Å; Q122-L126 PolarHBondContact O-N 3.37Å; Q122-L126 VanDerWaalsContact O-N 3.11Å | ||
| 123 | E | 86.9 | Confident | 89.7 | Confident | 139 Ų | 139 | 60.8 Ų | 60.8 | 65% | 0.65 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.4 | -35.3 | -176.1 | -66.3 | -175.6 | -177.4 | 0 | 0 | 113.2 | Q121 N127 | Q121-E123 VanDerWaalsContact C-N 3.3Å; Q121-E123 PolarHBondContact O-N 2.96Å; Q121-E123 VanDerWaalsContact O-N 3.09Å; E123-N127 WeakPolarHBondContact O-CB 3.21Å; E123-N127 PolarHBondContact O-N 2.65Å; E123-N127 PolarHBondContact O-ND2 2.88Å |
| 124 | N | 87.5 | Confident | 89.8 | Confident | 129 Ų | 129 | 60.8 Ų | 60.8 | 69% | 0.69 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.4 | -56.2 | 177.9 | -64.1 | -22.6 | 0 | 0 | 0 | 111.1 | Q122 L126 N127 D128 | Q122-N124 VanDerWaalsContact C-N 3.32Å; Q122-N124 PolarHBondContact O-N 3.07Å; N124-L126 PolarHBondContact O-N 3.47Å; N124-N127 PolarHBondContact O-N 2.7Å; N124-N127 VanDerWaalsContact O-N 3.15Å; N124-D128 WeakPolarHBondContact O-CB 3.31Å; N124-D128 PolarHBondContact O-N 2.95Å |
| 125 | D | 88.5 | Confident | 89.9 | Confident | 72 Ų | 72 | 68.2 Ų | 68.2 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.1 | -34.8 | 179.7 | -59.3 | -73.7 | 0 | 0 | 0 | 112.1 | Y117 Q122 L129 | Y117-D125 HydrophobicContact CD1-CB 4.28Å; Y117-D125 HydrophobicContact CD2-CB 4.41Å; Y117-D125 HydrophobicContact CE1-CB 3.97Å; Y117-D125 HydrophobicContact CE2-CB 4.1Å; Y117-D125 HydrophobicContact CG-CB 4.5Å; Q122-D125 HydrophobicContact CB-CB 4.29Å; Q122-D125 PolarHBondContact NE2-OD2 3.15Å; D125-L129 WeakPolarHBondContact O-CB 3.4Å; D125-L129 PolarHBondContact O-N 2.97Å; D125-L129 VanDerWaalsContact O-N 3.07Å |
| 126 | L | 89.9 | Confident | 90 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.6 | -48 | 175.8 | 177.2 | 140.6 | 0 | 0 | 0 | 112.6 | W33 L114 Y117 L118 Q122 N124 L130 | W33-L126 HydrophobicContact CH2-CD2 4.09Å; W33-L126 HydrophobicContact CZ2-CD2 3.64Å; L114-L126 HydrophobicContact CD2-CD1 4.05Å; L114-L126 HydrophobicContact CD2-CG 3.98Å; Y117-L126 HydrophobicContact CD2-CB 4.2Å; L118-L126 HydrophobicContact CD1-CD1 4.37Å; L118-L126 HydrophobicContact CD2-CD1 3.72Å; L118-L126 HydrophobicContact CG-CD1 3.59Å; Q122-L126 WeakPolarHBondContact O-CB 3.42Å; Q122-L126 PolarHBondContact O-N 3.37Å; Q122-L126 VanDerWaalsContact O-N 3.11Å; N124-L126 PolarHBondContact O-N 3.47Å; L126-L130 HydrophobicContact CD2-CD1 3.65Å; L126-L130 HydrophobicContact CG-CD1 3.98Å; L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 WeakPolarHBondContact O-CD1 3.46Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.37Å; L126-L130 PolarHBondContact O-N 2.74Å |
| 127 | N | 90.3 | Very high | 90.1 | Very high | 45 Ų | 45 | 71.6 Ų | 71.6 | 24% | 0.241 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68 | -40.6 | 178.6 | -76.1 | -68 | 0 | 0 | 0 | 111.2 | E123 N124 L129 L130 N131 | E123-N127 WeakPolarHBondContact O-CB 3.21Å; E123-N127 PolarHBondContact O-N 2.65Å; E123-N127 PolarHBondContact O-ND2 2.88Å; N124-N127 PolarHBondContact O-N 2.7Å; N124-N127 VanDerWaalsContact O-N 3.15Å; N127-L129 PolarHBondContact O-N 2.95Å; N127-L130 PolarHBondContact O-N 3.03Å; N127-N131 WeakPolarHBondContact O-CB 3.44Å; N127-N131 VanDerWaalsContact O-CG 3.24Å; N127-N131 PolarHBondContact O-N 3.29Å; N127-N131 PolarHBondContact O-ND2 2.98Å |
| 128 | D | 90.7 | Very high | 90.3 | Very high | 100 Ų | 100 | 72.6 Ų | 72.6 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.8 | -73.1 | -17.1 | 0 | 0 | 0 | 111.9 | N124 S132 | N124-D128 WeakPolarHBondContact O-CB 3.31Å; N124-D128 PolarHBondContact O-N 2.95Å; D128-S132 WeakPolarHBondContact O-CB 3.28Å; D128-S132 PolarHBondContact O-N 3.08Å; D128-S132 PolarHBondContact O-OG 3.2Å |
| 129 | L | 91.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.016 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.1 | 173.8 | 59.6 | 0 | 0 | 0 | 112.2 | L110 T113 L114 Y117 D125 N127 L133 L147 | L110-L129 HydrophobicContact CD1-CD1 4.08Å; L110-L129 HydrophobicContact CD1-CD2 3.89Å; L110-L129 HydrophobicContact CD1-CG 4.15Å; T113-L129 HydrophobicContact CG2-CD2 4.07Å; L114-L129 HydrophobicContact CD2-CD2 4.05Å; Y117-L129 HydrophobicContact CD2-CD2 4.3Å; Y117-L129 HydrophobicContact CE2-CD2 3.78Å; D125-L129 WeakPolarHBondContact O-CB 3.4Å; D125-L129 PolarHBondContact O-N 2.97Å; D125-L129 VanDerWaalsContact O-N 3.07Å; N127-L129 PolarHBondContact O-N 2.95Å; L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 PolarHBondContact O-N 3.11Å; L129-L133 VanDerWaalsContact O-N 3.12Å; L129-L147 HydrophobicContact CD1-CB 3.61Å; L129-L147 HydrophobicContact CD1-CD1 3.66Å; L129-L147 HydrophobicContact CD1-CG 4.29Å |
| 130 | L | 92.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.5 | -44.8 | -179 | -72.2 | 166.7 | 0 | 0 | 0 | 112.4 | F13 V16 W33 F35 L114 L126 N127 L133 Y134 | F13-L130 HydrophobicContact CZ-CD2 4.09Å; V16-L130 HydrophobicContact CG2-CD2 3.95Å; W33-L130 HydrophobicContact CH2-CD1 3.53Å; W33-L130 HydrophobicContact CZ2-CD1 3.84Å; F35-L130 HydrophobicContact CB-CD1 4.15Å; F35-L130 HydrophobicContact CD1-CB 3.97Å; F35-L130 HydrophobicContact CD1-CD1 4.47Å; F35-L130 HydrophobicContact CD2-CB 4.07Å; F35-L130 HydrophobicContact CD2-CD1 4.19Å; F35-L130 HydrophobicContact CE1-CB 3.88Å; F35-L130 HydrophobicContact CE2-CB 3.94Å; F35-L130 HydrophobicContact CG-CB 4.1Å; F35-L130 HydrophobicContact CG-CD1 4.01Å; F35-L130 HydrophobicContact CZ-CB 3.86Å; L114-L130 HydrophobicContact CD1-CD2 4.14Å; L114-L130 HydrophobicContact CD2-CD1 4.16Å; L114-L130 HydrophobicContact CD2-CD2 3.98Å; L114-L130 HydrophobicContact CD2-CG 3.95Å; L126-L130 HydrophobicContact CD2-CD1 3.65Å; L126-L130 HydrophobicContact CG-CD1 3.98Å; L126-L130 WeakPolarHBondContact O-CB 3.47Å; L126-L130 WeakPolarHBondContact O-CD1 3.46Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.37Å; L126-L130 PolarHBondContact O-N 2.74Å; N127-L130 PolarHBondContact O-N 3.03Å; L130-L133 PolarHBondContact O-N 2.91Å; L130-Y134 WeakPolarHBondContact O-CB 3.48Å; L130-Y134 PolarHBondContact O-N 2.85Å |
| 131 | N | 92.4 | Very high | 90.7 | Very high | 65 Ų | 65 | 71 Ų | 71 | 35% | 0.348 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.1 | -51.9 | 172.3 | -73.8 | -37.6 | 0 | 0 | 0 | 110.4 | F35 N127 L133 Y134 E135 | F35-N131 WeakPolarHBondContact CE2-OD1 3.42Å; F35-N131 VanDerWaalsContact CZ-OD1 3.25Å; F35-N131 WeakPolarHBondContact CZ-OD1 3.42Å; N127-N131 WeakPolarHBondContact O-CB 3.44Å; N127-N131 VanDerWaalsContact O-CG 3.24Å; N127-N131 PolarHBondContact O-N 3.29Å; N127-N131 PolarHBondContact O-ND2 2.98Å; N131-L133 PolarHBondContact O-N 3.15Å; N131-Y134 PolarHBondContact O-N 2.87Å; N131-Y134 VanDerWaalsContact O-N 3.1Å; N131-E135 PolarHBondContact O-N 3.09Å |
| 132 | S | 92.3 | Very high | 90.9 | Very high | 55 Ų | 55 | 70.1 Ų | 70.1 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.2 | -32.7 | -179.9 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | D128 | D128-S132 WeakPolarHBondContact O-CB 3.28Å; D128-S132 PolarHBondContact O-N 3.08Å; D128-S132 PolarHBondContact O-OG 3.2Å |
| 133 | L | 92.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -81.8 | -35.2 | 175.8 | -178.8 | 63.1 | 0 | 0 | 0 | 112.6 | T12 F13 L110 L129 L130 N131 L136 L147 F153 | T12-L133 HydrophobicContact CG2-CD1 4.02Å; T12-L133 PolarHBondContact OG1-O 3.3Å; F13-L133 HydrophobicContact CD1-CD2 3.77Å; F13-L133 HydrophobicContact CD1-CG 3.81Å; F13-L133 HydrophobicContact CE1-CB 3.98Å; F13-L133 HydrophobicContact CE1-CD2 3.78Å; F13-L133 HydrophobicContact CE1-CG 3.72Å; L110-L133 HydrophobicContact CD2-CD2 3.38Å; L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 PolarHBondContact O-N 3.11Å; L129-L133 VanDerWaalsContact O-N 3.12Å; L130-L133 PolarHBondContact O-N 2.91Å; N131-L133 PolarHBondContact O-N 3.15Å; L133-L136 HydrophobicContact CD1-CD2 4.32Å; L133-L136 WeakPolarHBondContact O-CB 3.14Å; L133-L136 PolarHBondContact O-N 2.88Å; L133-L147 HydrophobicContact CB-CD1 4.27Å; L133-L147 HydrophobicContact CB-CD2 4.05Å; L133-L147 HydrophobicContact CD1-CD1 4.1Å; L133-L147 HydrophobicContact CD1-CD2 3.9Å; L133-L147 HydrophobicContact CD2-CD1 4.46Å; L133-F153 HydrophobicContact CD1-CE1 4.46Å |
| 134 | Y | 92.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 67.3 Ų | 67.3 | 17% | 0.169 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -77.6 | -29.5 | -176.4 | -174.2 | -110.8 | 0 | 0 | 0 | 113.5 | R11 F13 F35 P36 L130 N131 | R11-Y134 PolarHBondContact NE-OH 3.03Å; R11-Y134 VanDerWaalsContact NH1-CE1 3.31Å; R11-Y134 PolarHBondContact NH1-O 2.87Å; R11-Y134 VanDerWaalsContact NH1-O 3.13Å; F13-Y134 HydrophobicContact CD2-CD2 4.36Å; F13-Y134 HydrophobicContact CE1-CD2 4.23Å; F13-Y134 AromaticContact CE2-CD2 3.87Å; F13-Y134 HydrophobicContact CE2-CD2 3.87Å; F13-Y134 AromaticContact CZ-CD2 3.83Å; F13-Y134 HydrophobicContact CZ-CD2 3.83Å; F13-Y134 HydrophobicContact CZ-CG 4.18Å; F35-Y134 HydrophobicContact CE1-CD1 4.26Å; F35-Y134 HydrophobicContact CE1-CD2 4.34Å; F35-Y134 AromaticContact CE1-CG 3.93Å; F35-Y134 HydrophobicContact CE1-CG 3.93Å; P36-Y134 HydrophobicContact CB-CE1 4.45Å; P36-Y134 HydrophobicContact CG-CE1 4.41Å; P36-Y134 HydrophobicContact CG-CE2 4.32Å; L130-Y134 WeakPolarHBondContact O-CB 3.48Å; L130-Y134 PolarHBondContact O-N 2.85Å; N131-Y134 PolarHBondContact O-N 2.87Å; N131-Y134 VanDerWaalsContact O-N 3.1Å |
| 135 | E | 92.6 | Very high | 91.4 | Very high | 158 Ų | 158 | 61.6 Ų | 61.6 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -82.3 | -15.5 | 170.3 | -65.5 | -168.9 | 160.8 | 0 | 0 | 113 | N131 P137 | N131-E135 PolarHBondContact O-N 3.09Å; E135-P137 VanDerWaalsContact O-CD 3.32Å; E135-P137 WeakPolarHBondContact O-CD 3.5Å |
| 136 | L | 92.3 | Very high | 91.3 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -64.4 | 118.2 | -179.8 | -172.7 | 73.9 | 0 | 0 | 0 | 110.6 | T12 L133 V138 P139 V145 L147 | T12-L136 HydrophobicContact CG2-CB 4.1Å; T12-L136 HydrophobicContact CG2-CD2 4.06Å; T12-L136 HydrophobicContact CG2-CG 4.39Å; L133-L136 HydrophobicContact CD1-CD2 4.32Å; L133-L136 WeakPolarHBondContact O-CB 3.14Å; L133-L136 PolarHBondContact O-N 2.88Å; L136-V138 PolarHBondContact O-N 2.78Å; L136-P139 HydrophobicContact CD2-CG 4.3Å; L136-V145 HydrophobicContact CD1-CG1 4.33Å; L136-V145 HydrophobicContact CD2-CG1 3.53Å; L136-V145 HydrophobicContact CD2-CG2 4.13Å; L136-L147 HydrophobicContact CD2-CD2 4.47Å |
| 137 | P | 93.1 | Very high | 90.8 | Very high | 103 Ų | 103 | 65.2 Ų | 65.2 | 67% | 0.669 | 35% | 0.349 | S | S | * | . | trans | -65.5 | 136.9 | 171.2 | 28.4 | -34.4 | 0 | 0 | 0 | 109.5 | E135 P139 | E135-P137 VanDerWaalsContact O-CD 3.32Å; E135-P137 WeakPolarHBondContact O-CD 3.5Å; P137-P139 VanDerWaalsContact O-CD 3.28Å; P137-P139 WeakPolarHBondContact O-CD 3.33Å | ||
| 138 | V | 93 | Very high | 89.9 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | trans | -50.2 | 110.5 | -170.5 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | P9 R11 L101 L136 | P9-V138 HydrophobicContact CG-CG2 4.3Å; R11-V138 WeakPolarHBondContact O-CG2 2.99Å; L101-V138 HydrophobicContact CD1-CG1 4.12Å; L101-V138 HydrophobicContact CD2-CG1 4.19Å; L136-V138 PolarHBondContact O-N 2.78Å | ||
| 139 | P | 92.3 | Very high | 88.7 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 147 | -173.1 | 29.3 | -37.7 | 0 | 0 | 0 | 111.2 | W103 L136 P137 T143 V145 A155 | W103-P139 HydrophobicContact CH2-CG 3.62Å; W103-P139 HydrophobicContact CZ2-CG 4.37Å; L136-P139 HydrophobicContact CD2-CG 4.3Å; P137-P139 VanDerWaalsContact O-CD 3.28Å; P137-P139 WeakPolarHBondContact O-CD 3.33Å; P139-T143 HydrophobicContact CB-CG2 4.49Å; P139-V145 HydrophobicContact CB-CG2 3.91Å; P139-V145 HydrophobicContact CG-CG2 3.9Å; P139-A155 HydrophobicContact CB-CB 4.13Å; P139-A155 HydrophobicContact CG-CB 3.92Å |
| 140 | K | 90.2 | Very high | 87.5 | Confident | 168 Ų | 168 | 74.4 Ų | 74.4 | 73% | 0.73 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 151.2 | 176.6 | -64.8 | 176.4 | -178.4 | 174.3 | 0 | 110.3 | T143 A155 | K140-T143 WeakPolarHBondContact O-CB 3.37Å; K140-T143 PolarHBondContact O-N 3.5Å; K140-T143 PolarHBondContact O-OG1 3.27Å; K140-A155 WeakPolarHBondContact O-CB 3.48Å |
| 141 | P | 88.9 | Confident | 86.8 | Confident | 60 Ų | 60 | 75.3 Ų | 75.3 | 39% | 0.39 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | 143 | 173.5 | -30.2 | 36.6 | 0 | 0 | 0 | 113.3 | T143 D157 | P141-T143 PolarHBondContact O-N 2.75Å; P141-D157 HydrophobicContact CB-CB 3.96Å |
| 142 | F | 89.6 | Confident | 86.5 | Confident | 146 Ų | 146 | 80.8 Ų | 80.8 | 64% | 0.64 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 6.5 | -174.8 | -44.4 | -70.9 | 0 | 0 | 0 | 116 | A155 D157 | F142-A155 PolarHBondContact N-O 3.35Å; F142-D157 HydrophobicContact CE1-CB 4.05Å; F142-D157 HydrophobicContact CE2-CB 3.73Å; F142-D157 HydrophobicContact CZ-CB 3.38Å |
| 143 | T | 92.4 | Very high | 86.5 | Confident | 56 Ų | 56 | 79.3 Ų | 79.3 | 34% | 0.344 | 41% | 0.411 | S | S | . | . | trans | -75.7 | 126.5 | 171.8 | -50.4 | 0 | 0 | 0 | 0 | 110 | P139 K140 P141 A155 | P139-T143 HydrophobicContact CB-CG2 4.49Å; K140-T143 WeakPolarHBondContact O-CB 3.37Å; K140-T143 PolarHBondContact O-N 3.5Å; K140-T143 PolarHBondContact O-OG1 3.27Å; P141-T143 PolarHBondContact O-N 2.75Å; T143-A155 PolarHBondContact O-N 2.88Å | ||
| 144 | P | 90 | Very high | 86.4 | Confident | 92 Ų | 92 | 84 Ų | 84 | 60% | 0.597 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 137.4 | 169.6 | 31.1 | -33.4 | 0 | 0 | 0 | 110.6 | F153 | P144-F153 WeakPolarHBondContact CA-O 3.31Å |
| 145 | V | 90.2 | Very high | 86.3 | Confident | 9 Ų | 9 | 82 Ų | 82 | 6% | 0.055 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126 | 179.1 | 177 | 0 | 0 | 0 | 0 | 108.3 | L136 P139 L147 Y152 F153 | L136-V145 HydrophobicContact CD1-CG1 4.33Å; L136-V145 HydrophobicContact CD2-CG1 3.53Å; L136-V145 HydrophobicContact CD2-CG2 4.13Å; P139-V145 HydrophobicContact CB-CG2 3.91Å; P139-V145 HydrophobicContact CG-CG2 3.9Å; V145-L147 HydrophobicContact CG1-CD2 3.72Å; V145-L147 HydrophobicContact CG1-CG 4.21Å; V145-Y152 CarbonylContact O-C 3.54Å; V145-Y152 WeakPolarHBondContact O-CA 3.5Å; V145-Y152 WeakPolarHBondContact O-CB 3.48Å; V145-F153 HydrophobicContact CB-CD1 4.06Å; V145-F153 HydrophobicContact CB-CD2 4.43Å; V145-F153 HydrophobicContact CB-CE1 3.69Å; V145-F153 HydrophobicContact CB-CE2 4.1Å; V145-F153 HydrophobicContact CB-CG 4.42Å; V145-F153 HydrophobicContact CB-CZ 3.72Å; V145-F153 HydrophobicContact CG1-CD1 4.21Å; V145-F153 HydrophobicContact CG1-CE1 3.51Å; V145-F153 HydrophobicContact CG1-CZ 3.75Å; V145-F153 HydrophobicContact CG2-CE1 4.37Å; V145-F153 HydrophobicContact CG2-CE2 4.02Å; V145-F153 HydrophobicContact CG2-CZ 3.87Å; V145-F153 PolarHBondContact N-O 3.41Å; V145-F153 PolarHBondContact O-N 3.29Å |
| 146 | N | 86.4 | Confident | 86.2 | Confident | 131 Ų | 131 | 76.8 Ų | 76.8 | 70% | 0.701 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 121.2 | 168.7 | -60.1 | -28.7 | 0 | 0 | 0 | 107.6 | Y152 | N146-Y152 VanDerWaalsContact OD1-CB 3.22Å; N146-Y152 WeakPolarHBondContact OD1-CB 3.32Å |
| 147 | L | 79.6 | Confident | 85.9 | Confident | 20 Ų | 20 | 77.5 Ų | 77.5 | 11% | 0.105 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -33.5 | 175 | -58.5 | 178.4 | 0 | 0 | 0 | 111.8 | L110 L129 L133 L136 V145 S151 F153 | L110-L147 HydrophobicContact CD1-CD1 4.33Å; L129-L147 HydrophobicContact CD1-CB 3.61Å; L129-L147 HydrophobicContact CD1-CD1 3.66Å; L129-L147 HydrophobicContact CD1-CG 4.29Å; L133-L147 HydrophobicContact CB-CD1 4.27Å; L133-L147 HydrophobicContact CB-CD2 4.05Å; L133-L147 HydrophobicContact CD1-CD1 4.1Å; L133-L147 HydrophobicContact CD1-CD2 3.9Å; L133-L147 HydrophobicContact CD2-CD1 4.46Å; L136-L147 HydrophobicContact CD2-CD2 4.47Å; V145-L147 HydrophobicContact CG1-CD2 3.72Å; V145-L147 HydrophobicContact CG1-CG 4.21Å; L147-S151 PolarHBondContact N-O 2.95Å; L147-F153 HydrophobicContact CD1-CD1 4.35Å; L147-F153 HydrophobicContact CD1-CE1 3.95Å; L147-F153 HydrophobicContact CD2-CE1 4.26Å; L147-F153 HydrophobicContact CG-CD1 4.49Å; L147-F153 HydrophobicContact CG-CE1 4.05Å |
| 148 | S | 72.1 | Confident | 85.4 | Confident | 44 Ų | 44 | 77 Ų | 77 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 174.6 | 176.9 | 82.9 | 0 | 0 | 0 | 0 | 110.5 | H150 S151 | S148-H150 PolarHBondContact O-N 2.82Å; S148-H150 PolarHBondContact OG-N 3.33Å; S148-S151 PolarHBondContact N-O 3.07Å; S148-S151 PolarHBondContact O-N 3.12Å; S148-S151 VanDerWaalsContact OG-CB 3.31Å; S148-S151 WeakPolarHBondContact OG-CB 3.37Å; S148-S151 PolarHBondContact OG-N 3.43Å; S148-S151 PolarHBondContact OG-OG 2.81Å |
| 149 | V | 65.4 | Low | 84.9 | Confident | 136 Ų | 136 | 79.9 Ų | 79.9 | 82% | 0.824 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -27.1 | 175.1 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 150 | H | 66.4 | Low | 84.6 | Confident | 161 Ų | 161 | 81.1 Ų | 81.1 | 75% | 0.745 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | 13 | -176.2 | -54.9 | 105.6 | 0 | 0 | 0 | 113.2 | S148 | S148-H150 PolarHBondContact O-N 2.82Å; S148-H150 PolarHBondContact OG-N 3.33Å |
| 151 | S | 78.2 | Confident | 84.6 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 14% | 0.14 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 105.2 | -176 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | L147 S148 | L147-S151 PolarHBondContact N-O 2.95Å; S148-S151 PolarHBondContact N-O 3.07Å; S148-S151 PolarHBondContact O-N 3.12Å; S148-S151 VanDerWaalsContact OG-CB 3.31Å; S148-S151 WeakPolarHBondContact OG-CB 3.37Å; S148-S151 PolarHBondContact OG-N 3.43Å; S148-S151 PolarHBondContact OG-OG 2.81Å |
| 152 | Y | 86.4 | Confident | 84.8 | Confident | 180 Ų | 180 | 73.2 Ų | 73.2 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 154.7 | 172.2 | 75.7 | -84.9 | 0 | 0 | 0 | 111.1 | V145 N146 | V145-Y152 CarbonylContact O-C 3.54Å; V145-Y152 WeakPolarHBondContact O-CA 3.5Å; V145-Y152 WeakPolarHBondContact O-CB 3.48Å; N146-Y152 VanDerWaalsContact OD1-CB 3.22Å; N146-Y152 WeakPolarHBondContact OD1-CB 3.32Å |
| 153 | F | 91.1 | Very high | 85 | Confident | 25 Ų | 25 | 68.3 Ų | 68.3 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 171.1 | 171.7 | 67.7 | -87.1 | 0 | 0 | 0 | 110.8 | W103 I106 L133 P144 V145 L147 | W103-F153 HydrophobicContact CE3-CE2 4.25Å; W103-F153 HydrophobicContact CH2-CE2 4.22Å; W103-F153 AromaticContact CZ3-CE2 3.69Å; W103-F153 HydrophobicContact CZ3-CE2 3.69Å; W103-F153 AromaticContact CZ3-CZ 3.92Å; W103-F153 HydrophobicContact CZ3-CZ 3.92Å; I106-F153 HydrophobicContact CD1-CB 4.44Å; I106-F153 HydrophobicContact CD1-CD2 3.52Å; I106-F153 HydrophobicContact CD1-CE2 4.08Å; I106-F153 HydrophobicContact CD1-CG 4.25Å; I106-F153 HydrophobicContact CG1-CB 4.25Å; I106-F153 HydrophobicContact CG1-CD2 4.13Å; I106-F153 HydrophobicContact CG1-CG 4.38Å; I106-F153 HydrophobicContact CG2-CB 4.43Å; I106-F153 HydrophobicContact CG2-CD1 4.25Å; I106-F153 HydrophobicContact CG2-CD2 4.1Å; I106-F153 HydrophobicContact CG2-CE2 4.39Å; I106-F153 HydrophobicContact CG2-CG 4.02Å; L133-F153 HydrophobicContact CD1-CE1 4.46Å; P144-F153 WeakPolarHBondContact CA-O 3.31Å; V145-F153 HydrophobicContact CB-CD1 4.06Å; V145-F153 HydrophobicContact CB-CD2 4.43Å; V145-F153 HydrophobicContact CB-CE1 3.69Å; V145-F153 HydrophobicContact CB-CE2 4.1Å; V145-F153 HydrophobicContact CB-CG 4.42Å; V145-F153 HydrophobicContact CB-CZ 3.72Å; V145-F153 HydrophobicContact CG1-CD1 4.21Å; V145-F153 HydrophobicContact CG1-CE1 3.51Å; V145-F153 HydrophobicContact CG1-CZ 3.75Å; V145-F153 HydrophobicContact CG2-CE1 4.37Å; V145-F153 HydrophobicContact CG2-CE2 4.02Å; V145-F153 HydrophobicContact CG2-CZ 3.87Å; V145-F153 PolarHBondContact N-O 3.41Å; V145-F153 PolarHBondContact O-N 3.29Å; L147-F153 HydrophobicContact CD1-CD1 4.35Å; L147-F153 HydrophobicContact CD1-CE1 3.95Å; L147-F153 HydrophobicContact CD2-CE1 4.26Å; L147-F153 HydrophobicContact CG-CD1 4.49Å; L147-F153 HydrophobicContact CG-CE1 4.05Å |
| 154 | I | 91.3 | Very high | 85.1 | Confident | 100 Ų | 100 | 65.9 Ų | 65.9 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.2 | 171 | -60.3 | 174.7 | 0 | 0 | 0 | 106.8 | ||
| 155 | A | 90.5 | Very high | 85.3 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | trans | -61.2 | 126.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | W103 P139 K140 F142 T143 | W103-A155 HydrophobicContact CH2-CB 4.5Å; W103-A155 HydrophobicContact CZ2-CB 4.36Å; P139-A155 HydrophobicContact CB-CB 4.13Å; P139-A155 HydrophobicContact CG-CB 3.92Å; K140-A155 WeakPolarHBondContact O-CB 3.48Å; F142-A155 PolarHBondContact N-O 3.35Å; T143-A155 PolarHBondContact O-N 2.88Å | ||
| 156 | P | 89.8 | Confident | 85.4 | Confident | 49 Ų | 49 | 69.1 Ų | 69.1 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | trans | -78.9 | 154.2 | -172.3 | 32.5 | -35.4 | 0 | 0 | 0 | 111.6 | W103 I106 | W103-P156 HydrophobicContact CB-CG 4.41Å; W103-P156 HydrophobicContact CD2-CG 4.26Å; W103-P156 HydrophobicContact CG-CG 3.78Å; I106-P156 HydrophobicContact CD1-CG 4.15Å | ||
| 157 | D | 86.7 | Confident | 85.7 | Confident | 57 Ų | 57 | 64 Ų | 64 | 31% | 0.305 | 35% | 0.349 | S | S | . | . | trans | -89.3 | 106.1 | 169.5 | -175.3 | 12.4 | 0 | 0 | 0 | 111.1 | P141 F142 N159 G160 | P141-D157 HydrophobicContact CB-CB 3.96Å; F142-D157 HydrophobicContact CE1-CB 4.05Å; F142-D157 HydrophobicContact CE2-CB 3.73Å; F142-D157 HydrophobicContact CZ-CB 3.38Å; D157-N159 PolarHBondContact O-N 2.84Å; D157-N159 VanDerWaalsContact O-N 3.16Å; D157-N159 WeakPolarHBondContact OD1-CB 3.31Å; D157-N159 PolarHBondContact OD1-N 2.84Å; D157-N159 PolarHBondContact OD1-ND2 3.4Å; D157-G160 PolarHBondContact O-N 2.88Å | ||
| 158 | I | 82.8 | Confident | 86.5 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -6.1 | 177.6 | 63.9 | 172.7 | 0 | 0 | 0 | 113.9 | P102 | P102-I158 HydrophobicContact CG-CG2 3.91Š|
| 159 | N | 82.7 | Confident | 87.6 | Confident | 111 Ų | 111 | 65.2 Ų | 65.2 | 59% | 0.594 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -10 | 175.7 | -52.5 | -85.3 | 0 | 0 | 0 | 112.8 | D157 | D157-N159 PolarHBondContact O-N 2.84Å; D157-N159 VanDerWaalsContact O-N 3.16Å; D157-N159 WeakPolarHBondContact OD1-CB 3.31Å; D157-N159 PolarHBondContact OD1-N 2.84Å; D157-N159 PolarHBondContact OD1-ND2 3.4Å |
| 160 | G | 85 | Confident | 89.1 | Confident | 44 Ų | 44 | 58.9 Ų | 58.9 | 45% | 0.454 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -72.1 | 152.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D157 | D157-G160 PolarHBondContact O-N 2.88Š|
| 161 | L | 90.9 | Very high | 90.6 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 134.3 | 167.3 | -66.4 | -180 | 0 | 0 | 0 | 109.5 | F217 A307 R308 L311 V381 | L161-F217 HydrophobicContact CD2-CD1 4.13Å; L161-F217 HydrophobicContact CD2-CE1 4.29Å; L161-A307 HydrophobicContact CB-CB 4.13Å; L161-R308 HydrophobicContact CD1-CB 4.19Å; L161-L311 HydrophobicContact CD1-CD2 4.13Å; L161-L311 HydrophobicContact CD2-CD2 4.4Å; L161-V381 HydrophobicContact CD1-CG1 4.12Å; L161-V381 HydrophobicContact CG-CG1 4.43Å; L161-V381 HydrophobicContact CG-CG2 4.47Å |
| 162 | P | 93.1 | Very high | 91.4 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 142.1 | 173.5 | 24 | -32.2 | 0 | 0 | 0 | 111.3 | L170 A307 | P162-L170 HydrophobicContact CB-CB 4.38Å; P162-L170 HydrophobicContact CB-CD2 3.94Å; P162-L170 HydrophobicContact CG-CD2 3.99Å; P162-A307 HydrophobicContact CG-CB 4.12Å; P162-A307 WeakPolarHBondContact O-CB 3.37Å |
| 163 | T | 93.9 | Very high | 91.9 | Very high | 43 Ų | 43 | 43.9 Ų | 43.9 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | trans | -118.4 | 155.2 | -177.6 | 58 | 0 | 0 | 0 | 0 | 111.7 | E166 S167 G303 | T163-E166 WeakPolarHBondContact CB-OE2 3.4Å; T163-E166 PolarHBondContact O-N 3.02Å; T163-E166 PolarHBondContact OG1-OE2 3.02Å; T163-S167 WeakPolarHBondContact O-CB 3.29Å; T163-S167 PolarHBondContact O-N 2.77Å; T163-G303 CarbonylContact C-O 3.54Å; T163-G303 VanDerWaalsContact CA-O 3.28Å; T163-G303 WeakPolarHBondContact CA-O 3.34Å | ||
| 164 | I | 94.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -109.6 | 128.1 | 174.3 | -59.7 | 178.5 | 0 | 0 | 0 | 108.4 | L170 T171 F174 A301 T302 G303 V306 | I164-L170 HydrophobicContact CD1-CD2 4.37Å; I164-L170 HydrophobicContact CD1-CG 4.09Å; I164-L170 HydrophobicContact CG1-CD2 4.02Å; I164-L170 HydrophobicContact CG1-CG 3.97Å; I164-T171 HydrophobicContact CG2-CG2 4.04Å; I164-F174 HydrophobicContact CD1-CB 3.93Å; I164-F174 HydrophobicContact CD1-CD1 3.87Å; I164-F174 HydrophobicContact CD1-CG 4Å; I164-A301 VanDerWaalsContact CG2-O 3.25Å; I164-A301 WeakPolarHBondContact CG2-O 3.46Å; I164-T302 CarbonylContact O-C 3.55Å; I164-T302 WeakPolarHBondContact O-CA 3.29Å; I164-G303 PolarHBondContact N-O 3.37Å; I164-G303 PolarHBondContact O-N 2.77Å; I164-V306 HydrophobicContact CD1-CB 4.25Å; I164-V306 HydrophobicContact CD1-CG2 3.66Å |
| 165 | P | 93.7 | Very high | 92.4 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -93.2 | 2.8 | 11.3 | 37.2 | -37 | 0 | 0 | 0 | 115.5 | S167 T171 I537 | P165-S167 PolarHBondContact O-N 3.24Å; P165-T171 WeakPolarHBondContact CA-OG1 3.34Å; P165-T171 HydrophobicContact CB-CG2 4.44Å; P165-T171 PolarHBondContact O-OG1 2.81Å; P165-I537 HydrophobicContact CB-CG2 4.46Å |
| 166 | E | 91.9 | Very high | 92.7 | Very high | 114 Ų | 114 | 44.9 Ų | 44.9 | 53% | 0.533 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -38 | -165.2 | -56.1 | 78.2 | -174.1 | 0 | 0 | 113.5 | E105 T163 | E105-E166 WeakPolarHBondContact CG-O 3.37Å; T163-E166 WeakPolarHBondContact CB-OE2 3.4Å; T163-E166 PolarHBondContact O-N 3.02Å; T163-E166 PolarHBondContact OG1-OE2 3.02Å |
| 167 | S | 94.4 | Very high | 93.1 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 16% | 0.161 | 24% | 0.24 | C | C | . | . | trans | -84.7 | 112.6 | 172.8 | -175.2 | 0 | 0 | 0 | 0 | 110 | E105 T163 P165 N169 T171 | E105-S167 WeakPolarHBondContact OE1-CA 3.35Å; T163-S167 WeakPolarHBondContact O-CB 3.29Å; T163-S167 PolarHBondContact O-N 2.77Å; P165-S167 PolarHBondContact O-N 3.24Å; S167-N169 VanDerWaalsContact C-N 3.33Å; S167-N169 PolarHBondContact O-N 3.46Å; S167-T171 VanDerWaalsContact O-CB 3.3Å; S167-T171 WeakPolarHBondContact O-CB 3.41Å; S167-T171 PolarHBondContact O-N 3.46Å; S167-T171 VanDerWaalsContact O-N 3.08Å; S167-T171 PolarHBondContact O-OG1 3.36Å | ||
| 168 | R | 94.8 | Very high | 93.6 | Very high | 80 Ų | 80 | 44.1 Ų | 44.1 | 30% | 0.302 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.6 | -44 | -178.2 | -176.9 | 177.8 | 177.7 | 129.5 | 9.6 | 111.5 | E105 L170 T171 E172 | E105-R168 PolarHBondContact OE1-N 3.47Å; R168-L170 PolarHBondContact O-N 2.95Å; R168-T171 PolarHBondContact O-N 2.82Å; R168-E172 IonicContact CZ-OE2 2.62Å; R168-E172 VanDerWaalsContact CZ-OE2 3.32Å; R168-E172 IonicContact NE-OE2 2.72Å; R168-E172 PolarHBondContact NE-OE2 3Å; R168-E172 IonicContact NH2-OE1 3.13Å; R168-E172 IonicContact NH2-OE2 3.78Å; R168-E172 PolarHBondContact NH2-OE2 3.31Å; R168-E172 WeakPolarHBondContact O-CB 3.47Å; R168-E172 PolarHBondContact O-N 3.09Å |
| 169 | N | 96.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | -174.9 | -64.8 | -23 | 0 | 0 | 0 | 112.1 | F104 S167 Y173 H210 | F104-N169 WeakPolarHBondContact CD1-ND2 3.28Å; F104-N169 WeakPolarHBondContact CD2-ND2 3.4Å; F104-N169 WeakPolarHBondContact CE1-ND2 3.34Å; F104-N169 WeakPolarHBondContact CE2-ND2 3.26Å; F104-N169 WeakPolarHBondContact CG-ND2 3.27Å; F104-N169 VanDerWaalsContact CZ-ND2 3.28Å; F104-N169 WeakPolarHBondContact CZ-ND2 3.39Å; S167-N169 VanDerWaalsContact C-N 3.33Å; S167-N169 PolarHBondContact O-N 3.46Å; N169-Y173 VanDerWaalsContact O-CB 3.22Å; N169-Y173 WeakPolarHBondContact O-CB 3.4Å; N169-Y173 PolarHBondContact O-N 2.95Å; N169-Y173 VanDerWaalsContact O-N 3.07Å; N169-H210 HydrophobicContact CB-CB 4.08Å |
| 170 | L | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.8 | -38.5 | 178.2 | -179.5 | 61.3 | 0 | 0 | 0 | 111.7 | P162 I164 R168 Y173 F174 L215 V306 A307 | P162-L170 HydrophobicContact CB-CB 4.38Å; P162-L170 HydrophobicContact CB-CD2 3.94Å; P162-L170 HydrophobicContact CG-CD2 3.99Å; I164-L170 HydrophobicContact CD1-CD2 4.37Å; I164-L170 HydrophobicContact CD1-CG 4.09Å; I164-L170 HydrophobicContact CG1-CD2 4.02Å; I164-L170 HydrophobicContact CG1-CG 3.97Å; R168-L170 PolarHBondContact O-N 2.95Å; L170-Y173 HydrophobicContact CD1-CD1 4.47Å; L170-F174 VanDerWaalsContact O-CB 3.3Å; L170-F174 WeakPolarHBondContact O-CB 3.49Å; L170-F174 PolarHBondContact O-N 2.63Å; L170-L215 HydrophobicContact CD1-CD1 4.5Å; L170-L215 HydrophobicContact CD1-CD2 4.06Å; L170-L215 HydrophobicContact CD1-CG 4.49Å; L170-V306 HydrophobicContact CD1-CG1 4.05Å; L170-A307 HydrophobicContact CD2-CB 4.3Å |
| 171 | T | 96.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65 | -51.9 | 179.2 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | I164 P165 S167 R168 Y173 F174 V175 | I164-T171 HydrophobicContact CG2-CG2 4.04Å; P165-T171 WeakPolarHBondContact CA-OG1 3.34Å; P165-T171 HydrophobicContact CB-CG2 4.44Å; P165-T171 PolarHBondContact O-OG1 2.81Å; S167-T171 VanDerWaalsContact O-CB 3.3Å; S167-T171 WeakPolarHBondContact O-CB 3.41Å; S167-T171 PolarHBondContact O-N 3.46Å; S167-T171 VanDerWaalsContact O-N 3.08Å; S167-T171 PolarHBondContact O-OG1 3.36Å; R168-T171 PolarHBondContact O-N 2.82Å; T171-Y173 VanDerWaalsContact C-N 3.32Å; T171-Y173 PolarHBondContact O-N 3.29Å; T171-F174 PolarHBondContact O-N 2.7Å; T171-V175 WeakPolarHBondContact O-CB 3.33Å; T171-V175 VanDerWaalsContact O-CG2 3.31Å; T171-V175 WeakPolarHBondContact O-CG2 3.16Å; T171-V175 PolarHBondContact O-N 2.76Å |
| 172 | E | 96.1 | Very high | 95.9 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.4 | -30.6 | -179 | -170.2 | 167.2 | 173.1 | 0 | 0 | 111.4 | R168 A176 S203 T204 A207 | R168-E172 IonicContact CZ-OE2 2.62Å; R168-E172 VanDerWaalsContact CZ-OE2 3.32Å; R168-E172 IonicContact NE-OE2 2.72Å; R168-E172 PolarHBondContact NE-OE2 3Å; R168-E172 IonicContact NH2-OE1 3.13Å; R168-E172 IonicContact NH2-OE2 3.78Å; R168-E172 PolarHBondContact NH2-OE2 3.31Å; R168-E172 WeakPolarHBondContact O-CB 3.47Å; R168-E172 PolarHBondContact O-N 3.09Å; E172-A176 WeakPolarHBondContact O-CB 3.19Å; E172-A176 PolarHBondContact O-N 3.13Å; E172-A176 VanDerWaalsContact O-N 3.13Å; E172-S203 VanDerWaalsContact OE1-C 3.24Å; E172-S203 VanDerWaalsContact OE1-CB 3.23Å; E172-S203 WeakPolarHBondContact OE1-CB 3.31Å; E172-S203 PolarHBondContact OE1-OG 2.99Å; E172-T204 HydrophobicContact CG-CG2 4.36Å; E172-T204 VanDerWaalsContact OE1-CA 3.24Å; E172-T204 WeakPolarHBondContact OE1-CA 3.43Å; E172-T204 PolarHBondContact OE1-N 2.79Å; E172-T204 PolarHBondContact OE1-OG1 3.16Å; E172-A207 HydrophobicContact CB-CB 3.78Å; E172-A207 HydrophobicContact CG-CB 4.04Å |
| 173 | Y | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -49.6 | 169 | 176.1 | -129.1 | 0 | 0 | 0 | 113.2 | N169 L170 T171 V175 A176 V177 M182 L185 C208 A212 L215 | N169-Y173 VanDerWaalsContact O-CB 3.22Å; N169-Y173 WeakPolarHBondContact O-CB 3.4Å; N169-Y173 PolarHBondContact O-N 2.95Å; N169-Y173 VanDerWaalsContact O-N 3.07Å; L170-Y173 HydrophobicContact CD1-CD1 4.47Å; T171-Y173 VanDerWaalsContact C-N 3.32Å; T171-Y173 PolarHBondContact O-N 3.29Å; Y173-V175 VanDerWaalsContact C-N 3.31Å; Y173-V175 PolarHBondContact O-N 2.83Å; Y173-A176 PolarHBondContact O-N 2.96Å; Y173-V177 HydrophobicContact CD2-CB 3.96Å; Y173-V177 HydrophobicContact CD2-CG2 3.68Å; Y173-V177 HydrophobicContact CE2-CB 3.77Å; Y173-V177 HydrophobicContact CE2-CG1 3.97Å; Y173-V177 HydrophobicContact CE2-CG2 3.71Å; Y173-V177 WeakPolarHBondContact O-CB 3.5Å; Y173-V177 PolarHBondContact O-N 3.48Å; Y173-M182 HydrophobicContact CD1-CE 3.93Å; Y173-M182 HydrophobicContact CE1-CE 3.45Å; Y173-M182 VanDerWaalsContact CE1-CE 3.45Å; Y173-M182 HydrophobicContact CE1-CG 4.36Å; Y173-L185 HydrophobicContact CE2-CD1 4.06Å; Y173-C208 HydrophobicContact CD2-CB 3.9Å; Y173-A212 HydrophobicContact CE1-CB 4.08Å; Y173-A212 HydrophobicContact CE2-CB 4.17Å; Y173-L215 HydrophobicContact CD1-CD1 4.31Å; Y173-L215 HydrophobicContact CE1-CD1 3.67Å |
| 174 | F | 96.9 | Very high | 96.3 | Very high | 40 Ų | 40 | 36 Ų | 36 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.8 | -28.1 | -177.6 | -177.4 | -107 | 0 | 0 | 0 | 113.2 | I164 L170 T171 M182 A301 V306 | I164-F174 HydrophobicContact CD1-CB 3.93Å; I164-F174 HydrophobicContact CD1-CD1 3.87Å; I164-F174 HydrophobicContact CD1-CG 4Å; L170-F174 VanDerWaalsContact O-CB 3.3Å; L170-F174 WeakPolarHBondContact O-CB 3.49Å; L170-F174 PolarHBondContact O-N 2.63Å; T171-F174 PolarHBondContact O-N 2.7Å; F174-M182 HydrophobicContact CD2-CE 3.91Å; F174-M182 HydrophobicContact CD2-SD 3.83Å; F174-M182 HydrophobicContact CE2-SD 4.31Å; F174-A301 HydrophobicContact CE1-CB 3.68Å; F174-A301 HydrophobicContact CZ-CB 4.17Å; F174-V306 HydrophobicContact CD1-CG2 4.33Å; F174-V306 HydrophobicContact CD2-CG1 4.24Å; F174-V306 HydrophobicContact CD2-CG2 3.76Å; F174-V306 HydrophobicContact CE1-CG2 4.34Å; F174-V306 HydrophobicContact CE2-CG2 3.77Å; F174-V306 HydrophobicContact CG-CG2 4.05Å; F174-V306 HydrophobicContact CZ-CG2 4.07Å |
| 175 | V | 95.6 | Very high | 96.5 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 50% | 0.497 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -77.3 | -35.5 | 173.4 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | T171 Y173 L538 | T171-V175 WeakPolarHBondContact O-CB 3.33Å; T171-V175 VanDerWaalsContact O-CG2 3.31Å; T171-V175 WeakPolarHBondContact O-CG2 3.16Å; T171-V175 PolarHBondContact O-N 2.76Å; Y173-V175 VanDerWaalsContact C-N 3.31Å; Y173-V175 PolarHBondContact O-N 2.83Å; V175-L538 HydrophobicContact CG1-CD1 3.94Å; V175-L538 HydrophobicContact CG2-CD1 4.32Å |
| 176 | A | 96.3 | Very high | 96.7 | Very high | 24 Ų | 24 | 33.6 Ų | 33.6 | 20% | 0.198 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -91 | -23 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E172 Y173 T204 V268 N271 | E172-A176 WeakPolarHBondContact O-CB 3.19Å; E172-A176 PolarHBondContact O-N 3.13Å; E172-A176 VanDerWaalsContact O-N 3.13Å; Y173-A176 PolarHBondContact O-N 2.96Å; A176-T204 HydrophobicContact CB-CG2 3.42Å; A176-T204 VanDerWaalsContact CB-CG2 3.42Å; A176-V268 HydrophobicContact CB-CG1 3.69Å; A176-N271 PolarHBondContact O-ND2 3.21Å |
| 177 | V | 97.8 | Very high | 97 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -117.5 | 122.7 | -172.6 | -179 | 0 | 0 | 0 | 0 | 112 | Y173 N181 M182 L266 V268 | Y173-V177 HydrophobicContact CD2-CB 3.96Å; Y173-V177 HydrophobicContact CD2-CG2 3.68Å; Y173-V177 HydrophobicContact CE2-CB 3.77Å; Y173-V177 HydrophobicContact CE2-CG1 3.97Å; Y173-V177 HydrophobicContact CE2-CG2 3.71Å; Y173-V177 WeakPolarHBondContact O-CB 3.5Å; Y173-V177 PolarHBondContact O-N 3.48Å; V177-N181 HydrophobicContact CG1-CB 3.62Å; V177-M182 HydrophobicContact CB-CG 4.34Å; V177-M182 HydrophobicContact CG1-CG 3.94Å; V177-L266 HydrophobicContact CG1-CD2 3.92Å; V177-L266 HydrophobicContact CG2-CD2 4.16Å; V177-V268 HydrophobicContact CG2-CG1 3.94Å; V177-V268 HydrophobicContact CG2-CG2 4.16Å |
| 178 | D | 97.2 | Very high | 97.1 | Very high | 86 Ų | 86 | 27.1 Ų | 27.1 | 46% | 0.46 | 14% | 0.14 | S | C | . | . | trans | -53.1 | 141.2 | 176.5 | -95.1 | -28 | 0 | 0 | 0 | 112.4 | N180 N181 M182 N271 | D178-N180 PolarHBondContact O-N 2.62Å; D178-N181 HydrophobicContact CB-CB 4.31Å; D178-N181 CarbonylContact O-C 3.4Å; D178-N181 WeakPolarHBondContact O-CA 3.2Å; D178-N181 WeakPolarHBondContact O-CB 3.32Å; D178-N181 PolarHBondContact O-N 3.12Å; D178-M182 WeakPolarHBondContact O-CG 3.41Å; D178-M182 PolarHBondContact O-N 3.4Å; D178-N271 PolarHBondContact N-OD1 3.31Å | ||
| 179 | I | 96.9 | Very high | 97.3 | Very high | 38 Ų | 38 | 23.4 Ų | 23.4 | 20% | 0.195 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -52.3 | -32.4 | 176.1 | -62 | 169.6 | 0 | 0 | 0 | 112.2 | L183 K292 L295 K296 | I179-L183 HydrophobicContact CG2-CD1 4.32Å; I179-L183 WeakPolarHBondContact O-CD1 3.26Å; I179-L183 VanDerWaalsContact O-CG 3.22Å; I179-L183 WeakPolarHBondContact O-CG 3.32Å; I179-L183 PolarHBondContact O-N 3.1Å; I179-K292 HydrophobicContact CG2-CG 4.32Å; I179-L295 HydrophobicContact CD1-CB 4.18Å; I179-L295 WeakPolarHBondContact CD1-O 3.42Å; I179-L295 HydrophobicContact CG1-CB 4.28Å; I179-L295 HydrophobicContact CG2-CB 3.84Å; I179-L295 HydrophobicContact CG2-CD1 4.03Å; I179-K296 HydrophobicContact CD1-CG 3.94Å |
| 180 | N | 97.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 23 Ų | 23 | 43% | 0.433 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -67 | -43.1 | 174.5 | -62.2 | -50.5 | 0 | 0 | 0 | 112.2 | D178 L183 Q184 K292 | D178-N180 PolarHBondContact O-N 2.62Å; N180-L183 PolarHBondContact O-N 3.21Å; N180-Q184 WeakPolarHBondContact O-CG 3.4Å; N180-Q184 PolarHBondContact O-N 2.69Å; N180-Q184 VanDerWaalsContact O-N 3.08Å; N180-K292 WeakPolarHBondContact OD1-CE 3.18Å; N180-K292 PolarHBondContact OD1-NZ 2.81Å |
| 181 | N | 97.9 | Very high | 97.3 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.3 | -36.2 | 179.4 | -68.5 | -23.2 | 0 | 0 | 0 | 111.4 | V177 D178 L183 Q184 L185 L266 N271 | V177-N181 HydrophobicContact CG1-CB 3.62Å; D178-N181 HydrophobicContact CB-CB 4.31Å; D178-N181 CarbonylContact O-C 3.4Å; D178-N181 WeakPolarHBondContact O-CA 3.2Å; D178-N181 WeakPolarHBondContact O-CB 3.32Å; D178-N181 PolarHBondContact O-N 3.12Å; N181-L183 VanDerWaalsContact C-N 3.28Å; N181-L183 PolarHBondContact O-N 3.07Å; N181-Q184 PolarHBondContact O-N 2.97Å; N181-L185 WeakPolarHBondContact O-CB 3.4Å; N181-L185 PolarHBondContact O-N 2.93Å; N181-L266 HydrophobicContact CB-CD1 4.04Å; N181-N271 WeakPolarHBondContact ND2-CB 3.31Å; N181-N271 PolarHBondContact ND2-O 2.9Å; N181-N271 PolarHBondContact ND2-OD1 3.36Å |
| 182 | M | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.9 | -42.2 | 170.7 | -61.2 | -178.7 | 85.6 | 0 | 0 | 111.9 | Y173 F174 V177 D178 Y186 L215 V306 F310 | Y173-M182 HydrophobicContact CD1-CE 3.93Å; Y173-M182 HydrophobicContact CE1-CE 3.45Å; Y173-M182 VanDerWaalsContact CE1-CE 3.45Å; Y173-M182 HydrophobicContact CE1-CG 4.36Å; F174-M182 HydrophobicContact CD2-CE 3.91Å; F174-M182 HydrophobicContact CD2-SD 3.83Å; F174-M182 HydrophobicContact CE2-SD 4.31Å; V177-M182 HydrophobicContact CB-CG 4.34Å; V177-M182 HydrophobicContact CG1-CG 3.94Å; D178-M182 WeakPolarHBondContact O-CG 3.41Å; D178-M182 PolarHBondContact O-N 3.4Å; M182-Y186 VanDerWaalsContact O-CB 3.26Å; M182-Y186 WeakPolarHBondContact O-CB 3.28Å; M182-Y186 PolarHBondContact O-N 2.88Å; M182-L215 HydrophobicContact CE-CD1 4.2Å; M182-V306 HydrophobicContact CE-CG1 4.23Å; M182-F310 HydrophobicContact CB-CZ 4.32Å; M182-F310 HydrophobicContact CE-CE2 4.04Å; M182-F310 HydrophobicContact CE-CZ 4.31Å |
| 183 | L | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.8 | -40.7 | 177.9 | -70.1 | 166.2 | 0 | 0 | 0 | 112.2 | I179 N180 N181 A187 L280 L291 K292 | I179-L183 HydrophobicContact CG2-CD1 4.32Å; I179-L183 WeakPolarHBondContact O-CD1 3.26Å; I179-L183 VanDerWaalsContact O-CG 3.22Å; I179-L183 WeakPolarHBondContact O-CG 3.32Å; I179-L183 PolarHBondContact O-N 3.1Å; N180-L183 PolarHBondContact O-N 3.21Å; N181-L183 VanDerWaalsContact C-N 3.28Å; N181-L183 PolarHBondContact O-N 3.07Å; L183-A187 WeakPolarHBondContact O-CB 3.37Å; L183-A187 PolarHBondContact O-N 2.97Å; L183-L280 HydrophobicContact CB-CD1 4.12Å; L183-L280 HydrophobicContact CB-CD2 4.18Å; L183-L291 HydrophobicContact CD2-CB 4.38Å; L183-L291 HydrophobicContact CD2-CD2 3.47Å; L183-L291 VanDerWaalsContact CD2-CD2 3.47Å; L183-L291 HydrophobicContact CD2-CG 3.77Å; L183-K292 HydrophobicContact CD1-CB 3.83Å; L183-K292 HydrophobicContact CD1-CD 3.71Å; L183-K292 HydrophobicContact CD1-CG 3.77Å |
| 184 | Q | 97.8 | Very high | 97.4 | Very high | 46 Ų | 46 | 27.1 Ų | 27.1 | 22% | 0.215 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 176.6 | -71.9 | -71.3 | 15.4 | 0 | 0 | 112.2 | N180 N181 A187 S188 L273 L280 | N180-Q184 WeakPolarHBondContact O-CG 3.4Å; N180-Q184 PolarHBondContact O-N 2.69Å; N180-Q184 VanDerWaalsContact O-N 3.08Å; N181-Q184 PolarHBondContact O-N 2.97Å; Q184-A187 PolarHBondContact O-N 3.48Å; Q184-S188 WeakPolarHBondContact O-CB 3.38Å; Q184-S188 PolarHBondContact O-N 2.85Å; Q184-S188 PolarHBondContact O-OG 2.86Å; Q184-L273 HydrophobicContact CB-CD1 3.64Å; Q184-L273 HydrophobicContact CB-CD2 4.19Å; Q184-L280 HydrophobicContact CG-CD2 4.1Å; Q184-L280 VanDerWaalsContact OE1-CB 3.25Å |
| 185 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.4 | -50.7 | 172.1 | -79.2 | -177.1 | 0 | 0 | 0 | 111 | Y173 N181 A187 S188 M189 I195 I197 L266 | Y173-L185 HydrophobicContact CE2-CD1 4.06Å; N181-L185 WeakPolarHBondContact O-CB 3.4Å; N181-L185 PolarHBondContact O-N 2.93Å; L185-A187 VanDerWaalsContact C-N 3.33Å; L185-A187 PolarHBondContact O-N 2.6Å; L185-S188 WeakPolarHBondContact O-CB 3.5Å; L185-S188 PolarHBondContact O-N 2.91Å; L185-S188 VanDerWaalsContact O-N 3.11Å; L185-M189 WeakPolarHBondContact O-CG 3.38Å; L185-M189 PolarHBondContact O-N 3.42Å; L185-I195 HydrophobicContact CD2-CG2 3.83Å; L185-I197 HydrophobicContact CD1-CD1 4.03Å; L185-L266 HydrophobicContact CD1-CD2 3.59Å; L185-L266 HydrophobicContact CD2-CB 4.32Å; L185-L266 HydrophobicContact CD2-CD2 4.37Å; L185-L266 HydrophobicContact CG-CD2 4.07Å |
| 186 | Y | 98.2 | Very high | 97.5 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 4% | 0.039 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.9 | -44.2 | 178.5 | 174.7 | -110.6 | 0 | 0 | 0 | 112 | M182 M189 L190 L216 L283 L291 F310 A313 Q314 L317 | M182-Y186 VanDerWaalsContact O-CB 3.26Å; M182-Y186 WeakPolarHBondContact O-CB 3.28Å; M182-Y186 PolarHBondContact O-N 2.88Å; Y186-M189 PolarHBondContact O-N 2.59Å; Y186-L190 HydrophobicContact CD1-CD1 4.17Å; Y186-L190 HydrophobicContact CE1-CD1 3.69Å; Y186-L190 HydrophobicContact CE2-CD1 4.11Å; Y186-L190 HydrophobicContact CE2-CG 4.32Å; Y186-L190 WeakPolarHBondContact O-CG 3.23Å; Y186-L190 PolarHBondContact O-N 2.82Å; Y186-L216 HydrophobicContact CD2-CD2 4.21Å; Y186-L216 HydrophobicContact CE2-CD2 4.27Å; Y186-L283 HydrophobicContact CD1-CD1 4.48Å; Y186-L291 HydrophobicContact CD1-CD2 4.28Å; Y186-L291 HydrophobicContact CE1-CD2 4.17Å; Y186-F310 HydrophobicContact CD1-CD1 4.34Å; Y186-F310 HydrophobicContact CD1-CE1 4.13Å; Y186-F310 AromaticContact CD2-CD1 3.8Å; Y186-F310 HydrophobicContact CD2-CD1 3.8Å; Y186-F310 AromaticContact CD2-CE1 3.97Å; Y186-F310 HydrophobicContact CD2-CE1 3.97Å; Y186-F310 HydrophobicContact CE1-CD1 4.47Å; Y186-F310 AromaticContact CE2-CD1 3.97Å; Y186-F310 HydrophobicContact CE2-CD1 3.97Å; Y186-F310 HydrophobicContact CG-CD1 4Å; Y186-F310 AromaticContact CG-CE1 3.74Å; Y186-F310 HydrophobicContact CG-CE1 3.74Å; Y186-A313 HydrophobicContact CE1-CB 4.38Å; Y186-Q314 HydrophobicContact CE2-CG 4.45Å; Y186-Q314 PolarHBondContact OH-OE1 2.79Å; Y186-L317 HydrophobicContact CE1-CD1 4.35Å |
| 187 | A | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L183 Q184 L185 M189 L190 H191 D279 L280 L283 | L183-A187 WeakPolarHBondContact O-CB 3.37Å; L183-A187 PolarHBondContact O-N 2.97Å; Q184-A187 PolarHBondContact O-N 3.48Å; L185-A187 VanDerWaalsContact C-N 3.33Å; L185-A187 PolarHBondContact O-N 2.6Å; A187-M189 VanDerWaalsContact C-N 3.32Å; A187-M189 PolarHBondContact O-N 2.72Å; A187-L190 PolarHBondContact O-N 2.83Å; A187-H191 PolarHBondContact O-N 3.31Å; A187-H191 VanDerWaalsContact O-N 3.13Å; A187-H191 PolarHBondContact O-ND1 2.86Å; A187-D279 HydrophobicContact CB-CB 4.1Å; A187-L280 HydrophobicContact CB-CB 4.04Å; A187-L280 HydrophobicContact CB-CD1 4.14Å; A187-L283 HydrophobicContact CB-CD1 3.77Å; A187-L283 HydrophobicContact CB-CG 4.29Å |
| 188 | S | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.2 | -38.1 | 177 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | Q184 L185 H191 E192 R193 | Q184-S188 WeakPolarHBondContact O-CB 3.38Å; Q184-S188 PolarHBondContact O-N 2.85Å; Q184-S188 PolarHBondContact O-OG 2.86Å; L185-S188 WeakPolarHBondContact O-CB 3.5Å; L185-S188 PolarHBondContact O-N 2.91Å; L185-S188 VanDerWaalsContact O-N 3.11Å; S188-H191 PolarHBondContact O-N 3.24Å; S188-E192 PolarHBondContact O-N 2.9Å; S188-R193 WeakPolarHBondContact O-CB 3.28Å; S188-R193 WeakPolarHBondContact O-CG 3.24Å; S188-R193 PolarHBondContact O-N 2.79Å |
| 189 | M | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.5 | -38.5 | 175.2 | -66.5 | -173.4 | 97 | 0 | 0 | 111.7 | L185 Y186 A187 H191 E192 I195 A212 A213 L216 W221 F244 | L185-M189 WeakPolarHBondContact O-CG 3.38Å; L185-M189 PolarHBondContact O-N 3.42Å; Y186-M189 PolarHBondContact O-N 2.59Å; A187-M189 VanDerWaalsContact C-N 3.32Å; A187-M189 PolarHBondContact O-N 2.72Å; M189-H191 PolarHBondContact O-N 3.01Å; M189-E192 PolarHBondContact O-N 3.3Å; M189-I195 HydrophobicContact CB-CD1 4.44Å; M189-I195 HydrophobicContact CG-CD1 3.59Å; M189-A212 HydrophobicContact SD-CB 4.34Å; M189-A213 HydrophobicContact CE-CB 4.34Å; M189-L216 HydrophobicContact CB-CD1 4.33Å; M189-L216 HydrophobicContact CB-CD2 4.04Å; M189-L216 HydrophobicContact CE-CD1 3.78Å; M189-L216 HydrophobicContact SD-CD1 4.2Å; M189-L216 HydrophobicContact SD-CG 4.37Å; M189-W221 HydrophobicContact CB-CZ3 4.25Å; M189-W221 HydrophobicContact CE-CD2 4.31Å; M189-W221 HydrophobicContact CE-CE3 3.9Å; M189-W221 HydrophobicContact CG-CZ3 4.46Å; M189-F244 HydrophobicContact CE-CD1 3.3Å; M189-F244 HydrophobicContact CE-CE1 3.32Å; M189-F244 HydrophobicContact CE-CG 4.03Å; M189-F244 HydrophobicContact CE-CZ 4.06Å; M189-F244 HydrophobicContact SD-CE1 4.11Å; M189-F244 HydrophobicContact SD-CZ 4.34Å |
| 190 | L | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -70 | -10.8 | 174.1 | -68.8 | -178.2 | 0 | 0 | 0 | 114.3 | Y186 A187 L216 L283 L317 F318 F351 M354 L358 | Y186-L190 HydrophobicContact CD1-CD1 4.17Å; Y186-L190 HydrophobicContact CE1-CD1 3.69Å; Y186-L190 HydrophobicContact CE2-CD1 4.11Å; Y186-L190 HydrophobicContact CE2-CG 4.32Å; Y186-L190 WeakPolarHBondContact O-CG 3.23Å; Y186-L190 PolarHBondContact O-N 2.82Å; A187-L190 PolarHBondContact O-N 2.83Å; L190-L216 HydrophobicContact CD2-CD2 4.29Å; L190-L283 HydrophobicContact CD1-CD1 4.3Å; L190-L283 HydrophobicContact CD1-CD2 4.08Å; L190-L317 HydrophobicContact CD1-CD1 3.58Å; L190-F318 HydrophobicContact CD2-CE2 3.86Å; L190-F318 HydrophobicContact CD2-CZ 3.94Å; L190-F351 HydrophobicContact CD1-CE2 4.43Å; L190-F351 HydrophobicContact CD1-CZ 4.48Å; L190-M354 VanDerWaalsContact O-CE 3.27Å; L190-M354 WeakPolarHBondContact O-CE 3.16Å; L190-L358 WeakPolarHBondContact O-CD1 3.36Å; L190-L358 WeakPolarHBondContact O-CD2 3.46Å |
| 191 | H | 96.6 | Very high | 97.3 | Very high | 17 Ų | 17 | 20 Ų | 20 | 8% | 0.079 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 10.1 | 169.8 | -67.2 | 69.8 | 0 | 0 | 0 | 112.2 | A187 S188 M189 R193 D279 N282 M354 | A187-H191 PolarHBondContact O-N 3.31Å; A187-H191 VanDerWaalsContact O-N 3.13Å; A187-H191 PolarHBondContact O-ND1 2.86Å; S188-H191 PolarHBondContact O-N 3.24Å; M189-H191 PolarHBondContact O-N 3.01Å; H191-R193 VanDerWaalsContact C-N 3.27Å; H191-R193 HydrophobicContact CB-CG 4.11Å; H191-R193 PolarHBondContact O-N 2.86Å; H191-D279 IonicContact CD2-OD1 2.94Å; H191-D279 PolarHBondContact CD2-OD1 3.19Å; H191-D279 VanDerWaalsContact CD2-OD1 3.26Å; H191-D279 PolarHBondContact CE1-O 2.91Å; H191-D279 VanDerWaalsContact CG-CG 3.48Å; H191-D279 IonicContact CG-OD1 3.99Å; H191-D279 IonicContact CG-OD2 3.54Å; H191-D279 IonicContact NE2-OD1 2.81Å; H191-N282 WeakPolarHBondContact NE2-CB 3.39Å; H191-N282 PolarHBondContact NE2-ND2 3.38Å; H191-N282 VanDerWaalsContact NE2-ND2 3.14Å; H191-M354 HydrophobicContact CB-SD 4.46Å; H191-M354 PolarHBondContact CD2-SD 3.24Å |
| 192 | E | 96.9 | Very high | 97.1 | Very high | 22 Ų | 22 | 19.2 Ų | 19.2 | 10% | 0.103 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44 | 49 | -173.9 | -71.5 | -175.6 | 165 | 0 | 0 | 113 | S188 M189 W221 H223 P242 L358 Q359 L360 | S188-E192 PolarHBondContact O-N 2.9Å; M189-E192 PolarHBondContact O-N 3.3Å; E192-W221 HydrophobicContact CB-CH2 4.32Å; E192-W221 HydrophobicContact CB-CZ3 4.46Å; E192-W221 HydrophobicContact CG-CH2 4.42Å; E192-W221 HydrophobicContact CG-CZ3 4.13Å; E192-H223 IonicContact OE1-CD2 3.66Å; E192-H223 IonicContact OE1-NE2 3.8Å; E192-H223 IonicContact OE2-CD2 3.63Å; E192-H223 IonicContact OE2-CE1 3.41Å; E192-H223 IonicContact OE2-NE2 3.75Å; E192-H223 PolarHBondContact OE2-NE2 2.74Å; E192-P242 HydrophobicContact CB-CB 4.17Å; E192-P242 HydrophobicContact CB-CG 4.02Å; E192-P242 VanDerWaalsContact O-CB 3.22Å; E192-P242 WeakPolarHBondContact O-CB 3.23Å; E192-P242 VanDerWaalsContact O-CG 3.23Å; E192-P242 WeakPolarHBondContact O-CG 3.22Å; E192-L358 HydrophobicContact CB-CD2 4.32Å; E192-L358 HydrophobicContact CG-CD2 4.01Å; E192-Q359 VanDerWaalsContact CD-N 3.33Å; E192-Q359 PolarHBondContact OE1-N 3.17Å; E192-Q359 PolarHBondContact OE2-N 2.99Å; E192-L360 HydrophobicContact CG-CD2 3.77Å; E192-L360 HydrophobicContact CG-CG 4.41Å; E192-L360 WeakPolarHBondContact OE1-CB 3.26Å; E192-L360 WeakPolarHBondContact OE1-CD2 3.48Å; E192-L360 VanDerWaalsContact OE1-CG 3.28Å; E192-L360 WeakPolarHBondContact OE1-CG 3.45Å; E192-L360 PolarHBondContact OE1-N 3.46Å |
| 193 | R | 97.1 | Very high | 96.9 | Very high | 66 Ų | 66 | 19.7 Ų | 19.7 | 25% | 0.249 | 8% | 0.083 | C | C | . | . | trans | -70.7 | 162.6 | 176.6 | -60.1 | -47.3 | -172 | -179.5 | -0.8 | 112.7 | S188 H191 I195 W221 V264 F277 D279 | S188-R193 WeakPolarHBondContact O-CB 3.28Å; S188-R193 WeakPolarHBondContact O-CG 3.24Å; S188-R193 PolarHBondContact O-N 2.79Å; H191-R193 VanDerWaalsContact C-N 3.27Å; H191-R193 HydrophobicContact CB-CG 4.11Å; H191-R193 PolarHBondContact O-N 2.86Å; R193-I195 HydrophobicContact CB-CD1 4.46Å; R193-I195 HydrophobicContact CB-CG1 4.02Å; R193-W221 WeakPolarHBondContact O-CH2 3.29Å; R193-V264 HydrophobicContact CB-CG2 4.17Å; R193-V264 HydrophobicContact CG-CG2 4.37Å; R193-F277 HydrophobicContact CB-CE2 4.36Å; R193-F277 HydrophobicContact CG-CD2 3.92Å; R193-F277 HydrophobicContact CG-CE2 3.94Å; R193-D279 WeakPolarHBondContact CG-OD2 3.48Å; R193-D279 IonicContact CZ-OD1 2.7Å; R193-D279 IonicContact CZ-OD2 2.65Å; R193-D279 IonicContact NE-OD1 3.32Å; R193-D279 PolarHBondContact NE-OD1 3.06Å; R193-D279 IonicContact NE-OD2 3.26Å; R193-D279 PolarHBondContact NE-OD2 3.08Å; R193-D279 IonicContact NH2-OD1 3.74Å; R193-D279 PolarHBondContact NH2-OD1 3.14Å; R193-D279 IonicContact NH2-OD2 3.58Å | ||
| 194 | R | 97.5 | Very high | 96.9 | Very high | 32 Ų | 32 | 20.2 Ų | 20.2 | 12% | 0.121 | 9% | 0.086 | C | C | . | . | trans | -75.9 | 116.5 | 161.2 | -68.4 | 179 | -68.2 | -148.6 | -2.5 | 108.6 | P240 M241 Y243 E261 D262 V263 V264 | R194-P240 PolarHBondContact NH1-O 3.34Å; R194-M241 WeakPolarHBondContact CG-O 3.49Å; R194-Y243 HydrophobicContact CB-CD1 4.11Å; R194-Y243 HydrophobicContact CB-CD2 4.21Å; R194-Y243 HydrophobicContact CB-CE1 3.83Å; R194-Y243 HydrophobicContact CB-CE2 3.89Å; R194-Y243 HydrophobicContact CB-CG 4.31Å; R194-Y243 HydrophobicContact CG-CD1 3.74Å; R194-Y243 HydrophobicContact CG-CE1 3.7Å; R194-Y243 HydrophobicContact CG-CG 4.26Å; R194-E261 IonicContact CZ-OE2 3.47Å; R194-E261 VanDerWaalsContact CZ-OE2 3.24Å; R194-E261 IonicContact NH1-OE2 2.7Å; R194-E261 PolarHBondContact NH1-OE2 2.95Å; R194-E261 IonicContact NH2-OE2 3.63Å; R194-E261 PolarHBondContact NH2-OE2 3.14Å; R194-D262 PolarHBondContact NE-O 3.27Å; R194-D262 PolarHBondContact NH2-O 3.32Å; R194-V263 HydrophobicContact CB-CB 4.48Å; R194-V263 HydrophobicContact CB-CG1 4.46Å; R194-V263 HydrophobicContact CB-CG2 3.96Å; R194-V264 PolarHBondContact O-N 3.39Å | ||
| 195 | I | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.8 | -171.2 | -57.6 | 167.1 | 0 | 0 | 0 | 110 | L185 M189 R193 Y243 F244 V245 V264 | L185-I195 HydrophobicContact CD2-CG2 3.83Å; M189-I195 HydrophobicContact CB-CD1 4.44Å; M189-I195 HydrophobicContact CG-CD1 3.59Å; R193-I195 HydrophobicContact CB-CD1 4.46Å; R193-I195 HydrophobicContact CB-CG1 4.02Å; I195-Y243 PolarHBondContact N-O 3.32Å; I195-F244 HydrophobicContact CB-CD2 3.77Å; I195-F244 HydrophobicContact CB-CE2 4.3Å; I195-F244 HydrophobicContact CG2-CD2 3.64Å; I195-F244 HydrophobicContact CG2-CE2 3.65Å; I195-V245 PolarHBondContact O-N 2.91Å; I195-V264 CarbonylContact C-O 3.48Å; I195-V264 WeakPolarHBondContact CA-O 3.4Å; I195-V264 HydrophobicContact CG1-CB 4.3Å |
| 196 | I | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.4 | 170.9 | -55.4 | -178.3 | 0 | 0 | 0 | 108.8 | C237 Y243 V245 V247 V255 V263 V264 I265 L266 | I196-C237 HydrophobicContact CD1-CB 4.49Å; I196-Y243 HydrophobicContact CD1-CE2 4.45Å; I196-Y243 HydrophobicContact CG1-CE2 3.79Å; I196-V245 WeakPolarHBondContact CA-O 3.23Å; I196-V245 HydrophobicContact CB-CG2 4.44Å; I196-V245 HydrophobicContact CG1-CG2 3.89Å; I196-V247 HydrophobicContact CG2-CB 4.09Å; I196-V247 HydrophobicContact CG2-CG2 3.87Å; I196-V255 HydrophobicContact CD1-CG1 3.87Å; I196-V263 HydrophobicContact CD1-CG1 3.85Å; I196-V263 HydrophobicContact CG1-CG1 3.79Å; I196-V264 PolarHBondContact N-O 3.5Å; I196-I265 HydrophobicContact CB-CG1 4.39Å; I196-I265 HydrophobicContact CB-CG2 4.45Å; I196-I265 WeakPolarHBondContact O-CA 3.15Å; I196-L266 PolarHBondContact O-N 3.39Å |
| 197 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 141.6 | 163.1 | -61.5 | -173.2 | 0 | 0 | 0 | 108.3 | L185 L205 C208 V209 F244 V245 G246 V247 V268 | L185-I197 HydrophobicContact CD1-CD1 4.03Å; I197-L205 HydrophobicContact CB-CD1 4.19Å; I197-L205 HydrophobicContact CG2-CD1 3.84Å; I197-L205 VanDerWaalsContact O-CD1 3.31Å; I197-L205 WeakPolarHBondContact O-CD1 3.06Å; I197-C208 HydrophobicContact CD1-CB 4.03Å; I197-C208 HydrophobicContact CG2-CB 4.08Å; I197-V209 HydrophobicContact CB-CG2 4.19Å; I197-V209 HydrophobicContact CD1-CG2 4.03Å; I197-V209 HydrophobicContact CG1-CG2 4.39Å; I197-F244 HydrophobicContact CD1-CE2 3.56Å; I197-F244 HydrophobicContact CD1-CZ 3.69Å; I197-F244 HydrophobicContact CG1-CE2 3.82Å; I197-F244 HydrophobicContact CG1-CZ 4.45Å; I197-V245 PolarHBondContact N-O 2.83Å; I197-G246 CarbonylContact O-C 3.5Å; I197-G246 WeakPolarHBondContact O-CA 3.06Å; I197-V247 PolarHBondContact O-N 2.8Å; I197-V268 HydrophobicContact CG2-CG2 3.54Å |
| 198 | T | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 141.9 | 175.4 | -171.9 | 0 | 0 | 0 | 0 | 112.9 | V247 Y249 L252 I265 L266 N267 V268 | T198-V247 VanDerWaalsContact CA-O 3.26Å; T198-V247 WeakPolarHBondContact CA-O 3.44Å; T198-V247 VanDerWaalsContact CB-O 3.31Å; T198-V247 WeakPolarHBondContact CB-O 3.46Å; T198-V247 PolarHBondContact OG1-O 2.86Å; T198-Y249 WeakPolarHBondContact OG1-CA 3.23Å; T198-L252 HydrophobicContact CG2-CD1 4.03Å; T198-L252 HydrophobicContact CG2-CD2 3.83Å; T198-L252 HydrophobicContact CG2-CG 4.48Å; T198-I265 HydrophobicContact CG2-CG2 4.42Å; T198-L266 PolarHBondContact N-O 3.33Å; T198-N267 HydrophobicContact CG2-CB 3.77Å; T198-N267 PolarHBondContact O-OD1 2.98Å; T198-V268 PolarHBondContact O-N 3.5Å |
| 199 | S | 96.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.007 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 157.2 | 178.7 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | K201 H248 Y249 D269 | S199-K201 VanDerWaalsContact C-N 3.3Å; S199-K201 PolarHBondContact OG-N 2.61Å; S199-K201 VanDerWaalsContact OG-N 3.15Å; S199-H248 PolarHBondContact O-CD2 3.29Å; S199-H248 VanDerWaalsContact O-CD2 3.29Å; S199-Y249 PolarHBondContact O-N 3.3Å; S199-D269 VanDerWaalsContact CA-OD1 3.23Å; S199-D269 WeakPolarHBondContact CA-OD1 3.22Å; S199-D269 VanDerWaalsContact CB-OD1 3.28Å; S199-D269 WeakPolarHBondContact CB-OD1 3.47Å; S199-D269 PolarHBondContact OG-OD1 3.36Å |
| 200 | R | 93.4 | Very high | 96.9 | Very high | 93 Ų | 93 | 18.2 Ų | 18.2 | 35% | 0.351 | 8% | 0.077 | S | C | . | . | S | Bend | trans | -77.4 | -10.4 | 168.5 | -69.2 | 169.9 | -169.4 | 101.8 | -8.5 | 114.1 | Q64 H248 Y249 D269 | Q64-R200 VanDerWaalsContact O-O 3.12Å; R200-H248 WeakPolarHBondContact CA-NE2 3.29Å; R200-H248 PolarHBondContact O-NE2 3.13Å; R200-H248 VanDerWaalsContact O-NE2 3.11Å; R200-Y249 HydrophobicContact CG-CD1 3.9Å; R200-Y249 HydrophobicContact CG-CG 3.88Å; R200-D269 VanDerWaalsContact CB-OD2 3.24Å; R200-D269 WeakPolarHBondContact CB-OD2 2.99Å; R200-D269 VanDerWaalsContact CD-OD2 3.25Å; R200-D269 WeakPolarHBondContact CD-OD2 3.49Å; R200-D269 WeakPolarHBondContact CG-OD2 3.15Å; R200-D269 IonicContact CZ-OD2 3.81Å; R200-D269 PolarHBondContact N-OD1 2.97Å; R200-D269 PolarHBondContact N-OD2 3.39Å; R200-D269 VanDerWaalsContact N-OD2 3.08Å; R200-D269 IonicContact NE-OD2 3.24Å; R200-D269 IonicContact NH1-OD2 2.74Å; R200-D269 PolarHBondContact NH1-OD2 2.79Å |
| 201 | K | 94 | Very high | 96.9 | Very high | 113 Ų | 113 | 18.2 Ų | 18.2 | 49% | 0.491 | 8% | 0.078 | S | C | . | . | trans | -110.5 | 120.5 | 178.5 | -67.6 | 177.1 | -179 | 178.5 | 0 | 110 | V65 S199 S203 T204 L205 | V65-K201 CarbonylContact O-C 3.54Å; V65-K201 WeakPolarHBondContact O-CA 3.48Å; S199-K201 VanDerWaalsContact C-N 3.3Å; S199-K201 PolarHBondContact OG-N 2.61Å; S199-K201 VanDerWaalsContact OG-N 3.15Å; K201-S203 VanDerWaalsContact C-N 3.3Å; K201-S203 PolarHBondContact O-N 2.81Å; K201-T204 WeakPolarHBondContact CB-OG1 3.28Å; K201-T204 PolarHBondContact O-N 2.89Å; K201-L205 VanDerWaalsContact O-CB 3.26Å; K201-L205 WeakPolarHBondContact O-CB 3.41Å; K201-L205 PolarHBondContact O-N 3.22Å | ||
| 202 | L | 94.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66 | -33.2 | 176.1 | -62.1 | -175 | 0 | 0 | 0 | 112.5 | P54 F55 V65 F69 L87 L205 T206 V228 H248 | P54-L202 HydrophobicContact CG-CD1 3.88Å; P54-L202 HydrophobicContact CG-CD2 4.22Å; F55-L202 HydrophobicContact CD1-CD1 3.97Å; F55-L202 HydrophobicContact CE1-CD1 4.2Å; V65-L202 HydrophobicContact CG1-CB 4.47Å; V65-L202 HydrophobicContact CG1-CD1 3.46Å; V65-L202 VanDerWaalsContact CG1-CD1 3.46Å; V65-L202 HydrophobicContact CG1-CG 3.57Å; V65-L202 PolarHBondContact O-N 3.49Å; F69-L202 HydrophobicContact CB-CB 3.75Å; F69-L202 HydrophobicContact CD1-CB 3.9Å; F69-L202 HydrophobicContact CD1-CD1 3.76Å; F69-L202 HydrophobicContact CD2-CB 4.41Å; F69-L202 HydrophobicContact CD2-CD1 4.44Å; F69-L202 HydrophobicContact CE1-CD1 3.62Å; F69-L202 HydrophobicContact CE2-CD1 4.32Å; F69-L202 HydrophobicContact CG-CB 3.79Å; F69-L202 HydrophobicContact CG-CD1 4.18Å; F69-L202 HydrophobicContact CZ-CD1 3.92Å; L87-L202 HydrophobicContact CD1-CD1 4.1Å; L202-L205 HydrophobicContact CD2-CD2 4.19Å; L202-T206 WeakPolarHBondContact O-CB 3.28Å; L202-T206 WeakPolarHBondContact O-CG2 3.39Å; L202-T206 PolarHBondContact O-N 2.93Å; L202-T206 PolarHBondContact O-OG1 2.96Å; L202-V228 HydrophobicContact CD2-CG2 3.97Å; L202-H248 HydrophobicContact CD2-CB 4.12Å |
| 203 | S | 94.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 17.3 Ų | 17.3 | 6% | 0.063 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.5 | -52.2 | 173.1 | 67.1 | 0 | 0 | 0 | 0 | 110.1 | N68 E172 K201 T206 A207 | N68-S203 WeakPolarHBondContact O-CA 3.46Å; N68-S203 WeakPolarHBondContact O-CB 3.16Å; E172-S203 VanDerWaalsContact OE1-C 3.24Å; E172-S203 VanDerWaalsContact OE1-CB 3.23Å; E172-S203 WeakPolarHBondContact OE1-CB 3.31Å; E172-S203 PolarHBondContact OE1-OG 2.99Å; K201-S203 VanDerWaalsContact C-N 3.3Å; K201-S203 PolarHBondContact O-N 2.81Å; S203-T206 PolarHBondContact O-OG1 3.4Å; S203-A207 WeakPolarHBondContact O-CB 3.48Å; S203-A207 PolarHBondContact O-N 2.97Å |
| 204 | T | 96.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 16.3 Ų | 16.3 | 7% | 0.074 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -70.8 | -40.1 | -176.7 | -46.6 | 0 | 0 | 0 | 0 | 111.1 | E172 A176 K201 C208 V268 | E172-T204 HydrophobicContact CG-CG2 4.36Å; E172-T204 VanDerWaalsContact OE1-CA 3.24Å; E172-T204 WeakPolarHBondContact OE1-CA 3.43Å; E172-T204 PolarHBondContact OE1-N 2.79Å; E172-T204 PolarHBondContact OE1-OG1 3.16Å; A176-T204 HydrophobicContact CB-CG2 3.42Å; A176-T204 VanDerWaalsContact CB-CG2 3.42Å; K201-T204 WeakPolarHBondContact CB-OG1 3.28Å; K201-T204 PolarHBondContact O-N 2.89Å; T204-C208 VanDerWaalsContact O-CB 3.29Å; T204-C208 WeakPolarHBondContact O-CB 3.49Å; T204-C208 PolarHBondContact O-N 3.25Å; T204-C208 PolarHBondContact O-SG 2.9Å; T204-V268 HydrophobicContact CG2-CG1 4.02Å |
| 205 | L | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -56.6 | -56.1 | 175 | -178.4 | 58.5 | 0 | 0 | 0 | 112.2 | I197 K201 L202 C208 V209 V228 | I197-L205 HydrophobicContact CB-CD1 4.19Å; I197-L205 HydrophobicContact CG2-CD1 3.84Å; I197-L205 VanDerWaalsContact O-CD1 3.31Å; I197-L205 WeakPolarHBondContact O-CD1 3.06Å; K201-L205 VanDerWaalsContact O-CB 3.26Å; K201-L205 WeakPolarHBondContact O-CB 3.41Å; K201-L205 PolarHBondContact O-N 3.22Å; L202-L205 HydrophobicContact CD2-CD2 4.19Å; L205-C208 PolarHBondContact O-N 3.22Å; L205-V209 PolarHBondContact O-N 3.44Å; L205-V209 VanDerWaalsContact O-N 3.14Å; L205-V228 HydrophobicContact CD2-CB 4.29Å; L205-V228 HydrophobicContact CD2-CG2 3.82Å |
| 206 | T | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -70.9 | -37.2 | -177.1 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | F69 T70 L202 S203 C208 V209 H210 P227 V228 | F69-T206 HydrophobicContact CB-CG2 4.12Å; F69-T206 WeakPolarHBondContact CB-OG1 3.43Å; F69-T206 HydrophobicContact CD2-CG2 4.22Å; T70-T206 PolarHBondContact N-OG1 3.32Å; T70-T206 WeakPolarHBondContact O-CB 3.18Å; T70-T206 WeakPolarHBondContact O-CG2 3.28Å; L202-T206 WeakPolarHBondContact O-CB 3.28Å; L202-T206 WeakPolarHBondContact O-CG2 3.39Å; L202-T206 PolarHBondContact O-N 2.93Å; L202-T206 PolarHBondContact O-OG1 2.96Å; S203-T206 PolarHBondContact O-OG1 3.4Å; T206-C208 PolarHBondContact O-N 3.29Å; T206-V209 PolarHBondContact O-N 3.37Å; T206-H210 WeakPolarHBondContact O-CB 3.46Å; T206-H210 PolarHBondContact O-CD2 2.77Å; T206-H210 VanDerWaalsContact O-CD2 3.22Å; T206-H210 PolarHBondContact O-N 2.78Å; T206-P227 HydrophobicContact CG2-CB 4.11Å; T206-V228 HydrophobicContact CG2-CB 3.89Å; T206-V228 HydrophobicContact CG2-CG1 3.9Å |
| 207 | A | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E172 S203 G211 | E172-A207 HydrophobicContact CB-CB 3.78Å; E172-A207 HydrophobicContact CG-CB 4.04Å; S203-A207 WeakPolarHBondContact O-CB 3.48Å; S203-A207 PolarHBondContact O-N 2.97Å; A207-G211 WeakPolarHBondContact O-CA 3.33Å; A207-G211 PolarHBondContact O-N 2.98Å |
| 208 | C | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 176.1 | -71.1 | 0 | 0 | 0 | 0 | 112 | Y173 I197 T204 L205 T206 A212 | Y173-C208 HydrophobicContact CD2-CB 3.9Å; I197-C208 HydrophobicContact CD1-CB 4.03Å; I197-C208 HydrophobicContact CG2-CB 4.08Å; T204-C208 VanDerWaalsContact O-CB 3.29Å; T204-C208 WeakPolarHBondContact O-CB 3.49Å; T204-C208 PolarHBondContact O-N 3.25Å; T204-C208 PolarHBondContact O-SG 2.9Å; L205-C208 PolarHBondContact O-N 3.22Å; T206-C208 PolarHBondContact O-N 3.29Å; C208-A212 WeakPolarHBondContact O-CB 3.28Å; C208-A212 PolarHBondContact O-N 3.45Å |
| 209 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.3 | -47.3 | 178.4 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | I197 L205 T206 A213 F225 P227 F244 | I197-V209 HydrophobicContact CB-CG2 4.19Å; I197-V209 HydrophobicContact CD1-CG2 4.03Å; I197-V209 HydrophobicContact CG1-CG2 4.39Å; L205-V209 PolarHBondContact O-N 3.44Å; L205-V209 VanDerWaalsContact O-N 3.14Å; T206-V209 PolarHBondContact O-N 3.37Å; V209-A213 VanDerWaalsContact O-CB 3.31Å; V209-A213 WeakPolarHBondContact O-CB 3.32Å; V209-A213 PolarHBondContact O-N 3.38Å; V209-A213 VanDerWaalsContact O-N 3.16Å; V209-F225 HydrophobicContact CG1-CD2 4.34Å; V209-F225 HydrophobicContact CG1-CE2 3.55Å; V209-F225 HydrophobicContact CG1-CZ 3.83Å; V209-P227 HydrophobicContact CB-CB 4.36Å; V209-P227 HydrophobicContact CG1-CB 4.24Å; V209-P227 HydrophobicContact CG1-CG 4.32Å; V209-F244 HydrophobicContact CB-CE1 4.34Å; V209-F244 HydrophobicContact CB-CZ 4.33Å; V209-F244 HydrophobicContact CG1-CD1 3.87Å; V209-F244 HydrophobicContact CG1-CE1 3.72Å; V209-F244 HydrophobicContact CG1-CG 4.38Å; V209-F244 HydrophobicContact CG1-CZ 4.11Å; V209-F244 HydrophobicContact CG2-CE2 4.46Å; V209-F244 HydrophobicContact CG2-CZ 4.37Å; V209-F244 VanDerWaalsContact O-CE1 3.28Å; V209-F244 WeakPolarHBondContact O-CE1 3.28Å |
| 210 | H | 97.9 | Very high | 96.3 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 7% | 0.074 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | 176.8 | -75.7 | -64.2 | 0 | 0 | 0 | 112.7 | F82 F104 N169 T206 A213 A214 F225 P227 | F82-H210 AromaticContact CE1-CE1 3.79Å; F104-H210 AromaticContact CE1-CD2 3.85Å; F104-H210 AromaticContact CE1-NE2 3.87Å; F104-H210 AromaticContact CZ-CE1 3.98Å; F104-H210 AromaticContact CZ-ND1 3.93Å; N169-H210 HydrophobicContact CB-CB 4.08Å; T206-H210 WeakPolarHBondContact O-CB 3.46Å; T206-H210 PolarHBondContact O-CD2 2.77Å; T206-H210 VanDerWaalsContact O-CD2 3.22Å; T206-H210 PolarHBondContact O-N 2.78Å; H210-A213 PolarHBondContact O-N 3.03Å; H210-A214 WeakPolarHBondContact O-CB 3.31Å; H210-A214 PolarHBondContact O-N 3.3Å; H210-F225 AromaticContact CE1-CE1 3.98Å; H210-F225 AromaticContact ND1-CZ 3.87Å; H210-P227 WeakPolarHBondContact NE2-CG 3.44Å |
| 211 | G | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.1 | -47.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A207 A214 L215 | A207-G211 WeakPolarHBondContact O-CA 3.33Å; A207-G211 PolarHBondContact O-N 2.98Å; G211-A214 PolarHBondContact O-N 3.4Å; G211-L215 WeakPolarHBondContact O-CG 3.2Å |
| 212 | A | 97.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 13 Ų | 13 | 3% | 0.033 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y173 M189 C208 A214 L215 F244 | Y173-A212 HydrophobicContact CE1-CB 4.08Å; Y173-A212 HydrophobicContact CE2-CB 4.17Å; M189-A212 HydrophobicContact SD-CB 4.34Å; C208-A212 WeakPolarHBondContact O-CB 3.28Å; C208-A212 PolarHBondContact O-N 3.45Å; A212-A214 VanDerWaalsContact C-N 3.31Å; A212-A214 PolarHBondContact O-N 3.23Å; A212-L215 PolarHBondContact O-N 2.89Å; A212-F244 HydrophobicContact CB-CE1 4.25Å; A212-F244 HydrophobicContact CB-CZ 3.9Å |
| 213 | A | 97 | Very high | 96.5 | Very high | 16 Ų | 16 | 15.2 Ų | 15.2 | 13% | 0.132 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.1 | -35.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | M189 V209 H210 L215 L216 F225 F244 | M189-A213 HydrophobicContact CE-CB 4.34Å; V209-A213 VanDerWaalsContact O-CB 3.31Å; V209-A213 WeakPolarHBondContact O-CB 3.32Å; V209-A213 PolarHBondContact O-N 3.38Å; V209-A213 VanDerWaalsContact O-N 3.16Å; H210-A213 PolarHBondContact O-N 3.03Å; A213-L215 PolarHBondContact O-N 2.99Å; A213-L216 WeakPolarHBondContact O-CB 3.37Å; A213-L216 PolarHBondContact O-N 3.47Å; A213-F225 HydrophobicContact CB-CE2 3.9Å; A213-F225 HydrophobicContact CB-CZ 4.4Å; A213-F244 HydrophobicContact CB-CE1 4.16Å |
| 214 | A | 95.6 | Very high | 96.6 | Very high | 44 Ų | 44 | 17 Ų | 17 | 36% | 0.364 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -65 | -25.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H210 G211 A212 L216 F217 | H210-A214 WeakPolarHBondContact O-CB 3.31Å; H210-A214 PolarHBondContact O-N 3.3Å; G211-A214 PolarHBondContact O-N 3.4Å; A212-A214 VanDerWaalsContact C-N 3.31Å; A212-A214 PolarHBondContact O-N 3.23Å; A214-L216 PolarHBondContact O-N 2.86Å; A214-F217 WeakPolarHBondContact O-CB 3.44Å; A214-F217 PolarHBondContact O-N 3.17Å |
| 215 | L | 96.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 5% | 0.047 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -4.7 | 179.3 | -61.1 | 171.8 | 0 | 0 | 0 | 113.8 | L170 Y173 M182 G211 A212 A213 F217 V306 F310 | L170-L215 HydrophobicContact CD1-CD1 4.5Å; L170-L215 HydrophobicContact CD1-CD2 4.06Å; L170-L215 HydrophobicContact CD1-CG 4.49Å; Y173-L215 HydrophobicContact CD1-CD1 4.31Å; Y173-L215 HydrophobicContact CE1-CD1 3.67Å; M182-L215 HydrophobicContact CE-CD1 4.2Å; G211-L215 WeakPolarHBondContact O-CG 3.2Å; A212-L215 PolarHBondContact O-N 2.89Å; A213-L215 PolarHBondContact O-N 2.99Å; L215-F217 VanDerWaalsContact C-N 3.28Å; L215-V306 HydrophobicContact CD2-CG1 4.41Å; L215-F310 HydrophobicContact CB-CB 4.02Å; L215-F310 HydrophobicContact CB-CD1 4.02Å; L215-F310 HydrophobicContact CB-CD2 4.39Å; L215-F310 HydrophobicContact CB-CG 3.89Å; L215-F310 HydrophobicContact CD1-CD1 4.28Å; L215-F310 HydrophobicContact CD1-CD2 3.73Å; L215-F310 HydrophobicContact CD1-CE1 4.24Å; L215-F310 HydrophobicContact CD1-CE2 3.68Å; L215-F310 HydrophobicContact CD1-CG 4.04Å; L215-F310 HydrophobicContact CD1-CZ 3.95Å; L215-F310 HydrophobicContact CD2-CB 3.97Å; L215-F310 HydrophobicContact CD2-CD2 3.76Å; L215-F310 HydrophobicContact CD2-CE2 4.49Å; L215-F310 HydrophobicContact CD2-CG 3.96Å; L215-F310 HydrophobicContact CG-CB 4.47Å; L215-F310 HydrophobicContact CG-CD2 4.17Å; L215-F310 HydrophobicContact CG-CG 4.17Å |
| 216 | L | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -12.2 | 168.8 | -63.1 | -179.9 | 0 | 0 | 0 | 113.1 | Y186 M189 L190 A213 A214 M219 W221 Q314 L360 | Y186-L216 HydrophobicContact CD2-CD2 4.21Å; Y186-L216 HydrophobicContact CE2-CD2 4.27Å; M189-L216 HydrophobicContact CB-CD1 4.33Å; M189-L216 HydrophobicContact CB-CD2 4.04Å; M189-L216 HydrophobicContact CE-CD1 3.78Å; M189-L216 HydrophobicContact SD-CD1 4.2Å; M189-L216 HydrophobicContact SD-CG 4.37Å; L190-L216 HydrophobicContact CD2-CD2 4.29Å; A213-L216 WeakPolarHBondContact O-CB 3.37Å; A213-L216 PolarHBondContact O-N 3.47Å; A214-L216 PolarHBondContact O-N 2.86Å; L216-M219 CarbonylContact C-O 3.25Å; L216-M219 WeakPolarHBondContact CB-O 3.49Å; L216-M219 WeakPolarHBondContact O-CA 3.3Å; L216-M219 WeakPolarHBondContact O-CB 3.42Å; L216-M219 PolarHBondContact O-N 3.16Å; L216-W221 HydrophobicContact CD1-CB 4.48Å; L216-W221 HydrophobicContact CD1-CE3 4.47Å; L216-Q314 PolarHBondContact O-NE2 3.41Å; L216-L360 HydrophobicContact CD1-CD2 4.49Å |
| 217 | F | 94.8 | Very high | 96.7 | Very high | 44 Ų | 44 | 17.7 Ų | 17.7 | 19% | 0.193 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | 129.4 | -178.1 | 177.4 | -86.2 | 0 | 0 | 0 | 111.7 | L161 A214 L215 M219 L311 | L161-F217 HydrophobicContact CD2-CD1 4.13Å; L161-F217 HydrophobicContact CD2-CE1 4.29Å; A214-F217 WeakPolarHBondContact O-CB 3.44Å; A214-F217 PolarHBondContact O-N 3.17Å; L215-F217 VanDerWaalsContact C-N 3.28Å; F217-M219 PolarHBondContact N-O 3.36Å; F217-L311 HydrophobicContact CD1-CD1 3.73Å; F217-L311 HydrophobicContact CE1-CD1 3.94Å |
| 218 | P | 94.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 5% | 0.045 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.7 | 1.3 | 17.1 | 37.7 | -42.2 | 0 | 0 | 0 | 115.4 | Y220 F364 F382 | P218-Y220 WeakPolarHBondContact O-CE2 3.34Å; P218-F364 HydrophobicContact CB-CD2 4.17Å; P218-F364 HydrophobicContact CB-CE2 3.92Å; P218-F364 HydrophobicContact CG-CD2 3.85Å; P218-F364 HydrophobicContact CG-CE2 3.44Å; P218-F364 VanDerWaalsContact CG-CE2 3.44Å; P218-F364 HydrophobicContact CG-CZ 4.22Å; P218-F382 HydrophobicContact CB-CB 4.23Å; P218-F382 HydrophobicContact CB-CG 4.3Å; P218-F382 HydrophobicContact CG-CB 3.98Å; P218-F382 HydrophobicContact CG-CD1 3.65Å; P218-F382 HydrophobicContact CG-CD2 3.75Å; P218-F382 HydrophobicContact CG-CE1 3.89Å; P218-F382 HydrophobicContact CG-CE2 3.98Å; P218-F382 HydrophobicContact CG-CG 3.54Å; P218-F382 HydrophobicContact CG-CZ 4.04Å |
| 219 | M | 95.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -90.8 | 155.5 | -179.1 | -52.8 | 177.4 | -170.3 | 0 | 0 | 110.2 | L216 F217 F318 L360 F361 F364 | L216-M219 CarbonylContact C-O 3.25Å; L216-M219 WeakPolarHBondContact CB-O 3.49Å; L216-M219 WeakPolarHBondContact O-CA 3.3Å; L216-M219 WeakPolarHBondContact O-CB 3.42Å; L216-M219 PolarHBondContact O-N 3.16Å; F217-M219 PolarHBondContact N-O 3.36Å; M219-F318 HydrophobicContact CE-CB 3.87Å; M219-F318 HydrophobicContact CE-CD1 3.75Å; M219-F318 HydrophobicContact CE-CD2 3.8Å; M219-F318 HydrophobicContact CE-CE1 4.14Å; M219-F318 HydrophobicContact CE-CE2 4.23Å; M219-F318 HydrophobicContact CE-CG 3.55Å; M219-F318 HydrophobicContact CE-CZ 4.38Å; M219-F318 HydrophobicContact SD-CD2 4.42Å; M219-F318 HydrophobicContact SD-CE1 4.35Å; M219-F318 HydrophobicContact SD-CE2 4.28Å; M219-F318 HydrophobicContact SD-CZ 4.23Å; M219-L360 HydrophobicContact CB-CD1 4.05Å; M219-L360 HydrophobicContact CG-CD1 4.39Å; M219-L360 HydrophobicContact SD-CD1 3.57Å; M219-L360 VanDerWaalsContact SD-CD1 3.57Å; M219-F361 HydrophobicContact CE-CD2 3.72Å; M219-F361 HydrophobicContact CE-CE2 4.27Å; M219-F361 HydrophobicContact SD-CD2 4.28Å; M219-F364 HydrophobicContact CE-CD1 3.87Å; M219-F364 HydrophobicContact CE-CE1 4.22Å; M219-F364 HydrophobicContact CE-CG 4.12Å; M219-F364 HydrophobicContact CG-CB 3.93Å; M219-F364 HydrophobicContact CG-CD2 4.27Å; M219-F364 HydrophobicContact CG-CG 4.06Å |
| 220 | Y | 95.7 | Very high | 96.6 | Very high | 73 Ų | 73 | 17.7 Ų | 17.7 | 29% | 0.286 | 9% | 0.092 | S | C | . | . | trans | -128.6 | 149.3 | -179.4 | -57.6 | -83.2 | 0 | 0 | 0 | 110.4 | P218 Q222 L360 | P218-Y220 WeakPolarHBondContact O-CE2 3.34Å; Y220-Q222 WeakPolarHBondContact O-CG 3.4Å; Y220-Q222 PolarHBondContact O-N 3.4Å; Y220-Q222 PolarHBondContact O-NE2 3.13Å; Y220-Q222 VanDerWaalsContact O-NE2 3.14Å; Y220-L360 WeakPolarHBondContact O-CB 3.4Å | ||
| 221 | W | 97.2 | Very high | 96.4 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 3% | 0.027 | 10% | 0.097 | C | C | . | . | trans | -71.1 | 112.8 | 178.1 | -176.1 | -92.6 | 0 | 0 | 0 | 111.5 | R4 M189 E192 R193 L216 H223 I224 P242 F244 L360 | R4-W221 WeakPolarHBondContact CD-O 3.46Å; R4-W221 PolarHBondContact NH1-O 3.16Å; M189-W221 HydrophobicContact CB-CZ3 4.25Å; M189-W221 HydrophobicContact CE-CD2 4.31Å; M189-W221 HydrophobicContact CE-CE3 3.9Å; M189-W221 HydrophobicContact CG-CZ3 4.46Å; E192-W221 HydrophobicContact CB-CH2 4.32Å; E192-W221 HydrophobicContact CB-CZ3 4.46Å; E192-W221 HydrophobicContact CG-CH2 4.42Å; E192-W221 HydrophobicContact CG-CZ3 4.13Å; R193-W221 WeakPolarHBondContact O-CH2 3.29Å; L216-W221 HydrophobicContact CD1-CB 4.48Å; L216-W221 HydrophobicContact CD1-CE3 4.47Å; W221-H223 HydrophobicContact CZ2-CB 4.35Å; W221-I224 PolarHBondContact NE1-O 3.2Å; W221-P242 HydrophobicContact CH2-CB 4.09Å; W221-P242 HydrophobicContact CZ2-CB 3.91Å; W221-F244 HydrophobicContact CD2-CB 4.23Å; W221-F244 HydrophobicContact CG-CB 4.48Å; W221-F244 HydrophobicContact CZ2-CB 4.11Å; W221-L360 HydrophobicContact CE3-CD2 4.41Å | ||
| 222 | Q | 95.6 | Very high | 96.1 | Very high | 30 Ų | 30 | 22.5 Ų | 22.5 | 14% | 0.14 | 12% | 0.117 | C | C | . | . | trans | -88.7 | -26.1 | -169.4 | -58.1 | -59.6 | -23.9 | 0 | 0 | 114.2 | D2 R4 Y220 Q359 L360 Q363 | D2-Q222 PolarHBondContact O-NE2 3.22Å; R4-Q222 PolarHBondContact NH1-O 3.3Å; Y220-Q222 WeakPolarHBondContact O-CG 3.4Å; Y220-Q222 PolarHBondContact O-N 3.4Å; Y220-Q222 PolarHBondContact O-NE2 3.13Å; Y220-Q222 VanDerWaalsContact O-NE2 3.14Å; Q222-Q359 HydrophobicContact CB-CB 4.37Å; Q222-Q359 HydrophobicContact CB-CG 3.71Å; Q222-Q359 HydrophobicContact CG-CG 4.16Å; Q222-L360 HydrophobicContact CG-CB 4.4Å; Q222-Q363 HydrophobicContact CG-CB 4.13Å; Q222-Q363 HydrophobicContact CG-CG 3.8Å | ||
| 223 | H | 95 | Very high | 96 | Very high | 46 Ų | 46 | 24 Ų | 24 | 21% | 0.213 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -83.8 | -161.6 | -176.2 | -54.5 | -75.2 | 0 | 0 | 0 | 112.3 | R4 E192 W221 F225 P242 Q359 | R4-H223 PolarHBondContact NH1-O 2.83Å; E192-H223 IonicContact OE1-CD2 3.66Å; E192-H223 IonicContact OE1-NE2 3.8Å; E192-H223 IonicContact OE2-CD2 3.63Å; E192-H223 IonicContact OE2-CE1 3.41Å; E192-H223 IonicContact OE2-NE2 3.75Å; E192-H223 PolarHBondContact OE2-NE2 2.74Å; W221-H223 HydrophobicContact CZ2-CB 4.35Å; H223-F225 PolarHBondContact O-N 3.23Å; H223-P242 HydrophobicContact CB-CB 3.99Å; H223-P242 WeakPolarHBondContact CB-O 3.42Å; H223-Q359 WeakPolarHBondContact NE2-CB 3.37Å |
| 224 | I | 96.8 | Very high | 95.9 | Very high | 45 Ų | 45 | 23.4 Ų | 23.4 | 23% | 0.231 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 130.1 | -179.7 | -60.7 | -169.6 | 0 | 0 | 0 | 110.1 | W221 I226 M241 Y243 F244 V245 | W221-I224 PolarHBondContact NE1-O 3.2Å; I224-I226 HydrophobicContact CG2-CD1 3.75Å; I224-I226 HydrophobicContact CG2-CG1 3.87Å; I224-M241 HydrophobicContact CD1-CE 3.48Å; I224-M241 VanDerWaalsContact CD1-CE 3.48Å; I224-M241 HydrophobicContact CD1-SD 3.85Å; I224-M241 HydrophobicContact CG1-CE 4.13Å; I224-M241 HydrophobicContact CG1-SD 4.44Å; I224-Y243 WeakPolarHBondContact O-CA 3.38Å; I224-F244 PolarHBondContact O-N 2.75Å; I224-V245 HydrophobicContact CG2-CG1 4.4Å |
| 225 | F | 97.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 109.3 | -177 | -178 | -100.8 | 0 | 0 | 0 | 109.3 | V72 V209 H210 A213 H223 P227 F244 | V72-F225 HydrophobicContact CG1-CD1 4.41Å; V72-F225 HydrophobicContact CG2-CE1 4.31Å; V209-F225 HydrophobicContact CG1-CD2 4.34Å; V209-F225 HydrophobicContact CG1-CE2 3.55Å; V209-F225 HydrophobicContact CG1-CZ 3.83Å; H210-F225 AromaticContact CE1-CE1 3.98Å; H210-F225 AromaticContact ND1-CZ 3.87Å; A213-F225 HydrophobicContact CB-CE2 3.9Å; A213-F225 HydrophobicContact CB-CZ 4.4Å; H223-F225 PolarHBondContact O-N 3.23Å; F225-P227 HydrophobicContact CD1-CG 4.17Å; F225-P227 HydrophobicContact CE1-CG 3.52Å; F225-P227 HydrophobicContact CZ-CG 3.9Å; F225-F244 WeakPolarHBondContact CA-O 3.41Å; F225-F244 HydrophobicContact CD2-CB 4.45Å; F225-F244 HydrophobicContact CD2-CD1 4.03Å; F225-F244 AromaticContact CE2-CD1 3.88Å; F225-F244 HydrophobicContact CE2-CD1 3.88Å; F225-F244 HydrophobicContact CE2-CE1 4.4Å |
| 226 | I | 98.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 11% | 0.113 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 92.7 | -175.4 | -51.7 | 175.4 | 0 | 0 | 0 | 108.7 | F51 I224 V228 L229 F244 V245 G246 | F51-I226 HydrophobicContact CE1-CG2 4.34Å; I224-I226 HydrophobicContact CG2-CD1 3.75Å; I224-I226 HydrophobicContact CG2-CG1 3.87Å; I226-V228 WeakPolarHBondContact CG2-O 3.14Å; I226-V228 PolarHBondContact O-N 3.12Å; I226-V228 VanDerWaalsContact O-N 3.09Å; I226-L229 HydrophobicContact CD1-CD1 3.73Å; I226-L229 HydrophobicContact CG2-CB 4.24Å; I226-L229 HydrophobicContact CG2-CD1 3.93Å; I226-F244 PolarHBondContact N-O 3.22Å; I226-V245 HydrophobicContact CB-CB 4.46Å; I226-V245 HydrophobicContact CB-CG1 4.03Å; I226-V245 HydrophobicContact CD1-CG1 4.38Å; I226-V245 HydrophobicContact CG1-CG1 4.33Å; I226-V245 CarbonylContact O-C 3.57Å; I226-V245 VanDerWaalsContact O-CA 3.28Å; I226-V245 WeakPolarHBondContact O-CA 3.19Å; I226-G246 PolarHBondContact O-N 3.28Å |
| 227 | P | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -55.7 | -28.1 | -175.5 | -29.3 | 36.8 | 0 | 0 | 0 | 115.4 | T70 V72 T206 V209 H210 F225 G246 | T70-P227 WeakPolarHBondContact O-CB 3.41Å; V72-P227 HydrophobicContact CB-CG 4.02Å; V72-P227 HydrophobicContact CG2-CG 3.93Å; T206-P227 HydrophobicContact CG2-CB 4.11Å; V209-P227 HydrophobicContact CB-CB 4.36Å; V209-P227 HydrophobicContact CG1-CB 4.24Å; V209-P227 HydrophobicContact CG1-CG 4.32Å; H210-P227 WeakPolarHBondContact NE2-CG 3.44Å; F225-P227 HydrophobicContact CD1-CG 4.17Å; F225-P227 HydrophobicContact CE1-CG 3.52Å; F225-P227 HydrophobicContact CZ-CG 3.9Å; P227-G246 WeakPolarHBondContact O-CA 3.35Å |
| 228 | V | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -149.1 | 128.6 | 165.5 | 61.4 | 0 | 0 | 0 | 0 | 110 | P54 F69 F71 L202 L205 T206 I226 G246 | P54-V228 HydrophobicContact CB-CG1 4.3Å; P54-V228 HydrophobicContact CB-CG2 3.71Å; P54-V228 HydrophobicContact CG-CB 4.39Å; P54-V228 HydrophobicContact CG-CG1 3.92Å; P54-V228 HydrophobicContact CG-CG2 3.56Å; F69-V228 HydrophobicContact CD2-CG1 4.1Å; F69-V228 HydrophobicContact CE2-CG1 4.05Å; F71-V228 HydrophobicContact CB-CG1 3.81Å; L202-V228 HydrophobicContact CD2-CG2 3.97Å; L205-V228 HydrophobicContact CD2-CB 4.29Å; L205-V228 HydrophobicContact CD2-CG2 3.82Å; T206-V228 HydrophobicContact CG2-CB 3.89Å; T206-V228 HydrophobicContact CG2-CG1 3.9Å; I226-V228 WeakPolarHBondContact CG2-O 3.14Å; I226-V228 PolarHBondContact O-N 3.12Å; I226-V228 VanDerWaalsContact O-N 3.09Å; V228-G246 CarbonylContact C-O 3.57Å; V228-G246 WeakPolarHBondContact CA-O 3.45Å |
| 229 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -100.6 | 117.7 | -176 | -171.5 | 69.7 | 0 | 0 | 0 | 110.3 | I226 L233 L234 C237 G246 V247 | I226-L229 HydrophobicContact CD1-CD1 3.73Å; I226-L229 HydrophobicContact CG2-CB 4.24Å; I226-L229 HydrophobicContact CG2-CD1 3.93Å; L229-L233 HydrophobicContact CD1-CB 3.58Å; L229-L233 HydrophobicContact CD1-CD1 4.46Å; L229-L233 HydrophobicContact CG-CB 4.2Å; L229-L234 HydrophobicContact CD2-CD2 3.98Å; L229-L234 HydrophobicContact CG-CD2 4.28Å; L229-C237 WeakPolarHBondContact CD2-SG 3.48Å; L229-G246 WeakPolarHBondContact CB-O 3.16Å; L229-G246 PolarHBondContact N-O 2.96Å; L229-V247 HydrophobicContact CB-CG2 4.35Å; L229-V247 HydrophobicContact CD2-CG2 4.28Å | ||
| 230 | P | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -75.2 | 163.1 | -179.9 | 31 | -36.8 | 0 | 0 | 0 | 113 | K50 F51 P54 H232 L233 | K50-P230 VanDerWaalsContact O-CB 3.3Å; K50-P230 WeakPolarHBondContact O-CB 3.48Å; F51-P230 HydrophobicContact CD1-CG 4.17Å; F51-P230 HydrophobicContact CD2-CG 4.12Å; F51-P230 HydrophobicContact CE1-CG 3.99Å; F51-P230 HydrophobicContact CE2-CG 3.93Å; F51-P230 HydrophobicContact CG-CG 4.25Å; F51-P230 HydrophobicContact CZ-CG 3.87Å; P54-P230 HydrophobicContact CB-CB 3.97Å; P230-H232 VanDerWaalsContact C-N 3.29Å; P230-H232 WeakPolarHBondContact CG-CE1 3.21Å; P230-H232 PolarHBondContact O-N 2.96Å; P230-H232 VanDerWaalsContact O-N 3.15Å; P230-L233 HydrophobicContact CG-CB 4.38Å; P230-L233 HydrophobicContact CG-CD1 3.82Å; P230-L233 HydrophobicContact CG-CG 4.05Å; P230-L233 PolarHBondContact O-N 3.14Å | ||
| 231 | P | 93.6 | Very high | 95.2 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -55.1 | -37.3 | -172.2 | -25.4 | 32.3 | 0 | 0 | 0 | 115.1 | L233 L234 L251 | P231-L233 PolarHBondContact O-N 2.97Å; P231-L234 WeakPolarHBondContact O-CG 3.22Å; P231-L251 HydrophobicContact CB-CD1 4.49Å; P231-L251 HydrophobicContact CB-CD2 4.17Å; P231-L251 HydrophobicContact CG-CD1 3.96Å; P231-L251 HydrophobicContact CG-CD2 3.97Å |
| 232 | H | 92 | Very high | 95.2 | Very high | 92 Ų | 92 | 37.8 Ų | 37.8 | 43% | 0.426 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -74.4 | -5.1 | -178.8 | 71.8 | -80.4 | 0 | 0 | 0 | 114.5 | K50 P230 | K50-H232 WeakPolarHBondContact CB-CE1 3.47Å; P230-H232 VanDerWaalsContact C-N 3.29Å; P230-H232 WeakPolarHBondContact CG-CE1 3.21Å; P230-H232 PolarHBondContact O-N 2.96Å; P230-H232 VanDerWaalsContact O-N 3.15Å |
| 233 | L | 95.1 | Very high | 95.3 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 18% | 0.183 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -116.5 | 11 | 179.6 | -58.5 | -179.1 | 0 | 0 | 0 | 113.4 | F51 L229 P230 P231 D235 Y236 | F51-L233 HydrophobicContact CE2-CD1 3.84Å; F51-L233 HydrophobicContact CZ-CD1 3.59Å; L229-L233 HydrophobicContact CD1-CB 3.58Å; L229-L233 HydrophobicContact CD1-CD1 4.46Å; L229-L233 HydrophobicContact CG-CB 4.2Å; P230-L233 HydrophobicContact CG-CB 4.38Å; P230-L233 HydrophobicContact CG-CD1 3.82Å; P230-L233 HydrophobicContact CG-CG 4.05Å; P230-L233 PolarHBondContact O-N 3.14Å; P231-L233 PolarHBondContact O-N 2.97Å; L233-D235 PolarHBondContact O-N 2.82Å; L233-D235 VanDerWaalsContact O-N 3.07Å; L233-Y236 HydrophobicContact CB-CD2 4.03Å; L233-Y236 HydrophobicContact CB-CE2 4.49Å; L233-Y236 HydrophobicContact CD2-CD2 4.25Å; L233-Y236 HydrophobicContact CD2-CE2 3.84Å; L233-Y236 WeakPolarHBondContact O-CB 3.34Å; L233-Y236 WeakPolarHBondContact O-CD2 3.38Å; L233-Y236 PolarHBondContact O-N 3.08Å |
| 234 | L | 94.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -61.8 | -18.8 | -178.3 | -64.3 | -179 | 0 | 0 | 0 | 113.9 | L229 P231 Y236 C237 V247 L251 R254 V255 | L229-L234 HydrophobicContact CD2-CD2 3.98Å; L229-L234 HydrophobicContact CG-CD2 4.28Å; P231-L234 WeakPolarHBondContact O-CG 3.22Å; L234-Y236 PolarHBondContact O-N 2.7Å; L234-C237 WeakPolarHBondContact O-CB 3.34Å; L234-C237 PolarHBondContact O-N 3.14Å; L234-C237 VanDerWaalsContact O-N 3.16Å; L234-V247 HydrophobicContact CD2-CG1 4.43Å; L234-L251 HydrophobicContact CD1-CB 4.1Å; L234-L251 HydrophobicContact CD1-CD2 4.32Å; L234-L251 HydrophobicContact CD2-CB 4.34Å; L234-L251 HydrophobicContact CD2-CD1 4.24Å; L234-R254 HydrophobicContact CD1-CB 3.99Å; L234-V255 HydrophobicContact CB-CG2 4.3Å; L234-V255 HydrophobicContact CD1-CG2 4.15Å; L234-V255 HydrophobicContact CD2-CG2 3.67Å; L234-V255 HydrophobicContact CG-CG2 4.24Å |
| 235 | D | 93.7 | Very high | 95.5 | Very high | 97 Ų | 97 | 32.1 Ų | 32.1 | 52% | 0.519 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -59.4 | -28.8 | 171 | -67.7 | -90.3 | 0 | 0 | 0 | 113.1 | L233 C237 C238 R258 | L233-D235 PolarHBondContact O-N 2.82Å; L233-D235 VanDerWaalsContact O-N 3.07Å; D235-C237 PolarHBondContact O-N 3.14Å; D235-C238 WeakPolarHBondContact O-CB 3.37Å; D235-C238 PolarHBondContact O-N 2.97Å; D235-R258 IonicContact OD1-CZ 3.37Å; D235-R258 IonicContact OD1-NH1 2.68Å; D235-R258 PolarHBondContact OD1-NH1 3.42Å; D235-R258 IonicContact OD1-NH2 3.65Å; D235-R258 IonicContact OD2-CZ 2.65Å; D235-R258 IonicContact OD2-NH1 3.12Å; D235-R258 PolarHBondContact OD2-NH1 3.15Å; D235-R258 IonicContact OD2-NH2 3.73Å; D235-R258 PolarHBondContact OD2-NH2 3.37Å |
| 236 | Y | 94.1 | Very high | 95.5 | Very high | 124 Ų | 124 | 31.8 Ų | 31.8 | 49% | 0.486 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -64.9 | -18.9 | 176.3 | -75.8 | -101.6 | 0 | 0 | 0 | 113.2 | L233 L234 C238 A239 | L233-Y236 HydrophobicContact CB-CD2 4.03Å; L233-Y236 HydrophobicContact CB-CE2 4.49Å; L233-Y236 HydrophobicContact CD2-CD2 4.25Å; L233-Y236 HydrophobicContact CD2-CE2 3.84Å; L233-Y236 WeakPolarHBondContact O-CB 3.34Å; L233-Y236 WeakPolarHBondContact O-CD2 3.38Å; L233-Y236 PolarHBondContact O-N 3.08Å; L234-Y236 PolarHBondContact O-N 2.7Å; Y236-C238 PolarHBondContact O-N 3.41Å; Y236-A239 WeakPolarHBondContact O-CB 3.4Å; Y236-A239 PolarHBondContact O-N 3.26Å |
| 237 | C | 94.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -67.8 | -18.4 | 170.7 | -67.8 | 0 | 0 | 0 | 0 | 113.3 | I196 L229 L234 D235 A239 Y243 V255 L260 | I196-C237 HydrophobicContact CD1-CB 4.49Å; L229-C237 WeakPolarHBondContact CD2-SG 3.48Å; L234-C237 WeakPolarHBondContact O-CB 3.34Å; L234-C237 PolarHBondContact O-N 3.14Å; L234-C237 VanDerWaalsContact O-N 3.16Å; D235-C237 PolarHBondContact O-N 3.14Å; C237-A239 VanDerWaalsContact C-N 3.35Å; C237-Y243 WeakPolarHBondContact O-CE1 3.27Å; C237-Y243 PolarHBondContact O-OH 2.75Å; C237-V255 HydrophobicContact CB-CG1 4.21Å; C237-L260 HydrophobicContact CB-CD2 4.06Å |
| 238 | C | 93.1 | Very high | 95.4 | Very high | 48 Ų | 48 | 31 Ų | 31 | 32% | 0.324 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -88.5 | -2.5 | 179.5 | -51.2 | 0 | 0 | 0 | 0 | 112.8 | D235 Y236 | D235-C238 WeakPolarHBondContact O-CB 3.37Å; D235-C238 PolarHBondContact O-N 2.97Å; Y236-C238 PolarHBondContact O-N 3.41Å |
| 239 | A | 93.2 | Very high | 95.3 | Very high | 22 Ų | 22 | 35 Ų | 35 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | trans | -75.4 | 144.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y236 C237 M241 | Y236-A239 WeakPolarHBondContact O-CB 3.4Å; Y236-A239 PolarHBondContact O-N 3.26Å; C237-A239 VanDerWaalsContact C-N 3.35Å; A239-M241 HydrophobicContact CB-CE 3.36Å; A239-M241 HydrophobicContact CB-SD 3.96Å | ||
| 240 | P | 93 | Very high | 95.1 | Very high | 101 Ų | 101 | 35.6 Ų | 35.6 | 66% | 0.656 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -82.8 | -26.9 | -162.7 | 30.6 | -36.6 | 0 | 0 | 0 | 115.1 | R194 | R194-P240 PolarHBondContact NH1-O 3.34Š|
| 241 | M | 94.1 | Very high | 95.1 | Very high | 64 Ų | 64 | 35.6 Ų | 35.6 | 32% | 0.315 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -75.6 | 171.6 | -179.8 | 78 | -65.5 | 96.2 | 0 | 0 | 112.1 | R194 I224 A239 Y243 | R194-M241 WeakPolarHBondContact CG-O 3.49Å; I224-M241 HydrophobicContact CD1-CE 3.48Å; I224-M241 VanDerWaalsContact CD1-CE 3.48Å; I224-M241 HydrophobicContact CD1-SD 3.85Å; I224-M241 HydrophobicContact CG1-CE 4.13Å; I224-M241 HydrophobicContact CG1-SD 4.44Å; A239-M241 HydrophobicContact CB-CE 3.36Å; A239-M241 HydrophobicContact CB-SD 3.96Å; M241-Y243 HydrophobicContact CE-CD1 4Å |
| 242 | P | 96.7 | Very high | 95.1 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 19% | 0.188 | 18% | 0.181 | C | C | . | . | trans | -59.7 | 143.3 | 176.9 | -25.7 | 36.7 | 0 | 0 | 0 | 112.4 | E192 W221 H223 | E192-P242 HydrophobicContact CB-CB 4.17Å; E192-P242 HydrophobicContact CB-CG 4.02Å; E192-P242 VanDerWaalsContact O-CB 3.22Å; E192-P242 WeakPolarHBondContact O-CB 3.23Å; E192-P242 VanDerWaalsContact O-CG 3.23Å; E192-P242 WeakPolarHBondContact O-CG 3.22Å; W221-P242 HydrophobicContact CH2-CB 4.09Å; W221-P242 HydrophobicContact CZ2-CB 3.91Å; H223-P242 HydrophobicContact CB-CB 3.99Å; H223-P242 WeakPolarHBondContact CB-O 3.42Å | ||
| 243 | Y | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 152.5 | 172.9 | 61.8 | -117.4 | 0 | 0 | 0 | 111.2 | R194 I195 I196 I224 C237 M241 V245 V263 | R194-Y243 HydrophobicContact CB-CD1 4.11Å; R194-Y243 HydrophobicContact CB-CD2 4.21Å; R194-Y243 HydrophobicContact CB-CE1 3.83Å; R194-Y243 HydrophobicContact CB-CE2 3.89Å; R194-Y243 HydrophobicContact CB-CG 4.31Å; R194-Y243 HydrophobicContact CG-CD1 3.74Å; R194-Y243 HydrophobicContact CG-CE1 3.7Å; R194-Y243 HydrophobicContact CG-CG 4.26Å; I195-Y243 PolarHBondContact N-O 3.32Å; I196-Y243 HydrophobicContact CD1-CE2 4.45Å; I196-Y243 HydrophobicContact CG1-CE2 3.79Å; I224-Y243 WeakPolarHBondContact O-CA 3.38Å; C237-Y243 WeakPolarHBondContact O-CE1 3.27Å; C237-Y243 PolarHBondContact O-OH 2.75Å; M241-Y243 HydrophobicContact CE-CD1 4Å; Y243-V245 HydrophobicContact CD2-CG1 4.01Å; Y243-V245 HydrophobicContact CD2-CG2 3.87Å; Y243-V245 HydrophobicContact CE2-CG2 3.9Å; Y243-V245 HydrophobicContact CG-CG1 4.4Å; Y243-V263 HydrophobicContact CE2-CG1 4.48Å; Y243-V263 WeakPolarHBondContact OH-CG2 3.47Å |
| 244 | F | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 108.5 | 168.3 | -173.2 | -151.2 | 0 | 0 | 0 | 108.9 | M189 I195 I197 V209 A212 A213 W221 I224 F225 I226 | M189-F244 HydrophobicContact CE-CD1 3.3Å; M189-F244 HydrophobicContact CE-CE1 3.32Å; M189-F244 HydrophobicContact CE-CG 4.03Å; M189-F244 HydrophobicContact CE-CZ 4.06Å; M189-F244 HydrophobicContact SD-CE1 4.11Å; M189-F244 HydrophobicContact SD-CZ 4.34Å; I195-F244 HydrophobicContact CB-CD2 3.77Å; I195-F244 HydrophobicContact CB-CE2 4.3Å; I195-F244 HydrophobicContact CG2-CD2 3.64Å; I195-F244 HydrophobicContact CG2-CE2 3.65Å; I197-F244 HydrophobicContact CD1-CE2 3.56Å; I197-F244 HydrophobicContact CD1-CZ 3.69Å; I197-F244 HydrophobicContact CG1-CE2 3.82Å; I197-F244 HydrophobicContact CG1-CZ 4.45Å; V209-F244 HydrophobicContact CB-CE1 4.34Å; V209-F244 HydrophobicContact CB-CZ 4.33Å; V209-F244 HydrophobicContact CG1-CD1 3.87Å; V209-F244 HydrophobicContact CG1-CE1 3.72Å; V209-F244 HydrophobicContact CG1-CG 4.38Å; V209-F244 HydrophobicContact CG1-CZ 4.11Å; V209-F244 HydrophobicContact CG2-CE2 4.46Å; V209-F244 HydrophobicContact CG2-CZ 4.37Å; V209-F244 VanDerWaalsContact O-CE1 3.28Å; V209-F244 WeakPolarHBondContact O-CE1 3.28Å; A212-F244 HydrophobicContact CB-CE1 4.25Å; A212-F244 HydrophobicContact CB-CZ 3.9Å; A213-F244 HydrophobicContact CB-CE1 4.16Å; W221-F244 HydrophobicContact CD2-CB 4.23Å; W221-F244 HydrophobicContact CG-CB 4.48Å; W221-F244 HydrophobicContact CZ2-CB 4.11Å; I224-F244 PolarHBondContact O-N 2.75Å; F225-F244 WeakPolarHBondContact CA-O 3.41Å; F225-F244 HydrophobicContact CD2-CB 4.45Å; F225-F244 HydrophobicContact CD2-CD1 4.03Å; F225-F244 AromaticContact CE2-CD1 3.88Å; F225-F244 HydrophobicContact CE2-CD1 3.88Å; F225-F244 HydrophobicContact CE2-CE1 4.4Å; I226-F244 PolarHBondContact N-O 3.22Å |
| 245 | V | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.6 | -171.9 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | I195 I196 I197 I224 I226 Y243 V247 | I195-V245 PolarHBondContact O-N 2.91Å; I196-V245 WeakPolarHBondContact CA-O 3.23Å; I196-V245 HydrophobicContact CB-CG2 4.44Å; I196-V245 HydrophobicContact CG1-CG2 3.89Å; I197-V245 PolarHBondContact N-O 2.83Å; I224-V245 HydrophobicContact CG2-CG1 4.4Å; I226-V245 HydrophobicContact CB-CB 4.46Å; I226-V245 HydrophobicContact CB-CG1 4.03Å; I226-V245 HydrophobicContact CD1-CG1 4.38Å; I226-V245 HydrophobicContact CG1-CG1 4.33Å; I226-V245 CarbonylContact O-C 3.57Å; I226-V245 VanDerWaalsContact O-CA 3.28Å; I226-V245 WeakPolarHBondContact O-CA 3.19Å; Y243-V245 HydrophobicContact CD2-CG1 4.01Å; Y243-V245 HydrophobicContact CD2-CG2 3.87Å; Y243-V245 HydrophobicContact CE2-CG2 3.9Å; Y243-V245 HydrophobicContact CG-CG1 4.4Å; V245-V247 HydrophobicContact CG2-CG2 4.42Å |
| 246 | G | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I197 I226 P227 V228 L229 | I197-G246 CarbonylContact O-C 3.5Å; I197-G246 WeakPolarHBondContact O-CA 3.06Å; I226-G246 PolarHBondContact O-N 3.28Å; P227-G246 WeakPolarHBondContact O-CA 3.35Å; V228-G246 CarbonylContact C-O 3.57Å; V228-G246 WeakPolarHBondContact CA-O 3.45Å; L229-G246 WeakPolarHBondContact CB-O 3.16Å; L229-G246 PolarHBondContact N-O 2.96Å |
| 247 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126.1 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | I196 I197 T198 L229 L234 V245 L251 V255 | I196-V247 HydrophobicContact CG2-CB 4.09Å; I196-V247 HydrophobicContact CG2-CG2 3.87Å; I197-V247 PolarHBondContact O-N 2.8Å; T198-V247 VanDerWaalsContact CA-O 3.26Å; T198-V247 WeakPolarHBondContact CA-O 3.44Å; T198-V247 VanDerWaalsContact CB-O 3.31Å; T198-V247 WeakPolarHBondContact CB-O 3.46Å; T198-V247 PolarHBondContact OG1-O 2.86Å; L229-V247 HydrophobicContact CB-CG2 4.35Å; L229-V247 HydrophobicContact CD2-CG2 4.28Å; L234-V247 HydrophobicContact CD2-CG1 4.43Å; V245-V247 HydrophobicContact CG2-CG2 4.42Å; V247-L251 HydrophobicContact CG1-CB 3.81Å; V247-V255 HydrophobicContact CG1-CG2 4.01Å; V247-V255 HydrophobicContact CG2-CG2 4.49Å |
| 248 | H | 96.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 138.5 | 175.7 | -177.6 | -103.3 | 0 | 0 | 0 | 111.1 | F55 S199 R200 L202 S250 L251 | F55-H248 HydrophobicContact CB-CB 4.06Å; F55-H248 WeakPolarHBondContact CB-ND1 3.33Å; S199-H248 PolarHBondContact O-CD2 3.29Å; S199-H248 VanDerWaalsContact O-CD2 3.29Å; R200-H248 WeakPolarHBondContact CA-NE2 3.29Å; R200-H248 PolarHBondContact O-NE2 3.13Å; R200-H248 VanDerWaalsContact O-NE2 3.11Å; L202-H248 HydrophobicContact CD2-CB 4.12Å; H248-S250 PolarHBondContact ND1-N 3.11Å; H248-S250 PolarHBondContact ND1-OG 3.2Å; H248-S250 PolarHBondContact O-N 3.31Å; H248-L251 WeakPolarHBondContact O-CB 3.43Å; H248-L251 PolarHBondContact O-N 3.43Å |
| 249 | Y | 94.8 | Very high | 93.9 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 33% | 0.333 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -53.9 | -32.6 | -171.1 | -177.9 | -91.9 | 0 | 0 | 0 | 114.3 | T198 S199 R200 L251 L252 | T198-Y249 WeakPolarHBondContact OG1-CA 3.23Å; S199-Y249 PolarHBondContact O-N 3.3Å; R200-Y249 HydrophobicContact CG-CD1 3.9Å; R200-Y249 HydrophobicContact CG-CG 3.88Å; Y249-L251 PolarHBondContact O-N 2.84Å; Y249-L252 HydrophobicContact CD2-CD2 4.11Å; Y249-L252 HydrophobicContact CE2-CD2 4.06Å; Y249-L252 VanDerWaalsContact O-CB 3.3Å; Y249-L252 WeakPolarHBondContact O-CB 3.44Å; Y249-L252 PolarHBondContact O-N 3.31Å |
| 250 | S | 93.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -63.5 | -23.9 | 177 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | D56 V60 H248 | D56-S250 VanDerWaalsContact CB-OG 3.28Å; D56-S250 WeakPolarHBondContact CB-OG 3.4Å; D56-S250 PolarHBondContact N-OG 2.9Å; D56-S250 VanDerWaalsContact N-OG 3.16Å; V60-S250 VanDerWaalsContact CG2-CB 3.41Å; H248-S250 PolarHBondContact ND1-N 3.11Å; H248-S250 PolarHBondContact ND1-OG 3.2Å; H248-S250 PolarHBondContact O-N 3.31Å |
| 251 | L | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -93.6 | -12.8 | 179.5 | -57.3 | 176.7 | 0 | 0 | 0 | 112.5 | D56 P231 L234 V247 H248 Y249 E253 R254 V255 | D56-L251 HydrophobicContact CB-CD2 3.89Å; P231-L251 HydrophobicContact CB-CD1 4.49Å; P231-L251 HydrophobicContact CB-CD2 4.17Å; P231-L251 HydrophobicContact CG-CD1 3.96Å; P231-L251 HydrophobicContact CG-CD2 3.97Å; L234-L251 HydrophobicContact CD1-CB 4.1Å; L234-L251 HydrophobicContact CD1-CD2 4.32Å; L234-L251 HydrophobicContact CD2-CB 4.34Å; L234-L251 HydrophobicContact CD2-CD1 4.24Å; V247-L251 HydrophobicContact CG1-CB 3.81Å; H248-L251 WeakPolarHBondContact O-CB 3.43Å; H248-L251 PolarHBondContact O-N 3.43Å; Y249-L251 PolarHBondContact O-N 2.84Å; L251-E253 VanDerWaalsContact C-N 3.25Å; L251-E253 PolarHBondContact O-N 2.84Å; L251-R254 WeakPolarHBondContact O-CB 3.19Å; L251-R254 PolarHBondContact O-N 2.98Å; L251-V255 PolarHBondContact O-N 3.38Å |
| 252 | L | 93.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58 | -35.7 | -176.3 | -177.3 | 66.1 | 0 | 0 | 0 | 112.9 | T198 Y249 V255 R256 I265 | T198-L252 HydrophobicContact CG2-CD1 4.03Å; T198-L252 HydrophobicContact CG2-CD2 3.83Å; T198-L252 HydrophobicContact CG2-CG 4.48Å; Y249-L252 HydrophobicContact CD2-CD2 4.11Å; Y249-L252 HydrophobicContact CE2-CD2 4.06Å; Y249-L252 VanDerWaalsContact O-CB 3.3Å; Y249-L252 WeakPolarHBondContact O-CB 3.44Å; Y249-L252 PolarHBondContact O-N 3.31Å; L252-V255 PolarHBondContact O-N 3.39Å; L252-R256 WeakPolarHBondContact O-CB 3.46Å; L252-R256 WeakPolarHBondContact O-CG 3.29Å; L252-R256 PolarHBondContact O-N 2.94Å; L252-I265 HydrophobicContact CD1-CG2 4.32Å |
| 253 | E | 92.8 | Very high | 92.7 | Very high | 119 Ų | 119 | 46 Ų | 46 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.2 | -46.5 | 174.8 | -175.4 | -179.8 | -120.9 | 0 | 0 | 111.4 | R59 L251 V255 R256 S257 | R59-E253 IonicContact CZ-OE2 3.87Å; R59-E253 IonicContact NH1-OE2 3.62Å; R59-E253 PolarHBondContact NH1-OE2 3.12Å; R59-E253 IonicContact NH2-OE2 3.55Å; R59-E253 PolarHBondContact NH2-OE2 3.1Å; R59-E253 VanDerWaalsContact NH2-OE2 3.12Å; L251-E253 VanDerWaalsContact C-N 3.25Å; L251-E253 PolarHBondContact O-N 2.84Å; E253-V255 PolarHBondContact O-N 3.42Å; E253-R256 PolarHBondContact O-N 3.03Å; E253-S257 PolarHBondContact O-N 3.42Å; E253-S257 PolarHBondContact O-OG 2.81Å |
| 254 | R | 93.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 46 Ų | 46 | 26% | 0.26 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -22 | 176.1 | -54.7 | -176.2 | -176.8 | -145.9 | 5.3 | 112.9 | E25 D56 L234 L251 S257 R258 | E25-R254 IonicContact OE1-CZ 3.4Å; E25-R254 IonicContact OE1-NH1 2.69Å; E25-R254 PolarHBondContact OE1-NH1 3.19Å; E25-R254 IonicContact OE1-NH2 2.71Å; E25-R254 IonicContact OE2-CZ 2.82Å; E25-R254 IonicContact OE2-NH1 2.75Å; E25-R254 PolarHBondContact OE2-NH1 3.14Å; E25-R254 IonicContact OE2-NH2 3.56Å; E25-R254 PolarHBondContact OE2-NH2 3.05Å; D56-R254 IonicContact OD2-CZ 3.21Å; D56-R254 IonicContact OD2-NE 3.34Å; D56-R254 PolarHBondContact OD2-NE 2.9Å; D56-R254 IonicContact OD2-NH2 2.7Å; D56-R254 PolarHBondContact OD2-NH2 3.18Å; L234-R254 HydrophobicContact CD1-CB 3.99Å; L251-R254 WeakPolarHBondContact O-CB 3.19Å; L251-R254 PolarHBondContact O-N 2.98Å; R254-S257 WeakPolarHBondContact CA-OG 3.34Å; R254-S257 PolarHBondContact O-OG 2.94Å; R254-R258 WeakPolarHBondContact O-CD 3.17Å; R254-R258 WeakPolarHBondContact O-CG 3.29Å; R254-R258 PolarHBondContact O-NE 3Å |
| 255 | V | 93 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -83.1 | -41.9 | 173.4 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | I196 L234 C237 V247 L251 L252 E253 S257 R258 L260 | I196-V255 HydrophobicContact CD1-CG1 3.87Å; L234-V255 HydrophobicContact CB-CG2 4.3Å; L234-V255 HydrophobicContact CD1-CG2 4.15Å; L234-V255 HydrophobicContact CD2-CG2 3.67Å; L234-V255 HydrophobicContact CG-CG2 4.24Å; C237-V255 HydrophobicContact CB-CG1 4.21Å; V247-V255 HydrophobicContact CG1-CG2 4.01Å; V247-V255 HydrophobicContact CG2-CG2 4.49Å; L251-V255 PolarHBondContact O-N 3.38Å; L252-V255 PolarHBondContact O-N 3.39Å; E253-V255 PolarHBondContact O-N 3.42Å; V255-S257 VanDerWaalsContact C-N 3.35Å; V255-S257 PolarHBondContact O-N 3.07Å; V255-R258 WeakPolarHBondContact O-CB 3.26Å; V255-R258 PolarHBondContact O-N 3.02Å; V255-L260 HydrophobicContact CG1-CD1 3.95Å; V255-L260 HydrophobicContact CG1-CD2 4.2Å; V255-L260 WeakPolarHBondContact O-CG 3.24Å |
| 256 | R | 91.3 | Very high | 92.8 | Very high | 117 Ų | 117 | 46.5 Ų | 46.5 | 44% | 0.442 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.8 | -22 | 176.2 | -76.3 | 178.7 | 168.2 | 178.2 | -3.7 | 114.6 | L252 E253 E274 | L252-R256 WeakPolarHBondContact O-CB 3.46Å; L252-R256 WeakPolarHBondContact O-CG 3.29Å; L252-R256 PolarHBondContact O-N 2.94Å; E253-R256 PolarHBondContact O-N 3.03Å; R256-E274 IonicContact CZ-OE1 3.31Å; R256-E274 IonicContact CZ-OE2 3.57Å; R256-E274 IonicContact NH2-OE1 3.4Å; R256-E274 PolarHBondContact NH2-OE1 3.49Å; R256-E274 IonicContact NH2-OE2 2.69Å; R256-E274 PolarHBondContact NH2-OE2 2.75Å |
| 257 | S | 90.1 | Very high | 92.7 | Very high | 99 Ų | 99 | 47.2 Ų | 47.2 | 69% | 0.692 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -10.2 | 173.2 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | E253 R254 V255 | E253-S257 PolarHBondContact O-N 3.42Å; E253-S257 PolarHBondContact O-OG 2.81Å; R254-S257 WeakPolarHBondContact CA-OG 3.34Å; R254-S257 PolarHBondContact O-OG 2.94Å; V255-S257 VanDerWaalsContact C-N 3.35Å; V255-S257 PolarHBondContact O-N 3.07Å |
| 258 | R | 90 | Very high | 92.7 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -87.6 | 159.7 | 173.2 | -63.4 | 162.6 | 171.8 | -88.6 | 9.7 | 109.7 | D235 R254 V255 L260 | D235-R258 IonicContact OD1-CZ 3.37Å; D235-R258 IonicContact OD1-NH1 2.68Å; D235-R258 PolarHBondContact OD1-NH1 3.42Å; D235-R258 IonicContact OD1-NH2 3.65Å; D235-R258 IonicContact OD2-CZ 2.65Å; D235-R258 IonicContact OD2-NH1 3.12Å; D235-R258 PolarHBondContact OD2-NH1 3.15Å; D235-R258 IonicContact OD2-NH2 3.73Å; D235-R258 PolarHBondContact OD2-NH2 3.37Å; R254-R258 WeakPolarHBondContact O-CD 3.17Å; R254-R258 WeakPolarHBondContact O-CG 3.29Å; R254-R258 PolarHBondContact O-NE 3Å; V255-R258 WeakPolarHBondContact O-CB 3.26Å; V255-R258 PolarHBondContact O-N 3.02Å; R258-L260 PolarHBondContact O-N 3.14Å |
| 259 | S | 82.2 | Confident | 92.7 | Very high | 106 Ų | 106 | 50.1 Ų | 50.1 | 74% | 0.741 | 25% | 0.253 | S | S | * | . | trans | -73.9 | 72.7 | 176 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 260 | L | 84.7 | Confident | 92.8 | Very high | 44 Ų | 44 | 49.8 Ų | 49.8 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | trans | -67.8 | 129.8 | 167.9 | -56.5 | 178.4 | 0 | 0 | 0 | 109.1 | C237 V255 R258 V263 I265 | C237-L260 HydrophobicContact CB-CD2 4.06Å; V255-L260 HydrophobicContact CG1-CD1 3.95Å; V255-L260 HydrophobicContact CG1-CD2 4.2Å; V255-L260 WeakPolarHBondContact O-CG 3.24Å; R258-L260 PolarHBondContact O-N 3.14Å; L260-V263 HydrophobicContact CB-CG2 4.45Å; L260-I265 HydrophobicContact CD1-CD1 4.33Å | ||
| 261 | E | 80.4 | Confident | 92.9 | Very high | 124 Ų | 124 | 51.1 Ų | 51.1 | 58% | 0.579 | 27% | 0.265 | S | S | * | . | trans | -82 | -156 | 168.8 | -63.9 | -178.4 | -176.9 | 0 | 0 | 110.5 | R194 V263 | R194-E261 IonicContact CZ-OE2 3.47Å; R194-E261 VanDerWaalsContact CZ-OE2 3.24Å; R194-E261 IonicContact NH1-OE2 2.7Å; R194-E261 PolarHBondContact NH1-OE2 2.95Å; R194-E261 IonicContact NH2-OE2 3.63Å; R194-E261 PolarHBondContact NH2-OE2 3.14Å; E261-V263 WeakPolarHBondContact O-CG2 3.42Å; E261-V263 PolarHBondContact O-N 3.01Å | ||
| 262 | D | 91.3 | Very high | 93.1 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -59.8 | 105 | 173.1 | -57.4 | -46.9 | 0 | 0 | 0 | 111.4 | R194 P276 F277 | R194-D262 PolarHBondContact NE-O 3.27Å; R194-D262 PolarHBondContact NH2-O 3.32Å; D262-P276 HydrophobicContact CB-CG 3.87Å; D262-F277 HydrophobicContact CB-CE1 3.95Å; D262-F277 HydrophobicContact CB-CE2 4.19Å; D262-F277 HydrophobicContact CB-CZ 3.42Å; D262-F277 VanDerWaalsContact CB-CZ 3.42Å |
| 263 | V | 95.9 | Very high | 93.2 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | trans | -136.8 | 140.6 | -176.1 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | R194 I196 Y243 L260 E261 I265 | R194-V263 HydrophobicContact CB-CB 4.48Å; R194-V263 HydrophobicContact CB-CG1 4.46Å; R194-V263 HydrophobicContact CB-CG2 3.96Å; I196-V263 HydrophobicContact CD1-CG1 3.85Å; I196-V263 HydrophobicContact CG1-CG1 3.79Å; Y243-V263 HydrophobicContact CE2-CG1 4.48Å; Y243-V263 WeakPolarHBondContact OH-CG2 3.47Å; L260-V263 HydrophobicContact CB-CG2 4.45Å; E261-V263 WeakPolarHBondContact O-CG2 3.42Å; E261-V263 PolarHBondContact O-N 3.01Å; V263-I265 HydrophobicContact CG1-CG1 4.07Å | ||
| 264 | V | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.2 | 172.4 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | R193 R194 I195 I196 L273 E274 F277 | R193-V264 HydrophobicContact CB-CG2 4.17Å; R193-V264 HydrophobicContact CG-CG2 4.37Å; R194-V264 PolarHBondContact O-N 3.39Å; I195-V264 CarbonylContact C-O 3.48Å; I195-V264 WeakPolarHBondContact CA-O 3.4Å; I195-V264 HydrophobicContact CG1-CB 4.3Å; I196-V264 PolarHBondContact N-O 3.5Å; V264-L273 HydrophobicContact CG1-CD1 4.39Å; V264-L273 HydrophobicContact CG1-CD2 4.25Å; V264-L273 HydrophobicContact CG1-CG 4.28Å; V264-E274 CarbonylContact C-O 3.57Å; V264-E274 WeakPolarHBondContact CA-O 3.39Å; V264-F277 HydrophobicContact CG2-CD2 3.86Å; V264-F277 HydrophobicContact CG2-CE2 4.17Å |
| 265 | I | 97.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117.1 | -179.9 | -49.8 | -176.7 | 0 | 0 | 0 | 109.7 | I196 T198 L252 L260 V263 L273 E274 | I196-I265 HydrophobicContact CB-CG1 4.39Å; I196-I265 HydrophobicContact CB-CG2 4.45Å; I196-I265 WeakPolarHBondContact O-CA 3.15Å; T198-I265 HydrophobicContact CG2-CG2 4.42Å; L252-I265 HydrophobicContact CD1-CG2 4.32Å; L260-I265 HydrophobicContact CD1-CD1 4.33Å; V263-I265 HydrophobicContact CG1-CG1 4.07Å; I265-L273 WeakPolarHBondContact O-CA 3.36Å; I265-E274 HydrophobicContact CB-CB 4.38Å; I265-E274 PolarHBondContact N-O 3.16Å; I265-E274 PolarHBondContact O-N 3.41Å |
| 266 | L | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 115.2 | 168.6 | 175.5 | 65.6 | 0 | 0 | 0 | 110.3 | V177 N181 L185 I196 T198 V268 L273 | V177-L266 HydrophobicContact CG1-CD2 3.92Å; V177-L266 HydrophobicContact CG2-CD2 4.16Å; N181-L266 HydrophobicContact CB-CD1 4.04Å; L185-L266 HydrophobicContact CD1-CD2 3.59Å; L185-L266 HydrophobicContact CD2-CB 4.32Å; L185-L266 HydrophobicContact CD2-CD2 4.37Å; L185-L266 HydrophobicContact CG-CD2 4.07Å; I196-L266 PolarHBondContact O-N 3.39Å; T198-L266 PolarHBondContact N-O 3.33Å; L266-V268 HydrophobicContact CD2-CG2 4.14Å; L266-V268 HydrophobicContact CG-CG2 4.23Å; L266-L273 HydrophobicContact CB-CD1 4.39Å; L266-L273 HydrophobicContact CD1-CB 4Å; L266-L273 HydrophobicContact CD1-CD1 4.35Å |
| 267 | N | 97.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 109.9 | 162.7 | -174.5 | 6.6 | 0 | 0 | 0 | 109.7 | T198 D269 T270 N271 T272 | T198-N267 HydrophobicContact CG2-CB 3.77Å; T198-N267 PolarHBondContact O-OD1 2.98Å; N267-D269 PolarHBondContact OD1-N 3.49Å; N267-T270 VanDerWaalsContact CG-OG1 3.28Å; N267-T270 PolarHBondContact ND2-OG1 3.41Å; N267-N271 VanDerWaalsContact O-CA 3.3Å; N267-N271 WeakPolarHBondContact O-CA 3.48Å; N267-N271 PolarHBondContact O-N 3.2Å; N267-T272 PolarHBondContact N-O 2.62Å; N267-T272 PolarHBondContact O-N 3.39Å; N267-T272 VanDerWaalsContact O-N 3.14Å |
| 268 | V | 97.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -69.7 | -39.2 | -176.9 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | A176 V177 I197 T198 T204 L266 T270 N271 | A176-V268 HydrophobicContact CB-CG1 3.69Å; V177-V268 HydrophobicContact CG2-CG1 3.94Å; V177-V268 HydrophobicContact CG2-CG2 4.16Å; I197-V268 HydrophobicContact CG2-CG2 3.54Å; T198-V268 PolarHBondContact O-N 3.5Å; T204-V268 HydrophobicContact CG2-CG1 4.02Å; L266-V268 HydrophobicContact CD2-CG2 4.14Å; L266-V268 HydrophobicContact CG-CG2 4.23Å; V268-T270 PolarHBondContact O-N 3.26Å; V268-T270 VanDerWaalsContact O-N 3.08Å; V268-N271 PolarHBondContact O-N 2.86Å; V268-N271 VanDerWaalsContact O-N 3.14Å; V268-N271 PolarHBondContact O-ND2 2.89Å |
| 269 | D | 95.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 32% | 0.316 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -60.8 | -23.8 | -178 | -68.9 | 15 | 0 | 0 | 0 | 113.5 | S199 R200 N267 | S199-D269 VanDerWaalsContact CA-OD1 3.23Å; S199-D269 WeakPolarHBondContact CA-OD1 3.22Å; S199-D269 VanDerWaalsContact CB-OD1 3.28Å; S199-D269 WeakPolarHBondContact CB-OD1 3.47Å; S199-D269 PolarHBondContact OG-OD1 3.36Å; R200-D269 VanDerWaalsContact CB-OD2 3.24Å; R200-D269 WeakPolarHBondContact CB-OD2 2.99Å; R200-D269 VanDerWaalsContact CD-OD2 3.25Å; R200-D269 WeakPolarHBondContact CD-OD2 3.49Å; R200-D269 WeakPolarHBondContact CG-OD2 3.15Å; R200-D269 IonicContact CZ-OD2 3.81Å; R200-D269 PolarHBondContact N-OD1 2.97Å; R200-D269 PolarHBondContact N-OD2 3.39Å; R200-D269 VanDerWaalsContact N-OD2 3.08Å; R200-D269 IonicContact NE-OD2 3.24Å; R200-D269 IonicContact NH1-OD2 2.74Å; R200-D269 PolarHBondContact NH1-OD2 2.79Å; N267-D269 PolarHBondContact OD1-N 3.49Å |
| 270 | T | 96.5 | Very high | 94.6 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 47% | 0.472 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -118.3 | -0.9 | 178.7 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | N267 V268 T272 | N267-T270 VanDerWaalsContact CG-OG1 3.28Å; N267-T270 PolarHBondContact ND2-OG1 3.41Å; V268-T270 PolarHBondContact O-N 3.26Å; V268-T270 VanDerWaalsContact O-N 3.08Å; T270-T272 PolarHBondContact O-N 2.86Å; T270-T272 VanDerWaalsContact O-N 3.14Å; T270-T272 PolarHBondContact OG1-OG1 3.34Å |
| 271 | N | 97.7 | Very high | 95 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 22% | 0.219 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 35.2 | -168.7 | -94.6 | -80.1 | 0 | 0 | 0 | 114.3 | A176 D178 N181 N267 V268 | A176-N271 PolarHBondContact O-ND2 3.21Å; D178-N271 PolarHBondContact N-OD1 3.31Å; N181-N271 WeakPolarHBondContact ND2-CB 3.31Å; N181-N271 PolarHBondContact ND2-O 2.9Å; N181-N271 PolarHBondContact ND2-OD1 3.36Å; N267-N271 VanDerWaalsContact O-CA 3.3Å; N267-N271 WeakPolarHBondContact O-CA 3.48Å; N267-N271 PolarHBondContact O-N 3.2Å; V268-N271 PolarHBondContact O-N 2.86Å; V268-N271 VanDerWaalsContact O-N 3.14Å; V268-N271 PolarHBondContact O-ND2 2.89Å |
| 272 | T | 97.1 | Very high | 95.6 | Very high | 66 Ų | 66 | 48.9 Ų | 48.9 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 118.3 | 177.4 | 52.7 | 0 | 0 | 0 | 0 | 110.2 | N267 T270 | N267-T272 PolarHBondContact N-O 2.62Å; N267-T272 PolarHBondContact O-N 3.39Å; N267-T272 VanDerWaalsContact O-N 3.14Å; T270-T272 PolarHBondContact O-N 2.86Å; T270-T272 VanDerWaalsContact O-N 3.14Å; T270-T272 PolarHBondContact OG1-OG1 3.34Å |
| 273 | L | 97.2 | Very high | 95.7 | Very high | 38 Ų | 38 | 44.9 Ų | 44.9 | 20% | 0.199 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.9 | 174.8 | -172.2 | 143.8 | 0 | 0 | 0 | 110.4 | Q184 V264 I265 L266 T275 | Q184-L273 HydrophobicContact CB-CD1 3.64Å; Q184-L273 HydrophobicContact CB-CD2 4.19Å; V264-L273 HydrophobicContact CG1-CD1 4.39Å; V264-L273 HydrophobicContact CG1-CD2 4.25Å; V264-L273 HydrophobicContact CG1-CG 4.28Å; I265-L273 WeakPolarHBondContact O-CA 3.36Å; L266-L273 HydrophobicContact CB-CD1 4.39Å; L266-L273 HydrophobicContact CD1-CB 4Å; L266-L273 HydrophobicContact CD1-CD1 4.35Å; L273-T275 HydrophobicContact CD2-CG2 3.6Å |
| 274 | E | 95.1 | Very high | 95.7 | Very high | 88 Ų | 88 | 44.4 Ų | 44.4 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.5 | 174.4 | -66.4 | 165.4 | -167.8 | 0 | 0 | 108.1 | R256 V264 I265 | R256-E274 IonicContact CZ-OE1 3.31Å; R256-E274 IonicContact CZ-OE2 3.57Å; R256-E274 IonicContact NH2-OE1 3.4Å; R256-E274 PolarHBondContact NH2-OE1 3.49Å; R256-E274 IonicContact NH2-OE2 2.69Å; R256-E274 PolarHBondContact NH2-OE2 2.75Å; V264-E274 CarbonylContact C-O 3.57Å; V264-E274 WeakPolarHBondContact CA-O 3.39Å; I265-E274 HydrophobicContact CB-CB 4.38Å; I265-E274 PolarHBondContact N-O 3.16Å; I265-E274 PolarHBondContact O-N 3.41Å |
| 275 | T | 95.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 49 Ų | 49 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | trans | -146.7 | 137.3 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | L273 F277 | L273-T275 HydrophobicContact CD2-CG2 3.6Å; T275-F277 VanDerWaalsContact C-N 3.31Å; T275-F277 WeakPolarHBondContact CG2-O 3.43Å; T275-F277 PolarHBondContact OG1-N 3.23Å; T275-F277 PolarHBondContact OG1-O 2.82Å | ||
| 276 | P | 94.1 | Very high | 95.4 | Very high | 77 Ų | 77 | 53.5 Ų | 53.5 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -82.7 | -9.4 | 166.6 | 34 | -33.3 | 0 | 0 | 0 | 112.7 | D262 | D262-P276 HydrophobicContact CB-CG 3.87Š|
| 277 | F | 95 | Very high | 95.3 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 18% | 0.184 | 30% | 0.3 | C | S | . | . | trans | -107.6 | 145.5 | -174 | -43.9 | -70.2 | 0 | 0 | 0 | 112.9 | R193 D262 V264 T275 | R193-F277 HydrophobicContact CB-CE2 4.36Å; R193-F277 HydrophobicContact CG-CD2 3.92Å; R193-F277 HydrophobicContact CG-CE2 3.94Å; D262-F277 HydrophobicContact CB-CE1 3.95Å; D262-F277 HydrophobicContact CB-CE2 4.19Å; D262-F277 HydrophobicContact CB-CZ 3.42Å; D262-F277 VanDerWaalsContact CB-CZ 3.42Å; V264-F277 HydrophobicContact CG2-CD2 3.86Å; V264-F277 HydrophobicContact CG2-CE2 4.17Å; T275-F277 VanDerWaalsContact C-N 3.31Å; T275-F277 WeakPolarHBondContact CG2-O 3.43Å; T275-F277 PolarHBondContact OG1-N 3.23Å; T275-F277 PolarHBondContact OG1-O 2.82Å | ||
| 278 | D | 93.2 | Very high | 95.2 | Very high | 103 Ų | 103 | 54.6 Ų | 54.6 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | trans | -100.5 | 50 | 171.6 | -166.7 | 12.9 | 0 | 0 | 0 | 111.8 | L280 H281 | D278-L280 VanDerWaalsContact C-N 3.26Å; D278-L280 PolarHBondContact O-N 3.1Å; D278-H281 VanDerWaalsContact CG-CB 3.44Å; D278-H281 PolarHBondContact O-N 3.33Å; D278-H281 VanDerWaalsContact O-N 3.16Å; D278-H281 WeakPolarHBondContact OD1-CB 3.46Å; D278-H281 VanDerWaalsContact OD2-CB 3.31Å; D278-H281 WeakPolarHBondContact OD2-CB 3.41Å; D278-H281 IonicContact OD2-CG 2.69Å | ||
| 279 | D | 94.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.011 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64 | -29.4 | -172 | -73.4 | -17.3 | 0 | 0 | 0 | 113.3 | A187 H191 R193 H281 N282 | A187-D279 HydrophobicContact CB-CB 4.1Å; H191-D279 IonicContact CD2-OD1 2.94Å; H191-D279 PolarHBondContact CD2-OD1 3.19Å; H191-D279 VanDerWaalsContact CD2-OD1 3.26Å; H191-D279 PolarHBondContact CE1-O 2.91Å; H191-D279 VanDerWaalsContact CG-CG 3.48Å; H191-D279 IonicContact CG-OD1 3.99Å; H191-D279 IonicContact CG-OD2 3.54Å; H191-D279 IonicContact NE2-OD1 2.81Å; R193-D279 WeakPolarHBondContact CG-OD2 3.48Å; R193-D279 IonicContact CZ-OD1 2.7Å; R193-D279 IonicContact CZ-OD2 2.65Å; R193-D279 IonicContact NE-OD1 3.32Å; R193-D279 PolarHBondContact NE-OD1 3.06Å; R193-D279 IonicContact NE-OD2 3.26Å; R193-D279 PolarHBondContact NE-OD2 3.08Å; R193-D279 IonicContact NH2-OD1 3.74Å; R193-D279 PolarHBondContact NH2-OD1 3.14Å; R193-D279 IonicContact NH2-OD2 3.58Å; D279-H281 VanDerWaalsContact C-N 3.31Å; D279-H281 PolarHBondContact O-N 3Å; D279-N282 PolarHBondContact O-N 3.49Å |
| 280 | L | 94.4 | Very high | 95.3 | Very high | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.168 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.6 | -26.4 | 177.9 | -175.7 | 61.1 | 0 | 0 | 0 | 112.7 | L183 Q184 A187 D278 L283 V288 | L183-L280 HydrophobicContact CB-CD1 4.12Å; L183-L280 HydrophobicContact CB-CD2 4.18Å; Q184-L280 HydrophobicContact CG-CD2 4.1Å; Q184-L280 VanDerWaalsContact OE1-CB 3.25Å; A187-L280 HydrophobicContact CB-CB 4.04Å; A187-L280 HydrophobicContact CB-CD1 4.14Å; D278-L280 VanDerWaalsContact C-N 3.26Å; D278-L280 PolarHBondContact O-N 3.1Å; L280-L283 HydrophobicContact CD1-CD1 4.25Å; L280-V288 HydrophobicContact CD1-CG1 3.79Å; L280-V288 HydrophobicContact CD1-CG2 3.87Å; L280-V288 HydrophobicContact CG-CG1 4.43Å |
| 281 | H | 92.1 | Very high | 95.3 | Very high | 138 Ų | 138 | 54.7 Ų | 54.7 | 64% | 0.639 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -76.3 | -25.1 | 173.6 | -177.9 | -88.3 | 0 | 0 | 0 | 112.6 | D278 D279 L283 | D278-H281 VanDerWaalsContact CG-CB 3.44Å; D278-H281 PolarHBondContact O-N 3.33Å; D278-H281 VanDerWaalsContact O-N 3.16Å; D278-H281 WeakPolarHBondContact OD1-CB 3.46Å; D278-H281 VanDerWaalsContact OD2-CB 3.31Å; D278-H281 WeakPolarHBondContact OD2-CB 3.41Å; D278-H281 IonicContact OD2-CG 2.69Å; D279-H281 VanDerWaalsContact C-N 3.31Å; D279-H281 PolarHBondContact O-N 3Å; H281-L283 VanDerWaalsContact C-N 3.25Å; H281-L283 PolarHBondContact O-N 3.15Å |
| 282 | N | 92.5 | Very high | 95.3 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71.8 | -19.7 | 174.5 | -63.9 | -30 | 0 | 0 | 0 | 112.8 | H191 D279 | H191-N282 WeakPolarHBondContact NE2-CB 3.39Å; H191-N282 PolarHBondContact NE2-ND2 3.38Å; H191-N282 VanDerWaalsContact NE2-ND2 3.14Å; D279-N282 PolarHBondContact O-N 3.49Å |
| 283 | L | 94.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -78.1 | 144.2 | 175.6 | -61 | -171.7 | 0 | 0 | 0 | 111.7 | Y186 A187 L190 L280 H281 S285 V288 F351 | Y186-L283 HydrophobicContact CD1-CD1 4.48Å; A187-L283 HydrophobicContact CB-CD1 3.77Å; A187-L283 HydrophobicContact CB-CG 4.29Å; L190-L283 HydrophobicContact CD1-CD1 4.3Å; L190-L283 HydrophobicContact CD1-CD2 4.08Å; L280-L283 HydrophobicContact CD1-CD1 4.25Å; H281-L283 VanDerWaalsContact C-N 3.25Å; H281-L283 PolarHBondContact O-N 3.15Å; L283-S285 PolarHBondContact O-N 3.27Å; L283-V288 HydrophobicContact CB-CG2 3.63Å; L283-V288 HydrophobicContact CD1-CG2 4.12Å; L283-F351 HydrophobicContact CD2-CD2 3.63Å; L283-F351 HydrophobicContact CD2-CE2 3.46Å; L283-F351 VanDerWaalsContact CD2-CE2 3.46Å; L283-F351 HydrophobicContact CD2-CZ 4.4Å |
| 284 | P | 94.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.032 | 32% | 0.319 | C | S | . | . | trans | -52.1 | 120.5 | 171.1 | -26.8 | 34.3 | 0 | 0 | 0 | 112.9 | D286 V287 V288 L317 M348 | P284-D286 VanDerWaalsContact C-N 3.29Å; P284-D286 WeakPolarHBondContact CB-OD1 3.39Å; P284-D286 PolarHBondContact O-N 3.41Å; P284-V287 HydrophobicContact CB-CB 4.41Å; P284-V287 HydrophobicContact CB-CG2 4.06Å; P284-V287 PolarHBondContact O-N 3.23Å; P284-V287 VanDerWaalsContact O-N 3.11Å; P284-V288 PolarHBondContact O-N 3.36Å; P284-L317 HydrophobicContact CG-CD2 3.95Å; P284-M348 HydrophobicContact CB-CE 4.41Å; P284-M348 HydrophobicContact CG-CB 4.21Å; P284-M348 HydrophobicContact CG-CE 3.72Å; P284-M348 HydrophobicContact CG-SD 3.83Å | ||
| 285 | S | 94.7 | Very high | 95.3 | Very high | 97 Ų | 97 | 51.6 Ų | 51.6 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70.7 | -22.3 | -170.7 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | L283 S289 | L283-S285 PolarHBondContact O-N 3.27Å; S285-S289 WeakPolarHBondContact O-CB 3.44Å; S285-S289 PolarHBondContact O-N 3.21Å; S285-S289 PolarHBondContact O-OG 3.21Å |
| 286 | D | 94.7 | Very high | 95.2 | Very high | 106 Ų | 106 | 56.2 Ų | 56.2 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.5 | -45.6 | 168.3 | 60.8 | -39.4 | 0 | 0 | 0 | 111.4 | P284 S289 A290 | P284-D286 VanDerWaalsContact C-N 3.29Å; P284-D286 WeakPolarHBondContact CB-OD1 3.39Å; P284-D286 PolarHBondContact O-N 3.41Å; D286-S289 PolarHBondContact O-OG 3.14Å; D286-A290 WeakPolarHBondContact O-CB 3.27Å; D286-A290 PolarHBondContact O-N 3.28Å |
| 287 | V | 95.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 58.4 Ų | 58.4 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | P284 S289 A290 L291 A313 A316 L317 | P284-V287 HydrophobicContact CB-CB 4.41Å; P284-V287 HydrophobicContact CB-CG2 4.06Å; P284-V287 PolarHBondContact O-N 3.23Å; P284-V287 VanDerWaalsContact O-N 3.11Å; V287-S289 PolarHBondContact O-N 3.46Å; V287-A290 PolarHBondContact O-N 3.47Å; V287-L291 WeakPolarHBondContact O-CB 3.26Å; V287-L291 PolarHBondContact O-N 3.21Å; V287-A313 HydrophobicContact CG1-CB 3.89Å; V287-A316 HydrophobicContact CG1-CB 4.2Å; V287-A316 HydrophobicContact CG2-CB 3.83Å; V287-L317 HydrophobicContact CB-CD2 4.42Å; V287-L317 HydrophobicContact CG1-CD2 4.27Å; V287-L317 HydrophobicContact CG1-CG 4.16Å; V287-L317 HydrophobicContact CG2-CD2 4.32Å |
| 288 | V | 97 | Very high | 94.9 | Very high | 23 Ų | 23 | 64.6 Ų | 64.6 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | L280 L283 P284 K292 | L280-V288 HydrophobicContact CD1-CG1 3.79Å; L280-V288 HydrophobicContact CD1-CG2 3.87Å; L280-V288 HydrophobicContact CG-CG1 4.43Å; L283-V288 HydrophobicContact CB-CG2 3.63Å; L283-V288 HydrophobicContact CD1-CG2 4.12Å; P284-V288 PolarHBondContact O-N 3.36Å; V288-K292 WeakPolarHBondContact O-CB 3.45Å; V288-K292 PolarHBondContact O-N 3.26Å |
| 289 | S | 96.7 | Very high | 94.8 | Very high | 75 Ų | 75 | 64.4 Ų | 64.4 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.6 | -36.7 | 179 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | S285 D286 V287 G293 | S285-S289 WeakPolarHBondContact O-CB 3.44Å; S285-S289 PolarHBondContact O-N 3.21Å; S285-S289 PolarHBondContact O-OG 3.21Å; D286-S289 PolarHBondContact O-OG 3.14Å; V287-S289 PolarHBondContact O-N 3.46Å; S289-G293 WeakPolarHBondContact O-CA 3.36Å; S289-G293 PolarHBondContact O-N 3.41Å |
| 290 | A | 96.6 | Very high | 94.6 | Very high | 62 Ų | 62 | 65 Ų | 65 | 51% | 0.512 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | D286 V287 G293 K294 | D286-A290 WeakPolarHBondContact O-CB 3.27Å; D286-A290 PolarHBondContact O-N 3.28Å; V287-A290 PolarHBondContact O-N 3.47Å; A290-G293 PolarHBondContact O-N 3.16Å; A290-K294 PolarHBondContact O-N 3.28Å |
| 291 | L | 97.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -51.9 | 174.9 | 177.5 | 57.5 | 0 | 0 | 0 | 110.9 | L183 Y186 V287 G293 K294 L295 A309 F310 A313 | L183-L291 HydrophobicContact CD2-CB 4.38Å; L183-L291 HydrophobicContact CD2-CD2 3.47Å; L183-L291 VanDerWaalsContact CD2-CD2 3.47Å; L183-L291 HydrophobicContact CD2-CG 3.77Å; Y186-L291 HydrophobicContact CD1-CD2 4.28Å; Y186-L291 HydrophobicContact CE1-CD2 4.17Å; V287-L291 WeakPolarHBondContact O-CB 3.26Å; V287-L291 PolarHBondContact O-N 3.21Å; L291-G293 VanDerWaalsContact C-N 3.26Å; L291-G293 PolarHBondContact O-N 3.37Å; L291-K294 PolarHBondContact O-N 3.26Å; L291-K294 VanDerWaalsContact O-N 3.07Å; L291-L295 HydrophobicContact CD1-CD1 3.93Å; L291-L295 HydrophobicContact CD1-CG 4.11Å; L291-L295 HydrophobicContact CG-CD1 4.01Å; L291-L295 WeakPolarHBondContact O-CG 3.3Å; L291-L295 PolarHBondContact O-N 2.86Å; L291-A309 HydrophobicContact CD1-CB 3.85Å; L291-A309 WeakPolarHBondContact CD1-O 3.5Å; L291-F310 HydrophobicContact CD1-CD1 4.28Å; L291-F310 HydrophobicContact CD1-CD2 4.05Å; L291-F310 HydrophobicContact CD1-CE1 4.44Å; L291-F310 HydrophobicContact CD1-CE2 4.23Å; L291-F310 HydrophobicContact CD1-CG 4.09Å; L291-F310 HydrophobicContact CD1-CZ 4.41Å; L291-F310 HydrophobicContact CD2-CD1 3.94Å; L291-F310 HydrophobicContact CD2-CE1 3.78Å; L291-F310 HydrophobicContact CD2-CZ 4.28Å; L291-A313 HydrophobicContact CB-CB 4.47Å; L291-A313 HydrophobicContact CD1-CB 4.44Å; L291-A313 HydrophobicContact CD2-CB 3.89Å |
| 292 | K | 97.4 | Very high | 94.2 | Very high | 64 Ų | 64 | 61.2 Ų | 61.2 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.2 | -37.8 | 176.1 | -165.2 | 167.7 | -163.6 | 162.1 | 0 | 112.5 | I179 N180 L183 V288 K296 | I179-K292 HydrophobicContact CG2-CG 4.32Å; N180-K292 WeakPolarHBondContact OD1-CE 3.18Å; N180-K292 PolarHBondContact OD1-NZ 2.81Å; L183-K292 HydrophobicContact CD1-CB 3.83Å; L183-K292 HydrophobicContact CD1-CD 3.71Å; L183-K292 HydrophobicContact CD1-CG 3.77Å; V288-K292 WeakPolarHBondContact O-CB 3.45Å; V288-K292 PolarHBondContact O-N 3.26Å; K292-K296 WeakPolarHBondContact O-CG 3.31Å; K292-K296 PolarHBondContact O-N 3.08Å |
| 293 | G | 96.6 | Very high | 94.2 | Very high | 35 Ų | 35 | 59 Ų | 59 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -73.3 | -22.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S289 A290 L291 K297 | S289-G293 WeakPolarHBondContact O-CA 3.36Å; S289-G293 PolarHBondContact O-N 3.41Å; A290-G293 PolarHBondContact O-N 3.16Å; L291-G293 VanDerWaalsContact C-N 3.26Å; L291-G293 PolarHBondContact O-N 3.37Å; G293-K297 WeakPolarHBondContact O-CE 3.29Å; G293-K297 WeakPolarHBondContact O-CG 3.49Å |
| 294 | K | 95.9 | Very high | 94.2 | Very high | 65 Ų | 65 | 60.4 Ų | 60.4 | 28% | 0.283 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -77.5 | -54.1 | 166.2 | -79.6 | -168.8 | 173.4 | -166.6 | 0 | 111.2 | A290 L291 K296 K297 T300 A309 R312 | A290-K294 PolarHBondContact O-N 3.28Å; L291-K294 PolarHBondContact O-N 3.26Å; L291-K294 VanDerWaalsContact O-N 3.07Å; K294-K296 PolarHBondContact O-N 2.87Å; K294-K296 VanDerWaalsContact O-N 3.1Å; K294-K297 WeakPolarHBondContact O-CB 3.37Å; K294-K297 PolarHBondContact O-N 3Å; K294-T300 HydrophobicContact CB-CG2 4.46Å; K294-T300 WeakPolarHBondContact O-CB 3.46Å; K294-T300 PolarHBondContact O-OG1 2.9Å; K294-A309 HydrophobicContact CB-CB 3.89Å; K294-A309 HydrophobicContact CD-CB 3.82Å; K294-R312 VanDerWaalsContact NZ-CD 3.31Å |
| 295 | L | 95.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.7 | -28.3 | -174.1 | -65.4 | 172.4 | 0 | 0 | 0 | 113.6 | I179 L291 K297 V306 A309 F310 | I179-L295 HydrophobicContact CD1-CB 4.18Å; I179-L295 WeakPolarHBondContact CD1-O 3.42Å; I179-L295 HydrophobicContact CG1-CB 4.28Å; I179-L295 HydrophobicContact CG2-CB 3.84Å; I179-L295 HydrophobicContact CG2-CD1 4.03Å; L291-L295 HydrophobicContact CD1-CD1 3.93Å; L291-L295 HydrophobicContact CD1-CG 4.11Å; L291-L295 HydrophobicContact CG-CD1 4.01Å; L291-L295 WeakPolarHBondContact O-CG 3.3Å; L291-L295 PolarHBondContact O-N 2.86Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3Å; L295-V306 HydrophobicContact CD2-CB 4.4Å; L295-V306 HydrophobicContact CD2-CG1 3.9Å; L295-V306 HydrophobicContact CD2-CG2 4.41Å; L295-A309 HydrophobicContact CD2-CB 4.08Å; L295-F310 HydrophobicContact CD1-CE2 3.61Å; L295-F310 HydrophobicContact CD1-CZ 3.81Å; L295-F310 HydrophobicContact CD2-CD2 4.25Å; L295-F310 HydrophobicContact CD2-CE2 3.77Å; L295-F310 HydrophobicContact CG-CE2 4.28Å |
| 296 | K | 95.4 | Very high | 94.3 | Very high | 149 Ų | 149 | 56.4 Ų | 56.4 | 65% | 0.648 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -9.2 | 173.8 | -78.8 | -172.8 | 169.7 | -161.3 | 0 | 115.5 | I179 K292 K294 | I179-K296 HydrophobicContact CD1-CG 3.94Å; K292-K296 WeakPolarHBondContact O-CG 3.31Å; K292-K296 PolarHBondContact O-N 3.08Å; K294-K296 PolarHBondContact O-N 2.87Å; K294-K296 VanDerWaalsContact O-N 3.1Å |
| 297 | K | 94.3 | Very high | 94.4 | Very high | 123 Ų | 123 | 51.7 Ų | 51.7 | 54% | 0.535 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -89 | 128.4 | -178.4 | -65 | 179.5 | 179.8 | -172.4 | 0 | 110.1 | G293 K294 L295 S299 T300 | G293-K297 WeakPolarHBondContact O-CE 3.29Å; G293-K297 WeakPolarHBondContact O-CG 3.49Å; K294-K297 WeakPolarHBondContact O-CB 3.37Å; K294-K297 PolarHBondContact O-N 3Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3Å; K297-S299 PolarHBondContact O-N 3.48Å; K297-T300 WeakPolarHBondContact O-CA 3.15Å; K297-T300 VanDerWaalsContact O-CB 3.29Å; K297-T300 WeakPolarHBondContact O-CB 3.43Å; K297-T300 PolarHBondContact O-N 2.98Å |
| 298 | Q | 88.6 | Confident | 94.4 | Very high | 172 Ų | 172 | 56.7 Ų | 56.7 | 80% | 0.804 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -54.6 | -36.4 | 176.6 | -70.2 | 172.3 | -23.8 | 0 | 0 | 112.5 | T300 A301 | Q298-T300 PolarHBondContact O-N 3.34Å; Q298-T300 VanDerWaalsContact O-N 3.1Å; Q298-A301 WeakPolarHBondContact O-CB 3.41Å; Q298-A301 PolarHBondContact O-N 3Å |
| 299 | S | 89.6 | Confident | 94.4 | Very high | 98 Ų | 98 | 55.7 Ų | 55.7 | 69% | 0.685 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -68.3 | -2.3 | 174.3 | 57.4 | 0 | 0 | 0 | 0 | 115.4 | K297 | K297-S299 PolarHBondContact O-N 3.48Š|
| 300 | T | 90.3 | Very high | 94.4 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -101.7 | -13.7 | 172.9 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | K294 K297 Q298 T302 G305 V306 A309 | K294-T300 HydrophobicContact CB-CG2 4.46Å; K294-T300 WeakPolarHBondContact O-CB 3.46Å; K294-T300 PolarHBondContact O-OG1 2.9Å; K297-T300 WeakPolarHBondContact O-CA 3.15Å; K297-T300 VanDerWaalsContact O-CB 3.29Å; K297-T300 WeakPolarHBondContact O-CB 3.43Å; K297-T300 PolarHBondContact O-N 2.98Å; Q298-T300 PolarHBondContact O-N 3.34Å; Q298-T300 VanDerWaalsContact O-N 3.1Å; T300-T302 VanDerWaalsContact C-N 3.29Å; T300-T302 PolarHBondContact O-N 2.93Å; T300-G305 VanDerWaalsContact CG2-C 3.44Å; T300-G305 WeakPolarHBondContact CG2-O 3.48Å; T300-G305 CarbonylContact O-C 3.59Å; T300-G305 WeakPolarHBondContact O-CA 3.38Å; T300-V306 WeakPolarHBondContact O-CG2 3.45Å; T300-V306 PolarHBondContact O-N 2.98Å; T300-A309 HydrophobicContact CG2-CB 4.3Å |
| 301 | A | 87.4 | Confident | 94.4 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -78 | -6.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I164 F174 Q298 | I164-A301 VanDerWaalsContact CG2-O 3.25Å; I164-A301 WeakPolarHBondContact CG2-O 3.46Å; F174-A301 HydrophobicContact CE1-CB 3.68Å; F174-A301 HydrophobicContact CZ-CB 4.17Å; Q298-A301 WeakPolarHBondContact O-CB 3.41Å; Q298-A301 PolarHBondContact O-N 3Å |
| 302 | T | 91 | Very high | 94.4 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -128.1 | 159.1 | -179.8 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | I164 T300 G305 | I164-T302 CarbonylContact O-C 3.55Å; I164-T302 WeakPolarHBondContact O-CA 3.29Å; T300-T302 VanDerWaalsContact C-N 3.29Å; T300-T302 PolarHBondContact O-N 2.93Å; T302-G305 PolarHBondContact O-N 2.97Å |
| 303 | G | 93.9 | Very high | 94.4 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | 58.7 | -147.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T163 I164 G305 | T163-G303 CarbonylContact C-O 3.54Å; T163-G303 VanDerWaalsContact CA-O 3.28Å; T163-G303 WeakPolarHBondContact CA-O 3.34Å; I164-G303 PolarHBondContact N-O 3.37Å; I164-G303 PolarHBondContact O-N 2.77Å; G303-G305 PolarHBondContact O-N 3.42Å |
| 304 | S | 93.6 | Very high | 94.4 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 16 | 177.9 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | V306 A307 R308 | S304-V306 PolarHBondContact O-N 3.29Å; S304-A307 PolarHBondContact O-N 3.31Å; S304-R308 VanDerWaalsContact O-CB 3.27Å; S304-R308 WeakPolarHBondContact O-CB 3.4Å; S304-R308 PolarHBondContact O-N 3.27Å |
| 305 | G | 95.4 | Very high | 94.4 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.6 | -55.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T300 T302 G303 R308 A309 | T300-G305 VanDerWaalsContact CG2-C 3.44Å; T300-G305 WeakPolarHBondContact CG2-O 3.48Å; T300-G305 CarbonylContact O-C 3.59Å; T300-G305 WeakPolarHBondContact O-CA 3.38Å; T302-G305 PolarHBondContact O-N 2.97Å; G303-G305 PolarHBondContact O-N 3.42Å; G305-R308 PolarHBondContact O-N 2.98Å; G305-A309 WeakPolarHBondContact O-CB 3.48Å; G305-A309 PolarHBondContact O-N 3.3Å |
| 306 | V | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.9 | -52 | 177.4 | 179.9 | 0 | 0 | 0 | 0 | 111 | I164 L170 F174 M182 L215 L295 T300 S304 R308 A309 F310 | I164-V306 HydrophobicContact CD1-CB 4.25Å; I164-V306 HydrophobicContact CD1-CG2 3.66Å; L170-V306 HydrophobicContact CD1-CG1 4.05Å; F174-V306 HydrophobicContact CD1-CG2 4.33Å; F174-V306 HydrophobicContact CD2-CG1 4.24Å; F174-V306 HydrophobicContact CD2-CG2 3.76Å; F174-V306 HydrophobicContact CE1-CG2 4.34Å; F174-V306 HydrophobicContact CE2-CG2 3.77Å; F174-V306 HydrophobicContact CG-CG2 4.05Å; F174-V306 HydrophobicContact CZ-CG2 4.07Å; M182-V306 HydrophobicContact CE-CG1 4.23Å; L215-V306 HydrophobicContact CD2-CG1 4.41Å; L295-V306 HydrophobicContact CD2-CB 4.4Å; L295-V306 HydrophobicContact CD2-CG1 3.9Å; L295-V306 HydrophobicContact CD2-CG2 4.41Å; T300-V306 WeakPolarHBondContact O-CG2 3.45Å; T300-V306 PolarHBondContact O-N 2.98Å; S304-V306 PolarHBondContact O-N 3.29Å; V306-R308 VanDerWaalsContact C-N 3.35Å; V306-R308 PolarHBondContact O-N 3.13Å; V306-A309 WeakPolarHBondContact O-CB 3.29Å; V306-A309 PolarHBondContact O-N 3.35Å; V306-F310 HydrophobicContact CG1-CD2 4.19Å; V306-F310 HydrophobicContact CG1-CE2 4.18Å; V306-F310 WeakPolarHBondContact O-CD2 3.33Å; V306-F310 PolarHBondContact O-N 2.84Å |
| 307 | A | 96.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -42.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L161 P162 L170 S304 A309 F310 L311 | L161-A307 HydrophobicContact CB-CB 4.13Å; P162-A307 HydrophobicContact CG-CB 4.12Å; P162-A307 WeakPolarHBondContact O-CB 3.37Å; L170-A307 HydrophobicContact CD2-CB 4.3Å; S304-A307 PolarHBondContact O-N 3.31Å; A307-A309 VanDerWaalsContact C-N 3.33Å; A307-A309 PolarHBondContact O-N 2.81Å; A307-F310 PolarHBondContact O-N 2.83Å; A307-L311 WeakPolarHBondContact O-CB 3.34Å; A307-L311 PolarHBondContact O-N 3.4Å |
| 308 | R | 95.9 | Very high | 94.4 | Very high | 121 Ų | 121 | 33.8 Ų | 33.8 | 46% | 0.457 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -70.8 | -25.1 | 176.4 | -173.1 | 173.4 | -75.3 | 170.2 | -6.3 | 112.9 | L161 S304 G305 V306 R312 E385 | L161-R308 HydrophobicContact CD1-CB 4.19Å; S304-R308 VanDerWaalsContact O-CB 3.27Å; S304-R308 WeakPolarHBondContact O-CB 3.4Å; S304-R308 PolarHBondContact O-N 3.27Å; G305-R308 PolarHBondContact O-N 2.98Å; V306-R308 VanDerWaalsContact C-N 3.35Å; V306-R308 PolarHBondContact O-N 3.13Å; R308-R312 WeakPolarHBondContact O-CB 3.37Å; R308-R312 PolarHBondContact O-N 3.13Å; R308-R312 VanDerWaalsContact O-N 3.16Å; R308-E385 WeakPolarHBondContact CG-OE2 3.3Å |
| 309 | A | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66 | -48.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | L291 K294 L295 T300 G305 V306 A307 R312 A313 | L291-A309 HydrophobicContact CD1-CB 3.85Å; L291-A309 WeakPolarHBondContact CD1-O 3.5Å; K294-A309 HydrophobicContact CB-CB 3.89Å; K294-A309 HydrophobicContact CD-CB 3.82Å; L295-A309 HydrophobicContact CD2-CB 4.08Å; T300-A309 HydrophobicContact CG2-CB 4.3Å; G305-A309 WeakPolarHBondContact O-CB 3.48Å; G305-A309 PolarHBondContact O-N 3.3Å; V306-A309 WeakPolarHBondContact O-CB 3.29Å; V306-A309 PolarHBondContact O-N 3.35Å; A307-A309 VanDerWaalsContact C-N 3.33Å; A307-A309 PolarHBondContact O-N 2.81Å; A309-R312 PolarHBondContact O-N 2.93Å; A309-A313 PolarHBondContact O-N 2.99Å |
| 310 | F | 97.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.2 | -38.9 | 175.8 | -78.6 | -90.6 | 0 | 0 | 0 | 112.9 | M182 Y186 L215 L291 L295 V306 A307 R312 A313 Q314 | M182-F310 HydrophobicContact CB-CZ 4.32Å; M182-F310 HydrophobicContact CE-CE2 4.04Å; M182-F310 HydrophobicContact CE-CZ 4.31Å; Y186-F310 HydrophobicContact CD1-CD1 4.34Å; Y186-F310 HydrophobicContact CD1-CE1 4.13Å; Y186-F310 AromaticContact CD2-CD1 3.8Å; Y186-F310 HydrophobicContact CD2-CD1 3.8Å; Y186-F310 AromaticContact CD2-CE1 3.97Å; Y186-F310 HydrophobicContact CD2-CE1 3.97Å; Y186-F310 HydrophobicContact CE1-CD1 4.47Å; Y186-F310 AromaticContact CE2-CD1 3.97Å; Y186-F310 HydrophobicContact CE2-CD1 3.97Å; Y186-F310 HydrophobicContact CG-CD1 4Å; Y186-F310 AromaticContact CG-CE1 3.74Å; Y186-F310 HydrophobicContact CG-CE1 3.74Å; L215-F310 HydrophobicContact CB-CB 4.02Å; L215-F310 HydrophobicContact CB-CD1 4.02Å; L215-F310 HydrophobicContact CB-CD2 4.39Å; L215-F310 HydrophobicContact CB-CG 3.89Å; L215-F310 HydrophobicContact CD1-CD1 4.28Å; L215-F310 HydrophobicContact CD1-CD2 3.73Å; L215-F310 HydrophobicContact CD1-CE1 4.24Å; L215-F310 HydrophobicContact CD1-CE2 3.68Å; L215-F310 HydrophobicContact CD1-CG 4.04Å; L215-F310 HydrophobicContact CD1-CZ 3.95Å; L215-F310 HydrophobicContact CD2-CB 3.97Å; L215-F310 HydrophobicContact CD2-CD2 3.76Å; L215-F310 HydrophobicContact CD2-CE2 4.49Å; L215-F310 HydrophobicContact CD2-CG 3.96Å; L215-F310 HydrophobicContact CG-CB 4.47Å; L215-F310 HydrophobicContact CG-CD2 4.17Å; L215-F310 HydrophobicContact CG-CG 4.17Å; L291-F310 HydrophobicContact CD1-CD1 4.28Å; L291-F310 HydrophobicContact CD1-CD2 4.05Å; L291-F310 HydrophobicContact CD1-CE1 4.44Å; L291-F310 HydrophobicContact CD1-CE2 4.23Å; L291-F310 HydrophobicContact CD1-CG 4.09Å; L291-F310 HydrophobicContact CD1-CZ 4.41Å; L291-F310 HydrophobicContact CD2-CD1 3.94Å; L291-F310 HydrophobicContact CD2-CE1 3.78Å; L291-F310 HydrophobicContact CD2-CZ 4.28Å; L295-F310 HydrophobicContact CD1-CE2 3.61Å; L295-F310 HydrophobicContact CD1-CZ 3.81Å; L295-F310 HydrophobicContact CD2-CD2 4.25Å; L295-F310 HydrophobicContact CD2-CE2 3.77Å; L295-F310 HydrophobicContact CG-CE2 4.28Å; V306-F310 HydrophobicContact CG1-CD2 4.19Å; V306-F310 HydrophobicContact CG1-CE2 4.18Å; V306-F310 WeakPolarHBondContact O-CD2 3.33Å; V306-F310 PolarHBondContact O-N 2.84Å; A307-F310 PolarHBondContact O-N 2.83Å; F310-R312 VanDerWaalsContact C-N 3.25Å; F310-R312 PolarHBondContact O-N 2.96Å; F310-A313 WeakPolarHBondContact O-CA 3.44Å; F310-A313 WeakPolarHBondContact O-CB 3.28Å; F310-A313 PolarHBondContact O-N 3.12Å; F310-Q314 PolarHBondContact O-N 3.05Å |
| 311 | L | 96.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.4 | -43.4 | 172.1 | -177.4 | 74.4 | 0 | 0 | 0 | 111.8 | L161 F217 A307 A313 Q314 A315 V381 F382 E385 | L161-L311 HydrophobicContact CD1-CD2 4.13Å; L161-L311 HydrophobicContact CD2-CD2 4.4Å; F217-L311 HydrophobicContact CD1-CD1 3.73Å; F217-L311 HydrophobicContact CE1-CD1 3.94Å; A307-L311 WeakPolarHBondContact O-CB 3.34Å; A307-L311 PolarHBondContact O-N 3.4Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-Q314 PolarHBondContact O-N 3.25Å; L311-A315 WeakPolarHBondContact O-CB 3.49Å; L311-A315 PolarHBondContact O-N 3.3Å; L311-V381 HydrophobicContact CD2-CB 4.08Å; L311-V381 HydrophobicContact CD2-CG1 3.72Å; L311-F382 HydrophobicContact CD1-CB 3.95Å; L311-F382 HydrophobicContact CD1-CD2 4.11Å; L311-E385 HydrophobicContact CD2-CB 3.96Å; L311-E385 HydrophobicContact CD2-CG 4.31Å; L311-E385 HydrophobicContact CG-CB 4.21Å; L311-E385 HydrophobicContact CG-CG 4.31Å |
| 312 | R | 96.1 | Very high | 95 | Very high | 92 Ų | 92 | 21.9 Ų | 21.9 | 35% | 0.347 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -68.6 | -32.3 | 177.1 | -168.1 | 174 | -171.8 | 106.3 | -4.5 | 112.7 | K294 R308 A309 F310 A315 A316 E385 F391 | K294-R312 VanDerWaalsContact NZ-CD 3.31Å; R308-R312 WeakPolarHBondContact O-CB 3.37Å; R308-R312 PolarHBondContact O-N 3.13Å; R308-R312 VanDerWaalsContact O-N 3.16Å; A309-R312 PolarHBondContact O-N 2.93Å; F310-R312 VanDerWaalsContact C-N 3.25Å; F310-R312 PolarHBondContact O-N 2.96Å; R312-A315 PolarHBondContact O-N 2.87Å; R312-A316 WeakPolarHBondContact O-CB 3.4Å; R312-A316 PolarHBondContact O-N 3.37Å; R312-E385 HydrophobicContact CB-CG 4.03Å; R312-E385 WeakPolarHBondContact CB-OE1 3.09Å; R312-E385 WeakPolarHBondContact CD-OE1 3.41Å; R312-E385 HydrophobicContact CG-CG 4.22Å; R312-E385 WeakPolarHBondContact CG-OE1 3.3Å; R312-E385 IonicContact CZ-OE1 3.5Å; R312-E385 IonicContact NE-OE1 3.67Å; R312-E385 IonicContact NH1-OE1 2.68Å; R312-E385 PolarHBondContact NH1-OE1 3.11Å; R312-F391 HydrophobicContact CG-CE2 3.8Å; R312-F391 HydrophobicContact CG-CZ 3.81Å |
| 313 | A | 97.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.2 | -47 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y186 V287 L291 A309 F310 L311 A315 A316 L317 | Y186-A313 HydrophobicContact CE1-CB 4.38Å; V287-A313 HydrophobicContact CG1-CB 3.89Å; L291-A313 HydrophobicContact CB-CB 4.47Å; L291-A313 HydrophobicContact CD1-CB 4.44Å; L291-A313 HydrophobicContact CD2-CB 3.89Å; A309-A313 PolarHBondContact O-N 2.99Å; F310-A313 WeakPolarHBondContact O-CA 3.44Å; F310-A313 WeakPolarHBondContact O-CB 3.28Å; F310-A313 PolarHBondContact O-N 3.12Å; L311-A313 VanDerWaalsContact C-N 3.34Å; A313-A315 VanDerWaalsContact C-N 3.3Å; A313-A315 PolarHBondContact O-N 3.23Å; A313-A316 PolarHBondContact O-N 3.32Å; A313-L317 WeakPolarHBondContact O-CB 3.35Å; A313-L317 VanDerWaalsContact O-CG 3.29Å; A313-L317 WeakPolarHBondContact O-CG 3.39Å; A313-L317 PolarHBondContact O-N 2.89Å |
| 314 | Q | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -55.9 | -44.6 | 171.9 | -70 | -68.3 | 80.2 | 0 | 0 | 111.3 | Y186 L216 F310 L311 A316 L317 F318 F382 | Y186-Q314 HydrophobicContact CE2-CG 4.45Å; Y186-Q314 PolarHBondContact OH-OE1 2.79Å; L216-Q314 PolarHBondContact O-NE2 3.41Å; F310-Q314 PolarHBondContact O-N 3.05Å; L311-Q314 PolarHBondContact O-N 3.25Å; Q314-A316 PolarHBondContact O-N 2.81Å; Q314-L317 PolarHBondContact O-N 2.74Å; Q314-F318 WeakPolarHBondContact O-CB 3.48Å; Q314-F318 PolarHBondContact O-N 3.35Å; Q314-F382 HydrophobicContact CB-CD2 4.41Å; Q314-F382 HydrophobicContact CB-CE2 3.91Å |
| 315 | A | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.5 | -36.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L311 R312 A313 G319 F382 E385 I386 F391 | L311-A315 WeakPolarHBondContact O-CB 3.49Å; L311-A315 PolarHBondContact O-N 3.3Å; R312-A315 PolarHBondContact O-N 2.87Å; A313-A315 VanDerWaalsContact C-N 3.3Å; A313-A315 PolarHBondContact O-N 3.23Å; A315-G319 WeakPolarHBondContact O-CA 3.13Å; A315-G319 PolarHBondContact O-N 3.44Å; A315-F382 HydrophobicContact CB-CD2 4.33Å; A315-F382 HydrophobicContact CB-CE2 4.17Å; A315-E385 HydrophobicContact CB-CB 4.37Å; A315-E385 HydrophobicContact CB-CG 3.98Å; A315-I386 HydrophobicContact CB-CG1 3.84Å; A315-F391 HydrophobicContact CB-CD2 3.68Å; A315-F391 HydrophobicContact CB-CE2 4.01Å; A315-F391 VanDerWaalsContact O-CB 3.25Å; A315-F391 WeakPolarHBondContact O-CB 3.49Å |
| 316 | A | 94.8 | Very high | 94.4 | Very high | 22 Ų | 22 | 22.8 Ų | 22.8 | 18% | 0.182 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -73.4 | -34.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V287 R312 A313 Q314 F391 | V287-A316 HydrophobicContact CG1-CB 4.2Å; V287-A316 HydrophobicContact CG2-CB 3.83Å; R312-A316 WeakPolarHBondContact O-CB 3.4Å; R312-A316 PolarHBondContact O-N 3.37Å; A313-A316 PolarHBondContact O-N 3.32Å; Q314-A316 PolarHBondContact O-N 2.81Å; A316-F391 HydrophobicContact CB-CD1 3.84Å; A316-F391 HydrophobicContact CB-CE1 3.61Å; A316-F391 HydrophobicContact CB-CE2 4.45Å; A316-F391 HydrophobicContact CB-CG 4.37Å; A316-F391 HydrophobicContact CB-CZ 3.93Å |
| 317 | L | 95.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -77.2 | -40.2 | 178.3 | -69.5 | 175.8 | 0 | 0 | 0 | 112.8 | Y186 L190 P284 V287 A313 Q314 M348 F351 L352 | Y186-L317 HydrophobicContact CE1-CD1 4.35Å; L190-L317 HydrophobicContact CD1-CD1 3.58Å; P284-L317 HydrophobicContact CG-CD2 3.95Å; V287-L317 HydrophobicContact CB-CD2 4.42Å; V287-L317 HydrophobicContact CG1-CD2 4.27Å; V287-L317 HydrophobicContact CG1-CG 4.16Å; V287-L317 HydrophobicContact CG2-CD2 4.32Å; A313-L317 WeakPolarHBondContact O-CB 3.35Å; A313-L317 VanDerWaalsContact O-CG 3.29Å; A313-L317 WeakPolarHBondContact O-CG 3.39Å; A313-L317 PolarHBondContact O-N 2.89Å; Q314-L317 PolarHBondContact O-N 2.74Å; L317-M348 HydrophobicContact CD2-CE 4.44Å; L317-F351 HydrophobicContact CB-CE1 3.83Å; L317-F351 HydrophobicContact CB-CZ 4.1Å; L317-F351 HydrophobicContact CD1-CZ 4.06Å; L317-F351 HydrophobicContact CD2-CD1 4.29Å; L317-F351 HydrophobicContact CD2-CE1 3.92Å; L317-F351 HydrophobicContact CD2-CZ 4.13Å; L317-F351 HydrophobicContact CG-CE1 4.29Å; L317-F351 HydrophobicContact CG-CZ 4.32Å; L317-L352 WeakPolarHBondContact O-CD2 3.48Å |
| 318 | F | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -117.2 | -9.4 | -168.9 | -63 | -85.7 | 0 | 0 | 0 | 114.7 | L190 M219 Q314 S320 Y321 F340 F351 A355 F361 F382 | L190-F318 HydrophobicContact CD2-CE2 3.86Å; L190-F318 HydrophobicContact CD2-CZ 3.94Å; M219-F318 HydrophobicContact CE-CB 3.87Å; M219-F318 HydrophobicContact CE-CD1 3.75Å; M219-F318 HydrophobicContact CE-CD2 3.8Å; M219-F318 HydrophobicContact CE-CE1 4.14Å; M219-F318 HydrophobicContact CE-CE2 4.23Å; M219-F318 HydrophobicContact CE-CG 3.55Å; M219-F318 HydrophobicContact CE-CZ 4.38Å; M219-F318 HydrophobicContact SD-CD2 4.42Å; M219-F318 HydrophobicContact SD-CE1 4.35Å; M219-F318 HydrophobicContact SD-CE2 4.28Å; M219-F318 HydrophobicContact SD-CZ 4.23Å; Q314-F318 WeakPolarHBondContact O-CB 3.48Å; Q314-F318 PolarHBondContact O-N 3.35Å; F318-S320 PolarHBondContact O-N 3.08Å; F318-Y321 WeakPolarHBondContact O-CB 3.15Å; F318-Y321 WeakPolarHBondContact O-CD1 3.39Å; F318-Y321 PolarHBondContact O-N 2.8Å; F318-F340 HydrophobicContact CD1-CZ 4.21Å; F318-F351 HydrophobicContact CE1-CE1 4.39Å; F318-F351 HydrophobicContact CE1-CZ 4.26Å; F318-F351 HydrophobicContact CE2-CZ 4.05Å; F318-F351 HydrophobicContact CZ-CE1 4.22Å; F318-F351 AromaticContact CZ-CZ 3.71Å; F318-F351 HydrophobicContact CZ-CZ 3.71Å; F318-A355 HydrophobicContact CE1-CB 3.95Å; F318-F361 AromaticContact CD1-CD2 3.49Å; F318-F361 HydrophobicContact CD1-CD2 3.49Å; F318-F361 VanDerWaalsContact CD1-CD2 3.49Å; F318-F361 AromaticContact CD1-CE2 3.57Å; F318-F361 HydrophobicContact CD1-CE2 3.57Å; F318-F361 HydrophobicContact CD1-CG 4.34Å; F318-F361 HydrophobicContact CD1-CZ 4.47Å; F318-F361 HydrophobicContact CE1-CB 4.43Å; F318-F361 AromaticContact CE1-CD2 3.7Å; F318-F361 HydrophobicContact CE1-CD2 3.7Å; F318-F361 HydrophobicContact CE1-CE2 4.2Å; F318-F361 HydrophobicContact CE1-CG 4.15Å; F318-F361 HydrophobicContact CG-CD2 4.49Å; F318-F361 HydrophobicContact CG-CE2 4.47Å; F318-F382 HydrophobicContact CB-CZ 4.4Å |
| 319 | G | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -59.4 | -23.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A315 Y321 F391 | A315-G319 WeakPolarHBondContact O-CA 3.13Å; A315-G319 PolarHBondContact O-N 3.44Å; G319-Y321 PolarHBondContact O-N 3.24Å; G319-F391 CarbonylContact C-O 3.59Å; G319-F391 VanDerWaalsContact C-O 3.25Å |
| 320 | S | 92 | Very high | 91.6 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -62 | -14.7 | 172.1 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | F318 R322 D323 F340 F391 | F318-S320 PolarHBondContact O-N 3.08Å; S320-R322 PolarHBondContact O-N 3.13Å; S320-R322 VanDerWaalsContact O-N 3.09Å; S320-D323 PolarHBondContact O-N 2.82Å; S320-F340 WeakPolarHBondContact OG-CE2 3.4Å; S320-F391 PolarHBondContact N-O 2.88Å |
| 321 | Y | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -55.6 | -30.6 | 178.3 | 93 | -84.7 | 0 | 0 | 0 | 112.4 | F318 G319 D323 A324 L325 F364 I365 R368 F382 E383 I386 Y399 | F318-Y321 WeakPolarHBondContact O-CB 3.15Å; F318-Y321 WeakPolarHBondContact O-CD1 3.39Å; F318-Y321 PolarHBondContact O-N 2.8Å; G319-Y321 PolarHBondContact O-N 3.24Å; Y321-D323 VanDerWaalsContact C-N 3.32Å; Y321-D323 PolarHBondContact O-N 2.98Å; Y321-A324 PolarHBondContact O-N 2.82Å; Y321-L325 HydrophobicContact CE2-CD1 4.3Å; Y321-L325 PolarHBondContact O-N 3.18Å; Y321-F364 HydrophobicContact CD1-CE1 4.23Å; Y321-F364 HydrophobicContact CD1-CZ 4.49Å; Y321-F364 HydrophobicContact CD2-CE1 4.34Å; Y321-F364 HydrophobicContact CE1-CE1 4.26Å; Y321-F364 HydrophobicContact CE1-CZ 4.11Å; Y321-F364 HydrophobicContact CE2-CE1 4.39Å; Y321-F364 HydrophobicContact CG-CE1 4.28Å; Y321-I365 HydrophobicContact CD2-CD1 3.56Å; Y321-I365 HydrophobicContact CE2-CD1 4.44Å; Y321-I365 HydrophobicContact CG-CD1 4Å; Y321-R368 HydrophobicContact CE2-CG 4.27Å; Y321-F382 HydrophobicContact CE1-CE1 4.04Å; Y321-E383 PolarHBondContact OH-OE1 2.86Å; Y321-E383 PolarHBondContact OH-OE2 2.72Å; Y321-I386 HydrophobicContact CE1-CD1 3.98Å; Y321-Y399 PolarHBondContact OH-OH 2.88Å |
| 322 | R | 90.3 | Very high | 90.8 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 6% | 0.06 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -58.7 | -39.6 | 175.7 | -70.9 | -179.1 | 170.3 | 177.4 | -6.2 | 112.9 | S320 A324 L325 E383 I386 T387 C392 Y399 | S320-R322 PolarHBondContact O-N 3.13Å; S320-R322 VanDerWaalsContact O-N 3.09Å; R322-A324 VanDerWaalsContact C-N 3.3Å; R322-L325 PolarHBondContact O-N 3Å; R322-E383 IonicContact CZ-OE2 3.35Å; R322-E383 IonicContact NE-OE2 3.13Å; R322-E383 PolarHBondContact NE-OE2 3.22Å; R322-E383 VanDerWaalsContact NE-OE2 3.13Å; R322-E383 VanDerWaalsContact NH2-CA 3.27Å; R322-E383 PolarHBondContact NH2-O 3.12Å; R322-E383 IonicContact NH2-OE2 2.7Å; R322-E383 PolarHBondContact NH2-OE2 3.28Å; R322-I386 VanDerWaalsContact NH1-CG2 3.33Å; R322-T387 PolarHBondContact NH1-OG1 2.81Å; R322-C392 HydrophobicContact CB-CB 4.37Å; R322-Y399 HydrophobicContact CG-CD1 4.34Å; R322-Y399 HydrophobicContact CG-CE1 4.08Å; R322-Y399 VanDerWaalsContact NE-CE1 3.31Å |
| 323 | D | 88.9 | Confident | 90.5 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -77 | -18.9 | -178.5 | -64.5 | -65 | 0 | 0 | 0 | 112.6 | S320 Y321 R326 G393 | S320-D323 PolarHBondContact O-N 2.82Å; Y321-D323 VanDerWaalsContact C-N 3.32Å; Y321-D323 PolarHBondContact O-N 2.98Å; D323-R326 PolarHBondContact O-NH1 3.16Å; D323-G393 PolarHBondContact OD2-N 3.12Å |
| 324 | A | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -87.1 | -7.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y321 R322 R326 F335 C336 F340 | Y321-A324 PolarHBondContact O-N 2.82Å; R322-A324 VanDerWaalsContact C-N 3.3Å; A324-R326 PolarHBondContact O-N 2.69Å; A324-F335 HydrophobicContact CB-CD2 4.07Å; A324-F335 HydrophobicContact CB-CE2 3.69Å; A324-F335 HydrophobicContact CB-CZ 4.39Å; A324-C336 WeakPolarHBondContact O-CB 3.48Å; A324-C336 PolarHBondContact O-N 2.91Å; A324-F340 HydrophobicContact CB-CB 3.68Å; A324-F340 HydrophobicContact CB-CD2 4.49Å |
| 325 | L | 91 | Very high | 90.2 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 131.5 | 172.6 | -65.1 | 174.7 | 0 | 0 | 0 | 110.5 | Y321 R322 I333 F335 L369 L372 Y399 | Y321-L325 HydrophobicContact CE2-CD1 4.3Å; Y321-L325 PolarHBondContact O-N 3.18Å; R322-L325 PolarHBondContact O-N 3Å; L325-I333 HydrophobicContact CD2-CG2 4.49Å; L325-F335 HydrophobicContact CD2-CD2 4.39Å; L325-L369 HydrophobicContact CD2-CD2 3.81Å; L325-L372 HydrophobicContact CD1-CD1 4.07Å; L325-Y399 HydrophobicContact CD1-CD2 4.31Å; L325-Y399 HydrophobicContact CD1-CE2 3.74Å |
| 326 | R | 89.2 | Confident | 90.2 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.9 | 178.3 | -62.4 | -56.7 | -168.9 | -130.3 | 3.5 | 110.2 | D323 A324 I333 T334 C336 S339 | D323-R326 PolarHBondContact O-NH1 3.16Å; A324-R326 PolarHBondContact O-N 2.69Å; R326-I333 WeakPolarHBondContact O-CA 3.22Å; R326-T334 PolarHBondContact N-O 3.49Å; R326-T334 PolarHBondContact O-N 3.35Å; R326-T334 VanDerWaalsContact O-N 3.12Å; R326-C336 HydrophobicContact CG-CB 3.59Å; R326-S339 PolarHBondContact NH2-OG 2.91Å |
| 327 | Y | 85.8 | Confident | 90.2 | Very high | 141 Ų | 141 | 53 Ų | 53 | 55% | 0.553 | 29% | 0.288 | S | S | * | . | trans | -109.7 | 126 | 172.4 | 173.2 | -101 | 0 | 0 | 0 | 109.6 | P329 I333 | Y327-P329 HydrophobicContact CE1-CG 3.95Å; Y327-I333 HydrophobicContact CD2-CG1 4.15Å | ||
| 328 | K | 83.6 | Confident | 90.1 | Very high | 108 Ų | 108 | 61 Ų | 61 | 47% | 0.47 | 33% | 0.325 | S | S | . | . | trans | -126.2 | 130.7 | 168.9 | -65.9 | 166.9 | 175.6 | -179.8 | 0 | 108.2 | G330 E331 | K328-G330 PolarHBondContact O-N 3.19Å; K328-E331 HydrophobicContact CB-CB 4.19Å; K328-E331 HydrophobicContact CB-CG 4.49Å; K328-E331 HydrophobicContact CD-CG 4.41Å; K328-E331 VanDerWaalsContact CD-OE1 3.3Å; K328-E331 WeakPolarHBondContact CD-OE1 3.43Å; K328-E331 WeakPolarHBondContact CD-OE2 3.39Å; K328-E331 VanDerWaalsContact NZ-CD 3.33Å; K328-E331 IonicContact NZ-OE1 2.6Å; K328-E331 PolarHBondContact NZ-OE1 2.78Å; K328-E331 VanDerWaalsContact NZ-OE1 3.13Å; K328-E331 IonicContact NZ-OE2 2.83Å; K328-E331 PolarHBondContact NZ-OE2 2.98Å; K328-E331 PolarHBondContact O-N 2.84Å; K328-E331 VanDerWaalsContact O-N 3.15Å | ||
| 329 | P | 80.6 | Confident | 89.9 | Confident | 114 Ų | 114 | 63 Ų | 63 | 74% | 0.74 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 110 | -176.5 | -25.1 | 34.3 | 0 | 0 | 0 | 113.3 | Y327 | Y327-P329 HydrophobicContact CE1-CG 3.95Š|
| 330 | G | 78.4 | Confident | 89.9 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 85% | 0.845 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.5 | -10.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K328 | K328-G330 PolarHBondContact O-N 3.19Š|
| 331 | E | 88.3 | Confident | 89.9 | Confident | 100 Ų | 100 | 62.3 Ų | 62.3 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -95.6 | 158.5 | 166.7 | -70.3 | 178.7 | -140.9 | 0 | 0 | 110 | K328 | K328-E331 HydrophobicContact CB-CB 4.19Å; K328-E331 HydrophobicContact CB-CG 4.49Å; K328-E331 HydrophobicContact CD-CG 4.41Å; K328-E331 VanDerWaalsContact CD-OE1 3.3Å; K328-E331 WeakPolarHBondContact CD-OE1 3.43Å; K328-E331 WeakPolarHBondContact CD-OE2 3.39Å; K328-E331 VanDerWaalsContact NZ-CD 3.33Å; K328-E331 IonicContact NZ-OE1 2.6Å; K328-E331 PolarHBondContact NZ-OE1 2.78Å; K328-E331 VanDerWaalsContact NZ-OE1 3.13Å; K328-E331 IonicContact NZ-OE2 2.83Å; K328-E331 PolarHBondContact NZ-OE2 2.98Å; K328-E331 PolarHBondContact O-N 2.84Å; K328-E331 VanDerWaalsContact O-N 3.15Å |
| 332 | P | 88.1 | Confident | 89.8 | Confident | 84 Ų | 84 | 68 Ų | 68 | 55% | 0.545 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 151.5 | 166.5 | 28.7 | -35.3 | 0 | 0 | 0 | 111.1 | ||
| 333 | I | 90.4 | Very high | 89.8 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 8% | 0.082 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 134.1 | 171.3 | -57.4 | 149.7 | 0 | 0 | 0 | 107.9 | L325 R326 Y327 L369 L372 N373 W402 | L325-I333 HydrophobicContact CD2-CG2 4.49Å; R326-I333 WeakPolarHBondContact O-CA 3.22Å; Y327-I333 HydrophobicContact CD2-CG1 4.15Å; I333-L369 HydrophobicContact CG2-CD2 4.04Å; I333-L372 HydrophobicContact CD1-CB 3.79Å; I333-L372 HydrophobicContact CD1-CD1 4.45Å; I333-L372 HydrophobicContact CG2-CD1 4.39Å; I333-N373 WeakPolarHBondContact CB-OD1 3.48Å; I333-N373 PolarHBondContact N-OD1 2.8Å; I333-N373 PolarHBondContact O-ND2 2.93Å; I333-W402 HydrophobicContact CD1-CH2 3.55Å; I333-W402 HydrophobicContact CD1-CZ2 3.43Å; I333-W402 VanDerWaalsContact CD1-CZ2 3.43Å; I333-W402 HydrophobicContact CG1-CZ2 4.41Å |
| 334 | T | 93.4 | Very high | 89.8 | Confident | 63 Ų | 63 | 80.7 Ų | 80.7 | 39% | 0.387 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 160.6 | -177.4 | 43.2 | 0 | 0 | 0 | 0 | 110.5 | R326 | R326-T334 PolarHBondContact N-O 3.49Å; R326-T334 PolarHBondContact O-N 3.35Å; R326-T334 VanDerWaalsContact O-N 3.12Å |
| 335 | F | 94.9 | Very high | 89.7 | Confident | 34 Ų | 34 | 83.3 Ų | 83.3 | 15% | 0.149 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 141.1 | 172.7 | -179.7 | -109.7 | 0 | 0 | 0 | 109.5 | A324 L325 E337 F340 F361 I365 L369 | A324-F335 HydrophobicContact CB-CD2 4.07Å; A324-F335 HydrophobicContact CB-CE2 3.69Å; A324-F335 HydrophobicContact CB-CZ 4.39Å; L325-F335 HydrophobicContact CD2-CD2 4.39Å; F335-E337 HydrophobicContact CD1-CG 3.88Å; F335-E337 HydrophobicContact CE1-CG 3.87Å; F335-F340 HydrophobicContact CE1-CB 4.32Å; F335-F340 HydrophobicContact CE1-CD1 4.46Å; F335-F340 HydrophobicContact CE1-CG 4.47Å; F335-F340 HydrophobicContact CE2-CB 4.13Å; F335-F340 HydrophobicContact CE2-CD2 4.27Å; F335-F340 HydrophobicContact CE2-CG 4.19Å; F335-F340 HydrophobicContact CZ-CB 3.58Å; F335-F340 AromaticContact CZ-CD1 3.8Å; F335-F340 HydrophobicContact CZ-CD1 3.8Å; F335-F340 AromaticContact CZ-CD2 3.98Å; F335-F340 HydrophobicContact CZ-CD2 3.98Å; F335-F340 HydrophobicContact CZ-CE1 4.42Å; F335-F340 AromaticContact CZ-CG 3.53Å; F335-F340 HydrophobicContact CZ-CG 3.53Å; F335-F361 HydrophobicContact CE1-CE1 4.04Å; F335-F361 HydrophobicContact CE1-CZ 4.4Å; F335-F361 HydrophobicContact CE2-CZ 4.46Å; F335-F361 AromaticContact CZ-CE1 3.85Å; F335-F361 HydrophobicContact CZ-CE1 3.85Å; F335-F361 AromaticContact CZ-CZ 3.78Å; F335-F361 HydrophobicContact CZ-CZ 3.78Å; F335-I365 HydrophobicContact CB-CG2 3.77Å; F335-I365 HydrophobicContact CD1-CG2 4Å; F335-I365 HydrophobicContact CD2-CD1 4.1Å; F335-I365 HydrophobicContact CD2-CG2 4.19Å; F335-I365 HydrophobicContact CE2-CD1 3.88Å; F335-I365 HydrophobicContact CG-CG2 3.74Å; F335-I365 HydrophobicContact CZ-CD1 4.22Å; F335-I365 HydrophobicContact CZ-CG1 4.43Å; F335-L369 HydrophobicContact CB-CD1 4.07Å |
| 336 | C | 94.5 | Very high | 89.8 | Confident | 29 Ų | 29 | 86 Ų | 86 | 20% | 0.196 | 45% | 0.453 | C | S | . | . | trans | -115.8 | 92.6 | -177.7 | 180 | 0 | 0 | 0 | 0 | 109.9 | A324 R326 E338 S339 F340 | A324-C336 WeakPolarHBondContact O-CB 3.48Å; A324-C336 PolarHBondContact O-N 2.91Å; R326-C336 HydrophobicContact CG-CB 3.59Å; C336-E338 VanDerWaalsContact C-N 3.32Å; C336-E338 PolarHBondContact O-N 3.15Å; C336-S339 WeakPolarHBondContact O-CA 3.35Å; C336-S339 WeakPolarHBondContact O-CB 3.5Å; C336-S339 PolarHBondContact O-N 3.27Å; C336-F340 PolarHBondContact O-N 3.45Å; C336-F340 VanDerWaalsContact O-N 3.09Å | ||
| 337 | E | 95.2 | Very high | 89.9 | Confident | 115 Ų | 115 | 84 Ų | 84 | 54% | 0.537 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -53.6 | -44.7 | -175.7 | -64.7 | 170.5 | -172.6 | 0 | 0 | 112.6 | F335 S339 F340 A341 V356 | F335-E337 HydrophobicContact CD1-CG 3.88Å; F335-E337 HydrophobicContact CE1-CG 3.87Å; E337-S339 PolarHBondContact O-N 3.15Å; E337-F340 WeakPolarHBondContact O-CB 3.15Å; E337-F340 PolarHBondContact O-N 2.76Å; E337-A341 WeakPolarHBondContact O-CB 3.5Å; E337-A341 PolarHBondContact O-N 2.78Å; E337-V356 HydrophobicContact CB-CG1 4.03Å; E337-V356 HydrophobicContact CB-CG2 4.18Å; E337-V356 VanDerWaalsContact CD-CG1 3.48Å; E337-V356 HydrophobicContact CG-CG1 3.68Å; E337-V356 HydrophobicContact CG-CG2 4.32Å |
| 338 | E | 92.1 | Very high | 90.2 | Very high | 168 Ų | 168 | 78.2 Ų | 78.2 | 79% | 0.785 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -54.8 | -39.2 | 174.2 | -61.3 | -179.5 | 167.1 | 0 | 0 | 112.6 | C336 N342 | C336-E338 VanDerWaalsContact C-N 3.32Å; C336-E338 PolarHBondContact O-N 3.15Å; E338-N342 WeakPolarHBondContact O-CB 3.3Å; E338-N342 PolarHBondContact O-N 2.99Å; E338-N342 VanDerWaalsContact O-N 3.16Å |
| 339 | S | 92.1 | Very high | 90.7 | Very high | 42 Ų | 42 | 77.4 Ų | 77.4 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -80.2 | -18.9 | -179.9 | -167.1 | 0 | 0 | 0 | 0 | 113.5 | R326 C336 E337 | R326-S339 PolarHBondContact NH2-OG 2.91Å; C336-S339 WeakPolarHBondContact O-CA 3.35Å; C336-S339 WeakPolarHBondContact O-CB 3.5Å; C336-S339 PolarHBondContact O-N 3.27Å; E337-S339 PolarHBondContact O-N 3.15Å |
| 340 | F | 93.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 77.3 Ų | 77.3 | 2% | 0.018 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -82.4 | -47.4 | 173.2 | 178.2 | -114.5 | 0 | 0 | 0 | 110.6 | F318 S320 A324 F335 C336 E337 N342 L352 A355 V356 F361 | F318-F340 HydrophobicContact CD1-CZ 4.21Å; S320-F340 WeakPolarHBondContact OG-CE2 3.4Å; A324-F340 HydrophobicContact CB-CB 3.68Å; A324-F340 HydrophobicContact CB-CD2 4.49Å; F335-F340 HydrophobicContact CE1-CB 4.32Å; F335-F340 HydrophobicContact CE1-CD1 4.46Å; F335-F340 HydrophobicContact CE1-CG 4.47Å; F335-F340 HydrophobicContact CE2-CB 4.13Å; F335-F340 HydrophobicContact CE2-CD2 4.27Å; F335-F340 HydrophobicContact CE2-CG 4.19Å; F335-F340 HydrophobicContact CZ-CB 3.58Å; F335-F340 AromaticContact CZ-CD1 3.8Å; F335-F340 HydrophobicContact CZ-CD1 3.8Å; F335-F340 AromaticContact CZ-CD2 3.98Å; F335-F340 HydrophobicContact CZ-CD2 3.98Å; F335-F340 HydrophobicContact CZ-CE1 4.42Å; F335-F340 AromaticContact CZ-CG 3.53Å; F335-F340 HydrophobicContact CZ-CG 3.53Å; C336-F340 PolarHBondContact O-N 3.45Å; C336-F340 VanDerWaalsContact O-N 3.09Å; E337-F340 WeakPolarHBondContact O-CB 3.15Å; E337-F340 PolarHBondContact O-N 2.76Å; F340-N342 VanDerWaalsContact C-N 3.28Å; F340-N342 PolarHBondContact O-N 3.28Å; F340-L352 HydrophobicContact CD1-CB 4.48Å; F340-L352 HydrophobicContact CD1-CD2 4.31Å; F340-L352 HydrophobicContact CD2-CD2 4.42Å; F340-L352 HydrophobicContact CE1-CB 4.33Å; F340-L352 HydrophobicContact CE1-CD2 3.63Å; F340-L352 HydrophobicContact CE2-CD2 3.76Å; F340-L352 HydrophobicContact CZ-CD2 3.32Å; F340-A355 HydrophobicContact CE1-CB 4.24Å; F340-V356 HydrophobicContact CD1-CG2 3.81Å; F340-V356 HydrophobicContact CE1-CG2 4.33Å; F340-F361 HydrophobicContact CD1-CE1 4.06Å; F340-F361 HydrophobicContact CD1-CZ 4.09Å; F340-F361 HydrophobicContact CE1-CD1 4.44Å; F340-F361 AromaticContact CE1-CE1 3.49Å; F340-F361 HydrophobicContact CE1-CE1 3.49Å; F340-F361 VanDerWaalsContact CE1-CE1 3.49Å; F340-F361 HydrophobicContact CE1-CE2 4.27Å; F340-F361 AromaticContact CE1-CZ 3.39Å; F340-F361 HydrophobicContact CE1-CZ 3.39Å; F340-F361 AromaticContact CE2-CZ 3.92Å; F340-F361 HydrophobicContact CE2-CZ 3.92Å; F340-F361 AromaticContact CZ-CE1 3.9Å; F340-F361 HydrophobicContact CZ-CE1 3.9Å; F340-F361 AromaticContact CZ-CE2 3.83Å; F340-F361 HydrophobicContact CZ-CE2 3.83Å; F340-F361 AromaticContact CZ-CZ 3.27Å; F340-F361 HydrophobicContact CZ-CZ 3.27Å |
| 341 | A | 92.6 | Very high | 92.1 | Very high | 15 Ų | 15 | 73.6 Ų | 73.6 | 12% | 0.124 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.3 | -24.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E337 H343 K349 | E337-A341 WeakPolarHBondContact O-CB 3.5Å; E337-A341 PolarHBondContact O-N 2.78Å; A341-H343 PolarHBondContact O-N 3.5Å; A341-K349 WeakPolarHBondContact O-CG 3.47Å |
| 342 | N | 90.7 | Very high | 92.4 | Very high | 120 Ų | 120 | 68.9 Ų | 68.9 | 64% | 0.642 | 36% | 0.358 | S | S | * | . | trans | -76.7 | 79.9 | -178.3 | -171.7 | 24.3 | 0 | 0 | 0 | 113.3 | E338 F340 | E338-N342 WeakPolarHBondContact O-CB 3.3Å; E338-N342 PolarHBondContact O-N 2.99Å; E338-N342 VanDerWaalsContact O-N 3.16Å; F340-N342 VanDerWaalsContact C-N 3.28Å; F340-N342 PolarHBondContact O-N 3.28Å | ||
| 343 | H | 90.5 | Very high | 92.8 | Very high | 77 Ų | 77 | 67.3 Ų | 67.3 | 36% | 0.356 | 35% | 0.349 | S | S | . | . | trans | -109.7 | 154.5 | 177.9 | -170.6 | -100 | 0 | 0 | 0 | 113.6 | A341 S345 M348 K349 L352 | A341-H343 PolarHBondContact O-N 3.5Å; H343-S345 PolarHBondContact ND1-N 3.21Å; H343-S345 VanDerWaalsContact ND1-N 3.13Å; H343-S345 PolarHBondContact ND1-O 2.67Å; H343-M348 HydrophobicContact CB-CG 4.3Å; H343-M348 WeakPolarHBondContact ND1-CB 3.44Å; H343-M348 VanDerWaalsContact ND1-CG 3.34Å; H343-M348 WeakPolarHBondContact ND1-CG 3.45Å; H343-K349 HydrophobicContact CB-CB 4.33Å; H343-L352 HydrophobicContact CB-CD1 3.8Å | ||
| 344 | R | 88.6 | Confident | 92.9 | Very high | 254 Ų | 254 | 69 Ų | 69 | 96% | 0.958 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -71.7 | -41.1 | -176.4 | -65.9 | -176.3 | -179.3 | -176.4 | 0.4 | 113.9 | ||
| 345 | S | 90.9 | Very high | 93 | Very high | 55 Ų | 55 | 66 Ų | 66 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -78.2 | 130.2 | 173.1 | 167 | 0 | 0 | 0 | 0 | 109.8 | H343 M348 K349 | H343-S345 PolarHBondContact ND1-N 3.21Å; H343-S345 VanDerWaalsContact ND1-N 3.13Å; H343-S345 PolarHBondContact ND1-O 2.67Å; S345-M348 PolarHBondContact O-N 3.05Å; S345-K349 WeakPolarHBondContact O-CB 3.38Å; S345-K349 PolarHBondContact O-N 3.2Å |
| 346 | S | 91.4 | Very high | 93 | Very high | 84 Ų | 84 | 65.6 Ų | 65.6 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | -179.2 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | M348 K349 N350 | S346-M348 PolarHBondContact O-N 2.95Å; S346-K349 PolarHBondContact O-N 3.27Å; S346-N350 VanDerWaalsContact O-CG 3.24Å; S346-N350 PolarHBondContact O-N 3.31Å; S346-N350 PolarHBondContact O-OD1 2.95Å |
| 347 | T | 91.6 | Very high | 93 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 36% | 0.362 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 176.1 | -49.9 | 0 | 0 | 0 | 0 | 110.8 | N350 F351 | T347-N350 PolarHBondContact O-N 3.19Å; T347-F351 WeakPolarHBondContact O-CB 3.35Å; T347-F351 PolarHBondContact O-N 3.5Å |
| 348 | M | 93.3 | Very high | 93 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 177.7 | 179.3 | 65.9 | 94.9 | 0 | 0 | 111.7 | P284 L317 H343 S345 S346 N350 F351 L352 | P284-M348 HydrophobicContact CB-CE 4.41Å; P284-M348 HydrophobicContact CG-CB 4.21Å; P284-M348 HydrophobicContact CG-CE 3.72Å; P284-M348 HydrophobicContact CG-SD 3.83Å; L317-M348 HydrophobicContact CD2-CE 4.44Å; H343-M348 HydrophobicContact CB-CG 4.3Å; H343-M348 WeakPolarHBondContact ND1-CB 3.44Å; H343-M348 VanDerWaalsContact ND1-CG 3.34Å; H343-M348 WeakPolarHBondContact ND1-CG 3.45Å; S345-M348 PolarHBondContact O-N 3.05Å; S346-M348 PolarHBondContact O-N 2.95Å; M348-N350 PolarHBondContact O-N 3.44Å; M348-F351 PolarHBondContact O-N 3.31Å; M348-F351 HydrophobicContact SD-CD1 3.97Å; M348-L352 HydrophobicContact CG-CD1 3.65Å; M348-L352 HydrophobicContact CG-CG 4.17Å; M348-L352 WeakPolarHBondContact O-CB 3.22Å; M348-L352 WeakPolarHBondContact O-CD1 3.29Å; M348-L352 WeakPolarHBondContact O-CG 3.47Å; M348-L352 PolarHBondContact O-N 3.33Å; M348-L352 HydrophobicContact SD-CD1 3.96Å; M348-L352 HydrophobicContact SD-CD2 4.35Å; M348-L352 HydrophobicContact SD-CG 3.94Å |
| 349 | K | 93.6 | Very high | 93.2 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 39% | 0.391 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 172.6 | 169.2 | 163.6 | -177.3 | 175.3 | 0 | 111.5 | A341 H343 S345 S346 L352 S353 | A341-K349 WeakPolarHBondContact O-CG 3.47Å; H343-K349 HydrophobicContact CB-CB 4.33Å; S345-K349 WeakPolarHBondContact O-CB 3.38Å; S345-K349 PolarHBondContact O-N 3.2Å; S346-K349 PolarHBondContact O-N 3.27Å; K349-L352 PolarHBondContact O-N 3.03Å; K349-S353 WeakPolarHBondContact O-CB 3.34Å; K349-S353 PolarHBondContact O-N 3.44Å; K349-S353 PolarHBondContact O-OG 2.87Å |
| 350 | N | 93.7 | Very high | 93.4 | Very high | 112 Ų | 112 | 58.4 Ų | 58.4 | 60% | 0.599 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.5 | -46.3 | 177.9 | -67.2 | -2.6 | 0 | 0 | 0 | 111.2 | S346 T347 M348 L352 S353 M354 | S346-N350 VanDerWaalsContact O-CG 3.24Å; S346-N350 PolarHBondContact O-N 3.31Å; S346-N350 PolarHBondContact O-OD1 2.95Å; T347-N350 PolarHBondContact O-N 3.19Å; M348-N350 PolarHBondContact O-N 3.44Å; N350-L352 PolarHBondContact O-N 2.73Å; N350-S353 PolarHBondContact O-N 3.24Å; N350-M354 PolarHBondContact O-N 3.39Å |
| 351 | F | 95.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.022 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.5 | -47.1 | 174.3 | 172.3 | -97.4 | 0 | 0 | 0 | 112.1 | L190 L283 L317 F318 T347 M348 M354 A355 | L190-F351 HydrophobicContact CD1-CE2 4.43Å; L190-F351 HydrophobicContact CD1-CZ 4.48Å; L283-F351 HydrophobicContact CD2-CD2 3.63Å; L283-F351 HydrophobicContact CD2-CE2 3.46Å; L283-F351 VanDerWaalsContact CD2-CE2 3.46Å; L283-F351 HydrophobicContact CD2-CZ 4.4Å; L317-F351 HydrophobicContact CB-CE1 3.83Å; L317-F351 HydrophobicContact CB-CZ 4.1Å; L317-F351 HydrophobicContact CD1-CZ 4.06Å; L317-F351 HydrophobicContact CD2-CD1 4.29Å; L317-F351 HydrophobicContact CD2-CE1 3.92Å; L317-F351 HydrophobicContact CD2-CZ 4.13Å; L317-F351 HydrophobicContact CG-CE1 4.29Å; L317-F351 HydrophobicContact CG-CZ 4.32Å; F318-F351 HydrophobicContact CE1-CE1 4.39Å; F318-F351 HydrophobicContact CE1-CZ 4.26Å; F318-F351 HydrophobicContact CE2-CZ 4.05Å; F318-F351 HydrophobicContact CZ-CE1 4.22Å; F318-F351 AromaticContact CZ-CZ 3.71Å; F318-F351 HydrophobicContact CZ-CZ 3.71Å; T347-F351 WeakPolarHBondContact O-CB 3.35Å; T347-F351 PolarHBondContact O-N 3.5Å; M348-F351 PolarHBondContact O-N 3.31Å; M348-F351 HydrophobicContact SD-CD1 3.97Å; F351-M354 HydrophobicContact CD2-CE 3.84Å; F351-M354 HydrophobicContact CE2-CE 3.92Å; F351-M354 WeakPolarHBondContact O-CB 3.31Å; F351-M354 PolarHBondContact O-N 3.34Å; F351-A355 VanDerWaalsContact O-CB 3.29Å; F351-A355 WeakPolarHBondContact O-CB 3.42Å; F351-A355 PolarHBondContact O-N 2.84Å |
| 352 | L | 95 | Very high | 93.7 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.2 | -34.4 | 179.7 | -66.3 | 167.2 | 0 | 0 | 0 | 112.5 | L317 F340 H343 M348 K349 N350 M354 A355 V356 | L317-L352 WeakPolarHBondContact O-CD2 3.48Å; F340-L352 HydrophobicContact CD1-CB 4.48Å; F340-L352 HydrophobicContact CD1-CD2 4.31Å; F340-L352 HydrophobicContact CD2-CD2 4.42Å; F340-L352 HydrophobicContact CE1-CB 4.33Å; F340-L352 HydrophobicContact CE1-CD2 3.63Å; F340-L352 HydrophobicContact CE2-CD2 3.76Å; F340-L352 HydrophobicContact CZ-CD2 3.32Å; H343-L352 HydrophobicContact CB-CD1 3.8Å; M348-L352 HydrophobicContact CG-CD1 3.65Å; M348-L352 HydrophobicContact CG-CG 4.17Å; M348-L352 WeakPolarHBondContact O-CB 3.22Å; M348-L352 WeakPolarHBondContact O-CD1 3.29Å; M348-L352 WeakPolarHBondContact O-CG 3.47Å; M348-L352 PolarHBondContact O-N 3.33Å; M348-L352 HydrophobicContact SD-CD1 3.96Å; M348-L352 HydrophobicContact SD-CD2 4.35Å; M348-L352 HydrophobicContact SD-CG 3.94Å; K349-L352 PolarHBondContact O-N 3.03Å; N350-L352 PolarHBondContact O-N 2.73Å; L352-M354 VanDerWaalsContact C-N 3.34Å; L352-A355 PolarHBondContact O-N 2.84Å; L352-V356 PolarHBondContact O-N 3.46Å |
| 353 | S | 94.6 | Very high | 93.9 | Very high | 51 Ų | 51 | 58.9 Ų | 58.9 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -36.3 | 171.9 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | K349 N350 N357 | K349-S353 WeakPolarHBondContact O-CB 3.34Å; K349-S353 PolarHBondContact O-N 3.44Å; K349-S353 PolarHBondContact O-OG 2.87Å; N350-S353 PolarHBondContact O-N 3.24Å; S353-N357 PolarHBondContact O-ND2 3.35Å |
| 354 | M | 94.4 | Very high | 94.2 | Very high | 50 Ų | 50 | 55.2 Ų | 55.2 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.9 | -47.7 | 169.2 | 178.3 | -163.5 | 75.2 | 0 | 0 | 110.8 | L190 H191 N350 F351 L352 V356 N357 L358 | L190-M354 VanDerWaalsContact O-CE 3.27Å; L190-M354 WeakPolarHBondContact O-CE 3.16Å; H191-M354 HydrophobicContact CB-SD 4.46Å; H191-M354 PolarHBondContact CD2-SD 3.24Å; N350-M354 PolarHBondContact O-N 3.39Å; F351-M354 HydrophobicContact CD2-CE 3.84Å; F351-M354 HydrophobicContact CE2-CE 3.92Å; F351-M354 WeakPolarHBondContact O-CB 3.31Å; F351-M354 PolarHBondContact O-N 3.34Å; L352-M354 VanDerWaalsContact C-N 3.34Å; M354-V356 VanDerWaalsContact C-N 3.26Å; M354-V356 PolarHBondContact O-N 2.85Å; M354-V356 VanDerWaalsContact O-N 3.14Å; M354-N357 WeakPolarHBondContact O-CB 3.44Å; M354-N357 PolarHBondContact O-N 3.46Å; M354-N357 PolarHBondContact O-ND2 3.16Å; M354-N357 VanDerWaalsContact O-ND2 3.1Å; M354-L358 HydrophobicContact CE-CD1 4.43Å |
| 355 | A | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.9 | -34.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F318 F340 F351 L352 N357 L358 F361 | F318-A355 HydrophobicContact CE1-CB 3.95Å; F340-A355 HydrophobicContact CE1-CB 4.24Å; F351-A355 VanDerWaalsContact O-CB 3.29Å; F351-A355 WeakPolarHBondContact O-CB 3.42Å; F351-A355 PolarHBondContact O-N 2.84Å; L352-A355 PolarHBondContact O-N 2.84Å; A355-N357 PolarHBondContact O-N 2.75Å; A355-L358 HydrophobicContact CB-CD1 4.29Å; A355-L358 WeakPolarHBondContact O-CB 3.34Å; A355-L358 WeakPolarHBondContact O-CG 3.37Å; A355-L358 PolarHBondContact O-N 2.92Å; A355-L358 VanDerWaalsContact O-N 3.12Å; A355-F361 WeakPolarHBondContact O-CB 3.36Å; A355-F361 VanDerWaalsContact O-CD1 3.27Å; A355-F361 WeakPolarHBondContact O-CD1 3.36Å |
| 356 | V | 94.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 44 Ų | 44 | 16% | 0.158 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.6 | 174.8 | 170 | 0 | 0 | 0 | 0 | 112.6 | E337 F340 L352 M354 | E337-V356 HydrophobicContact CB-CG1 4.03Å; E337-V356 HydrophobicContact CB-CG2 4.18Å; E337-V356 VanDerWaalsContact CD-CG1 3.48Å; E337-V356 HydrophobicContact CG-CG1 3.68Å; E337-V356 HydrophobicContact CG-CG2 4.32Å; F340-V356 HydrophobicContact CD1-CG2 3.81Å; F340-V356 HydrophobicContact CE1-CG2 4.33Å; L352-V356 PolarHBondContact O-N 3.46Å; M354-V356 VanDerWaalsContact C-N 3.26Å; M354-V356 PolarHBondContact O-N 2.85Å; M354-V356 VanDerWaalsContact O-N 3.14Å |
| 357 | N | 94.5 | Very high | 94.7 | Very high | 129 Ų | 129 | 40.2 Ų | 40.2 | 69% | 0.69 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -9.4 | -177.6 | -52.5 | -83.5 | 0 | 0 | 0 | 113.6 | S353 M354 A355 | S353-N357 PolarHBondContact O-ND2 3.35Å; M354-N357 WeakPolarHBondContact O-CB 3.44Å; M354-N357 PolarHBondContact O-N 3.46Å; M354-N357 PolarHBondContact O-ND2 3.16Å; M354-N357 VanDerWaalsContact O-ND2 3.1Å; A355-N357 PolarHBondContact O-N 2.75Å |
| 358 | L | 96.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | trans | -75.7 | 129.3 | -177.9 | -53.3 | 171.9 | 0 | 0 | 0 | 110.4 | L190 E192 M354 A355 L360 F361 K362 | L190-L358 WeakPolarHBondContact O-CD1 3.36Å; L190-L358 WeakPolarHBondContact O-CD2 3.46Å; E192-L358 HydrophobicContact CB-CD2 4.32Å; E192-L358 HydrophobicContact CG-CD2 4.01Å; M354-L358 HydrophobicContact CE-CD1 4.43Å; A355-L358 HydrophobicContact CB-CD1 4.29Å; A355-L358 WeakPolarHBondContact O-CB 3.34Å; A355-L358 WeakPolarHBondContact O-CG 3.37Å; A355-L358 PolarHBondContact O-N 2.92Å; A355-L358 VanDerWaalsContact O-N 3.12Å; L358-L360 VanDerWaalsContact C-N 3.29Å; L358-L360 HydrophobicContact CB-CG 4.23Å; L358-L360 PolarHBondContact O-N 3.12Å; L358-F361 HydrophobicContact CB-CB 4.09Å; L358-F361 PolarHBondContact O-N 3.04Å; L358-F361 VanDerWaalsContact O-N 3.15Å; L358-K362 PolarHBondContact O-N 2.9Å | ||
| 359 | Q | 96.4 | Very high | 94.7 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.4 | -33.6 | 179.6 | -174.5 | 66.2 | -4.6 | 0 | 0 | 111.9 | E192 Q222 H223 F361 K362 Q363 | E192-Q359 VanDerWaalsContact CD-N 3.33Å; E192-Q359 PolarHBondContact OE1-N 3.17Å; E192-Q359 PolarHBondContact OE2-N 2.99Å; Q222-Q359 HydrophobicContact CB-CB 4.37Å; Q222-Q359 HydrophobicContact CB-CG 3.71Å; Q222-Q359 HydrophobicContact CG-CG 4.16Å; H223-Q359 WeakPolarHBondContact NE2-CB 3.37Å; Q359-F361 VanDerWaalsContact C-N 3.34Å; Q359-F361 PolarHBondContact O-N 3.36Å; Q359-K362 PolarHBondContact O-N 2.7Å; Q359-Q363 WeakPolarHBondContact O-CG 3.38Å; Q359-Q363 PolarHBondContact O-N 3.46Å |
| 360 | L | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.7 | -35.2 | 173.9 | 66.4 | 87.8 | 0 | 0 | 0 | 113 | E192 L216 M219 Y220 W221 Q222 L358 F364 | E192-L360 HydrophobicContact CG-CD2 3.77Å; E192-L360 HydrophobicContact CG-CG 4.41Å; E192-L360 WeakPolarHBondContact OE1-CB 3.26Å; E192-L360 WeakPolarHBondContact OE1-CD2 3.48Å; E192-L360 VanDerWaalsContact OE1-CG 3.28Å; E192-L360 WeakPolarHBondContact OE1-CG 3.45Å; E192-L360 PolarHBondContact OE1-N 3.46Å; L216-L360 HydrophobicContact CD1-CD2 4.49Å; M219-L360 HydrophobicContact CB-CD1 4.05Å; M219-L360 HydrophobicContact CG-CD1 4.39Å; M219-L360 HydrophobicContact SD-CD1 3.57Å; M219-L360 VanDerWaalsContact SD-CD1 3.57Å; Y220-L360 WeakPolarHBondContact O-CB 3.4Å; W221-L360 HydrophobicContact CE3-CD2 4.41Å; Q222-L360 HydrophobicContact CG-CB 4.4Å; L358-L360 VanDerWaalsContact C-N 3.29Å; L358-L360 HydrophobicContact CB-CG 4.23Å; L358-L360 PolarHBondContact O-N 3.12Å; L360-F364 PolarHBondContact O-N 2.92Å |
| 361 | F | 96.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -76.9 | -40.7 | 175.9 | -179.5 | -115.2 | 0 | 0 | 0 | 110.8 | M219 F318 F335 F340 A355 L358 Q359 F364 I365 | M219-F361 HydrophobicContact CE-CD2 3.72Å; M219-F361 HydrophobicContact CE-CE2 4.27Å; M219-F361 HydrophobicContact SD-CD2 4.28Å; F318-F361 AromaticContact CD1-CD2 3.49Å; F318-F361 HydrophobicContact CD1-CD2 3.49Å; F318-F361 VanDerWaalsContact CD1-CD2 3.49Å; F318-F361 AromaticContact CD1-CE2 3.57Å; F318-F361 HydrophobicContact CD1-CE2 3.57Å; F318-F361 HydrophobicContact CD1-CG 4.34Å; F318-F361 HydrophobicContact CD1-CZ 4.47Å; F318-F361 HydrophobicContact CE1-CB 4.43Å; F318-F361 AromaticContact CE1-CD2 3.7Å; F318-F361 HydrophobicContact CE1-CD2 3.7Å; F318-F361 HydrophobicContact CE1-CE2 4.2Å; F318-F361 HydrophobicContact CE1-CG 4.15Å; F318-F361 HydrophobicContact CG-CD2 4.49Å; F318-F361 HydrophobicContact CG-CE2 4.47Å; F335-F361 HydrophobicContact CE1-CE1 4.04Å; F335-F361 HydrophobicContact CE1-CZ 4.4Å; F335-F361 HydrophobicContact CE2-CZ 4.46Å; F335-F361 AromaticContact CZ-CE1 3.85Å; F335-F361 HydrophobicContact CZ-CE1 3.85Å; F335-F361 AromaticContact CZ-CZ 3.78Å; F335-F361 HydrophobicContact CZ-CZ 3.78Å; F340-F361 HydrophobicContact CD1-CE1 4.06Å; F340-F361 HydrophobicContact CD1-CZ 4.09Å; F340-F361 HydrophobicContact CE1-CD1 4.44Å; F340-F361 AromaticContact CE1-CE1 3.49Å; F340-F361 HydrophobicContact CE1-CE1 3.49Å; F340-F361 VanDerWaalsContact CE1-CE1 3.49Å; F340-F361 HydrophobicContact CE1-CE2 4.27Å; F340-F361 AromaticContact CE1-CZ 3.39Å; F340-F361 HydrophobicContact CE1-CZ 3.39Å; F340-F361 AromaticContact CE2-CZ 3.92Å; F340-F361 HydrophobicContact CE2-CZ 3.92Å; F340-F361 AromaticContact CZ-CE1 3.9Å; F340-F361 HydrophobicContact CZ-CE1 3.9Å; F340-F361 AromaticContact CZ-CE2 3.83Å; F340-F361 HydrophobicContact CZ-CE2 3.83Å; F340-F361 AromaticContact CZ-CZ 3.27Å; F340-F361 HydrophobicContact CZ-CZ 3.27Å; A355-F361 WeakPolarHBondContact O-CB 3.36Å; A355-F361 VanDerWaalsContact O-CD1 3.27Å; A355-F361 WeakPolarHBondContact O-CD1 3.36Å; L358-F361 HydrophobicContact CB-CB 4.09Å; L358-F361 PolarHBondContact O-N 3.04Å; L358-F361 VanDerWaalsContact O-N 3.15Å; Q359-F361 VanDerWaalsContact C-N 3.34Å; Q359-F361 PolarHBondContact O-N 3.36Å; F361-F364 HydrophobicContact CD2-CD1 4.3Å; F361-F364 HydrophobicContact CE2-CD1 4.3Å; F361-F364 WeakPolarHBondContact O-CB 3.28Å; F361-F364 PolarHBondContact O-N 3.09Å; F361-I365 HydrophobicContact CD1-CG1 4.22Å; F361-I365 HydrophobicContact CD2-CG1 4.2Å; F361-I365 HydrophobicContact CE1-CD1 4.36Å; F361-I365 HydrophobicContact CE1-CG1 3.78Å; F361-I365 HydrophobicContact CE2-CD1 3.81Å; F361-I365 HydrophobicContact CE2-CG1 3.75Å; F361-I365 HydrophobicContact CG-CG1 4.43Å; F361-I365 HydrophobicContact CZ-CD1 3.64Å; F361-I365 HydrophobicContact CZ-CG1 3.52Å; F361-I365 WeakPolarHBondContact O-CG1 3.5Å; F361-I365 PolarHBondContact O-N 2.83Å |
| 362 | K | 95.9 | Very high | 94.1 | Very high | 113 Ų | 113 | 33.4 Ų | 33.4 | 49% | 0.491 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.7 | -49.6 | 177.2 | -173.2 | 169.6 | -176.2 | 169.9 | 0 | 112.7 | L358 Q359 F364 I365 D366 | L358-K362 PolarHBondContact O-N 2.9Å; Q359-K362 PolarHBondContact O-N 2.7Å; K362-F364 VanDerWaalsContact C-N 3.28Å; K362-F364 PolarHBondContact O-N 2.85Å; K362-I365 PolarHBondContact O-N 3.03Å; K362-D366 WeakPolarHBondContact O-CB 3.36Å; K362-D366 PolarHBondContact O-N 2.74Å |
| 363 | Q | 95.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 36.3 Ų | 36.3 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -33.7 | 177.3 | -70.5 | -57.1 | -46.6 | 0 | 0 | 112.8 | Q222 Q359 G367 | Q222-Q363 HydrophobicContact CG-CB 4.13Å; Q222-Q363 HydrophobicContact CG-CG 3.8Å; Q359-Q363 WeakPolarHBondContact O-CG 3.38Å; Q359-Q363 PolarHBondContact O-N 3.46Å; Q363-G367 WeakPolarHBondContact O-CA 3.1Å; Q363-G367 PolarHBondContact O-N 2.92Å |
| 364 | F | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -49.7 | 171.8 | 166.5 | -96.3 | 0 | 0 | 0 | 111.6 | P218 M219 Y321 L360 F361 K362 G367 R368 F382 | P218-F364 HydrophobicContact CB-CD2 4.17Å; P218-F364 HydrophobicContact CB-CE2 3.92Å; P218-F364 HydrophobicContact CG-CD2 3.85Å; P218-F364 HydrophobicContact CG-CE2 3.44Å; P218-F364 VanDerWaalsContact CG-CE2 3.44Å; P218-F364 HydrophobicContact CG-CZ 4.22Å; M219-F364 HydrophobicContact CE-CD1 3.87Å; M219-F364 HydrophobicContact CE-CE1 4.22Å; M219-F364 HydrophobicContact CE-CG 4.12Å; M219-F364 HydrophobicContact CG-CB 3.93Å; M219-F364 HydrophobicContact CG-CD2 4.27Å; M219-F364 HydrophobicContact CG-CG 4.06Å; Y321-F364 HydrophobicContact CD1-CE1 4.23Å; Y321-F364 HydrophobicContact CD1-CZ 4.49Å; Y321-F364 HydrophobicContact CD2-CE1 4.34Å; Y321-F364 HydrophobicContact CE1-CE1 4.26Å; Y321-F364 HydrophobicContact CE1-CZ 4.11Å; Y321-F364 HydrophobicContact CE2-CE1 4.39Å; Y321-F364 HydrophobicContact CG-CE1 4.28Å; L360-F364 PolarHBondContact O-N 2.92Å; F361-F364 HydrophobicContact CD2-CD1 4.3Å; F361-F364 HydrophobicContact CE2-CD1 4.3Å; F361-F364 WeakPolarHBondContact O-CB 3.28Å; F361-F364 PolarHBondContact O-N 3.09Å; K362-F364 VanDerWaalsContact C-N 3.28Å; K362-F364 PolarHBondContact O-N 2.85Å; F364-G367 CarbonylContact O-C 3.57Å; F364-G367 PolarHBondContact O-N 3.49Å; F364-R368 HydrophobicContact CD1-CG 4.5Å; F364-R368 HydrophobicContact CD2-CG 4.35Å; F364-R368 HydrophobicContact CE1-CG 4.06Å; F364-R368 HydrophobicContact CE2-CG 3.9Å; F364-R368 VanDerWaalsContact CE2-NE 3.28Å; F364-R368 HydrophobicContact CZ-CG 3.72Å; F364-R368 WeakPolarHBondContact O-CG 3.49Å; F364-R368 PolarHBondContact O-N 3.38Å; F364-F382 HydrophobicContact CE1-CE1 4.47Å; F364-F382 HydrophobicContact CE2-CD1 4.43Å; F364-F382 HydrophobicContact CE2-CE1 4.17Å; F364-F382 HydrophobicContact CZ-CD1 4.24Å; F364-F382 AromaticContact CZ-CE1 3.62Å; F364-F382 HydrophobicContact CZ-CE1 3.62Å; F364-F382 HydrophobicContact CZ-CZ 4.39Å |
| 365 | I | 95.4 | Very high | 92.9 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -49.9 | 179.1 | -68.2 | -62.7 | 0 | 0 | 0 | 111.3 | Y321 F335 F361 K362 G367 R368 L369 | Y321-I365 HydrophobicContact CD2-CD1 3.56Å; Y321-I365 HydrophobicContact CE2-CD1 4.44Å; Y321-I365 HydrophobicContact CG-CD1 4Å; F335-I365 HydrophobicContact CB-CG2 3.77Å; F335-I365 HydrophobicContact CD1-CG2 4Å; F335-I365 HydrophobicContact CD2-CD1 4.1Å; F335-I365 HydrophobicContact CD2-CG2 4.19Å; F335-I365 HydrophobicContact CE2-CD1 3.88Å; F335-I365 HydrophobicContact CG-CG2 3.74Å; F335-I365 HydrophobicContact CZ-CD1 4.22Å; F335-I365 HydrophobicContact CZ-CG1 4.43Å; F361-I365 HydrophobicContact CD1-CG1 4.22Å; F361-I365 HydrophobicContact CD2-CG1 4.2Å; F361-I365 HydrophobicContact CE1-CD1 4.36Å; F361-I365 HydrophobicContact CE1-CG1 3.78Å; F361-I365 HydrophobicContact CE2-CD1 3.81Å; F361-I365 HydrophobicContact CE2-CG1 3.75Å; F361-I365 HydrophobicContact CG-CG1 4.43Å; F361-I365 HydrophobicContact CZ-CD1 3.64Å; F361-I365 HydrophobicContact CZ-CG1 3.52Å; F361-I365 WeakPolarHBondContact O-CG1 3.5Å; F361-I365 PolarHBondContact O-N 2.83Å; K362-I365 PolarHBondContact O-N 3.03Å; I365-G367 VanDerWaalsContact C-N 3.27Å; I365-G367 PolarHBondContact O-N 2.85Å; I365-R368 PolarHBondContact O-N 2.91Å; I365-R368 VanDerWaalsContact O-N 3.12Å; I365-L369 HydrophobicContact CG2-CD1 3.95Å; I365-L369 HydrophobicContact CG2-CG 4.24Å; I365-L369 WeakPolarHBondContact O-CB 3.22Å; I365-L369 WeakPolarHBondContact O-CG 3.22Å; I365-L369 PolarHBondContact O-N 2.87Å |
| 366 | D | 94.5 | Very high | 92 | Very high | 65 Ų | 65 | 42.6 Ų | 42.6 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.1 | -39.8 | 176.5 | -73.3 | -27.8 | 0 | 0 | 0 | 111 | K362 L369 A370 | K362-D366 WeakPolarHBondContact O-CB 3.36Å; K362-D366 PolarHBondContact O-N 2.74Å; D366-L369 PolarHBondContact O-N 3.06Å; D366-A370 VanDerWaalsContact O-CB 3.29Å; D366-A370 WeakPolarHBondContact O-CB 3.48Å; D366-A370 PolarHBondContact O-N 2.96Å |
| 367 | G | 92.7 | Very high | 91 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q363 F364 I365 K371 | Q363-G367 WeakPolarHBondContact O-CA 3.1Å; Q363-G367 PolarHBondContact O-N 2.92Å; F364-G367 CarbonylContact O-C 3.57Å; F364-G367 PolarHBondContact O-N 3.49Å; I365-G367 VanDerWaalsContact C-N 3.27Å; I365-G367 PolarHBondContact O-N 2.85Å; G367-K371 VanDerWaalsContact O-CD 3.24Å; G367-K371 WeakPolarHBondContact O-CD 3.22Å; G367-K371 WeakPolarHBondContact O-CG 3.48Å; G367-K371 PolarHBondContact O-N 3.48Å |
| 368 | R | 91.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -48.8 | 173.2 | -66 | -40.3 | -146.8 | -171.5 | 4.9 | 111 | Y321 F364 I365 A370 K371 L372 F378 D380 E383 | Y321-R368 HydrophobicContact CE2-CG 4.27Å; F364-R368 HydrophobicContact CD1-CG 4.5Å; F364-R368 HydrophobicContact CD2-CG 4.35Å; F364-R368 HydrophobicContact CE1-CG 4.06Å; F364-R368 HydrophobicContact CE2-CG 3.9Å; F364-R368 VanDerWaalsContact CE2-NE 3.28Å; F364-R368 HydrophobicContact CZ-CG 3.72Å; F364-R368 WeakPolarHBondContact O-CG 3.49Å; F364-R368 PolarHBondContact O-N 3.38Å; I365-R368 PolarHBondContact O-N 2.91Å; I365-R368 VanDerWaalsContact O-N 3.12Å; R368-A370 PolarHBondContact O-N 3.18Å; R368-K371 PolarHBondContact O-N 3.06Å; R368-K371 VanDerWaalsContact O-N 3.15Å; R368-L372 WeakPolarHBondContact O-CG 3.1Å; R368-L372 PolarHBondContact O-N 3.36Å; R368-F378 HydrophobicContact CB-CE1 4.31Å; R368-F378 HydrophobicContact CB-CZ 4.02Å; R368-F378 VanDerWaalsContact CD-CZ 3.49Å; R368-F378 HydrophobicContact CG-CZ 4.03Å; R368-F378 VanDerWaalsContact CZ-CE2 3.48Å; R368-D380 IonicContact CZ-OD1 3.98Å; R368-D380 IonicContact CZ-OD2 3.25Å; R368-D380 VanDerWaalsContact CZ-OD2 3.25Å; R368-D380 IonicContact NH1-OD2 2.79Å; R368-D380 PolarHBondContact NH1-OD2 2.86Å; R368-D380 VanDerWaalsContact NH2-CG 3.33Å; R368-D380 IonicContact NH2-OD1 2.95Å; R368-D380 PolarHBondContact NH2-OD1 3.22Å; R368-D380 IonicContact NH2-OD2 2.91Å; R368-D380 PolarHBondContact NH2-OD2 2.96Å; R368-E383 IonicContact CZ-OE1 3.46Å; R368-E383 IonicContact NE-OE1 2.72Å; R368-E383 IonicContact NH2-OE1 2.69Å; R368-E383 PolarHBondContact NH2-OE1 3.02Å |
| 369 | L | 92.1 | Very high | 89.6 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -42.3 | -179.5 | -69.8 | 178.6 | 0 | 0 | 0 | 111.8 | L325 I333 F335 I365 D366 K371 L372 N373 | L325-L369 HydrophobicContact CD2-CD2 3.81Å; I333-L369 HydrophobicContact CG2-CD2 4.04Å; F335-L369 HydrophobicContact CB-CD1 4.07Å; I365-L369 HydrophobicContact CG2-CD1 3.95Å; I365-L369 HydrophobicContact CG2-CG 4.24Å; I365-L369 WeakPolarHBondContact O-CB 3.22Å; I365-L369 WeakPolarHBondContact O-CG 3.22Å; I365-L369 PolarHBondContact O-N 2.87Å; D366-L369 PolarHBondContact O-N 3.06Å; L369-K371 PolarHBondContact O-N 3.28Å; L369-L372 PolarHBondContact O-N 3.39Å; L369-N373 VanDerWaalsContact O-CB 3.28Å; L369-N373 WeakPolarHBondContact O-CB 3.42Å; L369-N373 PolarHBondContact O-N 3.37Å; L369-N373 PolarHBondContact O-ND2 3.21Å |
| 370 | A | 91.9 | Very high | 89.2 | Confident | 46 Ų | 46 | 39.5 Ų | 39.5 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D366 R368 A374 | D366-A370 VanDerWaalsContact O-CB 3.29Å; D366-A370 WeakPolarHBondContact O-CB 3.48Å; D366-A370 PolarHBondContact O-N 2.96Å; R368-A370 PolarHBondContact O-N 3.18Å; A370-A374 VanDerWaalsContact O-CB 3.29Å; A370-A374 WeakPolarHBondContact O-CB 3.42Å; A370-A374 PolarHBondContact O-N 3.47Å; A370-A374 VanDerWaalsContact O-N 3.16Å |
| 371 | K | 89.4 | Confident | 88.9 | Confident | 64 Ų | 64 | 41.1 Ų | 41.1 | 28% | 0.278 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.7 | -47.9 | 174.3 | -66.3 | 160.5 | -170.1 | 172.5 | 0 | 110.7 | D2 G367 R368 L369 A374 R376 F378 | D2-K371 IonicContact OD2-NZ 3.55Å; D2-K371 PolarHBondContact OD2-NZ 3.37Å; G367-K371 VanDerWaalsContact O-CD 3.24Å; G367-K371 WeakPolarHBondContact O-CD 3.22Å; G367-K371 WeakPolarHBondContact O-CG 3.48Å; G367-K371 PolarHBondContact O-N 3.48Å; R368-K371 PolarHBondContact O-N 3.06Å; R368-K371 VanDerWaalsContact O-N 3.15Å; L369-K371 PolarHBondContact O-N 3.28Å; K371-A374 PolarHBondContact O-N 3.42Å; K371-R376 CarbonylContact C-O 3.56Å; K371-R376 CarbonylContact O-C 3.56Å; K371-R376 WeakPolarHBondContact O-CA 3.16Å; K371-R376 PolarHBondContact O-N 3.09Å; K371-R376 VanDerWaalsContact O-O 3.13Å; K371-F378 HydrophobicContact CB-CD1 3.63Å; K371-F378 HydrophobicContact CB-CE1 3.91Å; K371-F378 HydrophobicContact CD-CD1 4.07Å; K371-F378 HydrophobicContact CG-CD1 4.42Å |
| 372 | L | 88.3 | Confident | 88.8 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 179.2 | -66.3 | -168.4 | 0 | 0 | 0 | 113.3 | L325 I333 R368 L369 A374 G375 F378 W402 M403 | L325-L372 HydrophobicContact CD1-CD1 4.07Å; I333-L372 HydrophobicContact CD1-CB 3.79Å; I333-L372 HydrophobicContact CD1-CD1 4.45Å; I333-L372 HydrophobicContact CG2-CD1 4.39Å; R368-L372 WeakPolarHBondContact O-CG 3.1Å; R368-L372 PolarHBondContact O-N 3.36Å; L369-L372 PolarHBondContact O-N 3.39Å; L372-A374 VanDerWaalsContact C-N 3.32Å; L372-A374 PolarHBondContact O-N 3.4Å; L372-G375 WeakPolarHBondContact O-CA 3.37Å; L372-G375 PolarHBondContact O-N 3.5Å; L372-F378 HydrophobicContact CD2-CD1 4.05Å; L372-F378 HydrophobicContact CD2-CE1 3.33Å; L372-F378 HydrophobicContact CD2-CZ 3.89Å; L372-F378 HydrophobicContact CG-CE1 3.76Å; L372-F378 HydrophobicContact CG-CZ 4.27Å; L372-W402 HydrophobicContact CB-CH2 4.15Å; L372-W402 HydrophobicContact CD1-CH2 3.96Å; L372-W402 HydrophobicContact CD1-CZ3 4Å; L372-W402 HydrophobicContact CD2-CH2 3.83Å; L372-W402 HydrophobicContact CD2-CZ3 3.78Å; L372-W402 HydrophobicContact CG-CH2 4.17Å; L372-W402 HydrophobicContact CG-CZ3 4.4Å; L372-M403 HydrophobicContact CD2-CE 3.94Å |
| 373 | N | 89.9 | Confident | 88.5 | Confident | 63 Ų | 63 | 35.8 Ų | 35.8 | 34% | 0.337 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.2 | -25.3 | -177.9 | -75.3 | -41.7 | 0 | 0 | 0 | 113 | I333 L369 G375 | I333-N373 WeakPolarHBondContact CB-OD1 3.48Å; I333-N373 PolarHBondContact N-OD1 2.8Å; I333-N373 PolarHBondContact O-ND2 2.93Å; L369-N373 VanDerWaalsContact O-CB 3.28Å; L369-N373 WeakPolarHBondContact O-CB 3.42Å; L369-N373 PolarHBondContact O-N 3.37Å; L369-N373 PolarHBondContact O-ND2 3.21Å; N373-G375 PolarHBondContact O-N 3.22Å |
| 374 | A | 88.9 | Confident | 88.3 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 35% | 0.347 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -0.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A370 K371 L372 R376 | A370-A374 VanDerWaalsContact O-CB 3.29Å; A370-A374 WeakPolarHBondContact O-CB 3.42Å; A370-A374 PolarHBondContact O-N 3.47Å; A370-A374 VanDerWaalsContact O-N 3.16Å; K371-A374 PolarHBondContact O-N 3.42Å; L372-A374 VanDerWaalsContact C-N 3.32Å; L372-A374 PolarHBondContact O-N 3.4Å; A374-R376 HydrophobicContact CB-CG 4.28Å; A374-R376 PolarHBondContact O-N 3.42Å |
| 375 | G | 80.9 | Confident | 88.2 | Confident | 19 Ų | 19 | 39 Ų | 39 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 12.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | L372 N373 G377 V406 | L372-G375 WeakPolarHBondContact O-CA 3.37Å; L372-G375 PolarHBondContact O-N 3.5Å; N373-G375 PolarHBondContact O-N 3.22Å; G375-G377 PolarHBondContact O-N 3.18Å; G375-V406 VanDerWaalsContact O-CG1 3.22Å; G375-V406 WeakPolarHBondContact O-CG1 3.16Å |
| 376 | R | 76.1 | Confident | 87.9 | Confident | 171 Ų | 171 | 38.5 Ų | 38.5 | 65% | 0.645 | 21% | 0.212 | S | C | * | . | trans | -90.5 | 88.1 | 178.9 | -67.6 | -175.4 | -67.1 | -145.7 | -0.3 | 109.4 | K371 A374 F378 | K371-R376 CarbonylContact C-O 3.56Å; K371-R376 CarbonylContact O-C 3.56Å; K371-R376 WeakPolarHBondContact O-CA 3.16Å; K371-R376 PolarHBondContact O-N 3.09Å; K371-R376 VanDerWaalsContact O-O 3.13Å; A374-R376 HydrophobicContact CB-CG 4.28Å; A374-R376 PolarHBondContact O-N 3.42Å; R376-F378 PolarHBondContact O-N 2.58Å | ||
| 377 | G | 71.9 | Confident | 87.7 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | trans | -65.2 | 118.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G375 K407 | G375-G377 PolarHBondContact O-N 3.18Å; G377-K407 WeakPolarHBondContact O-CE 3.33Å | ||
| 378 | F | 81.3 | Confident | 87.3 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 10% | 0.101 | 25% | 0.246 | C | C | . | . | trans | -91 | 167.2 | 176.2 | 51 | -91.5 | 0 | 0 | 0 | 112.4 | R368 K371 L372 R376 E383 M403 K407 | R368-F378 HydrophobicContact CB-CE1 4.31Å; R368-F378 HydrophobicContact CB-CZ 4.02Å; R368-F378 VanDerWaalsContact CD-CZ 3.49Å; R368-F378 HydrophobicContact CG-CZ 4.03Å; R368-F378 VanDerWaalsContact CZ-CE2 3.48Å; K371-F378 HydrophobicContact CB-CD1 3.63Å; K371-F378 HydrophobicContact CB-CE1 3.91Å; K371-F378 HydrophobicContact CD-CD1 4.07Å; K371-F378 HydrophobicContact CG-CD1 4.42Å; L372-F378 HydrophobicContact CD2-CD1 4.05Å; L372-F378 HydrophobicContact CD2-CE1 3.33Å; L372-F378 HydrophobicContact CD2-CZ 3.89Å; L372-F378 HydrophobicContact CG-CE1 3.76Å; L372-F378 HydrophobicContact CG-CZ 4.27Å; R376-F378 PolarHBondContact O-N 2.58Å; F378-E383 HydrophobicContact CD2-CG 3.79Å; F378-E383 HydrophobicContact CE2-CG 3.8Å; F378-M403 HydrophobicContact CD1-CE 4.39Å; F378-M403 HydrophobicContact CD2-CE 4.39Å; F378-M403 HydrophobicContact CE1-CE 4.49Å; F378-M403 HydrophobicContact CE2-CE 4.44Å; F378-M403 HydrophobicContact CG-CE 4.34Å; F378-M403 HydrophobicContact CZ-CE 4.49Å; F378-M403 WeakPolarHBondContact O-CE 3.25Å; F378-K407 WeakPolarHBondContact O-CE 3.45Å; F378-K407 PolarHBondContact O-NZ 3.39Å | ||
| 379 | T | 80 | Confident | 86.7 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | trans | -153.2 | 141.6 | 154.2 | 29.6 | 0 | 0 | 0 | 0 | 106 | E383 K407 | T379-E383 HydrophobicContact CG2-CB 4.46Å; T379-K407 PolarHBondContact OG1-NZ 3.44Å | ||
| 380 | D | 87.8 | Confident | 86.2 | Confident | 38 Ų | 38 | 47.8 Ų | 47.8 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | trans | -149.7 | 173.8 | 175.5 | 47 | 59.1 | 0 | 0 | 0 | 107.5 | R368 F382 E383 E384 | R368-D380 IonicContact CZ-OD1 3.98Å; R368-D380 IonicContact CZ-OD2 3.25Å; R368-D380 VanDerWaalsContact CZ-OD2 3.25Å; R368-D380 IonicContact NH1-OD2 2.79Å; R368-D380 PolarHBondContact NH1-OD2 2.86Å; R368-D380 VanDerWaalsContact NH2-CG 3.33Å; R368-D380 IonicContact NH2-OD1 2.95Å; R368-D380 PolarHBondContact NH2-OD1 3.22Å; R368-D380 IonicContact NH2-OD2 2.91Å; R368-D380 PolarHBondContact NH2-OD2 2.96Å; D380-F382 PolarHBondContact O-N 2.69Å; D380-F382 WeakPolarHBondContact OD1-CB 3.4Å; D380-F382 PolarHBondContact OD1-N 3.48Å; D380-E383 WeakPolarHBondContact O-CB 3.39Å; D380-E383 PolarHBondContact O-N 3.25Å; D380-E383 PolarHBondContact OD1-N 3.29Å; D380-E384 PolarHBondContact O-N 3.01Å; D380-E384 VanDerWaalsContact O-N 3.11Å | ||
| 381 | V | 90.9 | Very high | 85.6 | Confident | 34 Ų | 34 | 48.2 Ų | 48.2 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -24.7 | -171.9 | -153 | 0 | 0 | 0 | 0 | 112.5 | L161 L311 E385 | L161-V381 HydrophobicContact CD1-CG1 4.12Å; L161-V381 HydrophobicContact CG-CG1 4.43Å; L161-V381 HydrophobicContact CG-CG2 4.47Å; L311-V381 HydrophobicContact CD2-CB 4.08Å; L311-V381 HydrophobicContact CD2-CG1 3.72Å; V381-E385 WeakPolarHBondContact O-CB 3.22Å; V381-E385 PolarHBondContact O-N 3.31Å |
| 382 | F | 93.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.4 | -43.3 | 174.2 | 178.9 | -102.6 | 0 | 0 | 0 | 112.4 | P218 L311 Q314 A315 F318 Y321 F364 D380 E384 E385 I386 | P218-F382 HydrophobicContact CB-CB 4.23Å; P218-F382 HydrophobicContact CB-CG 4.3Å; P218-F382 HydrophobicContact CG-CB 3.98Å; P218-F382 HydrophobicContact CG-CD1 3.65Å; P218-F382 HydrophobicContact CG-CD2 3.75Å; P218-F382 HydrophobicContact CG-CE1 3.89Å; P218-F382 HydrophobicContact CG-CE2 3.98Å; P218-F382 HydrophobicContact CG-CG 3.54Å; P218-F382 HydrophobicContact CG-CZ 4.04Å; L311-F382 HydrophobicContact CD1-CB 3.95Å; L311-F382 HydrophobicContact CD1-CD2 4.11Å; Q314-F382 HydrophobicContact CB-CD2 4.41Å; Q314-F382 HydrophobicContact CB-CE2 3.91Å; A315-F382 HydrophobicContact CB-CD2 4.33Å; A315-F382 HydrophobicContact CB-CE2 4.17Å; F318-F382 HydrophobicContact CB-CZ 4.4Å; Y321-F382 HydrophobicContact CE1-CE1 4.04Å; F364-F382 HydrophobicContact CE1-CE1 4.47Å; F364-F382 HydrophobicContact CE2-CD1 4.43Å; F364-F382 HydrophobicContact CE2-CE1 4.17Å; F364-F382 HydrophobicContact CZ-CD1 4.24Å; F364-F382 AromaticContact CZ-CE1 3.62Å; F364-F382 HydrophobicContact CZ-CE1 3.62Å; F364-F382 HydrophobicContact CZ-CZ 4.39Å; D380-F382 PolarHBondContact O-N 2.69Å; D380-F382 WeakPolarHBondContact OD1-CB 3.4Å; D380-F382 PolarHBondContact OD1-N 3.48Å; F382-E384 PolarHBondContact O-N 2.91Å; F382-E385 PolarHBondContact O-N 2.95Å; F382-I386 HydrophobicContact CD1-CD1 3.62Å; F382-I386 HydrophobicContact CD1-CG1 4.48Å; F382-I386 HydrophobicContact CE1-CD1 3.29Å; F382-I386 HydrophobicContact CE1-CG1 4.32Å; F382-I386 HydrophobicContact CE2-CD1 4.31Å; F382-I386 HydrophobicContact CG-CD1 4.3Å; F382-I386 HydrophobicContact CZ-CD1 3.69Å; F382-I386 HydrophobicContact CZ-CG1 4.37Å; F382-I386 VanDerWaalsContact O-CG1 3.32Å; F382-I386 WeakPolarHBondContact O-CG1 3.38Å; F382-I386 PolarHBondContact O-N 2.83Å |
| 383 | E | 91.1 | Very high | 83 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -28.3 | 172.5 | -63.4 | -53.6 | 120.1 | 0 | 0 | 112.7 | Y321 R322 R368 F378 T379 D380 T387 Y399 | Y321-E383 PolarHBondContact OH-OE1 2.86Å; Y321-E383 PolarHBondContact OH-OE2 2.72Å; R322-E383 IonicContact CZ-OE2 3.35Å; R322-E383 IonicContact NE-OE2 3.13Å; R322-E383 PolarHBondContact NE-OE2 3.22Å; R322-E383 VanDerWaalsContact NE-OE2 3.13Å; R322-E383 VanDerWaalsContact NH2-CA 3.27Å; R322-E383 PolarHBondContact NH2-O 3.12Å; R322-E383 IonicContact NH2-OE2 2.7Å; R322-E383 PolarHBondContact NH2-OE2 3.28Å; R368-E383 IonicContact CZ-OE1 3.46Å; R368-E383 IonicContact NE-OE1 2.72Å; R368-E383 IonicContact NH2-OE1 2.69Å; R368-E383 PolarHBondContact NH2-OE1 3.02Å; F378-E383 HydrophobicContact CD2-CG 3.79Å; F378-E383 HydrophobicContact CE2-CG 3.8Å; T379-E383 HydrophobicContact CG2-CB 4.46Å; D380-E383 WeakPolarHBondContact O-CB 3.39Å; D380-E383 PolarHBondContact O-N 3.25Å; D380-E383 PolarHBondContact OD1-N 3.29Å; E383-T387 PolarHBondContact O-N 3.37Å; E383-T387 PolarHBondContact O-OG1 3.39Å; E383-Y399 PolarHBondContact OE2-OH 3.5Å |
| 384 | E | 90.6 | Very high | 81.1 | Confident | 91 Ų | 91 | 50.2 Ų | 50.2 | 43% | 0.425 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -76.2 | -51.5 | 175.8 | -69.7 | 163.7 | -174 | 0 | 0 | 111 | D380 F382 I386 T387 E388 | D380-E384 PolarHBondContact O-N 3.01Å; D380-E384 VanDerWaalsContact O-N 3.11Å; F382-E384 PolarHBondContact O-N 2.91Å; E384-I386 VanDerWaalsContact C-N 3.34Å; E384-I386 PolarHBondContact O-N 3.17Å; E384-T387 CarbonylContact O-C 3.58Å; E384-T387 WeakPolarHBondContact O-CA 3.13Å; E384-T387 VanDerWaalsContact O-CB 3.27Å; E384-T387 WeakPolarHBondContact O-CB 3.17Å; E384-T387 PolarHBondContact O-N 3.07Å; E384-E388 PolarHBondContact O-N 3.26Å |
| 385 | E | 92.6 | Very high | 79.3 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -32.3 | 177.8 | -174.2 | 83.3 | -135.7 | 0 | 0 | 112.7 | R308 L311 R312 A315 V381 F382 T387 G389 | R308-E385 WeakPolarHBondContact CG-OE2 3.3Å; L311-E385 HydrophobicContact CD2-CB 3.96Å; L311-E385 HydrophobicContact CD2-CG 4.31Å; L311-E385 HydrophobicContact CG-CB 4.21Å; L311-E385 HydrophobicContact CG-CG 4.31Å; R312-E385 HydrophobicContact CB-CG 4.03Å; R312-E385 WeakPolarHBondContact CB-OE1 3.09Å; R312-E385 WeakPolarHBondContact CD-OE1 3.41Å; R312-E385 HydrophobicContact CG-CG 4.22Å; R312-E385 WeakPolarHBondContact CG-OE1 3.3Å; R312-E385 IonicContact CZ-OE1 3.5Å; R312-E385 IonicContact NE-OE1 3.67Å; R312-E385 IonicContact NH1-OE1 2.68Å; R312-E385 PolarHBondContact NH1-OE1 3.11Å; A315-E385 HydrophobicContact CB-CB 4.37Å; A315-E385 HydrophobicContact CB-CG 3.98Å; V381-E385 WeakPolarHBondContact O-CB 3.22Å; V381-E385 PolarHBondContact O-N 3.31Å; F382-E385 PolarHBondContact O-N 2.95Å; E385-T387 VanDerWaalsContact C-N 3.27Å; E385-T387 PolarHBondContact O-N 2.93Å; E385-G389 WeakPolarHBondContact O-CA 3.34Å; E385-G389 PolarHBondContact O-N 3.46Å |
| 386 | I | 90.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 169.3 | -66.6 | 166 | 0 | 0 | 0 | 111.2 | A315 Y321 R322 F382 E384 G390 F391 C392 | A315-I386 HydrophobicContact CB-CG1 3.84Å; Y321-I386 HydrophobicContact CE1-CD1 3.98Å; R322-I386 VanDerWaalsContact NH1-CG2 3.33Å; F382-I386 HydrophobicContact CD1-CD1 3.62Å; F382-I386 HydrophobicContact CD1-CG1 4.48Å; F382-I386 HydrophobicContact CE1-CD1 3.29Å; F382-I386 HydrophobicContact CE1-CG1 4.32Å; F382-I386 HydrophobicContact CE2-CD1 4.31Å; F382-I386 HydrophobicContact CG-CD1 4.3Å; F382-I386 HydrophobicContact CZ-CD1 3.69Å; F382-I386 HydrophobicContact CZ-CG1 4.37Å; F382-I386 VanDerWaalsContact O-CG1 3.32Å; F382-I386 WeakPolarHBondContact O-CG1 3.38Å; F382-I386 PolarHBondContact O-N 2.83Å; E384-I386 VanDerWaalsContact C-N 3.34Å; E384-I386 PolarHBondContact O-N 3.17Å; I386-G390 PolarHBondContact O-N 2.93Å; I386-F391 HydrophobicContact CG2-CB 4.39Å; I386-F391 PolarHBondContact O-N 3.37Å; I386-F391 VanDerWaalsContact O-N 3.15Å; I386-C392 HydrophobicContact CG2-CB 3.99Å; I386-C392 VanDerWaalsContact CG2-SG 3.59Å |
| 387 | T | 88.5 | Confident | 77.1 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 36% | 0.362 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.2 | -48.4 | -178.4 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | R322 E383 E384 E385 Q400 | R322-T387 PolarHBondContact NH1-OG1 2.81Å; E383-T387 PolarHBondContact O-N 3.37Å; E383-T387 PolarHBondContact O-OG1 3.39Å; E384-T387 CarbonylContact O-C 3.58Å; E384-T387 WeakPolarHBondContact O-CA 3.13Å; E384-T387 VanDerWaalsContact O-CB 3.27Å; E384-T387 WeakPolarHBondContact O-CB 3.17Å; E384-T387 PolarHBondContact O-N 3.07Å; E385-T387 VanDerWaalsContact C-N 3.27Å; E385-T387 PolarHBondContact O-N 2.93Å; T387-Q400 PolarHBondContact OG1-NE2 3.13Å |
| 388 | E | 85.5 | Confident | 76.6 | Confident | 157 Ų | 157 | 58.4 Ų | 58.4 | 73% | 0.734 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71.7 | -34.7 | 180 | -65.7 | -173.9 | 175.2 | 0 | 0 | 112.7 | E384 | E384-E388 PolarHBondContact O-N 3.26Å |
| 389 | G | 79.3 | Confident | 75.8 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 22% | 0.216 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -80.3 | -12.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E385 F391 | E385-G389 WeakPolarHBondContact O-CA 3.34Å; E385-G389 PolarHBondContact O-N 3.46Å; G389-F391 VanDerWaalsContact C-N 3.3Å; G389-F391 PolarHBondContact O-N 2.7Å |
| 390 | G | 80.4 | Confident | 75.1 | Confident | 54 Ų | 54 | 58.6 Ų | 58.6 | 56% | 0.557 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 22.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | I386 C392 | I386-G390 PolarHBondContact O-N 2.93Å; G390-C392 PolarHBondContact O-N 3.3Å |
| 391 | F | 79.1 | Confident | 73.8 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | trans | -78.8 | 17.8 | -172.5 | -55.3 | -61.8 | 0 | 0 | 0 | 114.9 | R312 A315 A316 G319 S320 I386 G389 | R312-F391 HydrophobicContact CG-CE2 3.8Å; R312-F391 HydrophobicContact CG-CZ 3.81Å; A315-F391 HydrophobicContact CB-CD2 3.68Å; A315-F391 HydrophobicContact CB-CE2 4.01Å; A315-F391 VanDerWaalsContact O-CB 3.25Å; A315-F391 WeakPolarHBondContact O-CB 3.49Å; A316-F391 HydrophobicContact CB-CD1 3.84Å; A316-F391 HydrophobicContact CB-CE1 3.61Å; A316-F391 HydrophobicContact CB-CE2 4.45Å; A316-F391 HydrophobicContact CB-CG 4.37Å; A316-F391 HydrophobicContact CB-CZ 3.93Å; G319-F391 CarbonylContact C-O 3.59Å; G319-F391 VanDerWaalsContact C-O 3.25Å; S320-F391 PolarHBondContact N-O 2.88Å; I386-F391 HydrophobicContact CG2-CB 4.39Å; I386-F391 PolarHBondContact O-N 3.37Å; I386-F391 VanDerWaalsContact O-N 3.15Å; G389-F391 VanDerWaalsContact C-N 3.3Å; G389-F391 PolarHBondContact O-N 2.7Å | ||
| 392 | C | 65.4 | Low | 72.6 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -135.5 | 151.9 | 171.6 | 55.7 | 0 | 0 | 0 | 0 | 109.7 | R322 I386 G390 S396 | R322-C392 HydrophobicContact CB-CB 4.37Å; I386-C392 HydrophobicContact CG2-CB 3.99Å; I386-C392 VanDerWaalsContact CG2-SG 3.59Å; G390-C392 PolarHBondContact O-N 3.3Å; C392-S396 VanDerWaalsContact SG-CB 3.53Å |
| 393 | G | 58.3 | Low | 71.2 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | trans | -66.5 | -176.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D323 N395 S396 | D323-G393 PolarHBondContact OD2-N 3.12Å; G393-N395 PolarHBondContact O-N 2.94Å; G393-S396 WeakPolarHBondContact O-CB 3.34Å; G393-S396 PolarHBondContact O-N 3.3Å; G393-S396 PolarHBondContact O-OG 2.95Å | ||
| 394 | S | 49.9 | Very low | 69.8 | Low | 122 Ų | 122 | 70 Ų | 70 | 85% | 0.853 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -14.2 | -178 | -48.7 | 0 | 0 | 0 | 0 | 114.6 | S396 | S394-S396 VanDerWaalsContact C-N 3.3Š|
| 395 | N | 52.5 | Low | 68.5 | Low | 112 Ų | 112 | 68.8 Ų | 68.8 | 60% | 0.599 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4.2 | 174 | -69.6 | -23.5 | 0 | 0 | 0 | 114.2 | G393 R397 S398 Y399 | G393-N395 PolarHBondContact O-N 2.94Å; N395-R397 PolarHBondContact O-N 3.46Å; N395-R397 VanDerWaalsContact O-N 3.14Å; N395-S398 WeakPolarHBondContact O-CA 3.33Å; N395-S398 WeakPolarHBondContact O-CB 3.35Å; N395-S398 PolarHBondContact O-N 3.47Å; N395-Y399 PolarHBondContact O-N 3.5Å; N395-Y399 VanDerWaalsContact O-N 3.16Å |
| 396 | S | 54.7 | Low | 67.1 | Low | 32 Ų | 32 | 68.6 Ų | 68.6 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -48.8 | -40.4 | 178.5 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | C392 G393 S394 S398 Y399 Q400 | C392-S396 VanDerWaalsContact SG-CB 3.53Å; G393-S396 WeakPolarHBondContact O-CB 3.34Å; G393-S396 PolarHBondContact O-N 3.3Å; G393-S396 PolarHBondContact O-OG 2.95Å; S394-S396 VanDerWaalsContact C-N 3.3Å; S396-S398 VanDerWaalsContact C-N 3.32Å; S396-S398 PolarHBondContact O-N 2.87Å; S396-Y399 PolarHBondContact O-N 2.94Å; S396-Q400 WeakPolarHBondContact O-CG 3.45Å; S396-Q400 PolarHBondContact O-N 3.23Å |
| 397 | R | 55.8 | Low | 65.6 | Low | 204 Ų | 204 | 73.2 Ų | 73.2 | 77% | 0.77 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.6 | -36.1 | 174.5 | -65.3 | -177.3 | -180 | 178.6 | 1 | 112.9 | N395 Q401 | N395-R397 PolarHBondContact O-N 3.46Å; N395-R397 VanDerWaalsContact O-N 3.14Å; R397-Q401 VanDerWaalsContact O-CB 3.24Å; R397-Q401 WeakPolarHBondContact O-CB 3.37Å; R397-Q401 PolarHBondContact O-N 3.02Å |
| 398 | S | 59.8 | Low | 64 | Low | 78 Ų | 78 | 79.4 Ų | 79.4 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.1 | -45.9 | 175.9 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | N395 S396 Q400 Q401 W402 | N395-S398 WeakPolarHBondContact O-CA 3.33Å; N395-S398 WeakPolarHBondContact O-CB 3.35Å; N395-S398 PolarHBondContact O-N 3.47Å; S396-S398 VanDerWaalsContact C-N 3.32Å; S396-S398 PolarHBondContact O-N 2.87Å; S398-Q400 PolarHBondContact O-N 2.9Å; S398-Q401 PolarHBondContact O-N 3.11Å; S398-W402 VanDerWaalsContact O-CB 3.23Å; S398-W402 WeakPolarHBondContact O-CB 3.47Å; S398-W402 PolarHBondContact O-N 3.33Å |
| 399 | Y | 65.8 | Low | 62.1 | Low | 24 Ų | 24 | 73.4 Ų | 73.4 | 9% | 0.094 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 174.2 | 178.5 | -104.1 | 0 | 0 | 0 | 111.7 | Y321 R322 L325 E383 N395 S396 W402 M403 | Y321-Y399 PolarHBondContact OH-OH 2.88Å; R322-Y399 HydrophobicContact CG-CD1 4.34Å; R322-Y399 HydrophobicContact CG-CE1 4.08Å; R322-Y399 VanDerWaalsContact NE-CE1 3.31Å; L325-Y399 HydrophobicContact CD1-CD2 4.31Å; L325-Y399 HydrophobicContact CD1-CE2 3.74Å; E383-Y399 PolarHBondContact OE2-OH 3.5Å; N395-Y399 PolarHBondContact O-N 3.5Å; N395-Y399 VanDerWaalsContact O-N 3.16Å; S396-Y399 PolarHBondContact O-N 2.94Å; Y399-W402 HydrophobicContact CD2-CE3 4.41Å; Y399-W402 HydrophobicContact CE2-CZ3 4.44Å; Y399-W402 PolarHBondContact O-N 3.42Å; Y399-M403 HydrophobicContact CD1-CG 4.16Å; Y399-M403 HydrophobicContact CD1-SD 4.31Å; Y399-M403 HydrophobicContact CD2-CG 4.37Å; Y399-M403 HydrophobicContact CE1-CG 3.86Å; Y399-M403 HydrophobicContact CE1-SD 3.49Å; Y399-M403 WeakPolarHBondContact CE1-SD 3.37Å; Y399-M403 HydrophobicContact CE2-CG 4.08Å; Y399-M403 HydrophobicContact CE2-SD 4.26Å; Y399-M403 HydrophobicContact CG-CG 4.42Å; Y399-M403 WeakPolarHBondContact O-CB 3.49Å; Y399-M403 VanDerWaalsContact O-CG 3.3Å; Y399-M403 WeakPolarHBondContact O-CG 3.46Å; Y399-M403 PolarHBondContact O-N 3.42Å; Y399-M403 PolarHBondContact OH-SD 2.71Å |
| 400 | Q | 64.9 | Low | 60.5 | Low | 85 Ų | 85 | 73.2 Ų | 73.2 | 40% | 0.397 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 176.6 | -73.4 | -175.4 | -15.3 | 0 | 0 | 113.2 | T387 S396 S398 W402 M403 H404 | T387-Q400 PolarHBondContact OG1-NE2 3.13Å; S396-Q400 WeakPolarHBondContact O-CG 3.45Å; S396-Q400 PolarHBondContact O-N 3.23Å; S398-Q400 PolarHBondContact O-N 2.9Å; Q400-W402 VanDerWaalsContact C-N 3.27Å; Q400-W402 PolarHBondContact O-N 2.92Å; Q400-M403 PolarHBondContact O-N 3.39Å; Q400-H404 VanDerWaalsContact O-CB 3.29Å; Q400-H404 WeakPolarHBondContact O-CB 3.29Å; Q400-H404 PolarHBondContact O-N 3.43Å |
| 401 | Q | 59.8 | Low | 58.9 | Low | 144 Ų | 144 | 72.8 Ų | 72.8 | 67% | 0.673 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.7 | -37.2 | 177.4 | -174.4 | 173.4 | 2.7 | 0 | 0 | 111.2 | R397 S398 T405 | R397-Q401 VanDerWaalsContact O-CB 3.24Å; R397-Q401 WeakPolarHBondContact O-CB 3.37Å; R397-Q401 PolarHBondContact O-N 3.02Å; S398-Q401 PolarHBondContact O-N 3.11Å; Q401-T405 PolarHBondContact O-N 2.94Å; Q401-T405 VanDerWaalsContact O-N 3.09Å; Q401-T405 PolarHBondContact O-OG1 3.1Å |
| 402 | W | 65.4 | Low | 57.2 | Low | 60 Ų | 60 | 76.5 Ų | 76.5 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.3 | -49.1 | 173.3 | 177.8 | 85.1 | 0 | 0 | 0 | 112.2 | I333 L372 S398 Y399 Q400 H404 T405 V406 | I333-W402 HydrophobicContact CD1-CH2 3.55Å; I333-W402 HydrophobicContact CD1-CZ2 3.43Å; I333-W402 VanDerWaalsContact CD1-CZ2 3.43Å; I333-W402 HydrophobicContact CG1-CZ2 4.41Å; L372-W402 HydrophobicContact CB-CH2 4.15Å; L372-W402 HydrophobicContact CD1-CH2 3.96Å; L372-W402 HydrophobicContact CD1-CZ3 4Å; L372-W402 HydrophobicContact CD2-CH2 3.83Å; L372-W402 HydrophobicContact CD2-CZ3 3.78Å; L372-W402 HydrophobicContact CG-CH2 4.17Å; L372-W402 HydrophobicContact CG-CZ3 4.4Å; S398-W402 VanDerWaalsContact O-CB 3.23Å; S398-W402 WeakPolarHBondContact O-CB 3.47Å; S398-W402 PolarHBondContact O-N 3.33Å; Y399-W402 HydrophobicContact CD2-CE3 4.41Å; Y399-W402 HydrophobicContact CE2-CZ3 4.44Å; Y399-W402 PolarHBondContact O-N 3.42Å; Q400-W402 VanDerWaalsContact C-N 3.27Å; Q400-W402 PolarHBondContact O-N 2.92Å; W402-H404 VanDerWaalsContact C-N 3.3Å; W402-H404 PolarHBondContact O-N 2.97Å; W402-T405 CarbonylContact O-C 3.59Å; W402-T405 WeakPolarHBondContact O-CA 3.25Å; W402-T405 VanDerWaalsContact O-CB 3.29Å; W402-T405 WeakPolarHBondContact O-CB 3.2Å; W402-T405 PolarHBondContact O-N 3.3Å; W402-V406 HydrophobicContact CD2-CG2 4.01Å; W402-V406 HydrophobicContact CE3-CG2 4.37Å; W402-V406 HydrophobicContact CH2-CG2 3.85Å; W402-V406 HydrophobicContact CZ2-CG2 3.45Å; W402-V406 VanDerWaalsContact CZ2-CG2 3.45Å; W402-V406 HydrophobicContact CZ3-CG2 4.3Å; W402-V406 WeakPolarHBondContact O-CG2 3.42Å; W402-V406 PolarHBondContact O-N 3.41Å |
| 403 | M | 64.9 | Low | 56.1 | Low | 12 Ų | 12 | 82.8 Ų | 82.8 | 6% | 0.059 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.7 | -41.5 | 175.9 | -75.7 | -142.2 | 85.4 | 0 | 0 | 112 | L372 F378 Y399 Q400 T405 V406 K407 | L372-M403 HydrophobicContact CD2-CE 3.94Å; F378-M403 HydrophobicContact CD1-CE 4.39Å; F378-M403 HydrophobicContact CD2-CE 4.39Å; F378-M403 HydrophobicContact CE1-CE 4.49Å; F378-M403 HydrophobicContact CE2-CE 4.44Å; F378-M403 HydrophobicContact CG-CE 4.34Å; F378-M403 HydrophobicContact CZ-CE 4.49Å; F378-M403 WeakPolarHBondContact O-CE 3.25Å; Y399-M403 HydrophobicContact CD1-CG 4.16Å; Y399-M403 HydrophobicContact CD1-SD 4.31Å; Y399-M403 HydrophobicContact CD2-CG 4.37Å; Y399-M403 HydrophobicContact CE1-CG 3.86Å; Y399-M403 HydrophobicContact CE1-SD 3.49Å; Y399-M403 WeakPolarHBondContact CE1-SD 3.37Å; Y399-M403 HydrophobicContact CE2-CG 4.08Å; Y399-M403 HydrophobicContact CE2-SD 4.26Å; Y399-M403 HydrophobicContact CG-CG 4.42Å; Y399-M403 WeakPolarHBondContact O-CB 3.49Å; Y399-M403 VanDerWaalsContact O-CG 3.3Å; Y399-M403 WeakPolarHBondContact O-CG 3.46Å; Y399-M403 PolarHBondContact O-N 3.42Å; Y399-M403 PolarHBondContact OH-SD 2.71Å; Q400-M403 PolarHBondContact O-N 3.39Å; M403-T405 VanDerWaalsContact C-N 3.28Å; M403-T405 PolarHBondContact O-N 3.23Å; M403-V406 PolarHBondContact O-N 3.07Å; M403-K407 WeakPolarHBondContact O-CB 3.47Å; M403-K407 WeakPolarHBondContact O-CG 3.46Å; M403-K407 PolarHBondContact O-N 3.22Å |
| 404 | H | 61 | Low | 55.2 | Low | 99 Ų | 99 | 85.9 Ų | 85.9 | 46% | 0.458 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.2 | -29.4 | 174.9 | -174.8 | -120.6 | 0 | 0 | 0 | 112.5 | Q400 W402 R408 | Q400-H404 VanDerWaalsContact O-CB 3.29Å; Q400-H404 WeakPolarHBondContact O-CB 3.29Å; Q400-H404 PolarHBondContact O-N 3.43Å; W402-H404 VanDerWaalsContact C-N 3.3Å; W402-H404 PolarHBondContact O-N 2.97Å; H404-R408 PolarHBondContact CE1-NE 2.94Å; H404-R408 PolarHBondContact CE1-NH2 2.81Å; H404-R408 PolarHBondContact NE2-NE 3.48Å; H404-R408 PolarHBondContact NE2-NH2 2.91Å; H404-R408 WeakPolarHBondContact O-CG 3.36Å; H404-R408 PolarHBondContact O-N 2.99Å |
| 405 | T | 64.1 | Low | 54.9 | Low | 65 Ų | 65 | 84 Ų | 84 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.9 | -40.4 | 171.3 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | Q401 W402 M403 R408 G410 | Q401-T405 PolarHBondContact O-N 2.94Å; Q401-T405 VanDerWaalsContact O-N 3.09Å; Q401-T405 PolarHBondContact O-OG1 3.1Å; W402-T405 CarbonylContact O-C 3.59Å; W402-T405 WeakPolarHBondContact O-CA 3.25Å; W402-T405 VanDerWaalsContact O-CB 3.29Å; W402-T405 WeakPolarHBondContact O-CB 3.2Å; W402-T405 PolarHBondContact O-N 3.3Å; M403-T405 VanDerWaalsContact C-N 3.28Å; M403-T405 PolarHBondContact O-N 3.23Å; T405-R408 PolarHBondContact O-N 3.07Å; T405-G410 PolarHBondContact O-N 3.4Å |
| 406 | V | 62.4 | Low | 54.3 | Low | 5 Ų | 5 | 81.6 Ų | 81.6 | 3% | 0.03 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.5 | -46.3 | 176.7 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | G375 W402 M403 R408 G409 | G375-V406 VanDerWaalsContact O-CG1 3.22Å; G375-V406 WeakPolarHBondContact O-CG1 3.16Å; W402-V406 HydrophobicContact CD2-CG2 4.01Å; W402-V406 HydrophobicContact CE3-CG2 4.37Å; W402-V406 HydrophobicContact CH2-CG2 3.85Å; W402-V406 HydrophobicContact CZ2-CG2 3.45Å; W402-V406 VanDerWaalsContact CZ2-CG2 3.45Å; W402-V406 HydrophobicContact CZ3-CG2 4.3Å; W402-V406 WeakPolarHBondContact O-CG2 3.42Å; W402-V406 PolarHBondContact O-N 3.41Å; M403-V406 PolarHBondContact O-N 3.07Å; V406-R408 PolarHBondContact O-N 2.89Å; V406-G409 WeakPolarHBondContact O-CA 3.27Å; V406-G409 PolarHBondContact O-N 3.4Å |
| 407 | K | 61.1 | Low | 53.8 | Low | 96 Ų | 96 | 84.1 Ų | 84.1 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.5 | -25.1 | 175.8 | -76.6 | -176.3 | 170.9 | -173.9 | 0 | 113.5 | G377 F378 T379 M403 G409 | G377-K407 WeakPolarHBondContact O-CE 3.33Å; F378-K407 WeakPolarHBondContact O-CE 3.45Å; F378-K407 PolarHBondContact O-NZ 3.39Å; T379-K407 PolarHBondContact OG1-NZ 3.44Å; M403-K407 WeakPolarHBondContact O-CB 3.47Å; M403-K407 WeakPolarHBondContact O-CG 3.46Å; M403-K407 PolarHBondContact O-N 3.22Å; K407-G409 VanDerWaalsContact C-N 3.31Å |
| 408 | R | 54.9 | Low | 53.2 | Low | 189 Ų | 189 | 77.5 Ų | 77.5 | 71% | 0.713 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 11.2 | 171.6 | -70 | 179.8 | -178.7 | -144.7 | -1.5 | 113.7 | H404 T405 V406 G410 | H404-R408 PolarHBondContact CE1-NE 2.94Å; H404-R408 PolarHBondContact CE1-NH2 2.81Å; H404-R408 PolarHBondContact NE2-NE 3.48Å; H404-R408 PolarHBondContact NE2-NH2 2.91Å; H404-R408 WeakPolarHBondContact O-CG 3.36Å; H404-R408 PolarHBondContact O-N 2.99Å; T405-R408 PolarHBondContact O-N 3.07Å; V406-R408 PolarHBondContact O-N 2.89Å; R408-G410 PolarHBondContact O-N 3.05Å |
| 409 | G | 45.3 | Very low | 52.6 | Low | 31 Ų | 31 | 81 Ų | 81 | 32% | 0.32 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 6.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V406 K407 A411 F413 | V406-G409 WeakPolarHBondContact O-CA 3.27Å; V406-G409 PolarHBondContact O-N 3.4Å; K407-G409 VanDerWaalsContact C-N 3.31Å; G409-A411 PolarHBondContact O-N 3.41Å; G409-A411 VanDerWaalsContact O-N 3.11Å; G409-F413 WeakPolarHBondContact O-CD2 3.32Å |
| 410 | G | 45.2 | Very low | 51.5 | Low | 17 Ų | 17 | 82.7 Ų | 82.7 | 18% | 0.175 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.4 | -14.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | T405 R408 N414 | T405-G410 PolarHBondContact O-N 3.4Å; R408-G410 PolarHBondContact O-N 3.05Å; G410-N414 PolarHBondContact O-ND2 3.2Å |
| 411 | A | 46.8 | Very low | 50.6 | Low | 45 Ų | 45 | 85.3 Ų | 85.3 | 37% | 0.372 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.1 | -42 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G409 | G409-A411 PolarHBondContact O-N 3.41Å; G409-A411 VanDerWaalsContact O-N 3.11Å |
| 412 | F | 44 | Very low | 50.3 | Low | 134 Ų | 134 | 83.1 Ų | 83.1 | 59% | 0.588 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -81.5 | -30.5 | -173.6 | -65.5 | -64 | 0 | 0 | 0 | 113.7 | ||
| 413 | F | 41.3 | Very low | 49.7 | Very low | 149 Ų | 149 | 87.3 Ų | 87.3 | 65% | 0.654 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.8 | -36.3 | 178.9 | -70 | -74.6 | 0 | 0 | 0 | 113.1 | G409 T415 A416 V417 | G409-F413 WeakPolarHBondContact O-CD2 3.32Å; F413-T415 VanDerWaalsContact C-N 3.33Å; F413-T415 PolarHBondContact O-N 3.06Å; F413-A416 PolarHBondContact O-N 3.1Å; F413-V417 WeakPolarHBondContact O-CB 3.45Å; F413-V417 WeakPolarHBondContact O-CG2 3.49Å; F413-V417 PolarHBondContact O-N 3.36Å |
| 414 | N | 39.6 | Very low | 49 | Very low | 100 Ų | 100 | 89.2 Ų | 89.2 | 54% | 0.535 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.6 | -31.7 | -176.7 | -79 | -44.4 | 0 | 0 | 0 | 113.3 | G410 S418 | G410-N414 PolarHBondContact O-ND2 3.2Å; N414-S418 WeakPolarHBondContact O-CB 3.49Å; N414-S418 PolarHBondContact O-N 2.84Å; N414-S418 PolarHBondContact O-OG 3.17Å |
| 415 | T | 44.6 | Very low | 48.7 | Very low | 83 Ų | 83 | 91 Ų | 91 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.6 | -43 | 175.2 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | F413 K419 | F413-T415 VanDerWaalsContact C-N 3.33Å; F413-T415 PolarHBondContact O-N 3.06Å; T415-K419 WeakPolarHBondContact O-CG 3.3Å; T415-K419 PolarHBondContact O-N 2.83Å |
| 416 | A | 38.1 | Very low | 48.2 | Very low | 62 Ų | 62 | 96 Ų | 96 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -48.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F413 S418 K419 A420 | F413-A416 PolarHBondContact O-N 3.1Å; A416-S418 VanDerWaalsContact C-N 3.32Å; A416-S418 PolarHBondContact O-N 2.95Å; A416-K419 PolarHBondContact O-N 3.49Å; A416-A420 WeakPolarHBondContact O-CB 3.42Å; A416-A420 PolarHBondContact O-N 3.21Å |
| 417 | V | 45.1 | Very low | 47.7 | Very low | 84 Ų | 84 | 97.2 Ų | 97.2 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 178 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | F413 A420 K421 | F413-V417 WeakPolarHBondContact O-CB 3.45Å; F413-V417 WeakPolarHBondContact O-CG2 3.49Å; F413-V417 PolarHBondContact O-N 3.36Å; V417-A420 PolarHBondContact O-N 2.79Å; V417-K421 WeakPolarHBondContact O-CB 3.38Å; V417-K421 PolarHBondContact O-N 3.33Å |
| 418 | S | 44 | Very low | 47.5 | Very low | 66 Ų | 66 | 98.4 Ų | 98.4 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.5 | -46 | 177.2 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | N414 A416 A420 K421 V422 | N414-S418 WeakPolarHBondContact O-CB 3.49Å; N414-S418 PolarHBondContact O-N 2.84Å; N414-S418 PolarHBondContact O-OG 3.17Å; A416-S418 VanDerWaalsContact C-N 3.32Å; A416-S418 PolarHBondContact O-N 2.95Å; S418-A420 VanDerWaalsContact C-N 3.35Å; S418-A420 PolarHBondContact O-N 3.16Å; S418-K421 PolarHBondContact O-N 2.95Å; S418-V422 WeakPolarHBondContact O-CG2 3.23Å; S418-V422 PolarHBondContact O-N 3.44Å |
| 419 | K | 45.6 | Very low | 47.6 | Very low | 150 Ų | 150 | 97.9 Ų | 97.9 | 65% | 0.652 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.2 | -42.3 | 175.1 | -73.6 | -177.7 | 177.7 | -178.1 | 0 | 111.6 | T415 A416 V422 H423 | T415-K419 WeakPolarHBondContact O-CG 3.3Å; T415-K419 PolarHBondContact O-N 2.83Å; A416-K419 PolarHBondContact O-N 3.49Å; K419-V422 PolarHBondContact O-N 3.36Å; K419-H423 PolarHBondContact O-N 2.7Å |
| 420 | A | 43.6 | Very low | 48 | Very low | 61 Ų | 61 | 100.9 Ų | 100.9 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A416 V417 S418 V422 H423 A424 | A416-A420 WeakPolarHBondContact O-CB 3.42Å; A416-A420 PolarHBondContact O-N 3.21Å; V417-A420 PolarHBondContact O-N 2.79Å; S418-A420 VanDerWaalsContact C-N 3.35Å; S418-A420 PolarHBondContact O-N 3.16Å; A420-V422 VanDerWaalsContact C-N 3.34Å; A420-V422 PolarHBondContact O-N 3Å; A420-H423 PolarHBondContact O-N 3.13Å; A420-A424 WeakPolarHBondContact O-CB 3.29Å; A420-A424 PolarHBondContact O-N 2.98Å |
| 421 | K | 46.8 | Very low | 48.5 | Very low | 140 Ų | 140 | 105.3 Ų | 105.3 | 61% | 0.609 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.7 | -32 | 179.1 | -164.8 | 171.4 | -171.8 | 175.6 | 0 | 112.4 | V417 S418 K425 | V417-K421 WeakPolarHBondContact O-CB 3.38Å; V417-K421 PolarHBondContact O-N 3.33Å; S418-K421 PolarHBondContact O-N 2.95Å; K421-K425 WeakPolarHBondContact O-CB 3.37Å; K421-K425 WeakPolarHBondContact O-CG 3.35Å; K421-K425 PolarHBondContact O-N 2.79Å; K421-K425 VanDerWaalsContact O-N 3.11Å |
| 422 | V | 52.4 | Low | 48.8 | Very low | 98 Ų | 98 | 110.4 Ų | 110.4 | 59% | 0.594 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.1 | -46.2 | 170.6 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | S418 K419 A420 A424 K425 R426 | S418-V422 WeakPolarHBondContact O-CG2 3.23Å; S418-V422 PolarHBondContact O-N 3.44Å; K419-V422 PolarHBondContact O-N 3.36Å; A420-V422 VanDerWaalsContact C-N 3.34Å; A420-V422 PolarHBondContact O-N 3Å; V422-A424 PolarHBondContact O-N 3.26Å; V422-K425 CarbonylContact O-C 3.56Å; V422-K425 PolarHBondContact O-N 3.39Å; V422-R426 PolarHBondContact O-N 2.93Å |
| 423 | H | 52.3 | Low | 49.1 | Very low | 147 Ų | 147 | 106 Ų | 106 | 68% | 0.681 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.6 | -43.9 | 176.2 | -108.6 | -91.8 | 0 | 0 | 0 | 112.4 | K419 A420 K425 R426 G427 | K419-H423 PolarHBondContact O-N 2.7Å; A420-H423 PolarHBondContact O-N 3.13Å; H423-K425 PolarHBondContact O-N 3.24Å; H423-R426 PolarHBondContact O-N 3.11Å; H423-R426 VanDerWaalsContact O-N 3.14Å; H423-G427 PolarHBondContact O-N 2.79Å |
| 424 | A | 51.3 | Low | 49.7 | Very low | 53 Ų | 53 | 108.9 Ų | 108.9 | 44% | 0.438 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61 | -44.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A420 V422 R426 G427 I428 | A420-A424 WeakPolarHBondContact O-CB 3.29Å; A420-A424 PolarHBondContact O-N 2.98Å; V422-A424 PolarHBondContact O-N 3.26Å; A424-R426 PolarHBondContact O-N 2.77Å; A424-G427 PolarHBondContact O-N 3.33Å; A424-I428 WeakPolarHBondContact O-CB 3.27Å; A424-I428 WeakPolarHBondContact O-CD1 3.37Å; A424-I428 VanDerWaalsContact O-CG1 3.26Å; A424-I428 WeakPolarHBondContact O-CG1 3.3Å; A424-I428 PolarHBondContact O-N 2.71Å |
| 425 | K | 53.8 | Low | 50.1 | Low | 136 Ų | 136 | 109.6 Ų | 109.6 | 59% | 0.591 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.1 | -11.5 | 175.1 | -79.9 | -170.2 | 170.8 | -166.4 | 0 | 114.8 | K421 V422 H423 | K421-K425 WeakPolarHBondContact O-CB 3.37Å; K421-K425 WeakPolarHBondContact O-CG 3.35Å; K421-K425 PolarHBondContact O-N 2.79Å; K421-K425 VanDerWaalsContact O-N 3.11Å; V422-K425 CarbonylContact O-C 3.56Å; V422-K425 PolarHBondContact O-N 3.39Å; H423-K425 PolarHBondContact O-N 3.24Å |
| 426 | R | 54.4 | Low | 50.3 | Low | 170 Ų | 170 | 112.7 Ų | 112.7 | 64% | 0.642 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -90.6 | -52 | 170 | -160.2 | 172 | -169.9 | 164.7 | 5.2 | 110.5 | V422 H423 A424 I428 R429 D430 | V422-R426 PolarHBondContact O-N 2.93Å; H423-R426 PolarHBondContact O-N 3.11Å; H423-R426 VanDerWaalsContact O-N 3.14Å; A424-R426 PolarHBondContact O-N 2.77Å; R426-I428 PolarHBondContact O-N 2.95Å; R426-R429 WeakPolarHBondContact O-CA 3.47Å; R426-R429 VanDerWaalsContact O-CB 3.27Å; R426-R429 WeakPolarHBondContact O-CB 3.23Å; R426-R429 PolarHBondContact O-N 3.25Å; R426-D430 PolarHBondContact O-N 3.32Å |
| 427 | G | 50.7 | Low | 50.8 | Low | 30 Ų | 30 | 113.7 Ų | 113.7 | 31% | 0.309 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -56.3 | -42.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | H423 A424 R429 D430 I431 | H423-G427 PolarHBondContact O-N 2.79Å; A424-G427 PolarHBondContact O-N 3.33Å; G427-R429 PolarHBondContact O-N 2.94Å; G427-D430 PolarHBondContact O-N 2.81Å; G427-I431 WeakPolarHBondContact O-CB 3.39Å; G427-I431 WeakPolarHBondContact O-CD1 3.17Å; G427-I431 VanDerWaalsContact O-CG1 3.23Å; G427-I431 WeakPolarHBondContact O-CG1 3.34Å; G427-I431 PolarHBondContact O-N 3.38Å |
| 428 | I | 57.8 | Low | 51 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 62% | 0.621 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.1 | -30.2 | 174.8 | -68.1 | 167.1 | 0 | 0 | 0 | 111.8 | A424 R426 K432 | A424-I428 WeakPolarHBondContact O-CB 3.27Å; A424-I428 WeakPolarHBondContact O-CD1 3.37Å; A424-I428 VanDerWaalsContact O-CG1 3.26Å; A424-I428 WeakPolarHBondContact O-CG1 3.3Å; A424-I428 PolarHBondContact O-N 2.71Å; R426-I428 PolarHBondContact O-N 2.95Å; I428-K432 VanDerWaalsContact O-CB 3.3Å; I428-K432 WeakPolarHBondContact O-CB 3.38Å; I428-K432 PolarHBondContact O-N 2.89Å; I428-K432 VanDerWaalsContact O-N 3.13Å |
| 429 | R | 57.8 | Low | 51 | Low | 178 Ų | 178 | 124 Ų | 124 | 67% | 0.672 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -77.9 | -43.2 | 179.2 | -152.3 | -177.1 | -51.4 | -150.6 | 5.9 | 111.4 | R426 G427 K432 G433 | R426-R429 WeakPolarHBondContact O-CA 3.47Å; R426-R429 VanDerWaalsContact O-CB 3.27Å; R426-R429 WeakPolarHBondContact O-CB 3.23Å; R426-R429 PolarHBondContact O-N 3.25Å; G427-R429 PolarHBondContact O-N 2.94Å; R429-K432 PolarHBondContact O-N 3.09Å; R429-G433 PolarHBondContact O-N 3.43Å |
| 430 | D | 52.5 | Low | 50.9 | Low | 94 Ų | 94 | 123.9 Ų | 123.9 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68 | -37.5 | 178.8 | -57.9 | -22.7 | 0 | 0 | 0 | 111.2 | R426 G427 G433 R434 | R426-D430 PolarHBondContact O-N 3.32Å; G427-D430 PolarHBondContact O-N 2.81Å; D430-G433 PolarHBondContact O-N 3.04Å; D430-R434 PolarHBondContact O-N 3.44Å |
| 431 | I | 56.3 | Low | 51.1 | Low | 110 Ų | 110 | 129.9 Ų | 129.9 | 56% | 0.564 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.1 | -43.6 | 171.5 | -68.6 | 166.4 | 0 | 0 | 0 | 110.9 | G427 G433 R434 L435 | G427-I431 WeakPolarHBondContact O-CB 3.39Å; G427-I431 WeakPolarHBondContact O-CD1 3.17Å; G427-I431 VanDerWaalsContact O-CG1 3.23Å; G427-I431 WeakPolarHBondContact O-CG1 3.34Å; G427-I431 PolarHBondContact O-N 3.38Å; I431-G433 VanDerWaalsContact C-N 3.32Å; I431-G433 PolarHBondContact O-N 2.98Å; I431-R434 PolarHBondContact O-N 3.36Å; I431-L435 HydrophobicContact CG2-CD1 4.36Å; I431-L435 PolarHBondContact O-N 3.41Å |
| 432 | K | 53 | Low | 50.7 | Low | 152 Ų | 152 | 132.7 Ų | 132.7 | 66% | 0.661 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.1 | -33.2 | 177 | -171.3 | 172.2 | -179.5 | 177.9 | 0 | 112.6 | I428 R429 K436 | I428-K432 VanDerWaalsContact O-CB 3.3Å; I428-K432 WeakPolarHBondContact O-CB 3.38Å; I428-K432 PolarHBondContact O-N 2.89Å; I428-K432 VanDerWaalsContact O-N 3.13Å; R429-K432 PolarHBondContact O-N 3.09Å; K432-K436 PolarHBondContact O-N 3.3Å |
| 433 | G | 50.7 | Low | 49.9 | Very low | 42 Ų | 42 | 136.4 Ų | 136.4 | 43% | 0.433 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -65.6 | -46.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R429 D430 I431 L435 K436 A437 | R429-G433 PolarHBondContact O-N 3.43Å; D430-G433 PolarHBondContact O-N 3.04Å; I431-G433 VanDerWaalsContact C-N 3.32Å; I431-G433 PolarHBondContact O-N 2.98Å; G433-L435 VanDerWaalsContact C-N 3.3Å; G433-L435 PolarHBondContact O-N 3.3Å; G433-K436 PolarHBondContact O-N 3.14Å; G433-A437 PolarHBondContact O-N 2.85Å |
| 434 | R | 53.6 | Low | 48.8 | Very low | 210 Ų | 210 | 132.8 Ų | 132.8 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68 | -22.6 | 177.6 | -80 | -174.2 | 161.6 | -159 | -7.1 | 114.9 | D430 I431 | D430-R434 PolarHBondContact O-N 3.44Å; I431-R434 PolarHBondContact O-N 3.36Å |
| 435 | L | 48.5 | Very low | 47.7 | Very low | 114 Ų | 114 | 138 Ų | 138 | 60% | 0.597 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -74.5 | -42.1 | 171.3 | -99.4 | 155.9 | 0 | 0 | 0 | 112.1 | I431 G433 R438 | I431-L435 HydrophobicContact CG2-CD1 4.36Å; I431-L435 PolarHBondContact O-N 3.41Å; G433-L435 VanDerWaalsContact C-N 3.3Å; G433-L435 PolarHBondContact O-N 3.3Å; L435-R438 PolarHBondContact O-N 2.87Å |
| 436 | K | 48.2 | Very low | 46.6 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -68 | -39 | 175.2 | -86.9 | -158.3 | 159.4 | -134.3 | 0 | 113.3 | K432 G433 R438 E439 | K432-K436 PolarHBondContact O-N 3.3Å; G433-K436 PolarHBondContact O-N 3.14Å; K436-R438 PolarHBondContact O-N 3.5Å; K436-E439 PolarHBondContact O-N 3.11Å |
| 437 | A | 48.4 | Very low | 45.3 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 69% | 0.686 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 27.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | G433 | G433-A437 PolarHBondContact O-N 2.85Š|
| 438 | R | 49.4 | Very low | 44.2 | Very low | 214 Ų | 214 | 145 Ų | 145 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | 3.7 | -177.2 | -110.6 | -73 | -179.6 | 176.6 | -4.2 | 113.1 | L435 K436 | L435-R438 PolarHBondContact O-N 2.87Å; K436-R438 PolarHBondContact O-N 3.5Å |
| 439 | E | 42.9 | Very low | 43.3 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 71% | 0.71 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -110 | -7.2 | -178.9 | -64.1 | 179.6 | 130.5 | 0 | 0 | 112.9 | K436 | K436-E439 PolarHBondContact O-N 3.11Š|
| 440 | D | 43.7 | Very low | 41.9 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -104 | 8.5 | -174.6 | -65.9 | -45.9 | 0 | 0 | 0 | 114.9 | ||
| 441 | E | 48 | Very low | 40.7 | Very low | 187 Ų | 187 | 141.5 Ų | 141.5 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -136.5 | 76.3 | 177 | -76.1 | -166.6 | 130.9 | 0 | 0 | 113 | ||
| 442 | E | 39.3 | Very low | 40.5 | Very low | 199 Ų | 199 | 141.4 Ų | 141.4 | 93% | 0.93 | 76% | 0.759 | S | S | * | * | trans | -177.5 | 102.5 | 141.5 | -107 | -175.3 | 141.1 | 0 | 0 | 110.4 | ||||
| 443 | D | 34.3 | Very low | 39.4 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 94% | 0.941 | 77% | 0.765 | S | S | * | * | trans | -127.5 | 108.6 | 168.9 | -161.1 | -2.1 | 0 | 0 | 0 | 108.6 | ||||
| 444 | G | 30.5 | Very low | 38.4 | Very low | 70 Ų | 70 | 142.7 Ų | 142.7 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -167.1 | 48 | -146.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 445 | M | 27.6 | Very low | 37.3 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | 66.5 | 90.6 | 146.9 | -161.7 | 63.8 | -177.3 | 0 | 0 | 120.8 | ||||
| 446 | T | 30 | Very low | 36.4 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | 56.9 | 129.2 | 142.2 | 64.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 447 | V | 28.9 | Very low | 35.5 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | 174.5 | 158.1 | 109 | 153.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 448 | R | 25.8 | Very low | 34.6 | Very low | 230 Ų | 230 | 143.5 Ų | 143.5 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -92.8 | 180 | -179.4 | -70.7 | 177.2 | 167.3 | -176.7 | -3.3 | 112.4 | ||||
| 449 | P | 40.9 | Very low | 33.7 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | cis | -131.6 | 169.4 | -48.8 | 37.3 | -22.6 | 0 | 0 | 0 | 112.5 | ||||
| 450 | G | 26.6 | Very low | 34.2 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 178.1 | 122.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 451 | S | 28.2 | Very low | 33.6 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -117.2 | 176.7 | 154.4 | -52.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 452 | P | 51 | Low | 32.8 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -143 | -150 | 9 | 34.6 | -8.4 | 0 | 0 | 0 | 114 | ||||
| 453 | T | 30.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | 84 | 125.3 | 165.4 | 71.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 454 | S | 29.6 | Very low | 32.4 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | 84.6 | 135.6 | 65.1 | -160.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 455 | T | 32.2 | Very low | 32.4 | Very low | 124 Ų | 124 | 143 Ų | 143 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | cis | -128.2 | 156.8 | 36.3 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 456 | K | 29.4 | Very low | 32.4 | Very low | 178 Ų | 178 | 143 Ų | 143 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | 49.4 | 140.6 | 62.3 | -69.7 | 179.9 | -177.7 | 176.4 | 0 | 113.2 | |||||
| 457 | S | 29.1 | Very low | 32.5 | Very low | 99 Ų | 99 | 147.5 Ų | 147.5 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | cis | 177.4 | 152.1 | -18.8 | 49.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 458 | L | 28.5 | Very low | 32.6 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -162.3 | 129.8 | 141.9 | -108.2 | 178.5 | 0 | 0 | 0 | 113.4 | ||||
| 459 | S | 31.1 | Very low | 32.7 | Very low | 99 Ų | 99 | 146.7 Ų | 146.7 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -139.8 | -171 | 159.7 | 68 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 460 | P | 54.3 | Low | 32.3 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | cis | -136.7 | 176.7 | -3.9 | 40.9 | -24.5 | 0 | 0 | 0 | 114.3 | ||||
| 461 | R | 30.5 | Very low | 32.6 | Very low | 224 Ų | 224 | 149.2 Ų | 149.2 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 162.1 | 159.5 | 130.5 | -90.1 | 173.4 | 178.4 | -157.5 | 2.8 | 110.6 | ||||
| 462 | R | 31.6 | Very low | 32.7 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 73% | 0.725 | 75% | 0.749 | S | S | * | * | cis | 179.8 | 117.5 | -32.4 | 175.1 | -174.2 | -163.6 | -175.9 | 6.9 | 108.5 | ||||
| 463 | L | 29.5 | Very low | 31.6 | Very low | 172 Ų | 172 | 153.3 Ų | 153.3 | 90% | 0.901 | 76% | 0.755 | S | S | * | * | trans | -156.1 | 159 | 149.5 | -129.3 | 111.4 | 0 | 0 | 0 | 111.1 | ||||
| 464 | Q | 34.6 | Very low | 31.7 | Very low | 166 Ų | 166 | 152.8 Ų | 152.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -124.6 | 171.6 | -177.8 | -58.5 | 173 | -66 | 0 | 0 | 108.3 | ||||
| 465 | K | 30.7 | Very low | 32.8 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | 178.4 | 136.4 | 78.3 | -173.7 | 178.6 | 178.2 | -177.3 | 0 | 112.4 | |||||
| 466 | M | 28.2 | Very low | 32.7 | Very low | 161 Ų | 161 | 155 Ų | 155 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | 67.4 | 138.1 | 157 | -84.4 | 166.2 | 164.6 | 0 | 0 | 119.6 | ||||
| 467 | R | 30.7 | Very low | 32.8 | Very low | 204 Ų | 204 | 151 Ų | 151 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | cis | 67.6 | 142.2 | 27.6 | -94.1 | -164.4 | 175.3 | -172.4 | 2.1 | 114.8 | ||||
| 468 | R | 31.3 | Very low | 32.8 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | cis | -174.1 | 162.3 | -10.9 | -149 | -173.6 | -159.3 | -173.3 | 2.6 | 106.8 | ||||
| 469 | H | 29.3 | Very low | 32.7 | Very low | 184 Ų | 184 | 147.6 Ų | 147.6 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | trans | -160.3 | 169.9 | 145.7 | -119.8 | -81.3 | 0 | 0 | 0 | 113.6 | ||||
| 470 | N | 30.9 | Very low | 33.4 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | trans | -147.2 | 161 | -166.1 | -71.4 | 96.9 | 0 | 0 | 0 | 109.7 | ||||
| 471 | L | 34.7 | Very low | 32.3 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | cis | -136.4 | -117.5 | 1.5 | -132 | 166.7 | 0 | 0 | 0 | 111.3 | ||||
| 472 | N | 29 | Very low | 32.2 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | cis | -164.1 | 157.9 | -4.1 | -152.7 | -4.2 | 0 | 0 | 0 | 113.7 | ||||
| 473 | K | 29 | Very low | 32.2 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | 68 | 138.2 | 163.4 | -65.5 | -174.5 | 177.6 | -177.1 | 0 | 122.5 | ||||
| 474 | S | 32.6 | Very low | 32.2 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -112.9 | -164.2 | 173.2 | -32.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 475 | P | 50.8 | Low | 32.1 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | cis | -112.4 | -159 | 21.3 | 28.9 | -5.2 | 0 | 0 | 0 | 112.1 | ||||
| 476 | M | 30.9 | Very low | 32.1 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | cis | -124.2 | -178.1 | 8.6 | -76.6 | -96.2 | 82.4 | 0 | 0 | 109.9 | ||||
| 477 | S | 30.5 | Very low | 32.5 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | cis | 69 | 139.4 | 31.7 | -72.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 478 | V | 29.7 | Very low | 32.6 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | cis | -146.2 | 173.3 | -8.2 | -100.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 479 | G | 26.8 | Very low | 32.8 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | cis | 102.4 | 155.1 | 9.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 480 | P | 45.6 | Very low | 33.2 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | -137.6 | 162.4 | -0.5 | 42.9 | -26.6 | 0 | 0 | 0 | 117.1 | ||||
| 481 | R | 32.3 | Very low | 33.5 | Very low | 230 Ų | 230 | 136.9 Ų | 136.9 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | trans | 58.3 | 161.7 | 139.9 | -68.2 | 178.1 | -167.8 | -178.6 | 2.4 | 119.7 | ||||
| 482 | D | 28.4 | Very low | 33.5 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | cis | -151.8 | -170.5 | 23.9 | -139.2 | -3.2 | 0 | 0 | 0 | 116 | ||||
| 483 | L | 31.3 | Very low | 33.9 | Very low | 143 Ų | 143 | 137 Ų | 137 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -48.5 | 164.5 | 175.9 | -57.2 | 150.4 | 0 | 0 | 0 | 116.3 | ||||
| 484 | G | 29.2 | Very low | 34 | Very low | 63 Ų | 63 | 133.7 Ų | 133.7 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | cis | 156.8 | 174.2 | -3.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 485 | Y | 31.6 | Very low | 33.8 | Very low | 232 Ų | 232 | 132.6 Ų | 132.6 | 91% | 0.91 | 75% | 0.753 | S | S | * | * | trans | 71.2 | 161.2 | 167 | -61.2 | -81.5 | 0 | 0 | 0 | 121 | ||||
| 486 | G | 31.6 | Very low | 32.9 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 86.5 | 118.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 487 | L | 35.6 | Very low | 33.1 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | cis | 67.5 | 134.5 | 15.3 | -75.2 | -176.4 | 0 | 0 | 0 | 117.1 | ||||
| 488 | D | 33.3 | Very low | 33.1 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 65.2 | 149 | 163.2 | -42.8 | -24.1 | 0 | 0 | 0 | 116.6 | ||||
| 489 | D | 35.5 | Very low | 33.1 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | cis | -153.7 | 176.7 | -36.9 | -135.9 | -15.1 | 0 | 0 | 0 | 109.2 | ||||
| 490 | D | 37.9 | Very low | 33.6 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | 9.8 | 166.2 | 160.9 | -83.8 | -32.2 | 0 | 0 | 0 | 126.3 | ||||
| 491 | E | 36.7 | Very low | 33 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 93 | 90.8 | 148.1 | -149.3 | 155.5 | -148.9 | 0 | 0 | 122.4 | ||||
| 492 | L | 36.1 | Very low | 32.9 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | 45.2 | 129.5 | 125.6 | -63.1 | 172.5 | 0 | 0 | 0 | 124.5 | |||||
| 493 | D | 35.9 | Very low | 33.4 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 101.1 | 145.2 | 123.1 | -102.8 | -42 | 0 | 0 | 0 | 125.8 | |||||
| 494 | T | 32 | Very low | 33.3 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 59.8 | 120.7 | 159.1 | 41.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 495 | A | 28.6 | Very low | 33.6 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 60.4 | 138.9 | 136 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 496 | S | 32.2 | Very low | 33.4 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | -161.4 | 168.1 | 50.6 | -65.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 497 | K | 35 | Very low | 33.5 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -72.6 | 149.9 | 163.8 | -50.1 | 164.8 | -175.8 | 173.1 | 0 | 110 | ||||
| 498 | I | 30.6 | Very low | 33 | Very low | 160 Ų | 160 | 141 Ų | 141 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | 170.5 | 146.4 | 106 | 53 | 170.1 | 0 | 0 | 0 | 112.5 | |||||
| 499 | S | 29.7 | Very low | 32.8 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 51.1 | 165.2 | 159.5 | -68 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 500 | S | 36.4 | Very low | 32.6 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | cis | -128.9 | 144.8 | -6.6 | 55 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 501 | E | 33 | Very low | 32.2 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | 53.5 | 98.4 | 67.8 | -64.3 | -174.9 | 141.7 | 0 | 0 | 113.9 | |||||
| 502 | D | 29.8 | Very low | 32 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -148.8 | 162 | 133.1 | -162 | 8.2 | 0 | 0 | 0 | 108.9 | ||||
| 503 | S | 39.5 | Very low | 32.1 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -116.9 | 158.6 | -161.9 | -59.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 504 | G | 28.7 | Very low | 32.4 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -173.9 | 87.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 505 | E | 35.1 | Very low | 32.6 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -73.6 | 127.4 | 164.4 | -70.2 | -170.9 | 110 | 0 | 0 | 110.6 | ||||
| 506 | V | 29.1 | Very low | 33 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -139.4 | 125.9 | 155.9 | 180 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 507 | R | 32.7 | Very low | 33 | Very low | 216 Ų | 216 | 147 Ų | 147 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | trans | -93.2 | 140.3 | 159.1 | -83.3 | 179 | 164.6 | -177.9 | -4.6 | 109 | ||||
| 508 | S | 26.3 | Very low | 32.8 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -144.5 | 117.6 | 161.7 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 509 | Y | 28.9 | Very low | 32.7 | Very low | 187 Ų | 187 | 145 Ų | 145 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | trans | -69.4 | 172.8 | 148 | -44.8 | -101.8 | 0 | 0 | 0 | 107.6 | ||||
| 510 | T | 31 | Very low | 32.8 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | cis | -156.5 | 157.4 | 13.7 | 31.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 511 | E | 29 | Very low | 32.6 | Very low | 199 Ų | 199 | 150 Ų | 150 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -158.4 | 69.9 | 146.8 | -125.3 | 169.1 | -146.1 | 0 | 0 | 111.8 | ||||
| 512 | D | 32.8 | Very low | 32.5 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -99 | 154.9 | 154.3 | -70.3 | -65.2 | 0 | 0 | 0 | 107.8 | ||||
| 513 | S | 38 | Very low | 32.5 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -146.4 | 136 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 514 | D | 42.7 | Very low | 31.9 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | -62 | 171.6 | 172.5 | -57.8 | -63.4 | 0 | 0 | 0 | 112.5 | ||||
| 515 | D | 36.4 | Very low | 32.4 | Very low | 147 Ų | 147 | 151.2 Ų | 151.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | cis | -153.4 | 168.7 | 34 | -164.3 | 48.9 | 0 | 0 | 0 | 109 | ||||
| 516 | S | 36.2 | Very low | 32 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | cis | -148.1 | 169.1 | 21.6 | -42.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 517 | D | 31.3 | Very low | 32.3 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -100.7 | 150.2 | 172.8 | -177.7 | 24.8 | 0 | 0 | 0 | 113 | ||||
| 518 | S | 32.2 | Very low | 32.2 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -159.5 | 149.5 | 166.4 | 65.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 519 | F | 27.8 | Very low | 33 | Very low | 201 Ų | 201 | 142 Ų | 142 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -71 | 152.6 | -160.7 | -81.9 | -117.6 | 0 | 0 | 0 | 117.3 | ||||
| 520 | Y | 31.3 | Very low | 33.4 | Very low | 197 Ų | 197 | 140.6 Ų | 140.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -51.5 | 150.8 | 163.2 | -100.3 | -98.9 | 0 | 0 | 0 | 113.9 | ||||
| 521 | P | 32.4 | Very low | 33.9 | Very low | 114 Ų | 114 | 141.7 Ų | 141.7 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | -139.1 | 162.7 | 92.6 | 39.1 | -27.2 | 0 | 0 | 0 | 115.6 | |||||
| 522 | D | 31.8 | Very low | 34.7 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | -68.5 | 131.5 | -179.2 | -54.4 | -79.3 | 0 | 0 | 0 | 114.2 | ||||
| 523 | I | 29.3 | Very low | 35.6 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -141.6 | 114.4 | 155.9 | -55.6 | -178.7 | 0 | 0 | 0 | 110.4 | ||||
| 524 | D | 25.8 | Very low | 36 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | trans | -111.4 | 159.3 | 149.2 | -117.7 | -29.7 | 0 | 0 | 0 | 105.8 | ||||
| 525 | P | 39.6 | Very low | 36.3 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | cis | -141.3 | -172.1 | 22 | 43.4 | -24.9 | 0 | 0 | 0 | 116.7 | ||||
| 526 | S | 27.6 | Very low | 36.9 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | trans | 111.9 | 145.1 | 148.5 | 79.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 527 | P | 35.8 | Very low | 38.4 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 84% | 0.838 | 69% | 0.693 | S | S | * | * | trans | -92.7 | 127.1 | -153.4 | 34.2 | -33.9 | 0 | 0 | 0 | 114 | ||||
| 528 | S | 30.7 | Very low | 39.4 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 78% | 0.776 | 67% | 0.672 | S | S | * | * | trans | -76.4 | 137.3 | 158.5 | 49.9 | 0 | 0 | 0 | 0 | 110.1 | Q530 | S528-Q530 PolarHBondContact O-N 3.27Š| ||
| 529 | S | 41.2 | Very low | 39.8 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | trans | -63.7 | 109.7 | 178.9 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | M531 | S529-M531 PolarHBondContact O-N 3.39Š| ||
| 530 | Q | 38.6 | Very low | 40.6 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 74% | 0.743 | 65% | 0.654 | S | S | * | * | trans | -83.5 | 102.5 | 175.5 | -172.2 | 168.8 | 9 | 0 | 0 | 108.7 | S528 N532 | S528-Q530 PolarHBondContact O-N 3.27Å; Q530-N532 PolarHBondContact O-N 3.3Å; Q530-N532 VanDerWaalsContact O-N 3.07Å | ||
| 531 | M | 41 | Very low | 41.1 | Very low | 145 Ų | 145 | 114 Ų | 114 | 71% | 0.714 | 64% | 0.642 | S | S | * | * | trans | -68.5 | 107.7 | -177.6 | -57.1 | -163.7 | -49.4 | 0 | 0 | 110.5 | S529 L533 | S529-M531 PolarHBondContact O-N 3.39Å; M531-L533 PolarHBondContact O-N 2.92Å | ||
| 532 | N | 46.1 | Very low | 41.3 | Very low | 92 Ų | 92 | 112.3 Ų | 112.3 | 49% | 0.492 | 63% | 0.63 | S | S | . | * | trans | -74 | 77.3 | 175.8 | -74.7 | -18.5 | 0 | 0 | 0 | 110.2 | Q530 L534 E535 E536 | Q530-N532 PolarHBondContact O-N 3.3Å; Q530-N532 VanDerWaalsContact O-N 3.07Å; N532-L534 PolarHBondContact O-N 2.88Å; N532-E535 HydrophobicContact CB-CB 3.64Å; N532-E535 VanDerWaalsContact CB-OE2 3.3Å; N532-E535 WeakPolarHBondContact CB-OE2 3.33Å; N532-E535 PolarHBondContact ND2-OE2 2.95Å; N532-E535 WeakPolarHBondContact O-CA 3.49Å; N532-E535 WeakPolarHBondContact O-CB 3.22Å; N532-E535 PolarHBondContact O-N 3.13Å; N532-E536 PolarHBondContact O-N 3.3Å | ||
| 533 | L | 51.1 | Low | 41.6 | Very low | 106 Ų | 106 | 109.5 Ų | 109.5 | 56% | 0.555 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -54.9 | -28.9 | -176.7 | -151.7 | 79.3 | 0 | 0 | 0 | 113.4 | M531 I537 | M531-L533 PolarHBondContact O-N 2.92Å; L533-I537 WeakPolarHBondContact O-CB 3.37Å; L533-I537 VanDerWaalsContact O-CD1 3.31Å; L533-I537 WeakPolarHBondContact O-CD1 3.41Å; L533-I537 WeakPolarHBondContact O-CG1 3.26Å; L533-I537 PolarHBondContact O-N 3.04Å; L533-I537 VanDerWaalsContact O-N 3.12Å |
| 534 | L | 47.8 | Very low | 41.8 | Very low | 91 Ų | 91 | 106.9 Ų | 106.9 | 48% | 0.476 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.5 | -34.5 | 174.2 | -68.3 | 173.7 | 0 | 0 | 0 | 112.9 | N532 L538 | N532-L534 PolarHBondContact O-N 2.88Å; L534-L538 WeakPolarHBondContact O-CB 3.39Å; L534-L538 WeakPolarHBondContact O-CD1 3.38Å; L534-L538 WeakPolarHBondContact O-CG 3.35Å; L534-L538 PolarHBondContact O-N 2.85Å |
| 535 | E | 47.5 | Very low | 42.2 | Very low | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.7 | -42 | 177.2 | -163.8 | 165.1 | -147.9 | 0 | 0 | 109.8 | N532 I537 L538 D539 | N532-E535 HydrophobicContact CB-CB 3.64Å; N532-E535 VanDerWaalsContact CB-OE2 3.3Å; N532-E535 WeakPolarHBondContact CB-OE2 3.33Å; N532-E535 PolarHBondContact ND2-OE2 2.95Å; N532-E535 WeakPolarHBondContact O-CA 3.49Å; N532-E535 WeakPolarHBondContact O-CB 3.22Å; N532-E535 PolarHBondContact O-N 3.13Å; E535-I537 PolarHBondContact O-N 3.36Å; E535-L538 PolarHBondContact O-N 3.29Å; E535-L538 VanDerWaalsContact O-N 3.13Å; E535-D539 PolarHBondContact O-N 3Å |
| 536 | E | 50.2 | Low | 41.6 | Very low | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.4 | -38.7 | 173.3 | -172 | 175.3 | -160.4 | 0 | 0 | 113 | N532 S540 | N532-E536 PolarHBondContact O-N 3.3Å; E536-S540 WeakPolarHBondContact O-CB 3.49Å; E536-S540 PolarHBondContact O-N 2.99Å; E536-S540 VanDerWaalsContact O-N 3.12Å; E536-S540 PolarHBondContact O-OG 3Å |
| 537 | I | 66.9 | Low | 41.8 | Very low | 63 Ų | 63 | 107.9 Ų | 107.9 | 32% | 0.323 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.6 | -36.3 | 172.4 | -72 | 166.4 | 0 | 0 | 0 | 111.5 | P165 L533 E535 L541 | P165-I537 HydrophobicContact CB-CG2 4.46Å; L533-I537 WeakPolarHBondContact O-CB 3.37Å; L533-I537 VanDerWaalsContact O-CD1 3.31Å; L533-I537 WeakPolarHBondContact O-CD1 3.41Å; L533-I537 WeakPolarHBondContact O-CG1 3.26Å; L533-I537 PolarHBondContact O-N 3.04Å; L533-I537 VanDerWaalsContact O-N 3.12Å; E535-I537 PolarHBondContact O-N 3.36Å; I537-L541 HydrophobicContact CG2-CD1 4.14Å; I537-L541 WeakPolarHBondContact O-CD1 3.2Å; I537-L541 VanDerWaalsContact O-CG 3.29Å; I537-L541 WeakPolarHBondContact O-CG 3.27Å; I537-L541 PolarHBondContact O-N 3.45Å |
| 538 | L | 52.1 | Low | 41.7 | Very low | 62 Ų | 62 | 110.7 Ų | 110.7 | 33% | 0.325 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.1 | -42.9 | 178.5 | -75.3 | 165.6 | 0 | 0 | 0 | 112.1 | V175 L534 E535 S540 L541 T542 | V175-L538 HydrophobicContact CG1-CD1 3.94Å; V175-L538 HydrophobicContact CG2-CD1 4.32Å; L534-L538 WeakPolarHBondContact O-CB 3.39Å; L534-L538 WeakPolarHBondContact O-CD1 3.38Å; L534-L538 WeakPolarHBondContact O-CG 3.35Å; L534-L538 PolarHBondContact O-N 2.85Å; E535-L538 PolarHBondContact O-N 3.29Å; E535-L538 VanDerWaalsContact O-N 3.13Å; L538-S540 VanDerWaalsContact C-N 3.27Å; L538-S540 PolarHBondContact O-N 3.35Å; L538-L541 CarbonylContact O-C 3.58Å; L538-L541 WeakPolarHBondContact O-CA 3.43Å; L538-L541 WeakPolarHBondContact O-CB 3.19Å; L538-L541 PolarHBondContact O-N 3.38Å; L538-T542 PolarHBondContact O-N 3.49Å; L538-T542 PolarHBondContact O-OG1 3.07Å |
| 539 | D | 40.6 | Very low | 41.7 | Very low | 114 Ų | 114 | 108.9 Ų | 108.9 | 61% | 0.61 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.1 | -40.7 | 172.9 | -88.5 | 2.5 | 0 | 0 | 0 | 111 | E535 L541 T542 | E535-D539 PolarHBondContact O-N 3Å; D539-L541 PolarHBondContact O-N 3.29Å; D539-T542 WeakPolarHBondContact CA-OG1 3.48Å; D539-T542 PolarHBondContact O-N 3.16Å; D539-T542 VanDerWaalsContact O-N 3.14Å; D539-T542 PolarHBondContact O-OG1 2.89Å |
| 540 | S | 44.2 | Very low | 41.2 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -19.2 | 173.7 | -60.3 | 0 | 0 | 0 | 0 | 114 | E536 L538 | E536-S540 WeakPolarHBondContact O-CB 3.49Å; E536-S540 PolarHBondContact O-N 2.99Å; E536-S540 VanDerWaalsContact O-N 3.12Å; E536-S540 PolarHBondContact O-OG 3Å; L538-S540 VanDerWaalsContact C-N 3.27Å; L538-S540 PolarHBondContact O-N 3.35Å |
| 541 | L | 43.7 | Very low | 40.8 | Very low | 102 Ų | 102 | 114.5 Ų | 114.5 | 53% | 0.534 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.5 | -14.3 | 176 | -70.8 | 167.5 | 0 | 0 | 0 | 112.9 | I537 L538 D539 T543 | I537-L541 HydrophobicContact CG2-CD1 4.14Å; I537-L541 WeakPolarHBondContact O-CD1 3.2Å; I537-L541 VanDerWaalsContact O-CG 3.29Å; I537-L541 WeakPolarHBondContact O-CG 3.27Å; I537-L541 PolarHBondContact O-N 3.45Å; L538-L541 CarbonylContact O-C 3.58Å; L538-L541 WeakPolarHBondContact O-CA 3.43Å; L538-L541 WeakPolarHBondContact O-CB 3.19Å; L538-L541 PolarHBondContact O-N 3.38Å; D539-L541 PolarHBondContact O-N 3.29Å; L541-T543 PolarHBondContact O-N 3.43Å |
| 542 | T | 36.4 | Very low | 40.2 | Very low | 79 Ų | 79 | 113.6 Ų | 113.6 | 49% | 0.485 | 63% | 0.634 | S | S | . | * | trans | -93.5 | 88.9 | 172 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | L538 D539 T544 | L538-T542 PolarHBondContact O-N 3.49Å; L538-T542 PolarHBondContact O-OG1 3.07Å; D539-T542 WeakPolarHBondContact CA-OG1 3.48Å; D539-T542 PolarHBondContact O-N 3.16Å; D539-T542 VanDerWaalsContact O-N 3.14Å; D539-T542 PolarHBondContact O-OG1 2.89Å; T542-T544 PolarHBondContact O-N 3.34Å | ||
| 543 | T | 37 | Very low | 39.5 | Very low | 81 Ų | 81 | 113.6 Ų | 113.6 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | trans | -74.2 | 63.8 | 177.2 | 46.8 | 0 | 0 | 0 | 0 | 113.1 | L541 T545 | L541-T543 PolarHBondContact O-N 3.43Å; T543-T545 PolarHBondContact O-N 3.15Å | ||
| 544 | T | 33 | Very low | 38.5 | Very low | 110 Ų | 110 | 113.1 Ų | 113.1 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | trans | -79.9 | 91.5 | 166.3 | 49.7 | 0 | 0 | 0 | 0 | 110 | T542 T546 | T542-T544 PolarHBondContact O-N 3.34Å; T544-T546 PolarHBondContact O-N 3.47Å | ||
| 545 | T | 34.1 | Very low | 37.7 | Very low | 106 Ų | 106 | 118 Ų | 118 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | trans | -63.4 | 90.9 | 176 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | Q89 T543 | Q89-T545 PolarHBondContact NE2-OG1 3.34Å; T543-T545 PolarHBondContact O-N 3.15Å | ||
| 546 | T | 28 | Very low | 36.8 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 83% | 0.828 | 69% | 0.687 | S | S | * | * | trans | -97.6 | 101.9 | 168.9 | -53.3 | 0 | 0 | 0 | 0 | 108.3 | T544 | T544-T546 PolarHBondContact O-N 3.47Š| ||
| 547 | D | 31.5 | Very low | 35.8 | Very low | 144 Ų | 144 | 118.7 Ų | 118.7 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | -91.9 | 116.1 | -172.5 | -164.6 | 2.7 | 0 | 0 | 0 | 111.3 | ||||
| 548 | Q | 34 | Very low | 34.1 | Very low | 188 Ų | 188 | 123.6 Ų | 123.6 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | trans | 166.2 | 126.1 | 133.7 | -92.5 | 175.6 | 38.5 | 0 | 0 | 113.1 | ||||
| 549 | G | 31.7 | Very low | 33 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | 117.4 | 106.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 550 | K | 30 | Very low | 32.5 | Very low | 211 Ų | 211 | 132.2 Ų | 132.2 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | trans | 67 | 102.5 | 162 | -63 | -179.9 | 179.1 | 175.2 | 0 | 117.6 | ||||
| 551 | L | 30.9 | Very low | 31.8 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | trans | -62 | 143.4 | 164.2 | -59.6 | 169.3 | 0 | 0 | 0 | 112.1 | ||||
| 552 | S | 28.6 | Very low | 31.2 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -133.3 | 146.6 | 159.1 | -171.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 553 | A | 30.6 | Very low | 31 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -109.6 | 123.7 | -159.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 554 | A | 29 | Very low | 30.7 | Very low | 96 Ų | 96 | 146.2 Ų | 146.2 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -123.7 | 120.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 555 | K | 31.1 | Very low | 30.6 | Very low | 193 Ų | 193 | 148.8 Ų | 148.8 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | 74 | 100.3 | 51.7 | -71.5 | -167.3 | 171.1 | -178.3 | 0 | 114.5 | |||||
| 556 | S | 28.3 | Very low | 30.4 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | 74.8 | 145.3 | 148 | -105.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 557 | L | 31.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 153 Ų | 153 | 68% | 0.681 | 83% | 0.826 | S | S | * | * | cis | -130.3 | 125.6 | 7.3 | -76.8 | 161.8 | 0 | 0 | 0 | 112.2 | F559 | L557-F559 HydrophobicContact CD2-CD2 3.81Å; L557-F559 HydrophobicContact CD2-CE2 3.95Å | ||
| 558 | D | 29.8 | Very low | 30.3 | Very low | 166 Ų | 166 | 152.7 Ų | 152.7 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -92.3 | 133.2 | 148.2 | -81.9 | -60.9 | 0 | 0 | 0 | 108.8 | ||||
| 559 | F | 28.7 | Very low | 30 | Very low | 163 Ų | 163 | 155 Ų | 155 | 72% | 0.715 | 83% | 0.827 | S | S | * | * | trans | -149.6 | 95 | 174.3 | -115 | -93.2 | 0 | 0 | 0 | 110.3 | L557 | L557-F559 HydrophobicContact CD2-CD2 3.81Å; L557-F559 HydrophobicContact CD2-CE2 3.95Å | ||
| 560 | F | 30.1 | Very low | 29.8 | Very low | 194 Ų | 194 | 160 Ų | 160 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | 175 | 143.7 | 125.2 | -98.9 | -68.2 | 0 | 0 | 0 | 110.9 | |||||
| 561 | R | 30.7 | Very low | 29.6 | Very low | 247 Ų | 247 | 156 Ų | 156 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | 73 | 143.9 | -164.6 | -50.8 | -179.5 | 179 | -138.2 | 0.5 | 113.6 | ||||
| 562 | S | 30.4 | Very low | 29.3 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | cis | -107.6 | 145.6 | -7.5 | -149.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 563 | L | 32.4 | Very low | 29 | Very low | 148 Ų | 148 | 155.6 Ų | 155.6 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -79 | 156.6 | 147.8 | -153.5 | 77.4 | 0 | 0 | 0 | 107.3 | ||||
| 564 | D | 31.3 | Very low | 28.8 | Very low | 137 Ų | 137 | 160.7 Ų | 160.7 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | trans | 125 | 141.8 | 162.4 | -60.5 | -16 | 0 | 0 | 0 | 113.6 | ||||
| 565 | D | 30.7 | Very low | 29 | Very low | 164 Ų | 164 | 161.8 Ų | 161.8 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | 51.5 | 94.2 | 173.1 | -59.8 | -9.4 | 0 | 0 | 0 | 119 | ||||
| 566 | L | 29.8 | Very low | 28.6 | Very low | 169 Ų | 169 | 157.5 Ų | 157.5 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -138.1 | 92.6 | 157.2 | -151.9 | -175.1 | 0 | 0 | 0 | 109.1 | ||||
| 567 | D | 28.9 | Very low | 29.2 | Very low | 159 Ų | 159 | 157.9 Ų | 157.9 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -121.4 | 142.3 | 173.1 | -101.8 | -33.3 | 0 | 0 | 0 | 111.2 | ||||
| 568 | D | 28.8 | Very low | 28.8 | Very low | 139 Ų | 139 | 156.9 Ų | 156.9 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | 1.2 | 127 | 176.6 | -91.1 | -36.2 | 0 | 0 | 0 | 121.2 | ||||
| 569 | Y | 28 | Very low | 28.7 | Very low | 236 Ų | 236 | 154.4 Ų | 154.4 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | -155.7 | 89.2 | 126.5 | -108.4 | -66.3 | 0 | 0 | 0 | 115.7 | |||||
| 570 | K | 25.6 | Very low | 28.6 | Very low | 179 Ų | 179 | 155.4 Ų | 155.4 | 78% | 0.778 | 82% | 0.815 | S | S | * | * | trans | 4 | 109.1 | 148.4 | -161.8 | 174.8 | -170.4 | 170.8 | 0 | 122.5 | ||||
| 571 | V | 26.1 | Very low | 28.5 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | 41.6 | 141.4 | 129.2 | -157.9 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 572 | Q | 24.3 | Very low | 28.4 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | 120.2 | 148 | 152.6 | -67.6 | -167.4 | 14.9 | 0 | 0 | 114.6 | ||||
| 573 | S | 22.7 | Very low | 28.2 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | cis | -147.8 | 177.4 | 2.8 | 60 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 574 | K | 27.6 | Very low | 28 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -147.6 | 135.8 | 171.6 | -160.3 | -175.7 | -171.3 | -175.4 | 0 | 109.9 | ||||
| 575 | P | 31.6 | Very low | 27.8 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -92.1 | 162.9 | 178.5 | 33.7 | -32.9 | 0 | 0 | 0 | 115.2 | ||||
| 576 | S | 23.3 | Very low | 27.5 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -67.8 | -174.1 | 178.2 | 44.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 577 | P | 40.6 | Very low | 27.4 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -135.9 | -173 | 12 | 42.7 | -24 | 0 | 0 | 0 | 116 | ||||
| 578 | C | 23.9 | Very low | 27.4 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | cis | -174.6 | 134.6 | -37.3 | -88.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 579 | S | 27.8 | Very low | 27.3 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | 177.5 | 142.8 | 135.9 | 53.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 580 | H | 25.5 | Very low | 27.5 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | -22.8 | 159.1 | 161 | -52.2 | -87.4 | 0 | 0 | 0 | 119 | ||||
| 581 | S | 28.6 | Very low | 27.9 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -157.5 | 141.8 | 16.2 | 48.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 582 | A | 28.9 | Very low | 28 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 29.4 | 120 | 135.9 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 583 | A | 26.5 | Very low | 28.2 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 80.9 | 139.1 | 116.6 | 0 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 584 | A | 28.4 | Very low | 28.9 | Very low | 86 Ų | 86 | 122.3 Ų | 122.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 93.6 | 125.6 | 142.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 585 | D | 25.8 | Very low | 29.3 | Very low | 154 Ų | 154 | 121.3 Ų | 121.3 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 60.8 | 105.7 | 134 | -55.4 | -4.5 | 0 | 0 | 0 | 124.3 | ||||
| 586 | D | 25.7 | Very low | 29.3 | Very low | 153 Ų | 153 | 119.3 Ų | 119.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | 70.7 | 161.2 | 107.9 | -154.1 | 24.9 | 0 | 0 | 0 | 123.3 | |||||
| 587 | S | 27.5 | Very low | 29.6 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | trans | 84.1 | 89.4 | 157.9 | 71.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 588 | S | 28 | Very low | 28.9 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | 58.6 | 143.6 | 115.4 | 69.9 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 589 | F | 27.3 | Very low | 29.6 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | 101.2 | 99.6 | 137.8 | -113.8 | -108 | 0 | 0 | 0 | 122.8 | ||||
| 590 | D | 32.8 | Very low | 30 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | 78.2 | 151.3 | 119.1 | -163 | 40.5 | 0 | 0 | 0 | 124.7 | |||||
| 591 | G | 32.6 | Very low | 30.2 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 125.9 | 94 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 592 | G | 28 | Very low | 30.4 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | -163.3 | 15.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 593 | A | 28.9 | Very low | 30.4 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | trans | 69.5 | 169.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 594 | D | 38 | Very low | 30.8 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -152.3 | 162.5 | -159.7 | 174 | 41 | 0 | 0 | 0 | 112.7 | ||||
| 595 | H | 35.2 | Very low | 31.3 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | trans | 153.9 | 140.9 | 131.7 | -82.1 | -24.9 | 0 | 0 | 0 | 116.7 | ||||
| 596 | G | 32.4 | Very low | 31.7 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 113.9 | 72.1 | 130.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 597 | G | 28.9 | Very low | 32 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -92.5 | -179.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 598 | W | 27.1 | Very low | 32.3 | Very low | 266 Ų | 266 | 134.3 Ų | 134.3 | 100% | 1.008 | 80% | 0.803 | S | S | * | * | trans | -147.6 | 169.5 | 166.2 | -88.7 | 92 | 0 | 0 | 0 | 110.3 | ||||
| 599 | N | 38.3 | Very low | 32.4 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | -153.4 | 165 | -161.8 | -156.6 | -2.1 | 0 | 0 | 0 | 115.6 | ||||
| 600 | M | 36.5 | Very low | 32.6 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 85.6 | 145.5 | 162.4 | -82.7 | -66.3 | 175.7 | 0 | 0 | 123.9 | ||||
| 601 | G | 28.9 | Very low | 32.7 | Very low | 65 Ų | 65 | 135.3 Ų | 135.3 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | 121 | 77 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 602 | Q | 33 | Very low | 32.7 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | 55.6 | 114.2 | 92.3 | -70.3 | -167.1 | -84.7 | 0 | 0 | 117.6 | |||||
| 603 | D | 28.3 | Very low | 33.3 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | -164.8 | 175.4 | 97.4 | -144.3 | -15.9 | 0 | 0 | 0 | 111.7 | |||||
| 604 | D | 35.6 | Very low | 33.9 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -121.8 | 148.1 | -159.5 | -134.9 | -30.4 | 0 | 0 | 0 | 115.9 | ||||
| 605 | S | 37.5 | Very low | 33.5 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | 163.4 | 126.3 | 143.7 | -80.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 606 | A | 34.5 | Very low | 33.8 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 64.7 | 133.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 607 | V | 33.1 | Very low | 33.8 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | cis | -151.3 | 142.7 | -13.9 | -162.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 608 | H | 33.5 | Very low | 33.9 | Very low | 190 Ų | 190 | 154.8 Ų | 154.8 | 88% | 0.88 | 83% | 0.827 | S | S | * | * | trans | -11.7 | 146.5 | 162.5 | -50.9 | 76.3 | 0 | 0 | 0 | 122.1 | ||||
| 609 | G | 29.6 | Very low | 34 | Very low | 73 Ų | 73 | 149.5 Ų | 149.5 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | 147.9 | 93.1 | 129.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 610 | K | 32.4 | Very low | 33.7 | Very low | 208 Ų | 208 | 148.5 Ų | 148.5 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | trans | 42.3 | 116.1 | 142.3 | -61.4 | -178.8 | -178.4 | 178.7 | 0 | 122 | ||||
| 611 | H | 34 | Very low | 33.1 | Very low | 188 Ų | 188 | 147 Ų | 147 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | 53.7 | 110 | 127.9 | -147.1 | -54.7 | 0 | 0 | 0 | 120 | |||||
| 612 | L | 32.4 | Very low | 33.1 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 155 | 171.5 | -69.3 | 171.1 | 0 | 0 | 0 | 113 | ||
| 613 | P | 40 | Very low | 32.7 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 157.8 | -168.2 | 36.6 | -36.6 | 0 | 0 | 0 | 115.4 | ||
| 614 | P | 41.5 | Very low | 32.7 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 161.7 | 174.8 | 36.5 | -36 | 0 | 0 | 0 | 114.1 | ||
| 615 | S | 31.2 | Very low | 32.4 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 147.2 | -178.2 | -49.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 616 | P | 41.7 | Very low | 32 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 139 | -168 | -15.9 | 32.1 | 0 | 0 | 0 | 115.1 | ||
| 617 | R | 31.2 | Very low | 31.6 | Very low | 244 Ų | 244 | 155.5 Ų | 155.5 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -109.1 | 124.9 | 171.1 | -133.7 | -176.9 | -171.3 | -172.5 | 4.4 | 110.2 | ||||
| 618 | R | 30.6 | Very low | 31.4 | Very low | 240 Ų | 240 | 154.2 Ų | 154.2 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -135.5 | 114.5 | 158.1 | -77.1 | -171.6 | 173.1 | -172.8 | -1.6 | 108.3 | ||||
| 619 | Q | 29.6 | Very low | 31.1 | Very low | 155 Ų | 155 | 148 Ų | 148 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | 70.1 | 84.8 | 70.6 | -72.9 | -80.6 | -0.7 | 0 | 0 | 112.9 | |||||
| 620 | P | 32 | Very low | 31.1 | Very low | 125 Ų | 125 | 152 Ų | 152 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -84.9 | 129.2 | 161 | 33.5 | -29.2 | 0 | 0 | 0 | 109.8 | ||||
| 621 | N | 25.2 | Very low | 30.9 | Very low | 133 Ų | 133 | 149.3 Ų | 149.3 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -140.5 | 145.7 | 176.7 | -134.8 | -16.2 | 0 | 0 | 0 | 114.5 | ||||
| 622 | K | 27.4 | Very low | 30.8 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -56.2 | 162 | -179.5 | -55.3 | 133.5 | -176.6 | 177.2 | 0 | 110.9 | ||||
| 623 | S | 24.9 | Very low | 30.6 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | cis | -170.5 | 130.8 | 41.5 | 42.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 624 | S | 28.2 | Very low | 30.1 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | 65.5 | 132.4 | 75.1 | 81.8 | 0 | 0 | 0 | 0 | 117 | |||||
| 625 | L | 30.5 | Very low | 29.6 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | trans | -177.5 | 123 | 132.3 | -121.3 | 67.7 | 0 | 0 | 0 | 115.4 | ||||
| 626 | K | 27.6 | Very low | 29.5 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | trans | 58.9 | 140.4 | 149.2 | -64.8 | 159.7 | -170.7 | 168.9 | 0 | 118.6 | ||||
| 627 | R | 26.1 | Very low | 28.9 | Very low | 237 Ų | 237 | 144.1 Ų | 144.1 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | cis | -160.6 | 171 | 8.5 | -134.2 | -172.1 | 171.2 | 163 | -2.7 | 106.7 | ||||
| 628 | S | 29 | Very low | 28.7 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | cis | -159.5 | 162.2 | -3.9 | -154.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 629 | G | 27.4 | Very low | 29.4 | Very low | 60 Ų | 60 | 132.2 Ų | 132.2 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | cis | 119.5 | 124 | -1.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 630 | N | 30 | Very low | 29.1 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 86.1 | 137.8 | 179 | -68.6 | 19 | 0 | 0 | 0 | 116.8 | ||||
| 631 | L | 28.9 | Very low | 28.9 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | cis | -132.3 | 137.5 | -2.4 | -89.3 | 122.6 | 0 | 0 | 0 | 108.9 | ||||
| 632 | A | 31.1 | Very low | 29 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | 65.9 | 141.6 | 87.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 633 | A | 29.5 | Very low | 29.2 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | cis | -138.2 | -164.9 | 13.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 634 | F | 29.3 | Very low | 30.8 | Very low | 200 Ų | 200 | 125.2 Ų | 125.2 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | cis | -145.1 | -107.4 | 7.5 | -143 | -32.5 | 0 | 0 | 0 | 113.6 | ||||
| 635 | S | 29.5 | Very low | 31.8 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -144.5 | 160.7 | -163.2 | -65.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 636 | A | 28.9 | Very low | 31.9 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -115.9 | 161.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 637 | V | 29.4 | Very low | 32.3 | Very low | 142 Ų | 142 | 123.1 Ų | 123.1 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -145.4 | 142.6 | 163.4 | -179 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 638 | T | 27.5 | Very low | 32.5 | Very low | 129 Ų | 129 | 119 Ų | 119 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -133.8 | 173.3 | 170.2 | 15 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 639 | P | 44.7 | Very low | 32.8 | Very low | 106 Ų | 106 | 118.1 Ų | 118.1 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -136.6 | -161.5 | 8.6 | 37.6 | -15.4 | 0 | 0 | 0 | 114.7 | ||||
| 640 | C | 24.5 | Very low | 32.9 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | 73.3 | 153 | 155.6 | -68 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 641 | S | 26.4 | Very low | 32.9 | Very low | 103 Ų | 103 | 119 Ų | 119 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | cis | -172.2 | 155.8 | -16.4 | 49 | 0 | 0 | 0 | 0 | 112 | ||||
| 642 | A | 28.9 | Very low | 33 | Very low | 105 Ų | 105 | 118 Ų | 118 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | 64.3 | 174.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 643 | S | 30.7 | Very low | 33.1 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -136.2 | -159.2 | -166.7 | 71.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 644 | P | 59.7 | Low | 33 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -96.9 | -176.1 | -134.1 | 49.1 | -42.1 | 0 | 0 | 0 | 113.5 | ||||
| 645 | P | 48.9 | Very low | 33.1 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | -150.9 | -178.2 | 68.1 | 42 | -20 | 0 | 0 | 0 | 117.8 | |||||
| 646 | S | 32.2 | Very low | 34.2 | Very low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -4.3 | 157 | 154.2 | 60.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 647 | L | 35.1 | Very low | 35.8 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | cis | -162.3 | -156.7 | 17.7 | -130.3 | 163.6 | 0 | 0 | 0 | 112.6 | ||||
| 648 | D | 30.2 | Very low | 37.2 | Very low | 150 Ų | 150 | 121.9 Ų | 121.9 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | 82.4 | 144.6 | 169.3 | -64.9 | -13.4 | 0 | 0 | 0 | 119.8 | ||||
| 649 | A | 36 | Very low | 37.6 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | cis | -167.2 | 166.1 | -17.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 650 | N | 30.2 | Very low | 36.9 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | 69.1 | 149.3 | 170.1 | -56 | -42.8 | 0 | 0 | 0 | 118.1 | ||||
| 651 | G | 30.1 | Very low | 37.4 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | 126.6 | 130.2 | 4.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 652 | T | 30 | Very low | 37.9 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | -170.5 | 153.5 | 38 | 43.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 653 | K | 33.2 | Very low | 38 | Very low | 193 Ų | 193 | 130.4 Ų | 130.4 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | 49.4 | 129.4 | 143 | -64.2 | 178.7 | 177.7 | -178.1 | 0 | 123.9 | ||||
| 654 | S | 27.7 | Very low | 38 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | 156.4 | 162.2 | 105.7 | 56.4 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 655 | D | 32 | Very low | 36.6 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -127.7 | 177.1 | -167 | -82.4 | -63.8 | 0 | 0 | 0 | 111.8 | ||||
| 656 | P | 52.7 | Low | 36.7 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | cis | -130.1 | -110.4 | -16.2 | 25.1 | 2.7 | 0 | 0 | 0 | 116.3 | ||||
| 657 | P | 61.7 | Low | 36.7 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -127.1 | -154.3 | -137.4 | 44.3 | -21.1 | 0 | 0 | 0 | 114 | ||||
| 658 | P | 57.7 | Low | 36.5 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | cis | -143.6 | 178.3 | -3.5 | 44.8 | -25.3 | 0 | 0 | 0 | 119.6 | ||||
| 659 | L | 36.5 | Very low | 36.5 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | 60.5 | 134.5 | 142 | -80.6 | 164.2 | 0 | 0 | 0 | 124.6 | ||||
| 660 | F | 30.3 | Very low | 36.3 | Very low | 201 Ų | 201 | 137.7 Ų | 137.7 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | -163.8 | 149.8 | 106 | -113.3 | -79.2 | 0 | 0 | 0 | 114.7 | |||||
| 661 | S | 35.2 | Very low | 36.2 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | -42.4 | 160 | -176.8 | 57.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 662 | S | 36.9 | Very low | 36.9 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -167.2 | -154.8 | -5.5 | 49.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 663 | K | 31.9 | Very low | 37 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | cis | -165.5 | -178.4 | 10.7 | -123.3 | 177 | -173.9 | 175.8 | 0 | 105.5 | ||||
| 664 | S | 30.7 | Very low | 36.7 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | cis | -165.2 | -174.3 | -7.1 | 37.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 665 | R | 29.8 | Very low | 36.8 | Very low | 214 Ų | 214 | 139.6 Ų | 139.6 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -149.1 | -178 | 175.8 | -114.8 | -171.2 | -169.6 | -163.4 | 5.3 | 109.7 | ||||
| 666 | P | 50.8 | Low | 38 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | cis | -144.6 | -157.5 | 30.5 | 44.8 | -22.4 | 0 | 0 | 0 | 116.7 | ||||
| 667 | D | 31.9 | Very low | 38 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -89.2 | 172.6 | -167.4 | -39.8 | -99.6 | 0 | 0 | 0 | 116.3 | ||||
| 668 | S | 30 | Very low | 36.3 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 159 | 159.4 | 121.9 | 58.3 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 669 | H | 32.2 | Very low | 35.2 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 83.8 | 168 | 154.1 | -70.4 | -57.1 | 0 | 0 | 0 | 123.4 | ||||
| 670 | L | 30.9 | Very low | 34.9 | Very low | 147 Ų | 147 | 140 Ų | 140 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -141 | 149.7 | -147.6 | -80.8 | 149.4 | 0 | 0 | 0 | 112.7 | ||||
| 671 | M | 28.7 | Very low | 35.1 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | 66.9 | 169 | 152.4 | -74.9 | -60.8 | 106 | 0 | 0 | 116.4 | ||||
| 672 | P | 44.5 | Very low | 34.6 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | -133.2 | -166.8 | 18.9 | 44.9 | -26.7 | 0 | 0 | 0 | 117.2 | ||||
| 673 | S | 32 | Very low | 34.3 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -95.8 | 165.8 | -173.2 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 674 | G | 27 | Very low | 34.1 | Very low | 76 Ų | 76 | 147.4 Ų | 147.4 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -163.1 | 156.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 675 | R | 30.3 | Very low | 34.1 | Very low | 248 Ų | 248 | 147.4 Ų | 147.4 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -132.5 | -168.5 | -174.9 | -127.5 | -159 | 171.9 | -176.5 | -0.4 | 111 | ||||
| 676 | P | 57.3 | Low | 35 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | -96.4 | -153 | -148.1 | 48.9 | -39.7 | 0 | 0 | 0 | 110.8 | ||||
| 677 | P | 51 | Low | 34.1 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -132.7 | -162.3 | -11.2 | 42.4 | -24.6 | 0 | 0 | 0 | 112.9 | ||||
| 678 | G | 26.6 | Very low | 34.2 | Very low | 72 Ų | 72 | 145.2 Ų | 145.2 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 140.4 | 134.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 679 | D | 36 | Very low | 34.2 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -66.8 | 160 | 162.6 | -65.2 | -85.2 | 0 | 0 | 0 | 112.2 | ||||
| 680 | H | 28.3 | Very low | 34.2 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | -171.4 | 149.9 | 112.2 | -90.6 | -35.4 | 0 | 0 | 0 | 113.3 | |||||
| 681 | R | 34.5 | Very low | 34.2 | Very low | 238 Ų | 238 | 145.5 Ų | 145.5 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -60.1 | 144.6 | 172.6 | -64.5 | 169.7 | 166.8 | -177.8 | -4.9 | 111.5 | ||||
| 682 | L | 26.5 | Very low | 34.1 | Very low | 176 Ų | 176 | 144.3 Ų | 144.3 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -136.6 | 137.2 | 135.7 | -80.9 | -176.6 | 0 | 0 | 0 | 111 | ||||
| 683 | S | 28.9 | Very low | 33.3 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | -86.9 | 149.6 | 174.3 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 684 | Y | 29.2 | Very low | 34.6 | Very low | 233 Ų | 233 | 144.1 Ų | 144.1 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | -157.9 | 115.9 | 140.3 | -102.2 | -68.9 | 0 | 0 | 0 | 112.2 | ||||
| 685 | S | 30.6 | Very low | 35.7 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -104.7 | 171.5 | 149.5 | -44.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 686 | P | 48.6 | Very low | 35.6 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | -162.2 | 176.7 | 84.7 | 41.7 | -20.4 | 0 | 0 | 0 | 118.6 | |||||
| 687 | L | 32.2 | Very low | 34.3 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | 74.5 | 135.5 | 162.7 | -48 | -174.5 | 0 | 0 | 0 | 116.9 | ||||
| 688 | L | 32.3 | Very low | 34.1 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | cis | -129 | 167.2 | 12.5 | -71.3 | 170.2 | 0 | 0 | 0 | 110.9 | ||||
| 689 | L | 30.9 | Very low | 34.2 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | cis | 81.2 | 124.6 | 27 | -151.8 | 82.5 | 0 | 0 | 0 | 113.6 | ||||
| 690 | H | 32.8 | Very low | 33.8 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 64% | 0.644 | 79% | 0.793 | S | S | * | * | cis | -153 | 161.3 | -3.3 | -111.3 | 178.2 | 0 | 0 | 0 | 107 | ||||
| 691 | K | 29.3 | Very low | 33.9 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | cis | 92 | 122.9 | 26 | -172.5 | -161.9 | 179.6 | -177.1 | 0 | 115.5 | ||||
| 692 | V | 27.4 | Very low | 34.5 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 175.4 | 167.1 | 136.8 | 155 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 693 | T | 27.5 | Very low | 34.5 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -117.4 | -149.5 | -154.1 | -32.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 694 | P | 60.4 | Low | 34.4 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | -107.9 | -171.9 | -130.9 | 45.1 | -30.4 | 0 | 0 | 0 | 116.6 | ||||
| 695 | P | 49.7 | Very low | 34.4 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | -154.6 | 149.8 | 119.5 | 37.3 | -18.8 | 0 | 0 | 0 | 119.9 | |||||
| 696 | F | 27.4 | Very low | 35 | Very low | 213 Ų | 213 | 130.3 Ų | 130.3 | 93% | 0.934 | 77% | 0.767 | S | S | * | * | trans | 55.5 | 154.3 | 140.4 | -80.6 | -91.4 | 0 | 0 | 0 | 126.4 | ||||
| 697 | S | 31 | Very low | 34 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -105.1 | 173.2 | 176 | -40.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 698 | P | 46.3 | Very low | 34.9 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | -141.3 | -170.9 | 108.6 | 39 | -25.1 | 0 | 0 | 0 | 114.2 | |||||
| 699 | A | 29.3 | Very low | 34.7 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -130.2 | 165.1 | -162.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 700 | A | 27.7 | Very low | 34.4 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -158.3 | 153.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 701 | Q | 30.4 | Very low | 34.2 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -152.3 | -176.3 | 173.6 | -118.9 | -155.3 | 8.6 | 0 | 0 | 107.8 | ||||
| 702 | P | 46.2 | Very low | 34.1 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | cis | -80.2 | -150.5 | 0.1 | 39.8 | -39.8 | 0 | 0 | 0 | 110.8 | ||||
| 703 | D | 25.8 | Very low | 34.3 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | cis | -156.4 | 165.8 | 10.4 | -126.2 | -32.8 | 0 | 0 | 0 | 107.8 | ||||
| 704 | S | 27.2 | Very low | 34.3 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | cis | -153.2 | -162.1 | 8 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 705 | S | 29.5 | Very low | 32.8 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -139.1 | 170.2 | 174.8 | 64.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 706 | P | 43.6 | Very low | 31.9 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -143 | 177.7 | 19.8 | 44.6 | -25.5 | 0 | 0 | 0 | 118.7 | ||||
| 707 | E | 27.7 | Very low | 32.1 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -70.7 | -171 | 157.1 | -116.5 | -172.4 | 171.6 | 0 | 0 | 112.3 | ||||
| 708 | P | 51.4 | Low | 32.8 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 59% | 0.591 | 77% | 0.774 | S | S | * | * | cis | -139.1 | -156.7 | -18.7 | 31.2 | -6.7 | 0 | 0 | 0 | 113.8 | ||||
| 709 | T | 26.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 84.7 | 98.1 | 147.6 | 49.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 710 | S | 26.2 | Very low | 32 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | 83.4 | 147.4 | 112.8 | 87.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 711 | R | 28.5 | Very low | 31.8 | Very low | 228 Ų | 228 | 137.1 Ų | 137.1 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | 75.1 | 104.5 | 148.1 | -75.2 | 179.2 | 176.4 | -177.3 | 0.5 | 123 | ||||
| 712 | S | 27.2 | Very low | 31.7 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | 79.5 | 108 | 110.5 | -58.5 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 713 | R | 30.8 | Very low | 30.7 | Very low | 233 Ų | 233 | 138.4 Ų | 138.4 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | 90 | 134.1 | 117.3 | -141.6 | -163.1 | -143.1 | 174.1 | 6.2 | 122.1 | |||||
| 714 | T | 28.1 | Very low | 31.5 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | 84.3 | 148.7 | 141.5 | 16.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 715 | I | 28.3 | Very low | 31.4 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 77.3 | 151.9 | 151 | -73.9 | 160 | 0 | 0 | 0 | 117.7 | ||||
| 716 | S | 29.8 | Very low | 31.4 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | cis | 179.9 | 176.7 | -42.5 | -88.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 717 | D | 31.8 | Very low | 30.5 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -55.8 | 172.2 | -175.4 | -52.3 | -55.3 | 0 | 0 | 0 | 117.4 | ||||
| 718 | P | 47.2 | Very low | 30.6 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | -137.4 | 161.8 | 117 | 38.8 | -29.5 | 0 | 0 | 0 | 116.6 | |||||
| 719 | Q | 30.2 | Very low | 29.5 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -104.9 | 170.4 | 178.2 | -51.7 | 168.5 | -82 | 0 | 0 | 112.4 | ||||
| 720 | C | 26.9 | Very low | 29.9 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | 164.2 | 141.9 | 106.5 | -98.8 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 721 | N | 25 | Very low | 30 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 58.8 | 122 | 138.4 | -57.3 | -12.3 | 0 | 0 | 0 | 124.4 | ||||
| 722 | S | 28 | Very low | 30.1 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | -177.3 | 134 | 111.1 | 61 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 723 | E | 25.8 | Very low | 30.3 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -96.4 | -173.2 | 160.2 | -64.5 | -165.9 | 108.2 | 0 | 0 | 110.1 | ||||
| 724 | P | 42.7 | Very low | 30.3 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | cis | -142 | -173.4 | 1.6 | 44.1 | -25.1 | 0 | 0 | 0 | 117.8 | ||||
| 725 | S | 23.7 | Very low | 30.3 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 77.4 | 153.6 | 150.7 | 81.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 726 | Q | 29 | Very low | 30.3 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | cis | -160.2 | 135.6 | -4.6 | -131.9 | 175.5 | 27.1 | 0 | 0 | 115.2 | ||||
| 727 | T | 26.2 | Very low | 30.3 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | 60.8 | 147.2 | 144.1 | 47 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 728 | Q | 28.6 | Very low | 30.3 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 96.9 | 133.9 | 159.5 | -58.4 | -156.1 | 22.1 | 0 | 0 | 118.5 | ||||
| 729 | N | 29.6 | Very low | 29.6 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 59% | 0.588 | 80% | 0.799 | S | S | * | * | cis | -166 | 128.2 | -18.2 | -122.9 | -23.9 | 0 | 0 | 0 | 112.5 | ||||
| 730 | Q | 33.8 | Very low | 29.7 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 55.4 | 159.5 | 147.8 | -59.3 | 172.7 | 54.2 | 0 | 0 | 120.2 | ||||
| 731 | T | 29.7 | Very low | 30.1 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | cis | -142.1 | 150.1 | 10.7 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 732 | G | 30.7 | Very low | 30.7 | Very low | 81 Ų | 81 | 146.1 Ų | 146.1 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 57.9 | 145.3 | 140.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 733 | S | 30.2 | Very low | 31.7 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | cis | -147.4 | 178.2 | 9.7 | -166.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 734 | T | 31 | Very low | 32.4 | Very low | 141 Ų | 141 | 144 Ų | 144 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | -112.3 | 152.8 | -158.5 | 55.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 735 | G | 28.1 | Very low | 32.4 | Very low | 78 Ų | 78 | 146.1 Ų | 146.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -176.6 | 70.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 736 | I | 29.1 | Very low | 33.5 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -105 | 123.6 | 172.4 | -61.9 | 174.7 | 0 | 0 | 0 | 110.2 | ||||
| 737 | L | 29.5 | Very low | 34.4 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 133 | 166.2 | -132.3 | 81.2 | 0 | 0 | 0 | 110.9 | ||
| 738 | R | 31.3 | Very low | 35.2 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 143.9 | -175.9 | -70.7 | 175.1 | 169.4 | 163.4 | -5 | 112.1 | K740 | R738-K740 PolarHBondContact O-N 3.06Š|
| 739 | R | 33.7 | Very low | 35.7 | Very low | 250 Ų | 250 | 140.8 Ų | 140.8 | 94% | 0.943 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 133.9 | 161.9 | -73 | 178.9 | 175.1 | 149.6 | -2.4 | 109.6 | ||
| 740 | K | 30.3 | Very low | 36.3 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | -112.2 | 98.1 | 178.4 | -168 | 174.3 | -175.3 | 178.1 | 0 | 109.8 | R738 | R738-K740 PolarHBondContact O-N 3.06Š| ||
| 741 | V | 36.8 | Very low | 36.7 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 132.8 | 171.9 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 742 | M | 36.6 | Very low | 37.2 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 59% | 0.586 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 136.8 | 177.1 | -68 | -176.2 | 67.9 | 0 | 0 | 110.9 | M746 | M742-M746 HydrophobicContact CE-CB 4.31Å; M742-M746 HydrophobicContact CE-CG 3.85Å; M742-M746 HydrophobicContact CE-SD 4.02Å |
| 743 | S | 48.6 | Very low | 37.6 | Very low | 63 Ų | 63 | 147.6 Ų | 147.6 | 44% | 0.441 | 73% | 0.73 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 150.9 | 176.1 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | E745 M746 | S743-E745 PolarHBondContact O-N 2.68Å; S743-E745 VanDerWaalsContact O-N 3.12Å; S743-M746 PolarHBondContact O-N 3.2Å |
| 744 | K | 41.7 | Very low | 38 | Very low | 201 Ų | 201 | 145.4 Ų | 145.4 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -60.4 | -26 | -172.4 | -144.1 | 171.4 | -174.6 | 178.7 | 0 | 113.5 | ||
| 745 | E | 43.1 | Very low | 38.4 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -76.8 | -32.1 | 175.7 | -65.4 | 168.2 | 113.6 | 0 | 0 | 113.4 | S743 V747 K748 N749 | S743-E745 PolarHBondContact O-N 2.68Å; S743-E745 VanDerWaalsContact O-N 3.12Å; E745-V747 PolarHBondContact O-N 2.89Å; E745-K748 WeakPolarHBondContact O-CB 3.38Å; E745-K748 PolarHBondContact O-N 3.31Å; E745-K748 VanDerWaalsContact O-N 3.1Å; E745-N749 PolarHBondContact O-N 2.9Å; E745-N749 VanDerWaalsContact O-N 3.08Å |
| 746 | M | 45.6 | Very low | 38.8 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 53% | 0.527 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -68.9 | -26.9 | -178 | -166.3 | 165.9 | -71.9 | 0 | 0 | 112.2 | M742 S743 | M742-M746 HydrophobicContact CE-CB 4.31Å; M742-M746 HydrophobicContact CE-CG 3.85Å; M742-M746 HydrophobicContact CE-SD 4.02Å; S743-M746 PolarHBondContact O-N 3.2Å |
| 747 | V | 49.1 | Very low | 39.1 | Very low | 84 Ų | 84 | 152.9 Ų | 152.9 | 51% | 0.509 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -71.9 | -41.1 | 170.7 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | E745 N749 F750 H751 | E745-V747 PolarHBondContact O-N 2.89Å; V747-N749 PolarHBondContact O-N 3.43Å; V747-F750 WeakPolarHBondContact O-CB 3.24Å; V747-F750 PolarHBondContact O-N 2.86Å; V747-F750 VanDerWaalsContact O-N 3.15Å; V747-H751 PolarHBondContact O-N 2.87Å |
| 748 | K | 42.6 | Very low | 39.5 | Very low | 157 Ų | 157 | 153.4 Ų | 153.4 | 68% | 0.683 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -62.4 | -44.7 | -179.8 | -159.3 | 175.8 | -176.8 | -177 | 0 | 111.6 | E745 F750 H751 E752 | E745-K748 WeakPolarHBondContact O-CB 3.38Å; E745-K748 PolarHBondContact O-N 3.31Å; E745-K748 VanDerWaalsContact O-N 3.1Å; K748-F750 PolarHBondContact O-N 2.9Å; K748-H751 PolarHBondContact O-N 3.31Å; K748-E752 PolarHBondContact O-N 3.14Å |
| 749 | N | 39.1 | Very low | 39.7 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 56% | 0.556 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -66.4 | -16.3 | 176.8 | -71.3 | -1.2 | 0 | 0 | 0 | 114.2 | E745 V747 | E745-N749 PolarHBondContact O-N 2.9Å; E745-N749 VanDerWaalsContact O-N 3.08Å; V747-N749 PolarHBondContact O-N 3.43Å |
| 750 | F | 40.8 | Very low | 39.6 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -81.3 | -39.8 | 174.1 | -134.3 | -85.7 | 0 | 0 | 0 | 111.5 | V747 K748 R753 S754 | V747-F750 WeakPolarHBondContact O-CB 3.24Å; V747-F750 PolarHBondContact O-N 2.86Å; V747-F750 VanDerWaalsContact O-N 3.15Å; K748-F750 PolarHBondContact O-N 2.9Å; F750-R753 PolarHBondContact O-N 3.49Å; F750-S754 PolarHBondContact O-N 3.49Å |
| 751 | H | 42.3 | Very low | 39.6 | Very low | 144 Ų | 144 | 149.9 Ų | 149.9 | 67% | 0.667 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -62.5 | -45.4 | 176.6 | -123.1 | 75.8 | 0 | 0 | 0 | 112 | V747 K748 R753 S754 V755 | V747-H751 PolarHBondContact O-N 2.87Å; K748-H751 PolarHBondContact O-N 3.31Å; H751-R753 PolarHBondContact O-N 3.16Å; H751-S754 PolarHBondContact O-N 3.41Å; H751-V755 PolarHBondContact O-N 2.82Å |
| 752 | E | 40.9 | Very low | 39 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 59% | 0.593 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -63.1 | -29.1 | 179.5 | -165.4 | 177.2 | 175.3 | 0 | 0 | 112.8 | K748 R756 | K748-E752 PolarHBondContact O-N 3.14Å; E752-R756 PolarHBondContact O-N 2.96Å |
| 753 | R | 39.1 | Very low | 38.6 | Very low | 203 Ų | 203 | 148.1 Ų | 148.1 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -77.7 | -26.2 | 179.8 | -141.2 | 169.3 | -169.5 | 162.4 | 2.5 | 113.4 | F750 H751 | F750-R753 PolarHBondContact O-N 3.49Å; H751-R753 PolarHBondContact O-N 3.16Å |
| 754 | S | 38.5 | Very low | 37.7 | Very low | 77 Ų | 77 | 153.3 Ų | 153.3 | 54% | 0.538 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -74.6 | -48.8 | 174.7 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | F750 H751 R756 R757 | F750-S754 PolarHBondContact O-N 3.49Å; H751-S754 PolarHBondContact O-N 3.41Å; S754-R756 PolarHBondContact O-N 3.4Å; S754-R757 PolarHBondContact O-N 3.35Å |
| 755 | V | 39.6 | Very low | 37.1 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 65% | 0.648 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -59.6 | -33.5 | 179.2 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | H751 R757 Q758 | H751-V755 PolarHBondContact O-N 2.82Å; V755-R757 PolarHBondContact O-N 2.91Å; V755-Q758 PolarHBondContact O-N 2.86Å |
| 756 | R | 35.9 | Very low | 36.5 | Very low | 205 Ų | 205 | 146.4 Ų | 146.4 | 77% | 0.774 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -9.5 | 178.9 | -156.3 | 166.6 | -176.2 | 166.1 | 0.5 | 114.7 | E752 S754 | E752-R756 PolarHBondContact O-N 2.96Å; S754-R756 PolarHBondContact O-N 3.4Å |
| 757 | R | 36.4 | Very low | 35.6 | Very low | 226 Ų | 226 | 149.7 Ų | 149.7 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -18.6 | 175.9 | -103.2 | -176.7 | 170.5 | -175.8 | -3.9 | 114.5 | S754 V755 | S754-R757 PolarHBondContact O-N 3.35Å; V755-R757 PolarHBondContact O-N 2.91Å |
| 758 | Q | 37.9 | Very low | 34.5 | Very low | 186 Ų | 186 | 152.2 Ų | 152.2 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 13.1 | -173.1 | -154.4 | 161.1 | -7 | 0 | 0 | 113.8 | V755 | V755-Q758 PolarHBondContact O-N 2.86Š|
| 759 | R | 34.8 | Very low | 33.7 | Very low | 240 Ų | 240 | 149.8 Ų | 149.8 | 91% | 0.906 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | 24.1 | -178.6 | -149.8 | 179 | -173 | 179.5 | 3 | 113.8 | ||
| 760 | S | 32 | Very low | 34.1 | Very low | 102 Ų | 102 | 150.1 Ų | 150.1 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | -148.5 | 74.3 | -179.1 | -167.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 761 | R | 29.2 | Very low | 33.3 | Very low | 259 Ų | 259 | 148.1 Ų | 148.1 | 98% | 0.977 | 74% | 0.744 | S | S | * | * | trans | -170.1 | 96.5 | 145.5 | -108.8 | 172.9 | -177.8 | -166.5 | -2 | 109.2 | ||||
| 762 | G | 25.2 | Very low | 32.6 | Very low | 70 Ų | 70 | 150.1 Ų | 150.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -164.8 | 88.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 763 | N | 28.9 | Very low | 31.9 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | 56.5 | 136.7 | 169.5 | -66.5 | 6.5 | 0 | 0 | 0 | 120.8 | ||||
| 764 | H | 28.8 | Very low | 31.4 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | 170.7 | 151.1 | 117.5 | -94 | -70.2 | 0 | 0 | 0 | 108 | |||||
| 765 | D | 29.2 | Very low | 30.9 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -145.6 | -173.4 | -1.6 | -151.6 | 33.7 | 0 | 0 | 0 | 108 | ||||
| 766 | S | 29.7 | Very low | 30.3 | Very low | 67 Ų | 67 | 149.2 Ų | 149.2 | 47% | 0.469 | 77% | 0.77 | S | S | . | * | cis | -164.4 | 171.9 | 14.4 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 767 | Q | 27.4 | Very low | 29.8 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | 72.8 | 142.5 | 155.4 | -68.7 | 169.1 | 76.1 | 0 | 0 | 118.3 | ||||
| 768 | T | 26.2 | Very low | 29.6 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | cis | -125.5 | 171.3 | 13.9 | 48.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 769 | S | 25.7 | Very low | 29.6 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -107.2 | 176.2 | -178.2 | 64 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 770 | P | 46.8 | Very low | 29.2 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | cis | -129.7 | -152.3 | 8.4 | 30.1 | -3.5 | 0 | 0 | 0 | 111.7 | ||||
| 771 | T | 25.6 | Very low | 28.9 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | cis | -163.8 | 170.2 | 15.5 | -20.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 772 | K | 26.7 | Very low | 28.8 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 55 | 98.7 | 155.9 | -73.7 | 178.5 | -178.3 | -179.8 | 0 | 117.5 | ||||
| 773 | S | 26.8 | Very low | 28.9 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | 75.5 | 126.9 | 83.2 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 774 | S | 28.6 | Very low | 28.8 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | cis | -157.7 | 158.4 | 24.6 | -68.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 775 | Q | 27 | Very low | 28.7 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | 67.5 | 132.2 | 151.5 | -73.4 | 169.3 | -39.9 | 0 | 0 | 119.6 | ||||
| 776 | V | 28.3 | Very low | 28.6 | Very low | 117 Ų | 117 | 141 Ų | 141 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | cis | 97.5 | 129.1 | 36.8 | 160.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 777 | Q | 24.9 | Very low | 28.6 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | cis | -158.6 | 178.4 | 4.1 | -128.3 | 169.5 | -4.3 | 0 | 0 | 114.1 | ||||
| 778 | V | 31.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 145 Ų | 145 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | trans | -131.7 | 150.4 | 170.8 | -164.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 779 | P | 38.7 | Very low | 28.9 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -138 | 154.3 | 135.1 | 20.1 | 2 | 0 | 0 | 0 | 113.4 | ||||
| 780 | W | 25.8 | Very low | 29 | Very low | 234 Ų | 234 | 149 Ų | 149 | 89% | 0.886 | 73% | 0.733 | S | S | * | * | 71.2 | 134.8 | 50.1 | -57.8 | 123.9 | 0 | 0 | 0 | 114.1 | |||||
| 781 | K | 26.7 | Very low | 28.2 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | cis | -105.7 | -170.8 | 5.6 | -123.7 | -165.7 | -172.5 | -166.4 | 0 | 111.2 | E783 | K781-E783 VanDerWaalsContact CE-OE2 3.26Å; K781-E783 WeakPolarHBondContact CE-OE2 3.29Å; K781-E783 IonicContact NZ-OE2 2.69Å; K781-E783 PolarHBondContact NZ-OE2 3.44Å | ||
| 782 | K | 26.1 | Very low | 28.5 | Very low | 133 Ų | 133 | 154 Ų | 154 | 58% | 0.578 | 74% | 0.739 | S | S | * | * | cis | 78 | 147.3 | 7.9 | -135.9 | -124.6 | 150.3 | -157.3 | 0 | 121.2 | E784 | K782-E784 IonicContact NZ-OE1 2.75Å; K782-E784 PolarHBondContact NZ-OE1 2.87Å | ||
| 783 | E | 27.2 | Very low | 28.4 | Very low | 107 Ų | 107 | 154.2 Ų | 154.2 | 50% | 0.5 | 74% | 0.74 | S | S | . | * | trans | 71.1 | 148.8 | 171.2 | -81.1 | 144.5 | -155.6 | 0 | 0 | 117.9 | K781 | K781-E783 VanDerWaalsContact CE-OE2 3.26Å; K781-E783 WeakPolarHBondContact CE-OE2 3.29Å; K781-E783 IonicContact NZ-OE2 2.69Å; K781-E783 PolarHBondContact NZ-OE2 3.44Å | ||
| 784 | E | 27.5 | Very low | 28.4 | Very low | 140 Ų | 140 | 156.5 Ų | 156.5 | 65% | 0.654 | 74% | 0.74 | S | S | * | * | cis | -169.5 | 175.2 | -26.8 | -137.3 | 146.6 | -120.6 | 0 | 0 | 108.7 | K782 | K782-E784 IonicContact NZ-OE1 2.75Å; K782-E784 PolarHBondContact NZ-OE1 2.87Å | ||
| 785 | E | 26.2 | Very low | 28.2 | Very low | 189 Ų | 189 | 157.9 Ų | 157.9 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | 62.6 | 137.9 | 164.7 | -61.9 | 179.8 | 158 | 0 | 0 | 122.7 | ||||
| 786 | E | 27.1 | Very low | 29.5 | Very low | 204 Ų | 204 | 154.4 Ų | 154.4 | 95% | 0.953 | 74% | 0.737 | S | S | * | * | trans | -162.6 | 159.1 | 141.8 | -140.9 | 169.5 | -149.4 | 0 | 0 | 112 | ||||
| 787 | E | 29.1 | Very low | 29.9 | Very low | 185 Ų | 185 | 157.6 Ų | 157.6 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -136.7 | 176.4 | -171.4 | -160.9 | 175.7 | -169.9 | 0 | 0 | 112.5 | ||||
| 788 | E | 29.3 | Very low | 30.5 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 65% | 0.654 | 73% | 0.731 | S | S | * | * | trans | -56.7 | 164 | -179.8 | -50.7 | -175.1 | 137.4 | 0 | 0 | 114.2 | ||||
| 789 | R | 31.3 | Very low | 30.7 | Very low | 183 Ų | 183 | 156.8 Ų | 156.8 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | cis | 176.8 | 175.3 | 44.7 | -152.3 | -179.4 | -111.6 | -113.1 | -12.8 | 113 | ||||
| 790 | K | 28.2 | Very low | 30.5 | Very low | 146 Ų | 146 | 158.5 Ų | 158.5 | 64% | 0.635 | 73% | 0.733 | S | S | * | * | trans | 77.1 | 151.5 | 152 | -76.1 | -169.2 | 175.7 | -71 | 0 | 119.5 | ||||
| 791 | E | 30.3 | Very low | 30.9 | Very low | 143 Ų | 143 | 154.8 Ų | 154.8 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | cis | -164.6 | -176.1 | -24.4 | -137.8 | 152.8 | -127.2 | 0 | 0 | 110.9 | ||||
| 792 | E | 30.9 | Very low | 31 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | trans | -79.9 | 164.1 | -160.4 | -51.3 | 167.5 | 106.9 | 0 | 0 | 119.5 | ||||
| 793 | K | 24.2 | Very low | 31.3 | Very low | 189 Ų | 189 | 153.9 Ų | 153.9 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | -168.7 | 128.4 | 132.6 | -115.3 | 178.8 | 177.9 | -175.5 | 0 | 121.3 | ||||
| 794 | E | 28 | Very low | 31.4 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | trans | 9.6 | 123.6 | 147.1 | -59.3 | 173.9 | 116.7 | 0 | 0 | 126.4 | ||||
| 795 | T | 23.8 | Very low | 31.9 | Very low | 126 Ų | 126 | 153.5 Ų | 153.5 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | 33.1 | 171.1 | 121.9 | 67.9 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 796 | P | 53.3 | Low | 32 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | cis | -145.2 | -171.8 | -35.7 | 38.3 | -17.7 | 0 | 0 | 0 | 117.7 | ||||
| 797 | K | 37.6 | Very low | 32.1 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | trans | 106.4 | 148.7 | 139.6 | -90.9 | -179.2 | -178 | 176.2 | 0 | 125.6 | ||||
| 798 | D | 37.2 | Very low | 31.8 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | trans | 75.8 | 146 | 153.6 | -76.6 | 14.1 | 0 | 0 | 0 | 120.8 | ||||
| 799 | K | 37.1 | Very low | 31.6 | Very low | 161 Ų | 161 | 145 Ų | 145 | 70% | 0.7 | 76% | 0.757 | S | S | * | * | cis | -168.1 | 171 | -0.8 | -126.6 | 171.1 | -171.7 | 137.6 | 0 | 117.4 | ||||
| 800 | L | 34.1 | Very low | 31.1 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 74 | 158.2 | 161.1 | -98.2 | 61.6 | 0 | 0 | 0 | 117.7 | ||||
| 801 | L | 33.6 | Very low | 30.9 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | cis | -146.9 | -177.3 | -1.8 | -102.2 | 179 | 0 | 0 | 0 | 108.5 | ||||
| 802 | G | 29.7 | Very low | 30.6 | Very low | 56 Ų | 56 | 140.4 Ų | 140.4 | 58% | 0.577 | 78% | 0.777 | S | S | * | * | cis | 150.9 | 122.9 | -10.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 803 | F | 31.6 | Very low | 30.3 | Very low | 224 Ų | 224 | 137.5 Ų | 137.5 | 98% | 0.982 | 78% | 0.776 | S | S | * | * | trans | 65.5 | 148 | 177.2 | -61.6 | -83.9 | 0 | 0 | 0 | 118 | ||||
| 804 | G | 30.2 | Very low | 30.3 | Very low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | cis | -165.6 | -179.9 | -0 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 805 | L | 36.5 | Very low | 30.3 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | -96.3 | 158.4 | -171 | -54.2 | 178.4 | 0 | 0 | 0 | 112 | ||||
| 806 | C | 29.7 | Very low | 30.4 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | cis | -161.8 | -156.6 | -10.8 | -107 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 807 | L | 27.7 | Very low | 29.2 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | cis | -165.8 | 140.3 | 13.1 | -154.1 | 176.9 | 0 | 0 | 0 | 109.3 | ||||
| 808 | G | 23.9 | Very low | 28.6 | Very low | 65 Ų | 65 | 130.2 Ų | 130.2 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | 132 | 116.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 809 | Q | 24.2 | Very low | 29.1 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | 51.2 | 135.7 | 152.8 | -89.7 | 179.1 | -19.9 | 0 | 0 | 124.3 | ||||
| 810 | C | 21.8 | Very low | 28.6 | Very low | 105 Ų | 105 | 131 Ų | 131 | 71% | 0.709 | 82% | 0.82 | S | S | * | * | trans | 85 | 117.5 | 147.9 | -65.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 811 | E | 22.6 | Very low | 28.9 | Very low | 197 Ų | 197 | 130 Ų | 130 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | 72.8 | 144.7 | 143.2 | -59.5 | -175.3 | 141.7 | 0 | 0 | 121.7 | ||||
| 812 | G | 24.1 | Very low | 28.6 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | 75.8 | 84.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 813 | S | 26.3 | Very low | 28.7 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | cis | 82.4 | 64.4 | 30.9 | -168.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 814 | E | 23.7 | Very low | 29.1 | Very low | 193 Ų | 193 | 128.8 Ų | 128.8 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -153 | 129.1 | 154.8 | -136.8 | 174.4 | -130.3 | 0 | 0 | 111.4 | ||||
| 815 | T | 26.7 | Very low | 29.6 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 90% | 0.896 | 83% | 0.833 | S | S | * | * | trans | -151.6 | 146.7 | 173.9 | 48 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 816 | A | 27.6 | Very low | 29.5 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -89 | 145.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 817 | G | 26.6 | Very low | 29.8 | Very low | 86 Ų | 86 | 137.1 Ų | 137.1 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | 70.3 | 92.8 | 126.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 818 | G | 25.2 | Very low | 29.9 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -163.6 | 137.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 819 | P | 47.9 | Very low | 30.3 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -104.7 | 149.2 | -163.2 | 38.3 | -33.9 | 0 | 0 | 0 | 115.1 | ||||
| 820 | D | 27.4 | Very low | 30.7 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | trans | -165.2 | 170.5 | 144.2 | -115.6 | -6.1 | 0 | 0 | 0 | 110.6 | ||||
| 821 | P | 40.2 | Very low | 31.2 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 85% | 0.847 | S | S | * | * | trans | -99.3 | 168.3 | -152.8 | 38.4 | -39.7 | 0 | 0 | 0 | 116.6 | ||||
| 822 | G | 26.3 | Very low | 31.5 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 84% | 0.841 | S | S | * | * | trans | -170.3 | 162.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 823 | L | 33.6 | Very low | 31.7 | Very low | 157 Ų | 157 | 141 Ų | 141 | 82% | 0.822 | 85% | 0.845 | S | S | * | * | trans | 64.3 | 57.1 | 168.9 | -56.2 | 178.8 | 0 | 0 | 0 | 117.3 | E825 | L823-E825 VanDerWaalsContact C-N 3.26Š| ||
| 824 | L | 39.6 | Very low | 31.7 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 96% | 0.958 | 84% | 0.843 | S | S | * | * | trans | -93.7 | 52.3 | 150.1 | -139.1 | 177.6 | 0 | 0 | 0 | 109.2 | ||||
| 825 | E | 40.3 | Very low | 31.8 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 84% | 0.844 | S | S | * | * | trans | -155 | 43.7 | -169.4 | -150.9 | 170 | -142.9 | 0 | 0 | 114.9 | L823 | L823-E825 VanDerWaalsContact C-N 3.26Š| ||
| 826 | E | 34.9 | Very low | 31.8 | Very low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -143.8 | 12.3 | 171.9 | -141.7 | 171.5 | -161.2 | 0 | 0 | 116.5 | ||
| 827 | I | 34.4 | Very low | 31.8 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -128.4 | 33.7 | 175.9 | -34.4 | -177.4 | 0 | 0 | 0 | 113.1 | ||
| 828 | E | 30.3 | Very low | 31.8 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -109.1 | 0.1 | 166.8 | -69.5 | -160 | 134 | 0 | 0 | 113.6 | M830 | E828-M830 PolarHBondContact O-N 2.77Š|
| 829 | S | 32.1 | Very low | 31.9 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 13.8 | -170.2 | -166.3 | 0 | 0 | 0 | 0 | 116.6 | ||
| 830 | M | 34.2 | Very low | 30.8 | Very low | 183 Ų | 183 | 145 Ų | 145 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | 0.5 | 176.8 | -71.9 | -150.1 | -62.7 | 0 | 0 | 116.4 | E828 | E828-M830 PolarHBondContact O-N 2.77Š|
| 831 | C | 31.8 | Very low | 30.9 | Very low | 124 Ų | 124 | 146 Ų | 146 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -117.6 | 29.6 | -176.1 | -66.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 832 | C | 27.5 | Very low | 30.1 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | trans | -136 | 64.5 | -176.9 | -88.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 833 | L | 29.5 | Very low | 30.4 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -135.1 | 142.1 | 156.6 | -77.5 | 179.5 | 0 | 0 | 0 | 111.4 | ||
| 834 | S | 25.8 | Very low | 30.1 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | 61.4 | 82.6 | 178.7 | 59.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 835 | S | 26.5 | Very low | 29.5 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 92% | 0.923 | 83% | 0.831 | S | S | * | * | trans | -140.4 | 44.9 | 159.3 | -76.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 836 | S | 26.8 | Very low | 28.9 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | trans | -155.7 | 108 | 166.4 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 837 | L | 26.5 | Very low | 28.4 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 94% | 0.937 | 83% | 0.827 | S | S | * | * | trans | -177.2 | 116.1 | 136.4 | -103.2 | 168.1 | 0 | 0 | 0 | 109.2 | ||||
| 838 | H | 26.2 | Very low | 27.9 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -102.6 | 154.2 | 173.3 | -142.9 | -102.8 | 0 | 0 | 0 | 109.2 | ||||
| 839 | S | 28.6 | Very low | 27.7 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | 81.1 | 153.3 | 170.1 | 83.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 840 | S | 24.9 | Very low | 27.4 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | 67.6 | 82.4 | 175.4 | 67.6 | 0 | 0 | 0 | 0 | 118.6 | H842 | S840-H842 PolarHBondContact O-N 3.07Š| ||
| 841 | L | 28.1 | Very low | 27.1 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 97% | 0.969 | 82% | 0.818 | S | S | * | * | trans | -75.5 | 98.2 | 151.4 | -79.8 | 169 | 0 | 0 | 0 | 109.1 | ||||
| 842 | H | 24.8 | Very low | 26.9 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | -92.6 | 140.9 | 168.2 | -164.7 | -81.5 | 0 | 0 | 0 | 110.8 | S840 | S840-H842 PolarHBondContact O-N 3.07Š| ||
| 843 | L | 32.4 | Very low | 26.9 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | trans | -66.7 | 133.7 | 178 | -136.6 | 74.6 | 0 | 0 | 0 | 110.9 | ||||
| 844 | S | 26 | Very low | 26.8 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -129.9 | 106.2 | 167.5 | 58 | 0 | 0 | 0 | 0 | 110 | ||||
| 845 | Q | 28.6 | Very low | 26.9 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -73.2 | 131.3 | 176.3 | -64.6 | 166.6 | -47.1 | 0 | 0 | 109.9 | ||||
| 846 | V | 26.5 | Very low | 27.1 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | trans | -94.8 | 113.1 | 164.1 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | C848 | V846-C848 PolarHBondContact O-N 3.09Š| ||
| 847 | H | 24.9 | Very low | 27.1 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -71.8 | 116.3 | 175.2 | -101.6 | -79.7 | 0 | 0 | 0 | 110.6 | S849 | H847-S849 PolarHBondContact O-N 3.23Š| ||
| 848 | C | 24.6 | Very low | 27.3 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -75.6 | 100.7 | 161.2 | -68.5 | 0 | 0 | 0 | 0 | 109.2 | V846 N850 | V846-C848 PolarHBondContact O-N 3.09Å; C848-N850 PolarHBondContact O-N 3.19Å | ||
| 849 | S | 25.1 | Very low | 27.6 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -76.5 | 118 | 175.2 | -67 | 0 | 0 | 0 | 0 | 111.1 | H847 | H847-S849 PolarHBondContact O-N 3.23Š| ||
| 850 | N | 26.3 | Very low | 27.9 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -66.9 | 134.8 | 170.5 | -82.7 | -30.6 | 0 | 0 | 0 | 111.3 | C848 | C848-N850 PolarHBondContact O-N 3.19Š| ||
| 851 | S | 27 | Very low | 28.2 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -123.4 | 113.4 | 157.5 | 59 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 852 | H | 28.1 | Very low | 28.7 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | trans | -66.8 | 139.1 | 170 | -85 | -100.6 | 0 | 0 | 0 | 110.2 | ||||
| 853 | H | 28 | Very low | 29.2 | Very low | 188 Ų | 188 | 148 Ų | 148 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | -141.5 | 142.4 | 140 | -109.1 | -74.9 | 0 | 0 | 0 | 111.3 | ||||
| 854 | Q | 27.8 | Very low | 29.1 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | -120.3 | 119.3 | -174.1 | 171.7 | -170.8 | 46.1 | 0 | 0 | 107.6 | ||||
| 855 | V | 27.4 | Very low | 29.2 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | trans | -137.9 | 148 | 172.6 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 856 | Q | 29.5 | Very low | 29.3 | Very low | 193 Ų | 193 | 149.2 Ų | 149.2 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -135.7 | 124.7 | -167.7 | -173.2 | -176.3 | 32 | 0 | 0 | 109.6 | ||||
| 857 | G | 27.6 | Very low | 29.4 | Very low | 70 Ų | 70 | 150 Ų | 150 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | trans | 156.9 | 125.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 858 | K | 31.4 | Very low | 29.7 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | 81.6 | 101.1 | 62.1 | -89.5 | -164 | 171.7 | -175.4 | 0 | 114.5 | |||||
| 859 | A | 32 | Very low | 30 | Very low | 81 Ų | 81 | 151.3 Ų | 151.3 | 67% | 0.669 | 84% | 0.842 | S | S | * | * | 79.8 | 124 | 129.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 860 | T | 34.1 | Very low | 30.4 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 82% | 0.816 | 85% | 0.847 | S | S | * | * | trans | 77.4 | 135.2 | 131.9 | 46.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 861 | E | 32.5 | Very low | 30.7 | Very low | 151 Ų | 151 | 153.8 Ų | 153.8 | 71% | 0.706 | 85% | 0.847 | S | S | * | * | trans | 76.8 | 115 | 154.8 | -66 | -157.2 | 105.7 | 0 | 0 | 122.4 | ||||
| 862 | K | 37.4 | Very low | 31 | Very low | 172 Ų | 172 | 156.9 Ų | 156.9 | 75% | 0.748 | 85% | 0.849 | S | S | * | * | 37.2 | 118.7 | 129.3 | -55.6 | 171.1 | -171.7 | 149.8 | 0 | 118.5 | |||||
| 863 | S | 36.4 | Very low | 31.3 | Very low | 195 Ų | 195 | 155.7 Ų | 155.7 | 100% | 1.364 | 85% | 0.854 | S | S | * | * | -150.8 | 0 | 79.6 | -68 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 863 of 863 residues in 390.3 ms
(Link to these results)