| 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 | 44.9 | Very low | 81.5 | Confident | 244 Ų | 244 | 76.7 Ų | 76.7 | 100% | 1.202 | 45% | 0.447 | S | S | * | . | 0 | 125.2 | 0 | -68.9 | -160.1 | -86.2 | 0 | 0 | 106.8 | S3 | M1-S3 PolarHBondContact O-N 2.84Š| |||
| 2 | A | 55.2 | Low | 82 | Confident | 81 Ų | 81 | 78.3 Ų | 78.3 | 67% | 0.669 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 135.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 3 | S | 67.8 | Low | 82.7 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 51% | 0.51 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 142.1 | 171.3 | 174.5 | 0 | 0 | 0 | 0 | 108.7 | M1 M5 | M1-S3 PolarHBondContact O-N 2.84Å; S3-M5 PolarHBondContact O-N 3.3Å |
| 4 | A | 86.8 | Confident | 83.5 | Confident | 77 Ų | 77 | 73.4 Ų | 73.4 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 139.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 5 | M | 93.9 | Very high | 84.1 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 22% | 0.217 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 142.4 | 171.7 | -65.5 | -171.4 | -64.6 | 0 | 0 | 109.8 | S3 H189 P191 T247 F250 A254 L258 | S3-M5 PolarHBondContact O-N 3.3Å; M5-H189 WeakPolarHBondContact CE-O 3.45Å; M5-P191 HydrophobicContact CB-CB 4.18Å; M5-P191 HydrophobicContact CB-CG 3.89Å; M5-T247 HydrophobicContact CB-CG2 3.87Å; M5-T247 HydrophobicContact CG-CG2 4.13Å; M5-T247 HydrophobicContact SD-CG2 4.31Å; M5-F250 HydrophobicContact SD-CD2 4.47Å; M5-F250 HydrophobicContact SD-CE2 4.49Å; M5-A254 HydrophobicContact SD-CB 3.9Å; M5-L258 HydrophobicContact CE-CD2 3.83Å; M5-L258 HydrophobicContact SD-CD2 4.14Å |
| 6 | K | 93.4 | Very high | 84.5 | Confident | 124 Ų | 124 | 69.5 Ų | 69.5 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | trans | -131.2 | 141.5 | 179.5 | -63.8 | 179.7 | -176.4 | 176.1 | 0 | 109.7 | L8 P191 T247 C248 | K6-L8 PolarHBondContact O-N 2.98Å; K6-P191 VanDerWaalsContact C-CG 3.46Å; K6-T247 CarbonylContact O-C 3.35Å; K6-T247 WeakPolarHBondContact O-CA 3.48Å; K6-C248 PolarHBondContact O-N 3.07Å | ||
| 7 | S | 92.8 | Very high | 85.1 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -55.3 | 136.6 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | I9 T10 P191 N193 E246 | S7-I9 VanDerWaalsContact C-N 3.26Å; S7-I9 PolarHBondContact O-N 3.41Å; S7-I9 WeakPolarHBondContact OG-CG2 3.19Å; S7-T10 PolarHBondContact O-N 3.16Å; S7-T10 VanDerWaalsContact O-N 3.15Å; S7-T10 PolarHBondContact O-OG1 3.14Å; S7-P191 VanDerWaalsContact CB-O 3.27Å; S7-P191 WeakPolarHBondContact CB-O 3.35Å; S7-N193 VanDerWaalsContact CB-ND2 3.28Å; S7-N193 WeakPolarHBondContact CB-ND2 3.32Å; S7-N193 PolarHBondContact OG-ND2 2.99Å; S7-E246 CarbonylContact C-O 3.6Å; S7-E246 WeakPolarHBondContact CA-O 3.49Å |
| 8 | L | 92.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -55.8 | -40.9 | 178.5 | -177.1 | 59.6 | 0 | 0 | 0 | 112 | K6 T10 N11 R14 Y15 D242 F243 E246 | K6-L8 PolarHBondContact O-N 2.98Å; L8-T10 PolarHBondContact O-N 2.99Å; L8-N11 CarbonylContact O-C 3.55Å; L8-N11 PolarHBondContact O-N 2.8Å; L8-R14 HydrophobicContact CD1-CB 4.3Å; L8-R14 HydrophobicContact CD1-CG 4.02Å; L8-Y15 HydrophobicContact CD2-CD2 4.05Å; L8-Y15 HydrophobicContact CG-CD2 4.04Å; L8-D242 HydrophobicContact CD1-CB 4.34Å; L8-F243 HydrophobicContact CD2-CD2 4.3Å; L8-E246 PolarHBondContact N-O 3.23Å |
| 9 | I | 88.3 | Confident | 86.1 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 21% | 0.205 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -62.3 | -20.6 | -177.9 | -155.9 | 65.2 | 0 | 0 | 0 | 113.4 | S7 N11 Y15 Y147 L195 | S7-I9 VanDerWaalsContact C-N 3.26Å; S7-I9 PolarHBondContact O-N 3.41Å; S7-I9 WeakPolarHBondContact OG-CG2 3.19Å; I9-N11 PolarHBondContact O-N 3.47Å; I9-Y15 HydrophobicContact CD1-CD1 4.34Å; I9-Y15 HydrophobicContact CD1-CD2 3.88Å; I9-Y15 HydrophobicContact CD1-CE1 4.33Å; I9-Y15 HydrophobicContact CD1-CE2 3.86Å; I9-Y15 HydrophobicContact CD1-CG 4.11Å; I9-Y147 HydrophobicContact CD1-CD1 4.43Å; I9-Y147 HydrophobicContact CD1-CE1 3.99Å; I9-L195 HydrophobicContact CG2-CB 3.82Å; I9-L195 HydrophobicContact CG2-CD1 3.93Å |
| 10 | T | 89.7 | Confident | 86.4 | Confident | 80 Ų | 80 | 71.8 Ų | 71.8 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -74.1 | -13.9 | 176.8 | 66 | 0 | 0 | 0 | 0 | 113.1 | S7 L8 N193 | S7-T10 PolarHBondContact O-N 3.16Å; S7-T10 VanDerWaalsContact O-N 3.15Å; S7-T10 PolarHBondContact O-OG1 3.14Å; L8-T10 PolarHBondContact O-N 2.99Å; T10-N193 WeakPolarHBondContact CG2-ND2 3.24Å |
| 11 | N | 91.1 | Very high | 87 | Confident | 75 Ų | 75 | 68.6 Ų | 68.6 | 40% | 0.401 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -118.8 | 89.7 | 172.9 | -174 | -21 | 0 | 0 | 0 | 109.7 | L8 I9 G13 R14 Y15 C248 | L8-N11 CarbonylContact O-C 3.55Å; L8-N11 PolarHBondContact O-N 2.8Å; I9-N11 PolarHBondContact O-N 3.47Å; N11-G13 VanDerWaalsContact C-N 3.34Å; N11-G13 PolarHBondContact O-N 2.92Å; N11-R14 HydrophobicContact CB-CB 4.11Å; N11-R14 PolarHBondContact O-N 3.28Å; N11-R14 PolarHBondContact OD1-N 3.1Å; N11-Y15 WeakPolarHBondContact O-CB 3.42Å; N11-Y15 PolarHBondContact O-N 2.99Å; N11-C248 VanDerWaalsContact CB-SG 3.54Å |
| 12 | H | 87.4 | Confident | 89.5 | Confident | 95 Ų | 95 | 57.3 Ų | 57.3 | 44% | 0.44 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.2 | -44.4 | -174.9 | -174.1 | 63.5 | 0 | 0 | 0 | 113.7 | R14 Y15 V16 E93 | H12-R14 PolarHBondContact O-N 3.26Å; H12-Y15 PolarHBondContact O-N 3.2Å; H12-V16 WeakPolarHBondContact O-CG2 3.47Å; H12-V16 PolarHBondContact O-N 3.24Å; H12-E93 IonicContact NE2-OE2 2.63Å |
| 13 | G | 90.8 | Very high | 91.3 | Very high | 40 Ų | 40 | 55.5 Ų | 55.5 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N11 V16 E17 | N11-G13 VanDerWaalsContact C-N 3.34Å; N11-G13 PolarHBondContact O-N 2.92Å; G13-V16 PolarHBondContact O-N 3.45Å; G13-E17 WeakPolarHBondContact O-CG 3.31Å; G13-E17 PolarHBondContact O-N 3.34Å |
| 14 | R | 94.4 | Very high | 92.7 | Very high | 48 Ų | 48 | 59.3 Ų | 59.3 | 18% | 0.181 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.2 | -39 | 178 | -166.6 | 167.2 | -175.2 | 88.1 | 8 | 112.3 | L8 N11 H12 V16 E17 S18 D242 E249 | L8-R14 HydrophobicContact CD1-CB 4.3Å; L8-R14 HydrophobicContact CD1-CG 4.02Å; N11-R14 HydrophobicContact CB-CB 4.11Å; N11-R14 PolarHBondContact O-N 3.28Å; N11-R14 PolarHBondContact OD1-N 3.1Å; H12-R14 PolarHBondContact O-N 3.26Å; R14-V16 PolarHBondContact O-N 2.9Å; R14-E17 PolarHBondContact O-N 3.02Å; R14-S18 WeakPolarHBondContact O-CB 3.48Å; R14-S18 PolarHBondContact O-N 2.98Å; R14-S18 PolarHBondContact O-OG 2.8Å; R14-D242 IonicContact CZ-OD2 3.93Å; R14-D242 IonicContact NE-OD2 3.81Å; R14-D242 PolarHBondContact NE-OD2 3.05Å; R14-D242 IonicContact NH2-OD2 2.75Å; R14-D242 PolarHBondContact NH2-OD2 3.2Å; R14-E249 VanDerWaalsContact CZ-CG 3.45Å |
| 15 | Y | 92.2 | Very high | 93.2 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 13% | 0.129 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.8 | -48.6 | 172.5 | 171.2 | -94.6 | 0 | 0 | 0 | 111.5 | L8 I9 N11 H12 E17 S18 F19 Y147 | L8-Y15 HydrophobicContact CD2-CD2 4.05Å; L8-Y15 HydrophobicContact CG-CD2 4.04Å; I9-Y15 HydrophobicContact CD1-CD1 4.34Å; I9-Y15 HydrophobicContact CD1-CD2 3.88Å; I9-Y15 HydrophobicContact CD1-CE1 4.33Å; I9-Y15 HydrophobicContact CD1-CE2 3.86Å; I9-Y15 HydrophobicContact CD1-CG 4.11Å; N11-Y15 WeakPolarHBondContact O-CB 3.42Å; N11-Y15 PolarHBondContact O-N 2.99Å; H12-Y15 PolarHBondContact O-N 3.2Å; Y15-E17 PolarHBondContact O-N 3.45Å; Y15-S18 PolarHBondContact O-N 2.99Å; Y15-F19 VanDerWaalsContact O-CB 3.27Å; Y15-F19 WeakPolarHBondContact O-CB 3.45Å; Y15-F19 PolarHBondContact O-N 3.4Å; Y15-Y147 PolarHBondContact OH-OH 3.3Å |
| 16 | V | 90.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 32% | 0.315 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 178.6 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | H12 G13 R14 R20 | H12-V16 WeakPolarHBondContact O-CG2 3.47Å; H12-V16 PolarHBondContact O-N 3.24Å; G13-V16 PolarHBondContact O-N 3.45Å; R14-V16 PolarHBondContact O-N 2.9Å; V16-R20 WeakPolarHBondContact O-CB 3.37Å; V16-R20 PolarHBondContact O-N 3.42Å |
| 17 | E | 94.4 | Very high | 93.6 | Very high | 97 Ų | 97 | 51.4 Ų | 51.4 | 45% | 0.453 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -50.8 | 175.5 | -74.7 | 178.8 | 172.6 | 0 | 0 | 112 | G13 R14 Y15 R20 I21 L239 | G13-E17 WeakPolarHBondContact O-CG 3.31Å; G13-E17 PolarHBondContact O-N 3.34Å; R14-E17 PolarHBondContact O-N 3.02Å; Y15-E17 PolarHBondContact O-N 3.45Å; E17-R20 PolarHBondContact O-N 2.96Å; E17-I21 WeakPolarHBondContact O-CG1 3.47Å; E17-I21 PolarHBondContact O-N 2.93Å; E17-I21 VanDerWaalsContact O-N 3.07Å; E17-L239 HydrophobicContact CB-CD1 4.47Å; E17-L239 HydrophobicContact CB-CD2 4.18Å |
| 18 | S | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 177.1 | -77.6 | 0 | 0 | 0 | 0 | 112.2 | R14 Y15 R20 I21 F22 L239 | R14-S18 WeakPolarHBondContact O-CB 3.48Å; R14-S18 PolarHBondContact O-N 2.98Å; R14-S18 PolarHBondContact O-OG 2.8Å; Y15-S18 PolarHBondContact O-N 2.99Å; S18-R20 VanDerWaalsContact C-N 3.33Å; S18-R20 PolarHBondContact O-N 3.45Å; S18-I21 PolarHBondContact O-N 3.33Å; S18-F22 PolarHBondContact O-N 3.4Å; S18-L239 WeakPolarHBondContact CB-O 3.23Å; S18-L239 PolarHBondContact OG-O 2.74Å |
| 19 | F | 93.3 | Very high | 93.8 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 177.5 | 179.1 | -112.7 | 0 | 0 | 0 | 112.1 | Y15 I21 F22 L23 F243 | Y15-F19 VanDerWaalsContact O-CB 3.27Å; Y15-F19 WeakPolarHBondContact O-CB 3.45Å; Y15-F19 PolarHBondContact O-N 3.4Å; F19-I21 PolarHBondContact O-N 3.42Å; F19-F22 AromaticContact CD2-CD1 3.89Å; F19-F22 HydrophobicContact CD2-CD1 3.89Å; F19-F22 HydrophobicContact CD2-CE1 4.44Å; F19-F22 AromaticContact CE2-CD1 3.99Å; F19-F22 HydrophobicContact CE2-CD1 3.99Å; F19-F22 HydrophobicContact CE2-CE1 4.13Å; F19-F22 WeakPolarHBondContact O-CB 3.14Å; F19-F22 PolarHBondContact O-N 2.83Å; F19-L23 HydrophobicContact CD1-CD1 4.09Å; F19-L23 HydrophobicContact CE1-CD1 3.46Å; F19-L23 VanDerWaalsContact CE1-CD1 3.46Å; F19-L23 HydrophobicContact CE1-CG 4.13Å; F19-L23 HydrophobicContact CE2-CD1 4.3Å; F19-L23 HydrophobicContact CE2-CD2 4.18Å; F19-L23 HydrophobicContact CE2-CG 4.12Å; F19-L23 HydrophobicContact CZ-CD1 3.58Å; F19-L23 HydrophobicContact CZ-CD2 4.05Å; F19-L23 HydrophobicContact CZ-CG 3.9Å; F19-L23 WeakPolarHBondContact O-CG 3.48Å; F19-L23 PolarHBondContact O-N 3.2Å; F19-F243 HydrophobicContact CB-CE2 4.39Å; F19-F243 HydrophobicContact CD2-CE2 4.04Å; F19-F243 HydrophobicContact CD2-CZ 4.22Å |
| 20 | R | 93.1 | Very high | 94.2 | Very high | 163 Ų | 163 | 57.4 Ų | 57.4 | 62% | 0.615 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 176 | -173 | -174.4 | 67.2 | 163.7 | -1.1 | 112.1 | V16 E17 S18 F22 K24 | V16-R20 WeakPolarHBondContact O-CB 3.37Å; V16-R20 PolarHBondContact O-N 3.42Å; E17-R20 PolarHBondContact O-N 2.96Å; S18-R20 VanDerWaalsContact C-N 3.33Å; S18-R20 PolarHBondContact O-N 3.45Å; R20-F22 VanDerWaalsContact C-N 3.35Å; R20-K24 WeakPolarHBondContact O-CB 3.44Å; R20-K24 PolarHBondContact O-N 3.22Å; R20-K24 VanDerWaalsContact O-N 3.1Å |
| 21 | I | 97.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 176.1 | -59.3 | -53.4 | 0 | 0 | 0 | 110.4 | E17 S18 F19 K24 N25 D236 L239 L240 | E17-I21 WeakPolarHBondContact O-CG1 3.47Å; E17-I21 PolarHBondContact O-N 2.93Å; E17-I21 VanDerWaalsContact O-N 3.07Å; S18-I21 PolarHBondContact O-N 3.33Å; F19-I21 PolarHBondContact O-N 3.42Å; I21-K24 PolarHBondContact O-N 2.91Å; I21-N25 WeakPolarHBondContact CG2-ND2 3.32Å; I21-N25 WeakPolarHBondContact O-CB 3.32Å; I21-N25 PolarHBondContact O-N 2.87Å; I21-N25 PolarHBondContact O-ND2 3.25Å; I21-D236 HydrophobicContact CG2-CB 3.89Å; I21-L239 HydrophobicContact CB-CB 4.49Å; I21-L239 HydrophobicContact CG1-CB 4.27Å; I21-L239 HydrophobicContact CG1-CD1 3.72Å; I21-L240 HydrophobicContact CB-CD2 4.27Å; I21-L240 HydrophobicContact CG2-CD1 4.28Å; I21-L240 HydrophobicContact CG2-CD2 3.71Å; I21-L240 HydrophobicContact CG2-CG 3.75Å |
| 22 | F | 97.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55 | -56.4 | 172.1 | 156.4 | -107.3 | 0 | 0 | 0 | 111.2 | S18 F19 R20 K24 N25 S26 E28 M224 L240 F243 | S18-F22 PolarHBondContact O-N 3.4Å; F19-F22 AromaticContact CD2-CD1 3.89Å; F19-F22 HydrophobicContact CD2-CD1 3.89Å; F19-F22 HydrophobicContact CD2-CE1 4.44Å; F19-F22 AromaticContact CE2-CD1 3.99Å; F19-F22 HydrophobicContact CE2-CD1 3.99Å; F19-F22 HydrophobicContact CE2-CE1 4.13Å; F19-F22 WeakPolarHBondContact O-CB 3.14Å; F19-F22 PolarHBondContact O-N 2.83Å; R20-F22 VanDerWaalsContact C-N 3.35Å; F22-K24 VanDerWaalsContact C-N 3.26Å; F22-K24 PolarHBondContact O-N 2.85Å; F22-N25 CarbonylContact O-C 3.59Å; F22-N25 PolarHBondContact O-N 3.35Å; F22-S26 WeakPolarHBondContact O-CB 3.49Å; F22-S26 PolarHBondContact O-N 3.33Å; F22-S26 PolarHBondContact O-OG 3.35Å; F22-E28 HydrophobicContact CE1-CB 4.15Å; F22-E28 HydrophobicContact CE1-CG 3.85Å; F22-E28 HydrophobicContact CZ-CB 3.86Å; F22-E28 HydrophobicContact CZ-CG 3.79Å; F22-E28 WeakPolarHBondContact CZ-OE2 3.48Å; F22-M224 HydrophobicContact CB-CE 4.44Å; F22-M224 HydrophobicContact CD2-CE 4.02Å; F22-M224 HydrophobicContact CD2-CG 4.19Å; F22-M224 HydrophobicContact CD2-SD 3.82Å; F22-M224 HydrophobicContact CE2-SD 4.28Å; F22-L240 HydrophobicContact CB-CD2 4.33Å; F22-F243 HydrophobicContact CB-CD1 3.8Å; F22-F243 HydrophobicContact CB-CE1 3.8Å; F22-F243 HydrophobicContact CB-CG 4.18Å; F22-F243 HydrophobicContact CB-CZ 4.18Å; F22-F243 AromaticContact CD1-CE1 3.78Å; F22-F243 HydrophobicContact CD1-CE1 3.78Å; F22-F243 AromaticContact CD1-CZ 3.72Å; F22-F243 HydrophobicContact CD1-CZ 3.72Å; F22-F243 AromaticContact CD2-CD1 3.97Å; F22-F243 HydrophobicContact CD2-CD1 3.97Å; F22-F243 AromaticContact CD2-CE1 3.52Å; F22-F243 HydrophobicContact CD2-CE1 3.52Å; F22-F243 HydrophobicContact CD2-CZ 4.32Å; F22-F243 HydrophobicContact CE1-CE1 4.21Å; F22-F243 HydrophobicContact CE1-CZ 4.15Å; F22-F243 AromaticContact CE2-CE1 3.97Å; F22-F243 HydrophobicContact CE2-CE1 3.97Å; F22-F243 AromaticContact CG-CD1 3.88Å; F22-F243 HydrophobicContact CG-CD1 3.88Å; F22-F243 AromaticContact CG-CE1 3.4Å; F22-F243 HydrophobicContact CG-CE1 3.4Å; F22-F243 AromaticContact CG-CZ 3.8Å; F22-F243 HydrophobicContact CG-CZ 3.8Å; F22-F243 HydrophobicContact CZ-CE1 4.28Å |
| 23 | L | 94.4 | Very high | 95.3 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -37.1 | -179.3 | -69.3 | -179.7 | 0 | 0 | 0 | 112.8 | F19 N25 E28 | F19-L23 HydrophobicContact CD1-CD1 4.09Å; F19-L23 HydrophobicContact CE1-CD1 3.46Å; F19-L23 VanDerWaalsContact CE1-CD1 3.46Å; F19-L23 HydrophobicContact CE1-CG 4.13Å; F19-L23 HydrophobicContact CE2-CD1 4.3Å; F19-L23 HydrophobicContact CE2-CD2 4.18Å; F19-L23 HydrophobicContact CE2-CG 4.12Å; F19-L23 HydrophobicContact CZ-CD1 3.58Å; F19-L23 HydrophobicContact CZ-CD2 4.05Å; F19-L23 HydrophobicContact CZ-CG 3.9Å; F19-L23 WeakPolarHBondContact O-CG 3.48Å; F19-L23 PolarHBondContact O-N 3.2Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 2.94Å; L23-E28 HydrophobicContact CD2-CB 4.01Å; L23-E28 HydrophobicContact CD2-CG 3.82Å |
| 24 | K | 96.3 | Very high | 95.6 | Very high | 152 Ų | 152 | 51.8 Ų | 51.8 | 66% | 0.661 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -68 | -29.7 | 177.7 | -178.3 | -174.9 | 169.1 | -159.1 | 0 | 112.6 | R20 I21 F22 | R20-K24 WeakPolarHBondContact O-CB 3.44Å; R20-K24 PolarHBondContact O-N 3.22Å; R20-K24 VanDerWaalsContact O-N 3.1Å; I21-K24 PolarHBondContact O-N 2.91Å; F22-K24 VanDerWaalsContact C-N 3.26Å; F22-K24 PolarHBondContact O-N 2.85Å |
| 25 | N | 97.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 23% | 0.225 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -107.4 | 9.2 | -174.7 | -68.6 | -83.1 | 0 | 0 | 0 | 112.9 | I21 F22 L23 M224 D225 L240 | I21-N25 WeakPolarHBondContact CG2-ND2 3.32Å; I21-N25 WeakPolarHBondContact O-CB 3.32Å; I21-N25 PolarHBondContact O-N 2.87Å; I21-N25 PolarHBondContact O-ND2 3.25Å; F22-N25 CarbonylContact O-C 3.59Å; F22-N25 PolarHBondContact O-N 3.35Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 2.94Å; N25-M224 CarbonylContact O-C 3.28Å; N25-M224 WeakPolarHBondContact O-CA 3.47Å; N25-D225 PolarHBondContact O-N 3.27Å; N25-L240 HydrophobicContact CB-CD1 4.4Å |
| 26 | S | 97.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -127 | 162.6 | 179.2 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | F22 E28 H223 | F22-S26 WeakPolarHBondContact O-CB 3.49Å; F22-S26 PolarHBondContact O-N 3.33Å; F22-S26 PolarHBondContact O-OG 3.35Å; S26-E28 PolarHBondContact O-N 3.34Å; S26-E28 VanDerWaalsContact OG-CB 3.24Å; S26-E28 WeakPolarHBondContact OG-CB 3.48Å; S26-E28 PolarHBondContact OG-N 3.42Å; S26-H223 CarbonylContact C-O 3.56Å; S26-H223 WeakPolarHBondContact CA-O 3.43Å; S26-H223 WeakPolarHBondContact CB-O 3.39Å |
| 27 | T | 97.4 | Very high | 96.4 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -89.5 | 23 | 170.6 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | Q30 C31 S222 H223 | T27-Q30 PolarHBondContact O-N 2.8Å; T27-C31 PolarHBondContact O-N 3.02Å; T27-S222 VanDerWaalsContact OG1-CA 3.3Å; T27-S222 WeakPolarHBondContact OG1-CA 3.48Å; T27-S222 PolarHBondContact OG1-OG 2.92Å; T27-H223 WeakPolarHBondContact CG2-CE1 3.45Å; T27-H223 PolarHBondContact N-O 3.38Å; T27-H223 PolarHBondContact OG1-N 3.35Å; T27-H223 PolarHBondContact OG1-O 3.03Å |
| 28 | E | 95.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -51.8 | -61.6 | -175.5 | -178.7 | 70.3 | -174.4 | 0 | 0 | 112.8 | F22 L23 S26 Q30 C31 M32 Q143 N283 | F22-E28 HydrophobicContact CE1-CB 4.15Å; F22-E28 HydrophobicContact CE1-CG 3.85Å; F22-E28 HydrophobicContact CZ-CB 3.86Å; F22-E28 HydrophobicContact CZ-CG 3.79Å; F22-E28 WeakPolarHBondContact CZ-OE2 3.48Å; L23-E28 HydrophobicContact CD2-CB 4.01Å; L23-E28 HydrophobicContact CD2-CG 3.82Å; S26-E28 PolarHBondContact O-N 3.34Å; S26-E28 VanDerWaalsContact OG-CB 3.24Å; S26-E28 WeakPolarHBondContact OG-CB 3.48Å; S26-E28 PolarHBondContact OG-N 3.42Å; E28-Q30 VanDerWaalsContact C-N 3.29Å; E28-Q30 PolarHBondContact O-N 2.84Å; E28-C31 PolarHBondContact O-SG 2.78Å; E28-M32 HydrophobicContact CG-CE 3.99Å; E28-M32 WeakPolarHBondContact O-CG 3.27Å; E28-M32 PolarHBondContact O-N 2.84Å; E28-M32 WeakPolarHBondContact OE1-CE 3.46Å; E28-Q143 WeakPolarHBondContact OE1-CG 2.95Å; E28-Q143 PolarHBondContact OE1-NE2 3.19Å; E28-N283 PolarHBondContact OE2-ND2 3.31Å |
| 29 | H | 93.8 | Very high | 96.6 | Very high | 60 Ų | 60 | 56 Ų | 56 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.5 | -27.2 | 180 | -70.8 | 177.9 | 0 | 0 | 0 | 112.2 | Q33 E65 | H29-Q33 VanDerWaalsContact O-CB 3.28Å; H29-Q33 WeakPolarHBondContact O-CB 3.35Å; H29-Q33 PolarHBondContact O-N 2.79Å; H29-E65 IonicContact CE1-OE2 3.78Å; H29-E65 PolarHBondContact CE1-OE2 2.6Å; H29-E65 IonicContact ND1-OE2 3.84Å; H29-E65 PolarHBondContact ND1-OE2 2.8Å |
| 30 | Q | 96.4 | Very high | 96.9 | Very high | 106 Ų | 106 | 53 Ų | 53 | 50% | 0.495 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.7 | -50.5 | 177.4 | -177.3 | -171.8 | -21.8 | 0 | 0 | 111 | T27 E28 M32 Q33 E34 | T27-Q30 PolarHBondContact O-N 2.8Å; E28-Q30 VanDerWaalsContact C-N 3.29Å; E28-Q30 PolarHBondContact O-N 2.84Å; Q30-M32 VanDerWaalsContact C-N 3.32Å; Q30-M32 PolarHBondContact O-N 2.85Å; Q30-Q33 WeakPolarHBondContact O-CB 3.38Å; Q30-Q33 PolarHBondContact O-N 3.46Å; Q30-Q33 VanDerWaalsContact O-N 3.16Å; Q30-E34 PolarHBondContact NE2-OE1 3.02Å; Q30-E34 WeakPolarHBondContact O-CG 3.22Å; Q30-E34 PolarHBondContact O-N 3.42Å |
| 31 | C | 97 | Very high | 97.1 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.034 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -35.5 | -178.3 | 73 | 0 | 0 | 0 | 0 | 111.6 | T27 E28 E34 F35 L220 P221 L285 | T27-C31 PolarHBondContact O-N 3.02Å; E28-C31 PolarHBondContact O-SG 2.78Å; C31-E34 PolarHBondContact O-N 2.72Å; C31-F35 PolarHBondContact O-N 2.9Å; C31-F35 VanDerWaalsContact O-N 3.09Å; C31-L220 HydrophobicContact CB-CB 4.25Å; C31-P221 WeakPolarHBondContact CB-O 3.3Å; C31-L285 VanDerWaalsContact SG-CD1 3.54Å |
| 32 | M | 97.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 171.7 | -68.3 | -174.9 | -162.3 | 0 | 0 | 111.6 | E28 Q30 E34 F35 I36 I66 V142 Q143 I171 L285 | E28-M32 HydrophobicContact CG-CE 3.99Å; E28-M32 WeakPolarHBondContact O-CG 3.27Å; E28-M32 PolarHBondContact O-N 2.84Å; E28-M32 WeakPolarHBondContact OE1-CE 3.46Å; Q30-M32 VanDerWaalsContact C-N 3.32Å; Q30-M32 PolarHBondContact O-N 2.85Å; M32-E34 VanDerWaalsContact C-N 3.35Å; M32-E34 PolarHBondContact O-N 2.75Å; M32-F35 PolarHBondContact O-N 2.93Å; M32-I36 WeakPolarHBondContact O-CB 3.34Å; M32-I36 WeakPolarHBondContact O-CD1 3.49Å; M32-I36 WeakPolarHBondContact O-CG1 3.19Å; M32-I36 PolarHBondContact O-N 2.6Å; M32-I66 HydrophobicContact CB-CD1 3.95Å; M32-I66 HydrophobicContact SD-CD1 3.8Å; M32-I66 HydrophobicContact SD-CG1 3.87Å; M32-V142 HydrophobicContact CE-CG1 4.09Å; M32-V142 HydrophobicContact SD-CG1 3.89Å; M32-Q143 HydrophobicContact CE-CG 3.62Å; M32-I171 HydrophobicContact CE-CG2 4.12Å; M32-I171 HydrophobicContact CG-CD1 4.38Å; M32-I171 HydrophobicContact SD-CD1 4.48Å; M32-L285 HydrophobicContact CE-CD1 3.52Å; M32-L285 HydrophobicContact CG-CD1 4.06Å |
| 33 | Q | 97.3 | Very high | 97.2 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 177.1 | -178.9 | 178.6 | -20 | 0 | 0 | 111.4 | H29 Q30 F35 I36 E37 L69 | H29-Q33 VanDerWaalsContact O-CB 3.28Å; H29-Q33 WeakPolarHBondContact O-CB 3.35Å; H29-Q33 PolarHBondContact O-N 2.79Å; Q30-Q33 WeakPolarHBondContact O-CB 3.38Å; Q30-Q33 PolarHBondContact O-N 3.46Å; Q30-Q33 VanDerWaalsContact O-N 3.16Å; Q33-F35 VanDerWaalsContact C-N 3.35Å; Q33-F35 PolarHBondContact O-N 2.88Å; Q33-I36 PolarHBondContact O-N 2.95Å; Q33-I36 VanDerWaalsContact O-N 3.15Å; Q33-E37 HydrophobicContact CG-CG 4.34Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.46Å; Q33-E37 PolarHBondContact NE2-OE1 2.91Å; Q33-E37 WeakPolarHBondContact O-CB 3.13Å; Q33-E37 WeakPolarHBondContact O-CG 3.35Å; Q33-E37 PolarHBondContact O-N 3.09Å; Q33-L69 HydrophobicContact CB-CD1 4.29Å; Q33-L69 HydrophobicContact CG-CD1 4.29Å |
| 34 | E | 97.9 | Very high | 97.4 | Very high | 84 Ų | 84 | 47.8 Ų | 47.8 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 176.6 | -72.7 | 173.9 | -164.8 | 0 | 0 | 111.6 | Q30 C31 M32 E37 Q38 | Q30-E34 PolarHBondContact NE2-OE1 3.02Å; Q30-E34 WeakPolarHBondContact O-CG 3.22Å; Q30-E34 PolarHBondContact O-N 3.42Å; C31-E34 PolarHBondContact O-N 2.72Å; M32-E34 VanDerWaalsContact C-N 3.35Å; M32-E34 PolarHBondContact O-N 2.75Å; E34-E37 PolarHBondContact O-N 3.31Å; E34-Q38 WeakPolarHBondContact O-CB 3.17Å; E34-Q38 WeakPolarHBondContact O-CG 3.43Å; E34-Q38 PolarHBondContact O-N 3.37Å |
| 35 | F | 98.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 173.4 | 172.6 | -89.8 | 0 | 0 | 0 | 112.1 | C31 M32 Q33 E37 Q38 Q39 L40 V43 L169 Y218 L220 V287 | C31-F35 PolarHBondContact O-N 2.9Å; C31-F35 VanDerWaalsContact O-N 3.09Å; M32-F35 PolarHBondContact O-N 2.93Å; Q33-F35 VanDerWaalsContact C-N 3.35Å; Q33-F35 PolarHBondContact O-N 2.88Å; F35-E37 VanDerWaalsContact C-N 3.27Å; F35-E37 PolarHBondContact O-N 2.87Å; F35-Q38 PolarHBondContact O-N 3.27Å; F35-Q39 HydrophobicContact CD2-CB 3.61Å; F35-Q39 HydrophobicContact CD2-CG 3.91Å; F35-Q39 HydrophobicContact CE2-CB 3.5Å; F35-Q39 HydrophobicContact CE2-CG 4.17Å; F35-Q39 HydrophobicContact CG-CB 4.31Å; F35-Q39 HydrophobicContact CZ-CB 4.11Å; F35-Q39 WeakPolarHBondContact O-CA 3.29Å; F35-Q39 WeakPolarHBondContact O-CB 3.49Å; F35-Q39 PolarHBondContact O-N 2.84Å; F35-L40 HydrophobicContact CE1-CB 4.13Å; F35-L40 HydrophobicContact CE1-CD1 4.24Å; F35-L40 PolarHBondContact O-N 3.45Å; F35-V43 HydrophobicContact CZ-CG2 4.39Å; F35-L169 HydrophobicContact CE1-CD1 3.86Å; F35-L169 HydrophobicContact CZ-CD1 4.22Å; F35-Y218 HydrophobicContact CD2-CG 4.44Å; F35-Y218 HydrophobicContact CE2-CD1 4.09Å; F35-Y218 AromaticContact CE2-CD2 3.9Å; F35-Y218 HydrophobicContact CE2-CD2 3.9Å; F35-Y218 HydrophobicContact CE2-CE1 4.5Å; F35-Y218 HydrophobicContact CE2-CE2 4.34Å; F35-Y218 AromaticContact CE2-CG 3.76Å; F35-Y218 HydrophobicContact CE2-CG 3.76Å; F35-Y218 HydrophobicContact CZ-CD2 4.5Å; F35-L220 HydrophobicContact CB-CD2 3.78Å; F35-L220 HydrophobicContact CB-CG 4.2Å; F35-L220 HydrophobicContact CD2-CD1 4.2Å; F35-L220 HydrophobicContact CG-CD2 4.35Å; F35-V287 HydrophobicContact CD1-CG2 3.99Å; F35-V287 HydrophobicContact CD2-CB 4.29Å; F35-V287 HydrophobicContact CD2-CG2 3.92Å; F35-V287 HydrophobicContact CE1-CB 4.43Å; F35-V287 HydrophobicContact CE1-CG1 3.84Å; F35-V287 HydrophobicContact CE1-CG2 4.14Å; F35-V287 HydrophobicContact CE2-CB 3.95Å; F35-V287 HydrophobicContact CE2-CG1 3.93Å; F35-V287 HydrophobicContact CE2-CG2 4.05Å; F35-V287 HydrophobicContact CG-CG2 3.9Å; F35-V287 HydrophobicContact CZ-CB 4.04Å; F35-V287 HydrophobicContact CZ-CG1 3.51Å; F35-V287 HydrophobicContact CZ-CG2 4.17Å |
| 36 | I | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -34.6 | -179.7 | -69.4 | 163.8 | 0 | 0 | 0 | 111.3 | M32 Q33 L40 P41 I66 L69 M70 K73 | M32-I36 WeakPolarHBondContact O-CB 3.34Å; M32-I36 WeakPolarHBondContact O-CD1 3.49Å; M32-I36 WeakPolarHBondContact O-CG1 3.19Å; M32-I36 PolarHBondContact O-N 2.6Å; Q33-I36 PolarHBondContact O-N 2.95Å; Q33-I36 VanDerWaalsContact O-N 3.15Å; I36-L40 HydrophobicContact CB-CD2 4.39Å; I36-L40 HydrophobicContact CG1-CD2 4.26Å; I36-L40 HydrophobicContact CG2-CD2 3.89Å; I36-P41 WeakPolarHBondContact O-CD 3.37Å; I36-I66 HydrophobicContact CD1-CG2 3.86Å; I36-L69 HydrophobicContact CD1-CB 4.04Å; I36-L69 HydrophobicContact CD1-CD1 4.42Å; I36-L69 HydrophobicContact CG2-CB 4.06Å; I36-M70 HydrophobicContact CD1-CG 3.9Å; I36-M70 HydrophobicContact CG1-CG 4.05Å; I36-K73 HydrophobicContact CG2-CD 4.46Å; I36-K73 HydrophobicContact CG2-CG 3.69Å; I36-K73 WeakPolarHBondContact O-CE 3.33Å; I36-K73 WeakPolarHBondContact O-CG 3.21Å |
| 37 | E | 97.6 | Very high | 97.4 | Very high | 91 Ų | 91 | 41.3 Ų | 41.3 | 43% | 0.425 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -76 | -41.8 | 178.2 | -73.4 | 178 | -178.8 | 0 | 0 | 112.7 | Q33 E34 F35 | Q33-E37 HydrophobicContact CG-CG 4.34Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.46Å; Q33-E37 PolarHBondContact NE2-OE1 2.91Å; Q33-E37 WeakPolarHBondContact O-CB 3.13Å; Q33-E37 WeakPolarHBondContact O-CG 3.35Å; Q33-E37 PolarHBondContact O-N 3.09Å; E34-E37 PolarHBondContact O-N 3.31Å; F35-E37 VanDerWaalsContact C-N 3.27Å; F35-E37 PolarHBondContact O-N 2.87Å |
| 38 | Q | 97.1 | Very high | 97.4 | Very high | 134 Ų | 134 | 40.6 Ų | 40.6 | 63% | 0.626 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -98.4 | -37.5 | -167.7 | -61.2 | 178.8 | 18.5 | 0 | 0 | 113.8 | E34 F35 | E34-Q38 WeakPolarHBondContact O-CB 3.17Å; E34-Q38 WeakPolarHBondContact O-CG 3.43Å; E34-Q38 PolarHBondContact O-N 3.37Å; F35-Q38 PolarHBondContact O-N 3.27Å |
| 39 | Q | 98.1 | Very high | 97.3 | Very high | 82 Ų | 82 | 43.9 Ų | 43.9 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -40.9 | -168.6 | -56.8 | -58.6 | -31.4 | 0 | 0 | 112.6 | F35 P41 G42 V43 Y218 | F35-Q39 HydrophobicContact CD2-CB 3.61Å; F35-Q39 HydrophobicContact CD2-CG 3.91Å; F35-Q39 HydrophobicContact CE2-CB 3.5Å; F35-Q39 HydrophobicContact CE2-CG 4.17Å; F35-Q39 HydrophobicContact CG-CB 4.31Å; F35-Q39 HydrophobicContact CZ-CB 4.11Å; F35-Q39 WeakPolarHBondContact O-CA 3.29Å; F35-Q39 WeakPolarHBondContact O-CB 3.49Å; F35-Q39 PolarHBondContact O-N 2.84Å; Q39-P41 VanDerWaalsContact C-N 3.34Å; Q39-G42 PolarHBondContact O-N 3.09Å; Q39-V43 PolarHBondContact O-N 3.41Å; Q39-Y218 HydrophobicContact CB-CE1 4.49Å; Q39-Y218 HydrophobicContact CG-CD1 4.48Å |
| 40 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.4 | -39.9 | -177.3 | -174.2 | 71.7 | 0 | 0 | 0 | 113.8 | F35 I36 G42 V43 I44 M70 K73 F138 L169 | F35-L40 HydrophobicContact CE1-CB 4.13Å; F35-L40 HydrophobicContact CE1-CD1 4.24Å; F35-L40 PolarHBondContact O-N 3.45Å; I36-L40 HydrophobicContact CB-CD2 4.39Å; I36-L40 HydrophobicContact CG1-CD2 4.26Å; I36-L40 HydrophobicContact CG2-CD2 3.89Å; L40-G42 PolarHBondContact O-N 3.09Å; L40-G42 VanDerWaalsContact O-N 3.15Å; L40-V43 HydrophobicContact CD1-CB 4.34Å; L40-V43 HydrophobicContact CD1-CG1 4.41Å; L40-V43 WeakPolarHBondContact O-CA 3.28Å; L40-V43 WeakPolarHBondContact O-CB 3.48Å; L40-V43 PolarHBondContact O-N 3.09Å; L40-I44 HydrophobicContact CD1-CG2 3.73Å; L40-I44 HydrophobicContact CG-CD1 4.32Å; L40-I44 HydrophobicContact CG-CG2 4.01Å; L40-I44 WeakPolarHBondContact O-CG1 3.19Å; L40-I44 PolarHBondContact O-N 3.36Å; L40-M70 HydrophobicContact CD2-CB 3.92Å; L40-M70 HydrophobicContact CD2-CG 3.67Å; L40-K73 HydrophobicContact CD2-CB 4.18Å; L40-K73 HydrophobicContact CD2-CG 4.21Å; L40-F138 HydrophobicContact CD1-CZ 4.15Å; L40-L169 HydrophobicContact CD1-CD1 3.94Å |
| 41 | P | 98.3 | Very high | 97.2 | Very high | 49 Ų | 49 | 43.1 Ų | 43.1 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.4 | -32.4 | 178.2 | -27.2 | 36.7 | 0 | 0 | 0 | 114 | I36 Q39 S45 | I36-P41 WeakPolarHBondContact O-CD 3.37Å; Q39-P41 VanDerWaalsContact C-N 3.34Å; P41-S45 WeakPolarHBondContact O-CB 3.33Å; P41-S45 PolarHBondContact O-N 2.97Å |
| 42 | G | 98.1 | Very high | 97.1 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 53% | 0.526 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.7 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q39 L40 I44 S45 | Q39-G42 PolarHBondContact O-N 3.09Å; L40-G42 PolarHBondContact O-N 3.09Å; L40-G42 VanDerWaalsContact O-N 3.15Å; G42-I44 PolarHBondContact O-N 3.36Å; G42-S45 WeakPolarHBondContact O-CB 3.42Å; G42-S45 PolarHBondContact O-N 2.99Å; G42-S45 PolarHBondContact O-OG 2.98Å |
| 43 | V | 98.1 | Very high | 97.2 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | F35 Q39 L40 S45 K167 V289 | F35-V43 HydrophobicContact CZ-CG2 4.39Å; Q39-V43 PolarHBondContact O-N 3.41Å; L40-V43 HydrophobicContact CD1-CB 4.34Å; L40-V43 HydrophobicContact CD1-CG1 4.41Å; L40-V43 WeakPolarHBondContact O-CA 3.28Å; L40-V43 WeakPolarHBondContact O-CB 3.48Å; L40-V43 PolarHBondContact O-N 3.09Å; V43-S45 VanDerWaalsContact C-N 3.27Å; V43-S45 PolarHBondContact O-N 2.67Å; V43-K167 HydrophobicContact CG1-CB 4.4Å; V43-K167 HydrophobicContact CG1-CG 4.09Å; V43-V289 HydrophobicContact CG1-CG1 3.7Å; V43-V289 HydrophobicContact CG1-CG2 3.97Å; V43-V289 HydrophobicContact CG2-CG2 4.01Å |
| 44 | I | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 8.9 | -177.4 | 69.9 | -178.3 | 0 | 0 | 0 | 113 | L40 G42 S46 I47 K73 V74 Y78 F138 | L40-I44 HydrophobicContact CD1-CG2 3.73Å; L40-I44 HydrophobicContact CG-CD1 4.32Å; L40-I44 HydrophobicContact CG-CG2 4.01Å; L40-I44 WeakPolarHBondContact O-CG1 3.19Å; L40-I44 PolarHBondContact O-N 3.36Å; G42-I44 PolarHBondContact O-N 3.36Å; I44-S46 PolarHBondContact O-N 3.1Å; I44-S46 VanDerWaalsContact O-N 3.09Å; I44-I47 HydrophobicContact CB-CD1 3.88Å; I44-I47 HydrophobicContact CB-CG1 4.2Å; I44-I47 HydrophobicContact CB-CG2 4.46Å; I44-I47 HydrophobicContact CG2-CD1 4.17Å; I44-I47 WeakPolarHBondContact O-CG1 3.43Å; I44-I47 PolarHBondContact O-N 3.37Å; I44-K73 HydrophobicContact CD1-CB 3.88Å; I44-V74 HydrophobicContact CD1-CB 4.36Å; I44-V74 HydrophobicContact CD1-CG2 3.73Å; I44-Y78 WeakPolarHBondContact O-CE2 3.48Å; I44-Y78 PolarHBondContact O-OH 3.33Å; I44-F138 HydrophobicContact CG2-CD2 4.48Å; I44-F138 HydrophobicContact CG2-CE2 4.35Å |
| 45 | S | 97.6 | Very high | 97.3 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 34% | 0.343 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -20.9 | -168.7 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | P41 G42 V43 R77 Y78 | P41-S45 WeakPolarHBondContact O-CB 3.33Å; P41-S45 PolarHBondContact O-N 2.97Å; G42-S45 WeakPolarHBondContact O-CB 3.42Å; G42-S45 PolarHBondContact O-N 2.99Å; G42-S45 PolarHBondContact O-OG 2.98Å; V43-S45 VanDerWaalsContact C-N 3.27Å; V43-S45 PolarHBondContact O-N 2.67Å; S45-R77 PolarHBondContact O-NE 3.01Å; S45-R77 PolarHBondContact O-NH2 3.41Å; S45-Y78 PolarHBondContact O-OH 2.65Å |
| 46 | S | 96.7 | Very high | 97.3 | Very high | 27 Ų | 27 | 43 Ų | 43 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -11.2 | -177.5 | 60.1 | 0 | 0 | 0 | 0 | 115.6 | I44 G48 N49 Y78 Q165 | I44-S46 PolarHBondContact O-N 3.1Å; I44-S46 VanDerWaalsContact O-N 3.09Å; S46-G48 PolarHBondContact O-N 3.28Å; S46-G48 VanDerWaalsContact O-N 3.12Å; S46-N49 PolarHBondContact O-N 3.45Å; S46-Y78 VanDerWaalsContact C-OH 3.22Å; S46-Y78 WeakPolarHBondContact CA-OH 3.09Å; S46-Y78 PolarHBondContact N-OH 2.98Å; S46-Q165 PolarHBondContact O-OE1 3.45Å |
| 47 | I | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.9 | -167 | 68.1 | 171.6 | 0 | 0 | 0 | 113.4 | I44 I54 V74 Y78 D137 F138 K167 | I44-I47 HydrophobicContact CB-CD1 3.88Å; I44-I47 HydrophobicContact CB-CG1 4.2Å; I44-I47 HydrophobicContact CB-CG2 4.46Å; I44-I47 HydrophobicContact CG2-CD1 4.17Å; I44-I47 WeakPolarHBondContact O-CG1 3.43Å; I44-I47 PolarHBondContact O-N 3.37Å; I47-I54 HydrophobicContact CD1-CG2 4.15Å; I47-V74 HydrophobicContact CD1-CG2 4.37Å; I47-Y78 HydrophobicContact CG1-CE2 3.8Å; I47-Y78 PolarHBondContact N-OH 3.2Å; I47-D137 HydrophobicContact CB-CB 4.39Å; I47-D137 WeakPolarHBondContact CB-O 3.33Å; I47-D137 WeakPolarHBondContact CG2-O 3.27Å; I47-F138 HydrophobicContact CD1-CB 3.9Å; I47-F138 HydrophobicContact CD1-CG 4.46Å; I47-K167 HydrophobicContact CG2-CG 4.04Å |
| 48 | G | 96.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 9.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S46 G50 K51 Y78 | S46-G48 PolarHBondContact O-N 3.28Å; S46-G48 VanDerWaalsContact O-N 3.12Å; G48-G50 PolarHBondContact O-N 3.35Å; G48-G50 VanDerWaalsContact O-N 3.15Å; G48-K51 PolarHBondContact O-N 3.4Å; G48-K51 VanDerWaalsContact O-N 3.07Å; G48-Y78 VanDerWaalsContact N-CZ 3.32Å; G48-Y78 PolarHBondContact N-OH 2.99Å; G48-Y78 VanDerWaalsContact N-OH 3.09Å |
| 49 | N | 94 | Very high | 97.5 | Very high | 76 Ų | 76 | 32.1 Ų | 32.1 | 41% | 0.406 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 120.5 | -174.8 | -76.5 | -9.8 | 0 | 0 | 0 | 111.7 | S46 K51 | S46-N49 PolarHBondContact O-N 3.45Å; N49-K51 PolarHBondContact O-N 3.1Å |
| 50 | G | 91.8 | Very high | 97.5 | Very high | 95 Ų | 95 | 29 Ų | 29 | 98% | 0.979 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | G48 | G48-G50 PolarHBondContact O-N 3.35Å; G48-G50 VanDerWaalsContact O-N 3.15Å |
| 51 | K | 96.2 | Very high | 97.4 | Very high | 55 Ų | 55 | 29.4 Ų | 29.4 | 24% | 0.239 | 21% | 0.214 | C | C | . | . | trans | -97.5 | 138.1 | -178.5 | -61.8 | -175.2 | 176.6 | 170.9 | 0 | 111.4 | G48 N49 T53 D137 | G48-K51 PolarHBondContact O-N 3.4Å; G48-K51 VanDerWaalsContact O-N 3.07Å; N49-K51 PolarHBondContact O-N 3.1Å; K51-T53 VanDerWaalsContact C-N 3.33Å; K51-T53 WeakPolarHBondContact CB-O 3.48Å; K51-D137 IonicContact NZ-OD1 2.76Å; K51-D137 PolarHBondContact NZ-OD1 3.07Å | ||
| 52 | S | 96.4 | Very high | 97.2 | Very high | 100 Ų | 100 | 27.5 Ų | 27.5 | 70% | 0.699 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -83.8 | -13.3 | 169.5 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | T82 | S52-T82 PolarHBondContact O-N 3.14Š|
| 53 | T | 98.1 | Very high | 97.1 | Very high | 42 Ų | 42 | 26 Ų | 26 | 26% | 0.258 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 136.6 | 178.8 | -60.4 | 0 | 0 | 0 | 0 | 110 | K51 T82 N84 | K51-T53 VanDerWaalsContact C-N 3.33Å; K51-T53 WeakPolarHBondContact CB-O 3.48Å; T53-T82 CarbonylContact C-O 3.54Å; T53-T82 VanDerWaalsContact CA-O 3.22Å; T53-T82 WeakPolarHBondContact CA-O 3.45Å; T53-T82 HydrophobicContact CG2-CG2 4.41Å; T53-N84 VanDerWaalsContact CG2-ND2 3.27Å; T53-N84 WeakPolarHBondContact CG2-ND2 3.43Å |
| 54 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.5 | 174.3 | -64 | 167.6 | 0 | 0 | 0 | 108.1 | I47 I56 V74 Y78 V81 T82 I83 N84 D137 | I47-I54 HydrophobicContact CD1-CG2 4.15Å; I54-I56 HydrophobicContact CG2-CD1 4.23Å; I54-I56 HydrophobicContact CG2-CG1 3.92Å; I54-V74 HydrophobicContact CD1-CG1 3.88Å; I54-V74 HydrophobicContact CG2-CG1 4.23Å; I54-Y78 HydrophobicContact CD1-CD1 4.33Å; I54-Y78 HydrophobicContact CD1-CD2 3.39Å; I54-Y78 HydrophobicContact CD1-CE2 4.01Å; I54-Y78 HydrophobicContact CD1-CG 3.57Å; I54-V81 HydrophobicContact CD1-CB 4.5Å; I54-V81 HydrophobicContact CD1-CG1 3.89Å; I54-V81 HydrophobicContact CG1-CG1 3.82Å; I54-T82 PolarHBondContact N-O 2.98Å; I54-I83 CarbonylContact O-C 3.51Å; I54-I83 WeakPolarHBondContact O-CA 3.46Å; I54-N84 PolarHBondContact O-N 3.36Å; I54-D137 VanDerWaalsContact CA-OD2 3.3Å; I54-D137 WeakPolarHBondContact CA-OD2 3.29Å; I54-D137 HydrophobicContact CG2-CB 3.9Å |
| 55 | N | 98.7 | Very high | 97 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.3 | 177.3 | -57.9 | -70.7 | 0 | 0 | 0 | 109.8 | N84 W136 D137 F138 | N55-N84 WeakPolarHBondContact CA-O 3.34Å; N55-N84 WeakPolarHBondContact OD1-CB 3.49Å; N55-N84 PolarHBondContact OD1-ND2 2.81Å; N55-W136 HydrophobicContact CB-CD2 4.49Å; N55-W136 HydrophobicContact CB-CE3 3.69Å; N55-W136 HydrophobicContact CB-CZ3 4.12Å; N55-D137 PolarHBondContact N-OD2 2.61Å; N55-D137 WeakPolarHBondContact O-CB 3.19Å; N55-D137 PolarHBondContact O-N 2.93Å; N55-F138 PolarHBondContact O-N 3.05Å |
| 56 | I | 98.9 | Very high | 97 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.4 | -179.1 | -56.4 | -177.3 | 0 | 0 | 0 | 109.4 | I54 L71 V74 I83 N84 N85 E86 W136 F138 | I54-I56 HydrophobicContact CG2-CD1 4.23Å; I54-I56 HydrophobicContact CG2-CG1 3.92Å; I56-L71 HydrophobicContact CD1-CD2 3.64Å; I56-V74 HydrophobicContact CD1-CB 4.36Å; I56-V74 HydrophobicContact CD1-CG1 4.15Å; I56-V74 HydrophobicContact CD1-CG2 3.88Å; I56-I83 HydrophobicContact CD1-CG2 3.73Å; I56-I83 HydrophobicContact CG1-CG2 4.14Å; I56-N84 PolarHBondContact N-O 3.22Å; I56-N85 WeakPolarHBondContact O-CA 3.43Å; I56-E86 PolarHBondContact O-N 3.06Å; I56-W136 VanDerWaalsContact C-CE3 3.42Å; I56-W136 WeakPolarHBondContact O-CZ3 3.42Å; I56-F138 CarbonylContact C-O 3.57Å; I56-F138 VanDerWaalsContact CA-O 3.27Å; I56-F138 WeakPolarHBondContact CA-O 3.47Å; I56-F138 HydrophobicContact CG1-CB 4.18Å; I56-F138 HydrophobicContact CG2-CB 4.41Å; I56-F138 HydrophobicContact CG2-CD1 3.89Å |
| 57 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 115.1 | 174 | -171.6 | 61 | 0 | 0 | 0 | 110.5 | V59 E86 I88 Y123 W136 F138 I139 H140 F158 | L57-V59 HydrophobicContact CD2-CG2 4.47Å; L57-V59 HydrophobicContact CG-CG2 4.24Å; L57-E86 WeakPolarHBondContact CA-O 3.41Å; L57-E86 HydrophobicContact CD1-CB 4.01Å; L57-I88 HydrophobicContact CD1-CD1 3.9Å; L57-I88 HydrophobicContact CD1-CG1 4.06Å; L57-I88 HydrophobicContact CD2-CD1 4.19Å; L57-I88 HydrophobicContact CG-CD1 4.23Å; L57-Y123 HydrophobicContact CD2-CE1 4.28Å; L57-W136 HydrophobicContact CB-CD2 3.63Å; L57-W136 HydrophobicContact CB-CE3 3.64Å; L57-W136 HydrophobicContact CB-CG 4.07Å; L57-W136 HydrophobicContact CB-CH2 4.22Å; L57-W136 HydrophobicContact CB-CZ2 4.27Å; L57-W136 HydrophobicContact CB-CZ3 3.95Å; L57-W136 HydrophobicContact CD1-CH2 3.85Å; L57-W136 HydrophobicContact CD1-CZ2 3.89Å; L57-W136 HydrophobicContact CD1-CZ3 4.34Å; L57-W136 HydrophobicContact CD2-CD2 4.28Å; L57-W136 HydrophobicContact CD2-CG 4.5Å; L57-W136 HydrophobicContact CD2-CZ2 4.15Å; L57-W136 HydrophobicContact CG-CD2 4.45Å; L57-W136 HydrophobicContact CG-CZ2 4.34Å; L57-F138 PolarHBondContact N-O 3.44Å; L57-I139 HydrophobicContact CB-CG1 4.14Å; L57-I139 HydrophobicContact CB-CG2 4.28Å; L57-I139 HydrophobicContact CD2-CG2 4.47Å; L57-I139 VanDerWaalsContact O-CA 3.31Å; L57-I139 WeakPolarHBondContact O-CA 3.25Å; L57-H140 PolarHBondContact O-N 3.47Å; L57-F158 HydrophobicContact CD2-CD1 3.82Å; L57-F158 HydrophobicContact CD2-CE1 3.63Å |
| 58 | S | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 114 | 172 | 174.6 | 0 | 0 | 0 | 0 | 109.3 | G61 D67 E86 V87 I88 H140 | S58-G61 WeakPolarHBondContact OG-CA 3.4Å; S58-D67 WeakPolarHBondContact CB-OD1 3.13Å; S58-D67 PolarHBondContact OG-OD1 3.5Å; S58-D67 PolarHBondContact OG-OD2 3.32Å; S58-E86 PolarHBondContact N-O 3.38Å; S58-V87 CarbonylContact O-C 3.45Å; S58-V87 WeakPolarHBondContact O-CA 3.46Å; S58-I88 PolarHBondContact O-N 2.83Å; S58-H140 VanDerWaalsContact CA-CE1 3.48Å; S58-H140 WeakPolarHBondContact CA-CE1 3.2Å; S58-H140 WeakPolarHBondContact CB-CE1 3.4Å; S58-H140 WeakPolarHBondContact CB-NE2 3.27Å; S58-H140 PolarHBondContact OG-CE1 3.35Å |
| 59 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.3 | 175.4 | -159.2 | 0 | 0 | 0 | 0 | 107.9 | L57 I88 A120 I139 H140 M141 M144 F158 | L57-V59 HydrophobicContact CD2-CG2 4.47Å; L57-V59 HydrophobicContact CG-CG2 4.24Å; V59-I88 HydrophobicContact CG1-CB 4.34Å; V59-I88 HydrophobicContact CG1-CD1 4.21Å; V59-I88 HydrophobicContact CG2-CD1 4.29Å; V59-A120 HydrophobicContact CG1-CB 3.8Å; V59-I139 HydrophobicContact CG2-CG2 4Å; V59-H140 PolarHBondContact N-O 2.83Å; V59-M141 HydrophobicContact CB-CG 4.02Å; V59-M141 HydrophobicContact CG2-CE 4.3Å; V59-M141 HydrophobicContact CG2-CG 4.15Å; V59-M144 HydrophobicContact CB-CE 4.15Å; V59-M144 HydrophobicContact CG1-CE 3.44Å; V59-M144 VanDerWaalsContact CG1-CE 3.44Å; V59-M144 HydrophobicContact CG1-SD 4.34Å; V59-M144 WeakPolarHBondContact O-CG 3.48Å; V59-F158 HydrophobicContact CG1-CE2 4.24Å; V59-F158 HydrophobicContact CG1-CZ 3.91Å; V59-F158 HydrophobicContact CG2-CD1 4.06Å; V59-F158 HydrophobicContact CG2-CE1 3.72Å; V59-F158 HydrophobicContact CG2-CE2 4.46Å; V59-F158 HydrophobicContact CG2-CZ 3.94Å |
| 60 | G | 97.7 | Very high | 97.4 | Very high | 18 Ų | 18 | 26.3 Ų | 26.3 | 19% | 0.186 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 71 | 42.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | G62 I88 | G60-G62 PolarHBondContact O-N 3.17Å; G60-G62 VanDerWaalsContact O-N 3.1Å; G60-I88 WeakPolarHBondContact CA-O 3.5Å; G60-I88 PolarHBondContact N-O 3.24Å |
| 61 | G | 97.1 | Very high | 97.7 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 7% | 0.072 | 13% | 0.132 | C | C | . | . | trans | -65.7 | -10.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S58 A63 G64 | S58-G61 WeakPolarHBondContact OG-CA 3.4Å; G61-A63 PolarHBondContact O-N 2.94Å; G61-G64 PolarHBondContact O-N 3.36Å | ||
| 62 | G | 95.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 10% | 0.103 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | -132.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G60 G64 E89 Q94 Y98 | G60-G62 PolarHBondContact O-N 3.17Å; G60-G62 VanDerWaalsContact O-N 3.1Å; G62-G64 VanDerWaalsContact C-N 3.3Å; G62-E89 WeakPolarHBondContact CA-OE2 3.42Å; G62-E89 PolarHBondContact N-OE2 2.86Å; G62-Q94 CarbonylContact O-C 3.54Å; G62-Y98 WeakPolarHBondContact O-CD1 3.44Å |
| 63 | A | 95.9 | Very high | 97.9 | Very high | 19 Ų | 19 | 19.1 Ų | 19.1 | 16% | 0.157 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 8.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G61 E65 Y98 R101 | G61-A63 PolarHBondContact O-N 2.94Å; A63-E65 PolarHBondContact O-N 2.97Å; A63-Y98 WeakPolarHBondContact O-CA 3.26Å; A63-R101 PolarHBondContact O-NE 3.15Å; A63-R101 VanDerWaalsContact O-NE 3.1Å |
| 64 | G | 97.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 76.1 | 11.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | G61 G62 L68 Y98 | G61-G64 PolarHBondContact O-N 3.36Å; G62-G64 VanDerWaalsContact C-N 3.3Å; G64-L68 WeakPolarHBondContact O-CB 3.36Å; G64-L68 VanDerWaalsContact O-CG 3.29Å; G64-L68 WeakPolarHBondContact O-CG 3.35Å; G64-L68 PolarHBondContact O-N 3.1Å; G64-L68 VanDerWaalsContact O-N 3.1Å; G64-Y98 VanDerWaalsContact CA-CD1 3.4Å |
| 65 | E | 95.6 | Very high | 97.9 | Very high | 74 Ų | 74 | 18.8 Ų | 18.8 | 35% | 0.346 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -62.1 | -54.4 | 179.6 | -75.2 | 176.2 | 153 | 0 | 0 | 111.9 | H29 A63 L69 R101 | H29-E65 IonicContact CE1-OE2 3.78Å; H29-E65 PolarHBondContact CE1-OE2 2.6Å; H29-E65 IonicContact ND1-OE2 3.84Å; H29-E65 PolarHBondContact ND1-OE2 2.8Å; A63-E65 PolarHBondContact O-N 2.97Å; E65-L69 WeakPolarHBondContact O-CG 3.3Å; E65-L69 PolarHBondContact O-N 3.36Å; E65-R101 VanDerWaalsContact CD-NH2 3.27Å; E65-R101 IonicContact OE1-CZ 2.6Å; E65-R101 VanDerWaalsContact OE1-CZ 3.26Å; E65-R101 IonicContact OE1-NH1 3.34Å; E65-R101 PolarHBondContact OE1-NH1 2.96Å; E65-R101 IonicContact OE1-NH2 3.09Å; E65-R101 PolarHBondContact OE1-NH2 3.05Å |
| 66 | I | 97 | Very high | 97.8 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 6% | 0.062 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.6 | -39.9 | -178.6 | -59.9 | -56.3 | 0 | 0 | 0 | 110.9 | M32 I36 L68 L69 M70 V142 | M32-I66 HydrophobicContact CB-CD1 3.95Å; M32-I66 HydrophobicContact SD-CD1 3.8Å; M32-I66 HydrophobicContact SD-CG1 3.87Å; I36-I66 HydrophobicContact CD1-CG2 3.86Å; I66-L68 PolarHBondContact O-N 3.07Å; I66-L69 HydrophobicContact CD1-CD1 4.34Å; I66-L69 WeakPolarHBondContact O-CB 3.06Å; I66-L69 PolarHBondContact O-N 3.15Å; I66-M70 HydrophobicContact CG2-CE 3.91Å; I66-M70 HydrophobicContact CG2-SD 4.47Å; I66-M70 WeakPolarHBondContact O-CG 3.4Å; I66-M70 PolarHBondContact O-N 2.82Å; I66-V142 HydrophobicContact CG2-CG1 4.37Å; I66-V142 HydrophobicContact CG2-CG2 4.22Å |
| 67 | D | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.5 | -51.1 | 174.8 | -69.7 | -138.4 | 0 | 0 | 0 | 112.7 | S58 L69 M70 L71 Y98 H140 | S58-D67 WeakPolarHBondContact CB-OD1 3.13Å; S58-D67 PolarHBondContact OG-OD1 3.5Å; S58-D67 PolarHBondContact OG-OD2 3.32Å; D67-L69 VanDerWaalsContact C-N 3.27Å; D67-L69 PolarHBondContact O-N 3.28Å; D67-M70 PolarHBondContact O-N 2.78Å; D67-M70 VanDerWaalsContact O-N 3.14Å; D67-L71 WeakPolarHBondContact O-CB 3.47Å; D67-L71 VanDerWaalsContact O-CG 3.25Å; D67-L71 WeakPolarHBondContact O-CG 3.27Å; D67-L71 PolarHBondContact O-N 3.08Å; D67-Y98 HydrophobicContact CB-CE1 4.14Å; D67-Y98 WeakPolarHBondContact CB-OH 3.38Å; D67-Y98 VanDerWaalsContact CG-OH 3.23Å; D67-Y98 WeakPolarHBondContact OD1-CE1 3.48Å; D67-Y98 PolarHBondContact OD1-OH 3.2Å; D67-H140 IonicContact OD1-CE1 2.68Å; D67-H140 IonicContact OD1-NE2 2.61Å; D67-H140 IonicContact OD2-CE1 3.4Å |
| 68 | L | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -33.4 | -178.6 | -70.7 | 179.9 | 0 | 0 | 0 | 111.9 | G64 I66 L71 S72 Y98 R101 V102 T105 L108 F113 | G64-L68 WeakPolarHBondContact O-CB 3.36Å; G64-L68 VanDerWaalsContact O-CG 3.29Å; G64-L68 WeakPolarHBondContact O-CG 3.35Å; G64-L68 PolarHBondContact O-N 3.1Å; G64-L68 VanDerWaalsContact O-N 3.1Å; I66-L68 PolarHBondContact O-N 3.07Å; L68-L71 HydrophobicContact CD2-CD1 4.07Å; L68-S72 WeakPolarHBondContact O-CB 2.95Å; L68-S72 PolarHBondContact O-N 3.32Å; L68-Y98 HydrophobicContact CG-CE2 4.48Å; L68-R101 HydrophobicContact CD1-CB 4.44Å; L68-R101 HydrophobicContact CD1-CG 3.59Å; L68-V102 HydrophobicContact CD2-CG2 4.36Å; L68-T105 HydrophobicContact CD1-CG2 4.48Å; L68-L108 HydrophobicContact CD2-CD1 4.04Å; L68-L108 HydrophobicContact CD2-CD2 4.19Å; L68-F113 HydrophobicContact CD2-CE1 4.27Å; L68-F113 HydrophobicContact CD2-CZ 3.89Å |
| 69 | L | 97.9 | Very high | 97.5 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 172.1 | -68.7 | 176.2 | 0 | 0 | 0 | 111.1 | Q33 I36 E65 I66 D67 S72 K73 | Q33-L69 HydrophobicContact CB-CD1 4.29Å; Q33-L69 HydrophobicContact CG-CD1 4.29Å; I36-L69 HydrophobicContact CD1-CB 4.04Å; I36-L69 HydrophobicContact CD1-CD1 4.42Å; I36-L69 HydrophobicContact CG2-CB 4.06Å; E65-L69 WeakPolarHBondContact O-CG 3.3Å; E65-L69 PolarHBondContact O-N 3.36Å; I66-L69 HydrophobicContact CD1-CD1 4.34Å; I66-L69 WeakPolarHBondContact O-CB 3.06Å; I66-L69 PolarHBondContact O-N 3.15Å; D67-L69 VanDerWaalsContact C-N 3.27Å; D67-L69 PolarHBondContact O-N 3.28Å; L69-S72 PolarHBondContact O-N 2.74Å; L69-S72 PolarHBondContact O-OG 3.29Å; L69-K73 PolarHBondContact O-N 2.53Å |
| 70 | M | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 177.1 | -67.2 | -171.4 | -70.5 | 0 | 0 | 112 | I36 L40 I66 D67 S72 K73 V74 F138 H140 V142 | I36-M70 HydrophobicContact CD1-CG 3.9Å; I36-M70 HydrophobicContact CG1-CG 4.05Å; L40-M70 HydrophobicContact CD2-CB 3.92Å; L40-M70 HydrophobicContact CD2-CG 3.67Å; I66-M70 HydrophobicContact CG2-CE 3.91Å; I66-M70 HydrophobicContact CG2-SD 4.47Å; I66-M70 WeakPolarHBondContact O-CG 3.4Å; I66-M70 PolarHBondContact O-N 2.82Å; D67-M70 PolarHBondContact O-N 2.78Å; D67-M70 VanDerWaalsContact O-N 3.14Å; M70-S72 VanDerWaalsContact C-N 3.26Å; M70-S72 PolarHBondContact O-N 2.86Å; M70-K73 WeakPolarHBondContact O-CB 3.46Å; M70-K73 PolarHBondContact O-N 2.76Å; M70-V74 WeakPolarHBondContact O-CG2 3.2Å; M70-V74 PolarHBondContact O-N 2.8Å; M70-F138 HydrophobicContact SD-CE1 3.99Å; M70-F138 HydrophobicContact SD-CZ 4.17Å; M70-H140 HydrophobicContact CE-CB 4.27Å; M70-H140 WeakPolarHBondContact CE-CE1 3.42Å; M70-H140 WeakPolarHBondContact CE-ND1 3.49Å; M70-H140 WeakPolarHBondContact CE-NE2 3.49Å; M70-H140 HydrophobicContact SD-CB 4.48Å; M70-V142 HydrophobicContact CE-CG2 4.44Å |
| 71 | L | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -39.4 | 177.2 | -72.7 | 168.1 | 0 | 0 | 0 | 111.6 | I56 D67 L68 K73 V74 Q75 I83 N85 I111 F113 | I56-L71 HydrophobicContact CD1-CD2 3.64Å; D67-L71 WeakPolarHBondContact O-CB 3.47Å; D67-L71 VanDerWaalsContact O-CG 3.25Å; D67-L71 WeakPolarHBondContact O-CG 3.27Å; D67-L71 PolarHBondContact O-N 3.08Å; L68-L71 HydrophobicContact CD2-CD1 4.07Å; L71-K73 VanDerWaalsContact C-N 3.27Å; L71-K73 PolarHBondContact O-N 2.85Å; L71-V74 PolarHBondContact O-N 2.81Å; L71-Q75 WeakPolarHBondContact O-CG 3.48Å; L71-Q75 PolarHBondContact O-N 2.9Å; L71-I83 HydrophobicContact CD2-CG2 3.82Å; L71-N85 HydrophobicContact CD1-CB 4.33Å; L71-N85 HydrophobicContact CD2-CB 4.11Å; L71-I111 HydrophobicContact CB-CD1 3.98Å; L71-I111 HydrophobicContact CD1-CD1 4.32Å; L71-I111 HydrophobicContact CD2-CD1 4.24Å; L71-I111 HydrophobicContact CG-CD1 4.42Å; L71-F113 HydrophobicContact CD1-CE1 3.73Å; L71-F113 HydrophobicContact CD1-CZ 3.86Å |
| 72 | S | 98.2 | Very high | 97.3 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 32% | 0.315 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.8 | -37 | 175.4 | 82 | 0 | 0 | 0 | 0 | 112.6 | L68 L69 M70 A76 | L68-S72 WeakPolarHBondContact O-CB 2.95Å; L68-S72 PolarHBondContact O-N 3.32Å; L69-S72 PolarHBondContact O-N 2.74Å; L69-S72 PolarHBondContact O-OG 3.29Å; M70-S72 VanDerWaalsContact C-N 3.26Å; M70-S72 PolarHBondContact O-N 2.86Å; S72-A76 WeakPolarHBondContact O-CB 3.49Å; S72-A76 PolarHBondContact O-N 2.97Å |
| 73 | K | 98.5 | Very high | 97.5 | Very high | 53 Ų | 53 | 37.3 Ų | 37.3 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72.4 | -37.7 | 176.8 | -55.1 | -53.6 | 176.5 | -177.6 | 0 | 111.6 | I36 L40 I44 L69 M70 L71 A76 R77 | I36-K73 HydrophobicContact CG2-CD 4.46Å; I36-K73 HydrophobicContact CG2-CG 3.69Å; I36-K73 WeakPolarHBondContact O-CE 3.33Å; I36-K73 WeakPolarHBondContact O-CG 3.21Å; L40-K73 HydrophobicContact CD2-CB 4.18Å; L40-K73 HydrophobicContact CD2-CG 4.21Å; I44-K73 HydrophobicContact CD1-CB 3.88Å; L69-K73 PolarHBondContact O-N 2.53Å; M70-K73 WeakPolarHBondContact O-CB 3.46Å; M70-K73 PolarHBondContact O-N 2.76Å; L71-K73 VanDerWaalsContact C-N 3.27Å; L71-K73 PolarHBondContact O-N 2.85Å; K73-A76 PolarHBondContact O-N 3.33Å; K73-R77 WeakPolarHBondContact O-CB 3.24Å; K73-R77 PolarHBondContact O-N 2.9Å |
| 74 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.4 | -48.3 | 173.5 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | I44 I47 I54 I56 M70 L71 A76 R77 Y78 I83 | I44-V74 HydrophobicContact CD1-CB 4.36Å; I44-V74 HydrophobicContact CD1-CG2 3.73Å; I47-V74 HydrophobicContact CD1-CG2 4.37Å; I54-V74 HydrophobicContact CD1-CG1 3.88Å; I54-V74 HydrophobicContact CG2-CG1 4.23Å; I56-V74 HydrophobicContact CD1-CB 4.36Å; I56-V74 HydrophobicContact CD1-CG1 4.15Å; I56-V74 HydrophobicContact CD1-CG2 3.88Å; M70-V74 WeakPolarHBondContact O-CG2 3.2Å; M70-V74 PolarHBondContact O-N 2.8Å; L71-V74 PolarHBondContact O-N 2.81Å; V74-A76 PolarHBondContact O-N 2.67Å; V74-R77 PolarHBondContact O-N 3.15Å; V74-Y78 HydrophobicContact CG1-CD2 4.08Å; V74-Y78 WeakPolarHBondContact O-CD2 3.16Å; V74-Y78 PolarHBondContact O-N 3.27Å; V74-I83 HydrophobicContact CB-CD1 4.14Å; V74-I83 HydrophobicContact CG1-CD1 3.72Å; V74-I83 HydrophobicContact CG1-CG1 4.34Å |
| 75 | Q | 97.4 | Very high | 97.7 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 176.7 | -72.5 | 177.5 | -64.9 | 0 | 0 | 112.1 | L71 R77 Y78 I83 N107 N110 I111 | L71-Q75 WeakPolarHBondContact O-CG 3.48Å; L71-Q75 PolarHBondContact O-N 2.9Å; Q75-R77 VanDerWaalsContact C-N 3.27Å; Q75-R77 PolarHBondContact O-N 3.2Å; Q75-Y78 CarbonylContact O-C 3.48Å; Q75-Y78 VanDerWaalsContact O-C 3.28Å; Q75-Y78 PolarHBondContact O-N 3.23Å; Q75-I83 HydrophobicContact CB-CD1 4.47Å; Q75-I83 HydrophobicContact CG-CD1 3.5Å; Q75-N107 PolarHBondContact NE2-O 2.87Å; Q75-N110 PolarHBondContact NE2-OD1 3.26Å; Q75-I111 HydrophobicContact CG-CD1 4.04Å; Q75-I111 HydrophobicContact CG-CG1 4.42Å |
| 76 | A | 97.3 | Very high | 97.8 | Very high | 81 Ų | 81 | 36 Ų | 36 | 67% | 0.669 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -62 | -36.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S72 K73 V74 | S72-A76 WeakPolarHBondContact O-CB 3.49Å; S72-A76 PolarHBondContact O-N 2.97Å; K73-A76 PolarHBondContact O-N 3.33Å; V74-A76 PolarHBondContact O-N 2.67Å |
| 77 | R | 97.7 | Very high | 97.9 | Very high | 102 Ų | 102 | 35.5 Ų | 35.5 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -75.1 | -31.5 | 178.7 | -178.8 | 61.3 | -171.9 | 88.7 | 2.9 | 113 | S45 K73 V74 Q75 | S45-R77 PolarHBondContact O-NE 3.01Å; S45-R77 PolarHBondContact O-NH2 3.41Å; K73-R77 WeakPolarHBondContact O-CB 3.24Å; K73-R77 PolarHBondContact O-N 2.9Å; V74-R77 PolarHBondContact O-N 3.15Å; Q75-R77 VanDerWaalsContact C-N 3.27Å; Q75-R77 PolarHBondContact O-N 3.2Å |
| 78 | Y | 97.3 | Very high | 97.9 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -129.4 | 66.9 | -173.6 | -58.8 | -72.6 | 0 | 0 | 0 | 111.7 | I44 S45 S46 I47 G48 I54 V74 Q75 G80 V81 | I44-Y78 WeakPolarHBondContact O-CE2 3.48Å; I44-Y78 PolarHBondContact O-OH 3.33Å; S45-Y78 PolarHBondContact O-OH 2.65Å; S46-Y78 VanDerWaalsContact C-OH 3.22Å; S46-Y78 WeakPolarHBondContact CA-OH 3.09Å; S46-Y78 PolarHBondContact N-OH 2.98Å; I47-Y78 HydrophobicContact CG1-CE2 3.8Å; I47-Y78 PolarHBondContact N-OH 3.2Å; G48-Y78 VanDerWaalsContact N-CZ 3.32Å; G48-Y78 PolarHBondContact N-OH 2.99Å; G48-Y78 VanDerWaalsContact N-OH 3.09Å; I54-Y78 HydrophobicContact CD1-CD1 4.33Å; I54-Y78 HydrophobicContact CD1-CD2 3.39Å; I54-Y78 HydrophobicContact CD1-CE2 4.01Å; I54-Y78 HydrophobicContact CD1-CG 3.57Å; V74-Y78 HydrophobicContact CG1-CD2 4.08Å; V74-Y78 WeakPolarHBondContact O-CD2 3.16Å; V74-Y78 PolarHBondContact O-N 3.27Å; Q75-Y78 CarbonylContact O-C 3.48Å; Q75-Y78 VanDerWaalsContact O-C 3.28Å; Q75-Y78 PolarHBondContact O-N 3.23Å; Y78-G80 PolarHBondContact O-N 3.39Å; Y78-V81 WeakPolarHBondContact O-CB 3.36Å; Y78-V81 PolarHBondContact O-N 3.35Å |
| 79 | P | 95.6 | Very high | 97.9 | Very high | 109 Ų | 109 | 35.1 Ų | 35.1 | 71% | 0.708 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | 133.8 | -176.5 | 26.3 | -34.9 | 0 | 0 | 0 | 111.3 | V81 | P79-V81 VanDerWaalsContact C-N 3.25Å; P79-V81 PolarHBondContact O-N 3Å |
| 80 | G | 93.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 35.7 Ų | 35.7 | 80% | 0.804 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -4.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y78 | Y78-G80 PolarHBondContact O-N 3.39Š|
| 81 | V | 97.4 | Very high | 97.5 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | trans | -78.5 | 139.2 | 174.9 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | I54 Y78 P79 N110 | I54-V81 HydrophobicContact CD1-CB 4.5Å; I54-V81 HydrophobicContact CD1-CG1 3.89Å; I54-V81 HydrophobicContact CG1-CG1 3.82Å; Y78-V81 WeakPolarHBondContact O-CB 3.36Å; Y78-V81 PolarHBondContact O-N 3.35Å; P79-V81 VanDerWaalsContact C-N 3.25Å; P79-V81 PolarHBondContact O-N 3Å; V81-N110 PolarHBondContact O-ND2 3.08Å | ||
| 82 | T | 98.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 39.1 Ų | 39.1 | 29% | 0.288 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 136.7 | 174.8 | -61.4 | 0 | 0 | 0 | 0 | 109.7 | S52 T53 I54 | S52-T82 PolarHBondContact O-N 3.14Å; T53-T82 CarbonylContact C-O 3.54Å; T53-T82 VanDerWaalsContact CA-O 3.22Å; T53-T82 WeakPolarHBondContact CA-O 3.45Å; T53-T82 HydrophobicContact CG2-CG2 4.41Å; I54-T82 PolarHBondContact N-O 2.98Å |
| 83 | I | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.6 | 174.8 | -57.2 | 174.3 | 0 | 0 | 0 | 108.5 | I54 I56 L71 V74 Q75 N110 I111 K112 | I54-I83 CarbonylContact O-C 3.51Å; I54-I83 WeakPolarHBondContact O-CA 3.46Å; I56-I83 HydrophobicContact CD1-CG2 3.73Å; I56-I83 HydrophobicContact CG1-CG2 4.14Å; L71-I83 HydrophobicContact CD2-CG2 3.82Å; V74-I83 HydrophobicContact CB-CD1 4.14Å; V74-I83 HydrophobicContact CG1-CD1 3.72Å; V74-I83 HydrophobicContact CG1-CG1 4.34Å; Q75-I83 HydrophobicContact CB-CD1 4.47Å; Q75-I83 HydrophobicContact CG-CD1 3.5Å; I83-N110 PolarHBondContact N-O 3.35Å; I83-I111 HydrophobicContact CB-CB 4.45Å; I83-I111 HydrophobicContact CB-CG1 4.16Å; I83-I111 HydrophobicContact CB-CG2 4.17Å; I83-I111 HydrophobicContact CD1-CD1 4.24Å; I83-I111 HydrophobicContact CD1-CG1 4.27Å; I83-I111 HydrophobicContact CG2-CG2 4.16Å; I83-I111 CarbonylContact O-C 3.53Å; I83-I111 WeakPolarHBondContact O-CA 3.33Å; I83-K112 PolarHBondContact O-N 2.83Å |
| 84 | N | 98.7 | Very high | 96.9 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 20% | 0.198 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 108.6 | 167.4 | -64.7 | -29 | 0 | 0 | 0 | 107.6 | T53 I54 N55 I56 | T53-N84 VanDerWaalsContact CG2-ND2 3.27Å; T53-N84 WeakPolarHBondContact CG2-ND2 3.43Å; I54-N84 PolarHBondContact O-N 3.36Å; N55-N84 WeakPolarHBondContact CA-O 3.34Å; N55-N84 WeakPolarHBondContact OD1-CB 3.49Å; N55-N84 PolarHBondContact OD1-ND2 2.81Å; I56-N84 PolarHBondContact N-O 3.22Å |
| 85 | N | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 110 | 177.8 | -174 | 77.1 | 0 | 0 | 0 | 109.9 | I56 L71 V87 Y98 I111 K112 F113 T114 | I56-N85 WeakPolarHBondContact O-CA 3.43Å; L71-N85 HydrophobicContact CD1-CB 4.33Å; L71-N85 HydrophobicContact CD2-CB 4.11Å; N85-V87 WeakPolarHBondContact ND2-CG2 3.47Å; N85-Y98 PolarHBondContact ND2-OH 3.09Å; N85-I111 HydrophobicContact CB-CG2 4Å; N85-K112 PolarHBondContact N-O 3.24Å; N85-F113 HydrophobicContact CB-CD1 4.12Å; N85-F113 HydrophobicContact CB-CE1 4.18Å; N85-F113 WeakPolarHBondContact ND2-CD1 3.23Å; N85-F113 VanDerWaalsContact O-CA 3.32Å; N85-F113 WeakPolarHBondContact O-CA 3.12Å; N85-T114 PolarHBondContact O-N 3.1Å |
| 86 | E | 98.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 140.8 | 172.9 | -54.6 | -160.5 | -167.7 | 0 | 0 | 110.7 | I56 L57 S58 T114 H116 K134 W136 | I56-E86 PolarHBondContact O-N 3.06Å; L57-E86 WeakPolarHBondContact CA-O 3.41Å; L57-E86 HydrophobicContact CD1-CB 4.01Å; S58-E86 PolarHBondContact N-O 3.38Å; E86-T114 CarbonylContact C-O 3.59Å; E86-T114 WeakPolarHBondContact CA-O 3.43Å; E86-H116 IonicContact OE2-CD2 3.47Å; E86-H116 IonicContact OE2-CE1 2.84Å; E86-H116 IonicContact OE2-NE2 3.14Å; E86-H116 PolarHBondContact OE2-NE2 3.15Å; E86-K134 VanDerWaalsContact CD-NZ 3.35Å; E86-K134 IonicContact OE1-NZ 3.16Å; E86-K134 PolarHBondContact OE1-NZ 2.87Å; E86-W136 HydrophobicContact CB-CH2 3.62Å; E86-W136 HydrophobicContact CB-CZ3 4.05Å; E86-W136 VanDerWaalsContact CD-CH2 3.48Å; E86-W136 HydrophobicContact CG-CH2 3.53Å; E86-W136 HydrophobicContact CG-CZ3 3.94Å |
| 87 | V | 98.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.6 | -174 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | S58 N85 E89 Y98 T114 H116 | S58-V87 CarbonylContact O-C 3.45Å; S58-V87 WeakPolarHBondContact O-CA 3.46Å; N85-V87 WeakPolarHBondContact ND2-CG2 3.47Å; V87-E89 HydrophobicContact CG1-CB 4.2Å; V87-Y98 HydrophobicContact CB-CE1 4.47Å; V87-Y98 HydrophobicContact CG1-CD1 4.26Å; V87-Y98 HydrophobicContact CG1-CE1 3.97Å; V87-Y98 HydrophobicContact CG2-CD1 4.46Å; V87-Y98 HydrophobicContact CG2-CE1 3.7Å; V87-T114 PolarHBondContact N-O 3.34Å; V87-H116 PolarHBondContact O-N 3.47Å |
| 88 | I | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113 | 170.1 | -56.6 | 165.9 | 0 | 0 | 0 | 107 | L57 S58 V59 G60 E118 Y123 F158 | L57-I88 HydrophobicContact CD1-CD1 3.9Å; L57-I88 HydrophobicContact CD1-CG1 4.06Å; L57-I88 HydrophobicContact CD2-CD1 4.19Å; L57-I88 HydrophobicContact CG-CD1 4.23Å; S58-I88 PolarHBondContact O-N 2.83Å; V59-I88 HydrophobicContact CG1-CB 4.34Å; V59-I88 HydrophobicContact CG1-CD1 4.21Å; V59-I88 HydrophobicContact CG2-CD1 4.29Å; G60-I88 WeakPolarHBondContact CA-O 3.5Å; G60-I88 PolarHBondContact N-O 3.24Å; I88-E118 HydrophobicContact CG2-CG 4.24Å; I88-E118 VanDerWaalsContact CG2-O 3.24Å; I88-E118 WeakPolarHBondContact CG2-O 3.08Å; I88-Y123 HydrophobicContact CD1-CD1 3.52Å; I88-Y123 HydrophobicContact CD1-CD2 3.41Å; I88-Y123 VanDerWaalsContact CD1-CD2 3.41Å; I88-Y123 HydrophobicContact CD1-CE1 3.84Å; I88-Y123 HydrophobicContact CD1-CE2 3.77Å; I88-Y123 HydrophobicContact CD1-CG 3.29Å; I88-Y123 HydrophobicContact CG1-CD1 4.49Å; I88-Y123 HydrophobicContact CG1-CD2 3.48Å; I88-Y123 VanDerWaalsContact CG1-CD2 3.48Å; I88-Y123 HydrophobicContact CG1-CE2 3.87Å; I88-Y123 HydrophobicContact CG1-CG 3.85Å; I88-F158 HydrophobicContact CD1-CE1 3.92Å; I88-F158 HydrophobicContact CD1-CZ 3.98Å |
| 89 | E | 98.2 | Very high | 96.9 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | trans | -148.9 | 115.8 | -178.7 | 172 | 53 | -117.5 | 0 | 0 | 110.3 | G62 V87 S91 Q94 I95 H116 K117 E118 | G62-E89 WeakPolarHBondContact CA-OE2 3.42Å; G62-E89 PolarHBondContact N-OE2 2.86Å; V87-E89 HydrophobicContact CG1-CB 4.2Å; E89-S91 VanDerWaalsContact C-N 3.33Å; E89-S91 PolarHBondContact O-N 3.18Å; E89-S91 WeakPolarHBondContact OE1-CB 3.48Å; E89-S91 PolarHBondContact OE1-N 3.44Å; E89-Q94 HydrophobicContact CG-CB 3.83Å; E89-I95 HydrophobicContact CB-CD1 4.15Å; E89-I95 HydrophobicContact CB-CG1 3.82Å; E89-I95 HydrophobicContact CG-CD1 4.31Å; E89-I95 HydrophobicContact CG-CG1 3.75Å; E89-I95 WeakPolarHBondContact O-CD1 3.42Å; E89-H116 PolarHBondContact N-O 2.91Å; E89-K117 WeakPolarHBondContact O-CA 3.33Å; E89-E118 CarbonylContact C-O 3.52Å | ||
| 90 | P | 95.6 | Very high | 97.1 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -70.7 | -26.3 | -178.1 | 27.3 | -35.6 | 0 | 0 | 0 | 113.7 | A92 K117 T119 | P90-A92 PolarHBondContact O-N 3.04Å; P90-K117 WeakPolarHBondContact O-CE 3.23Å; P90-T119 HydrophobicContact CB-CG2 3.96Å; P90-T119 HydrophobicContact CG-CG2 4.32Å |
| 91 | S | 93.2 | Very high | 97.3 | Very high | 26 Ų | 26 | 43 Ų | 43 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | trans | -80.9 | 118.2 | -177.3 | 178.1 | 0 | 0 | 0 | 0 | 112.4 | E89 E93 Q94 I95 | E89-S91 VanDerWaalsContact C-N 3.33Å; E89-S91 PolarHBondContact O-N 3.18Å; E89-S91 WeakPolarHBondContact OE1-CB 3.48Å; E89-S91 PolarHBondContact OE1-N 3.44Å; S91-E93 VanDerWaalsContact C-N 3.27Å; S91-E93 PolarHBondContact O-N 3.45Å; S91-E93 PolarHBondContact OG-N 3.32Å; S91-Q94 PolarHBondContact O-N 3.5Å; S91-Q94 PolarHBondContact OG-N 3.34Å; S91-I95 PolarHBondContact O-N 2.9Å | ||
| 92 | A | 94.9 | Very high | 97.3 | Very high | 52 Ų | 52 | 43.1 Ų | 43.1 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64 | -33.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P90 F96 K117 | P90-A92 PolarHBondContact O-N 3.04Å; A92-F96 VanDerWaalsContact O-CB 3.32Å; A92-F96 WeakPolarHBondContact O-CB 3.42Å; A92-F96 PolarHBondContact O-N 3.4Å; A92-K117 HydrophobicContact CB-CD 4.21Å |
| 93 | E | 92.9 | Very high | 97.3 | Very high | 105 Ų | 105 | 45.1 Ų | 45.1 | 49% | 0.491 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68 | -41.3 | 178 | -177.1 | 176.6 | 177.4 | 0 | 0 | 111.3 | H12 S91 F96 S97 | H12-E93 IonicContact NE2-OE2 2.63Å; S91-E93 VanDerWaalsContact C-N 3.27Å; S91-E93 PolarHBondContact O-N 3.45Å; S91-E93 PolarHBondContact OG-N 3.32Å; E93-F96 PolarHBondContact O-N 2.95Å; E93-S97 WeakPolarHBondContact O-CB 3.3Å; E93-S97 PolarHBondContact O-N 2.92Å; E93-S97 PolarHBondContact O-OG 2.92Å |
| 94 | Q | 94.2 | Very high | 97.3 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 175.5 | -67.5 | -69.9 | 75.5 | 0 | 0 | 111.1 | G62 E89 S91 F96 S97 Y98 | G62-Q94 CarbonylContact O-C 3.54Å; E89-Q94 HydrophobicContact CG-CB 3.83Å; S91-Q94 PolarHBondContact O-N 3.5Å; S91-Q94 PolarHBondContact OG-N 3.34Å; Q94-F96 VanDerWaalsContact C-N 3.29Å; Q94-F96 PolarHBondContact O-N 3.09Å; Q94-S97 PolarHBondContact O-N 3.27Å; Q94-Y98 WeakPolarHBondContact O-CB 3.33Å; Q94-Y98 PolarHBondContact O-N 3.12Å |
| 95 | I | 98 | Very high | 97.2 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -42.7 | 174.2 | -71.5 | 166.2 | 0 | 0 | 0 | 111.3 | E89 S91 Y98 K99 W115 K117 | E89-I95 HydrophobicContact CB-CD1 4.15Å; E89-I95 HydrophobicContact CB-CG1 3.82Å; E89-I95 HydrophobicContact CG-CD1 4.31Å; E89-I95 HydrophobicContact CG-CG1 3.75Å; E89-I95 WeakPolarHBondContact O-CD1 3.42Å; S91-I95 PolarHBondContact O-N 2.9Å; I95-Y98 PolarHBondContact O-N 3.43Å; I95-K99 HydrophobicContact CG2-CD 4.03Å; I95-K99 HydrophobicContact CG2-CG 4.43Å; I95-K99 WeakPolarHBondContact O-CB 3.38Å; I95-K99 WeakPolarHBondContact O-CG 3.48Å; I95-K99 PolarHBondContact O-N 2.92Å; I95-W115 HydrophobicContact CG2-CB 4.06Å; I95-W115 HydrophobicContact CG2-CG 4.07Å; I95-K117 HydrophobicContact CD1-CB 3.72Å; I95-K117 HydrophobicContact CD1-CG 3.94Å |
| 96 | F | 97.6 | Very high | 97 | Very high | 126 Ų | 126 | 57.6 Ų | 57.6 | 55% | 0.553 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.8 | -48.5 | 177.7 | 177.8 | -95.3 | 0 | 0 | 0 | 111 | A92 E93 Q94 Y98 K99 E100 | A92-F96 VanDerWaalsContact O-CB 3.32Å; A92-F96 WeakPolarHBondContact O-CB 3.42Å; A92-F96 PolarHBondContact O-N 3.4Å; E93-F96 PolarHBondContact O-N 2.95Å; Q94-F96 VanDerWaalsContact C-N 3.29Å; Q94-F96 PolarHBondContact O-N 3.09Å; F96-Y98 VanDerWaalsContact C-N 3.33Å; F96-Y98 PolarHBondContact O-N 3.24Å; F96-K99 PolarHBondContact O-N 3.06Å; F96-E100 HydrophobicContact CD1-CG 4.38Å; F96-E100 HydrophobicContact CE1-CG 3.9Å; F96-E100 WeakPolarHBondContact CE1-OE2 3.46Å; F96-E100 HydrophobicContact CZ-CG 4.02Å; F96-E100 PolarHBondContact O-N 2.97Å |
| 97 | S | 96.7 | Very high | 96.8 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | E93 Q94 E100 R101 | E93-S97 WeakPolarHBondContact O-CB 3.3Å; E93-S97 PolarHBondContact O-N 2.92Å; E93-S97 PolarHBondContact O-OG 2.92Å; Q94-S97 PolarHBondContact O-N 3.27Å; S97-E100 PolarHBondContact O-N 2.95Å; S97-R101 WeakPolarHBondContact O-CB 3.49Å; S97-R101 PolarHBondContact O-N 2.96Å |
| 98 | Y | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.4 | -50.5 | 174.1 | -161.8 | 153.5 | 0 | 0 | 0 | 110.3 | G62 A63 G64 D67 L68 N85 V87 Q94 I95 F96 E100 R101 V102 F113 W115 | G62-Y98 WeakPolarHBondContact O-CD1 3.44Å; A63-Y98 WeakPolarHBondContact O-CA 3.26Å; G64-Y98 VanDerWaalsContact CA-CD1 3.4Å; D67-Y98 HydrophobicContact CB-CE1 4.14Å; D67-Y98 WeakPolarHBondContact CB-OH 3.38Å; D67-Y98 VanDerWaalsContact CG-OH 3.23Å; D67-Y98 WeakPolarHBondContact OD1-CE1 3.48Å; D67-Y98 PolarHBondContact OD1-OH 3.2Å; L68-Y98 HydrophobicContact CG-CE2 4.48Å; N85-Y98 PolarHBondContact ND2-OH 3.09Å; V87-Y98 HydrophobicContact CB-CE1 4.47Å; V87-Y98 HydrophobicContact CG1-CD1 4.26Å; V87-Y98 HydrophobicContact CG1-CE1 3.97Å; V87-Y98 HydrophobicContact CG2-CD1 4.46Å; V87-Y98 HydrophobicContact CG2-CE1 3.7Å; Q94-Y98 WeakPolarHBondContact O-CB 3.33Å; Q94-Y98 PolarHBondContact O-N 3.12Å; I95-Y98 PolarHBondContact O-N 3.43Å; F96-Y98 VanDerWaalsContact C-N 3.33Å; F96-Y98 PolarHBondContact O-N 3.24Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 2.82Å; Y98-R101 WeakPolarHBondContact O-CA 3.42Å; Y98-R101 WeakPolarHBondContact O-CB 3.4Å; Y98-R101 PolarHBondContact O-N 3.38Å; Y98-V102 HydrophobicContact CD2-CG2 3.74Å; Y98-V102 HydrophobicContact CE2-CG2 3.73Å; Y98-V102 PolarHBondContact O-N 2.99Å; Y98-F113 HydrophobicContact CE2-CD1 4.38Å; Y98-F113 HydrophobicContact CE2-CE1 4.06Å; Y98-W115 AromaticContact CG-NE1 3.92Å |
| 99 | K | 98.6 | Very high | 96.5 | Very high | 96 Ų | 96 | 70.1 Ų | 70.1 | 42% | 0.417 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.3 | -43.2 | 177.4 | -75.7 | 174.9 | 177.1 | -179.6 | 0 | 112.5 | I95 F96 R101 V102 A103 W115 | I95-K99 HydrophobicContact CG2-CD 4.03Å; I95-K99 HydrophobicContact CG2-CG 4.43Å; I95-K99 WeakPolarHBondContact O-CB 3.38Å; I95-K99 WeakPolarHBondContact O-CG 3.48Å; I95-K99 PolarHBondContact O-N 2.92Å; F96-K99 PolarHBondContact O-N 3.06Å; K99-R101 VanDerWaalsContact C-N 3.3Å; K99-R101 PolarHBondContact O-N 2.66Å; K99-V102 PolarHBondContact O-N 2.75Å; K99-A103 WeakPolarHBondContact O-CB 3.2Å; K99-A103 PolarHBondContact O-N 3.11Å; K99-W115 HydrophobicContact CB-CZ2 4.49Å; K99-W115 HydrophobicContact CD-CD2 4.39Å; K99-W115 HydrophobicContact CD-CE3 4.34Å; K99-W115 HydrophobicContact CD-CZ3 4.42Å; K99-W115 VanDerWaalsContact CE-CD2 3.42Å; K99-W115 HydrophobicContact CG-CD2 4Å; K99-W115 HydrophobicContact CG-CE3 4.2Å; K99-W115 HydrophobicContact CG-CH2 3.76Å; K99-W115 HydrophobicContact CG-CZ2 3.54Å; K99-W115 HydrophobicContact CG-CZ3 4.08Å |
| 100 | E | 98.4 | Very high | 96.4 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 36% | 0.36 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 174.3 | -80.6 | -154.5 | 85.1 | 0 | 0 | 112.5 | F96 S97 Y98 A103 K104 | F96-E100 HydrophobicContact CD1-CG 4.38Å; F96-E100 HydrophobicContact CE1-CG 3.9Å; F96-E100 WeakPolarHBondContact CE1-OE2 3.46Å; F96-E100 HydrophobicContact CZ-CG 4.02Å; F96-E100 PolarHBondContact O-N 2.97Å; S97-E100 PolarHBondContact O-N 2.95Å; Y98-E100 VanDerWaalsContact C-N 3.31Å; Y98-E100 PolarHBondContact O-N 2.82Å; E100-A103 PolarHBondContact O-N 2.79Å; E100-K104 WeakPolarHBondContact O-CD 3.44Å; E100-K104 VanDerWaalsContact O-CG 3.31Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 3.4Å; E100-K104 IonicContact OE1-NZ 3Å; E100-K104 PolarHBondContact OE1-NZ 3.32Å |
| 101 | R | 98.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 68.8 Ų | 68.8 | 33% | 0.325 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.6 | -49.3 | 177.5 | -170.3 | 179 | -62.4 | -86.1 | -5 | 111.2 | A63 E65 L68 S97 Y98 K99 A103 K104 T105 | A63-R101 PolarHBondContact O-NE 3.15Å; A63-R101 VanDerWaalsContact O-NE 3.1Å; E65-R101 VanDerWaalsContact CD-NH2 3.27Å; E65-R101 IonicContact OE1-CZ 2.6Å; E65-R101 VanDerWaalsContact OE1-CZ 3.26Å; E65-R101 IonicContact OE1-NH1 3.34Å; E65-R101 PolarHBondContact OE1-NH1 2.96Å; E65-R101 IonicContact OE1-NH2 3.09Å; E65-R101 PolarHBondContact OE1-NH2 3.05Å; L68-R101 HydrophobicContact CD1-CB 4.44Å; L68-R101 HydrophobicContact CD1-CG 3.59Å; S97-R101 WeakPolarHBondContact O-CB 3.49Å; S97-R101 PolarHBondContact O-N 2.96Å; Y98-R101 WeakPolarHBondContact O-CA 3.42Å; Y98-R101 WeakPolarHBondContact O-CB 3.4Å; Y98-R101 PolarHBondContact O-N 3.38Å; K99-R101 VanDerWaalsContact C-N 3.3Å; K99-R101 PolarHBondContact O-N 2.66Å; R101-A103 VanDerWaalsContact C-N 3.26Å; R101-A103 PolarHBondContact O-N 3.42Å; R101-K104 CarbonylContact O-C 3.58Å; R101-K104 PolarHBondContact O-N 3.03Å; R101-T105 PolarHBondContact O-N 3.25Å; R101-T105 PolarHBondContact O-OG1 3.49Å |
| 102 | V | 98.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 73.9 Ų | 73.9 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -54.6 | -44.4 | 175 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | L68 Y98 K99 K104 T105 L108 F113 W115 | L68-V102 HydrophobicContact CD2-CG2 4.36Å; Y98-V102 HydrophobicContact CD2-CG2 3.74Å; Y98-V102 HydrophobicContact CE2-CG2 3.73Å; Y98-V102 PolarHBondContact O-N 2.99Å; K99-V102 PolarHBondContact O-N 2.75Å; V102-K104 PolarHBondContact O-N 3.41Å; V102-T105 PolarHBondContact O-N 3.15Å; V102-L108 HydrophobicContact CB-CD1 4.44Å; V102-L108 HydrophobicContact CG1-CD1 3.93Å; V102-F113 HydrophobicContact CG1-CD2 3.96Å; V102-F113 HydrophobicContact CG1-CE2 3.86Å; V102-F113 HydrophobicContact CG1-CZ 4.41Å; V102-F113 HydrophobicContact CG2-CD1 4.24Å; V102-F113 HydrophobicContact CG2-CD2 4.47Å; V102-F113 HydrophobicContact CG2-CE1 3.98Å; V102-F113 HydrophobicContact CG2-CE2 4.22Å; V102-F113 HydrophobicContact CG2-CG 4.48Å; V102-F113 HydrophobicContact CG2-CZ 3.97Å; V102-W115 HydrophobicContact CG2-CZ2 4.32Å |
| 103 | A | 97.8 | Very high | 96.9 | Very high | 89 Ų | 89 | 73 Ų | 73 | 74% | 0.736 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64 | -24.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K99 E100 R101 | K99-A103 WeakPolarHBondContact O-CB 3.2Å; K99-A103 PolarHBondContact O-N 3.11Å; E100-A103 PolarHBondContact O-N 2.79Å; R101-A103 VanDerWaalsContact C-N 3.26Å; R101-A103 PolarHBondContact O-N 3.42Å |
| 104 | K | 97.6 | Very high | 97.2 | Very high | 155 Ų | 155 | 70.9 Ų | 70.9 | 67% | 0.674 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -95.6 | -9.7 | 179.5 | -67.4 | 166.3 | -169 | 161.5 | 0 | 112.8 | E100 R101 V102 | E100-K104 WeakPolarHBondContact O-CD 3.44Å; E100-K104 VanDerWaalsContact O-CG 3.31Å; E100-K104 WeakPolarHBondContact O-CG 3.31Å; E100-K104 PolarHBondContact O-N 3.4Å; E100-K104 IonicContact OE1-NZ 3Å; E100-K104 PolarHBondContact OE1-NZ 3.32Å; R101-K104 CarbonylContact O-C 3.58Å; R101-K104 PolarHBondContact O-N 3.03Å; V102-K104 PolarHBondContact O-N 3.41Å |
| 105 | T | 97.3 | Very high | 97.4 | Very high | 59 Ų | 59 | 71.2 Ų | 71.2 | 36% | 0.362 | 36% | 0.363 | S | S | . | . | trans | -97.4 | 124.2 | -177 | -61.5 | 0 | 0 | 0 | 0 | 111 | L68 R101 V102 L108 | L68-T105 HydrophobicContact CD1-CG2 4.48Å; R101-T105 PolarHBondContact O-N 3.25Å; R101-T105 PolarHBondContact O-OG1 3.49Å; V102-T105 PolarHBondContact O-N 3.15Å; T105-L108 HydrophobicContact CG2-CD1 3.74Å; T105-L108 HydrophobicContact CG2-CD2 4.19Å; T105-L108 HydrophobicContact CG2-CG 3.93Å | ||
| 106 | S | 95.8 | Very high | 97.4 | Very high | 87 Ų | 87 | 72.2 Ų | 72.2 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -77.5 | 167.4 | 172.5 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 107 | N | 94.4 | Very high | 97.5 | Very high | 111 Ų | 111 | 73.1 Ų | 73.1 | 59% | 0.594 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 66.5 | 35.6 | 176.2 | -51.4 | -34.4 | 0 | 0 | 0 | 114.1 | Q75 E109 | Q75-N107 PolarHBondContact NE2-O 2.87Å; N107-E109 VanDerWaalsContact C-OE2 3.29Å; N107-E109 VanDerWaalsContact CA-OE2 3.23Å; N107-E109 WeakPolarHBondContact CA-OE2 3.43Å |
| 108 | L | 96.6 | Very high | 97.5 | Very high | 24 Ų | 24 | 72.4 Ų | 72.4 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | trans | -112.9 | 13.4 | 177.8 | -58.7 | -178.1 | 0 | 0 | 0 | 112.8 | L68 V102 T105 N110 I111 F113 | L68-L108 HydrophobicContact CD2-CD1 4.04Å; L68-L108 HydrophobicContact CD2-CD2 4.19Å; V102-L108 HydrophobicContact CB-CD1 4.44Å; V102-L108 HydrophobicContact CG1-CD1 3.93Å; T105-L108 HydrophobicContact CG2-CD1 3.74Å; T105-L108 HydrophobicContact CG2-CD2 4.19Å; T105-L108 HydrophobicContact CG2-CG 3.93Å; L108-N110 VanDerWaalsContact C-N 3.26Å; L108-N110 PolarHBondContact O-N 3.03Å; L108-I111 HydrophobicContact CD2-CD1 3.86Å; L108-I111 PolarHBondContact O-N 3.49Å; L108-F113 HydrophobicContact CD1-CE2 4.26Å; L108-F113 HydrophobicContact CD1-CZ 4.36Å | ||
| 109 | E | 94.1 | Very high | 97.4 | Very high | 160 Ų | 160 | 74.9 Ų | 74.9 | 75% | 0.748 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -29 | -170.3 | -58.3 | 79.1 | -172.7 | 0 | 0 | 113.2 | N107 I111 | N107-E109 VanDerWaalsContact C-OE2 3.29Å; N107-E109 VanDerWaalsContact CA-OE2 3.23Å; N107-E109 WeakPolarHBondContact CA-OE2 3.43Å; E109-I111 VanDerWaalsContact C-N 3.35Å |
| 110 | N | 95.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 70.7 Ų | 70.7 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4.1 | 176.4 | 69.2 | -45.5 | 0 | 0 | 0 | 113.5 | Q75 V81 I83 L108 | Q75-N110 PolarHBondContact NE2-OD1 3.26Å; V81-N110 PolarHBondContact O-ND2 3.08Å; I83-N110 PolarHBondContact N-O 3.35Å; L108-N110 VanDerWaalsContact C-N 3.26Å; L108-N110 PolarHBondContact O-N 3.03Å |
| 111 | I | 98.4 | Very high | 97.2 | Very high | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.062 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.1 | 179.7 | -45 | -167.7 | 0 | 0 | 0 | 110.5 | L71 Q75 I83 N85 L108 E109 F113 | L71-I111 HydrophobicContact CB-CD1 3.98Å; L71-I111 HydrophobicContact CD1-CD1 4.32Å; L71-I111 HydrophobicContact CD2-CD1 4.24Å; L71-I111 HydrophobicContact CG-CD1 4.42Å; Q75-I111 HydrophobicContact CG-CD1 4.04Å; Q75-I111 HydrophobicContact CG-CG1 4.42Å; I83-I111 HydrophobicContact CB-CB 4.45Å; I83-I111 HydrophobicContact CB-CG1 4.16Å; I83-I111 HydrophobicContact CB-CG2 4.17Å; I83-I111 HydrophobicContact CD1-CD1 4.24Å; I83-I111 HydrophobicContact CD1-CG1 4.27Å; I83-I111 HydrophobicContact CG2-CG2 4.16Å; I83-I111 CarbonylContact O-C 3.53Å; I83-I111 WeakPolarHBondContact O-CA 3.33Å; N85-I111 HydrophobicContact CB-CG2 4Å; L108-I111 HydrophobicContact CD2-CD1 3.86Å; L108-I111 PolarHBondContact O-N 3.49Å; E109-I111 VanDerWaalsContact C-N 3.35Å; I111-F113 HydrophobicContact CB-CD2 4.43Å; I111-F113 HydrophobicContact CB-CE2 3.77Å; I111-F113 HydrophobicContact CB-CZ 4.23Å; I111-F113 HydrophobicContact CG2-CD2 3.98Å; I111-F113 HydrophobicContact CG2-CE1 4.23Å; I111-F113 HydrophobicContact CG2-CE2 3.47Å; I111-F113 VanDerWaalsContact CG2-CE2 3.47Å; I111-F113 HydrophobicContact CG2-CZ 3.61Å |
| 112 | K | 98.5 | Very high | 97.2 | Very high | 133 Ų | 133 | 75.7 Ų | 75.7 | 58% | 0.578 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.8 | 171.4 | -64.3 | -179.3 | -176.3 | 173.5 | 0 | 109.2 | I83 N85 | I83-K112 PolarHBondContact O-N 2.83Å; N85-K112 PolarHBondContact N-O 3.24Å |
| 113 | F | 98.8 | Very high | 97.1 | Very high | 34 Ų | 34 | 74.5 Ų | 74.5 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.3 | 178.7 | -68.4 | -93 | 0 | 0 | 0 | 111.6 | L68 L71 N85 Y98 V102 L108 I111 W115 | L68-F113 HydrophobicContact CD2-CE1 4.27Å; L68-F113 HydrophobicContact CD2-CZ 3.89Å; L71-F113 HydrophobicContact CD1-CE1 3.73Å; L71-F113 HydrophobicContact CD1-CZ 3.86Å; N85-F113 HydrophobicContact CB-CD1 4.12Å; N85-F113 HydrophobicContact CB-CE1 4.18Å; N85-F113 WeakPolarHBondContact ND2-CD1 3.23Å; N85-F113 VanDerWaalsContact O-CA 3.32Å; N85-F113 WeakPolarHBondContact O-CA 3.12Å; Y98-F113 HydrophobicContact CE2-CD1 4.38Å; Y98-F113 HydrophobicContact CE2-CE1 4.06Å; V102-F113 HydrophobicContact CG1-CD2 3.96Å; V102-F113 HydrophobicContact CG1-CE2 3.86Å; V102-F113 HydrophobicContact CG1-CZ 4.41Å; V102-F113 HydrophobicContact CG2-CD1 4.24Å; V102-F113 HydrophobicContact CG2-CD2 4.47Å; V102-F113 HydrophobicContact CG2-CE1 3.98Å; V102-F113 HydrophobicContact CG2-CE2 4.22Å; V102-F113 HydrophobicContact CG2-CG 4.48Å; V102-F113 HydrophobicContact CG2-CZ 3.97Å; L108-F113 HydrophobicContact CD1-CE2 4.26Å; L108-F113 HydrophobicContact CD1-CZ 4.36Å; I111-F113 HydrophobicContact CB-CD2 4.43Å; I111-F113 HydrophobicContact CB-CE2 3.77Å; I111-F113 HydrophobicContact CB-CZ 4.23Å; I111-F113 HydrophobicContact CG2-CD2 3.98Å; I111-F113 HydrophobicContact CG2-CE1 4.23Å; I111-F113 HydrophobicContact CG2-CE2 3.47Å; I111-F113 VanDerWaalsContact CG2-CE2 3.47Å; I111-F113 HydrophobicContact CG2-CZ 3.61Å; F113-W115 HydrophobicContact CB-CE3 4.43Å; F113-W115 HydrophobicContact CB-CH2 3.45Å; F113-W115 VanDerWaalsContact CB-CH2 3.45Å; F113-W115 HydrophobicContact CB-CZ2 3.56Å; F113-W115 HydrophobicContact CB-CZ3 3.91Å; F113-W115 HydrophobicContact CD1-CZ2 4.27Å; F113-W115 HydrophobicContact CG-CH2 4.25Å; F113-W115 HydrophobicContact CG-CZ2 4.07Å |
| 114 | T | 98.7 | Very high | 97 | Very high | 59 Ų | 59 | 71.9 Ų | 71.9 | 36% | 0.362 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.7 | 168.5 | -52.1 | 0 | 0 | 0 | 0 | 108.5 | N85 E86 V87 | N85-T114 PolarHBondContact O-N 3.1Å; E86-T114 CarbonylContact C-O 3.59Å; E86-T114 WeakPolarHBondContact CA-O 3.43Å; V87-T114 PolarHBondContact N-O 3.34Å |
| 115 | W | 98.7 | Very high | 96.9 | Very high | 68 Ų | 68 | 67.6 Ų | 67.6 | 26% | 0.258 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.1 | 178.6 | -60.5 | -89.3 | 0 | 0 | 0 | 110.3 | I95 Y98 K99 V102 F113 | I95-W115 HydrophobicContact CG2-CB 4.06Å; I95-W115 HydrophobicContact CG2-CG 4.07Å; Y98-W115 AromaticContact CG-NE1 3.92Å; K99-W115 HydrophobicContact CB-CZ2 4.49Å; K99-W115 HydrophobicContact CD-CD2 4.39Å; K99-W115 HydrophobicContact CD-CE3 4.34Å; K99-W115 HydrophobicContact CD-CZ3 4.42Å; K99-W115 VanDerWaalsContact CE-CD2 3.42Å; K99-W115 HydrophobicContact CG-CD2 4Å; K99-W115 HydrophobicContact CG-CE3 4.2Å; K99-W115 HydrophobicContact CG-CH2 3.76Å; K99-W115 HydrophobicContact CG-CZ2 3.54Å; K99-W115 HydrophobicContact CG-CZ3 4.08Å; V102-W115 HydrophobicContact CG2-CZ2 4.32Å; F113-W115 HydrophobicContact CB-CE3 4.43Å; F113-W115 HydrophobicContact CB-CH2 3.45Å; F113-W115 VanDerWaalsContact CB-CH2 3.45Å; F113-W115 HydrophobicContact CB-CZ2 3.56Å; F113-W115 HydrophobicContact CB-CZ3 3.91Å; F113-W115 HydrophobicContact CD1-CZ2 4.27Å; F113-W115 HydrophobicContact CG-CH2 4.25Å; F113-W115 HydrophobicContact CG-CZ2 4.07Å |
| 116 | H | 98.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 68 Ų | 68 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 111 | 176.5 | -54.6 | -67.9 | 0 | 0 | 0 | 108.4 | E86 V87 E89 E118 Y123 | E86-H116 IonicContact OE2-CD2 3.47Å; E86-H116 IonicContact OE2-CE1 2.84Å; E86-H116 IonicContact OE2-NE2 3.14Å; E86-H116 PolarHBondContact OE2-NE2 3.15Å; V87-H116 PolarHBondContact O-N 3.47Å; E89-H116 PolarHBondContact N-O 2.91Å; H116-E118 VanDerWaalsContact C-N 3.26Å; H116-E118 HydrophobicContact CB-CG 3.99Å; H116-E118 WeakPolarHBondContact CB-OE1 3.23Å; H116-E118 IonicContact CG-OE1 2.67Å; H116-E118 PolarHBondContact O-N 3.44Å; H116-Y123 AromaticContact CD2-CE2 3.93Å |
| 117 | K | 98.3 | Very high | 96.8 | Very high | 145 Ų | 145 | 64.3 Ų | 64.3 | 63% | 0.63 | 31% | 0.306 | S | S | * | . | trans | -81.8 | 76.1 | 177.2 | -170.8 | -164.8 | 169.3 | -174 | 0 | 110.1 | E89 P90 A92 I95 | E89-K117 WeakPolarHBondContact O-CA 3.33Å; P90-K117 WeakPolarHBondContact O-CE 3.23Å; A92-K117 HydrophobicContact CB-CD 4.21Å; I95-K117 HydrophobicContact CD1-CB 3.72Å; I95-K117 HydrophobicContact CD1-CG 3.94Å | ||
| 118 | E | 97.7 | Very high | 96.8 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -156.8 | 163.5 | -178.1 | 64.8 | -168.9 | 162.1 | 0 | 0 | 110.2 | I88 E89 H116 E122 Y123 R126 | I88-E118 HydrophobicContact CG2-CG 4.24Å; I88-E118 VanDerWaalsContact CG2-O 3.24Å; I88-E118 WeakPolarHBondContact CG2-O 3.08Å; E89-E118 CarbonylContact C-O 3.52Å; H116-E118 VanDerWaalsContact C-N 3.26Å; H116-E118 HydrophobicContact CB-CG 3.99Å; H116-E118 WeakPolarHBondContact CB-OE1 3.23Å; H116-E118 IonicContact CG-OE1 2.67Å; H116-E118 PolarHBondContact O-N 3.44Å; E118-E122 HydrophobicContact CB-CB 3.86Å; E118-E122 HydrophobicContact CG-CB 4.5Å; E118-Y123 WeakPolarHBondContact OE1-CD2 3.27Å; E118-R126 IonicContact OE1-CZ 2.72Å; E118-R126 IonicContact OE1-NE 3.87Å; E118-R126 PolarHBondContact OE1-NE 2.86Å; E118-R126 VanDerWaalsContact OE1-NE 3.09Å; E118-R126 IonicContact OE1-NH2 3.06Å; E118-R126 PolarHBondContact OE1-NH2 3.35Å; E118-R126 IonicContact OE2-NE 3.62Å; E118-R126 PolarHBondContact OE2-NE 2.67Å; E118-R126 VanDerWaalsContact OE2-NE 3.16Å |
| 119 | T | 96.8 | Very high | 96.7 | Very high | 51 Ų | 51 | 65.9 Ų | 65.9 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | trans | -78.1 | 165.6 | 171.6 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | P90 Y121 E122 Y123 | P90-T119 HydrophobicContact CB-CG2 3.96Å; P90-T119 HydrophobicContact CG-CG2 4.32Å; T119-Y121 PolarHBondContact O-N 3.18Å; T119-E122 WeakPolarHBondContact CG2-OE2 3.03Å; T119-E122 PolarHBondContact N-OE2 3.37Å; T119-E122 PolarHBondContact O-N 3.07Å; T119-E122 WeakPolarHBondContact OG1-CB 3.27Å; T119-E122 VanDerWaalsContact OG1-CG 3.28Å; T119-E122 WeakPolarHBondContact OG1-CG 3.22Å; T119-E122 PolarHBondContact OG1-N 2.86Å; T119-E122 PolarHBondContact OG1-OE2 3.28Å; T119-Y123 WeakPolarHBondContact O-CB 3.32Å; T119-Y123 PolarHBondContact O-N 2.95Å | ||
| 120 | A | 96.7 | Very high | 96.7 | Very high | 8 Ų | 8 | 63.5 Ų | 63.5 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.5 | -35.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V59 E124 M144 T154 F158 | V59-A120 HydrophobicContact CG1-CB 3.8Å; A120-E124 WeakPolarHBondContact O-CB 3.29Å; A120-E124 PolarHBondContact O-N 3.28Å; A120-M144 HydrophobicContact CB-CE 4.32Å; A120-T154 HydrophobicContact CB-CG2 4.44Å; A120-F158 HydrophobicContact CB-CE2 3.93Å; A120-F158 HydrophobicContact CB-CZ 4.1Å |
| 121 | Y | 95.3 | Very high | 96.4 | Very high | 170 Ų | 170 | 70.1 Ų | 70.1 | 67% | 0.667 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -68.9 | -45.4 | 176.6 | 175.6 | -99.2 | 0 | 0 | 0 | 112.6 | T119 Y123 E124 S125 | T119-Y121 PolarHBondContact O-N 3.18Å; Y121-Y123 VanDerWaalsContact C-N 3.33Å; Y121-E124 PolarHBondContact O-N 2.99Å; Y121-S125 WeakPolarHBondContact O-CB 3.45Å; Y121-S125 PolarHBondContact O-N 2.93Å |
| 122 | E | 97.1 | Very high | 95.8 | Very high | 99 Ų | 99 | 73 Ų | 73 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.6 | -73.7 | 164.4 | 149 | 0 | 0 | 111 | E118 T119 S125 R126 | E118-E122 HydrophobicContact CB-CB 3.86Å; E118-E122 HydrophobicContact CG-CB 4.5Å; T119-E122 WeakPolarHBondContact CG2-OE2 3.03Å; T119-E122 PolarHBondContact N-OE2 3.37Å; T119-E122 PolarHBondContact O-N 3.07Å; T119-E122 WeakPolarHBondContact OG1-CB 3.27Å; T119-E122 VanDerWaalsContact OG1-CG 3.28Å; T119-E122 WeakPolarHBondContact OG1-CG 3.22Å; T119-E122 PolarHBondContact OG1-N 2.86Å; T119-E122 PolarHBondContact OG1-OE2 3.28Å; E122-S125 PolarHBondContact O-N 3.49Å; E122-R126 WeakPolarHBondContact O-CB 3.23Å; E122-R126 PolarHBondContact O-N 3.4Å |
| 123 | Y | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 172.6 | -177.4 | -86.9 | 0 | 0 | 0 | 111.4 | L57 I88 H116 E118 T119 Y121 S125 R126 M127 W136 Y157 F158 | L57-Y123 HydrophobicContact CD2-CE1 4.28Å; I88-Y123 HydrophobicContact CD1-CD1 3.52Å; I88-Y123 HydrophobicContact CD1-CD2 3.41Å; I88-Y123 VanDerWaalsContact CD1-CD2 3.41Å; I88-Y123 HydrophobicContact CD1-CE1 3.84Å; I88-Y123 HydrophobicContact CD1-CE2 3.77Å; I88-Y123 HydrophobicContact CD1-CG 3.29Å; I88-Y123 HydrophobicContact CG1-CD1 4.49Å; I88-Y123 HydrophobicContact CG1-CD2 3.48Å; I88-Y123 VanDerWaalsContact CG1-CD2 3.48Å; I88-Y123 HydrophobicContact CG1-CE2 3.87Å; I88-Y123 HydrophobicContact CG1-CG 3.85Å; H116-Y123 AromaticContact CD2-CE2 3.93Å; E118-Y123 WeakPolarHBondContact OE1-CD2 3.27Å; T119-Y123 WeakPolarHBondContact O-CB 3.32Å; T119-Y123 PolarHBondContact O-N 2.95Å; Y121-Y123 VanDerWaalsContact C-N 3.33Å; Y123-S125 VanDerWaalsContact C-N 3.32Å; Y123-S125 PolarHBondContact O-N 3.4Å; Y123-R126 PolarHBondContact O-N 3.15Å; Y123-M127 HydrophobicContact CD1-CG 3.8Å; Y123-M127 HydrophobicContact CD2-CG 4.34Å; Y123-M127 HydrophobicContact CE1-CG 3.5Å; Y123-M127 HydrophobicContact CE1-SD 4.44Å; Y123-M127 HydrophobicContact CE2-CG 4.08Å; Y123-M127 HydrophobicContact CE2-SD 4.2Å; Y123-M127 HydrophobicContact CG-CG 4.21Å; Y123-M127 WeakPolarHBondContact O-CB 3.45Å; Y123-M127 WeakPolarHBondContact O-CG 3.28Å; Y123-M127 PolarHBondContact O-N 2.63Å; Y123-W136 WeakPolarHBondContact OH-CZ2 3.27Å; Y123-Y157 HydrophobicContact CD1-CE1 4.2Å; Y123-Y157 HydrophobicContact CE1-CE1 4.36Å; Y123-F158 HydrophobicContact CD1-CE1 4.25Å; Y123-F158 HydrophobicContact CD1-CZ 4.36Å; Y123-F158 HydrophobicContact CE1-CE1 4.32Å |
| 124 | E | 95.8 | Very high | 94.9 | Very high | 34 Ų | 34 | 72.1 Ų | 72.1 | 16% | 0.159 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.1 | -48.6 | 176.5 | 165.7 | 166.8 | -159 | 0 | 0 | 111.4 | A120 Y121 R126 N128 Y157 R160 | A120-E124 WeakPolarHBondContact O-CB 3.29Å; A120-E124 PolarHBondContact O-N 3.28Å; Y121-E124 PolarHBondContact O-N 2.99Å; E124-R126 PolarHBondContact O-N 2.72Å; E124-N128 WeakPolarHBondContact CG-ND2 3.35Å; E124-N128 VanDerWaalsContact O-CB 3.27Å; E124-N128 WeakPolarHBondContact O-CB 3.47Å; E124-N128 PolarHBondContact O-N 2.88Å; E124-N128 PolarHBondContact O-ND2 2.85Å; E124-N128 VanDerWaalsContact O-ND2 3.15Å; E124-Y157 HydrophobicContact CB-CD1 3.94Å; E124-Y157 HydrophobicContact CB-CD2 3.98Å; E124-Y157 HydrophobicContact CB-CE1 3.81Å; E124-Y157 HydrophobicContact CB-CE2 3.91Å; E124-Y157 HydrophobicContact CB-CG 4.04Å; E124-Y157 HydrophobicContact CG-CD1 4.22Å; E124-Y157 HydrophobicContact CG-CD2 3.37Å; E124-Y157 HydrophobicContact CG-CE1 4.29Å; E124-Y157 HydrophobicContact CG-CE2 3.52Å; E124-Y157 HydrophobicContact CG-CG 3.79Å; E124-Y157 WeakPolarHBondContact OE1-CD2 3.4Å; E124-R160 IonicContact OE1-NH2 2.66Å |
| 125 | S | 95.4 | Very high | 94.8 | Very high | 64 Ų | 64 | 73.2 Ų | 73.2 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | Y121 E122 Y123 A129 | Y121-S125 WeakPolarHBondContact O-CB 3.45Å; Y121-S125 PolarHBondContact O-N 2.93Å; E122-S125 PolarHBondContact O-N 3.49Å; Y123-S125 VanDerWaalsContact C-N 3.32Å; Y123-S125 PolarHBondContact O-N 3.4Å; S125-A129 WeakPolarHBondContact O-CB 3.48Å; S125-A129 PolarHBondContact O-N 2.9Å; S125-A129 VanDerWaalsContact O-N 3.09Å |
| 126 | R | 96.3 | Very high | 94.8 | Very high | 68 Ų | 68 | 70 Ų | 70 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65 | -51 | 179.7 | -178.3 | 176.5 | 62.6 | 72.5 | 1.3 | 111.4 | E118 E122 Y123 E124 N128 A129 E130 | E118-R126 IonicContact OE1-CZ 2.72Å; E118-R126 IonicContact OE1-NE 3.87Å; E118-R126 PolarHBondContact OE1-NE 2.86Å; E118-R126 VanDerWaalsContact OE1-NE 3.09Å; E118-R126 IonicContact OE1-NH2 3.06Å; E118-R126 PolarHBondContact OE1-NH2 3.35Å; E118-R126 IonicContact OE2-NE 3.62Å; E118-R126 PolarHBondContact OE2-NE 2.67Å; E118-R126 VanDerWaalsContact OE2-NE 3.16Å; E122-R126 WeakPolarHBondContact O-CB 3.23Å; E122-R126 PolarHBondContact O-N 3.4Å; Y123-R126 PolarHBondContact O-N 3.15Å; E124-R126 PolarHBondContact O-N 2.72Å; R126-N128 VanDerWaalsContact C-N 3.31Å; R126-N128 PolarHBondContact O-N 3.36Å; R126-A129 WeakPolarHBondContact O-CB 3.44Å; R126-A129 PolarHBondContact O-N 2.83Å; R126-A129 VanDerWaalsContact O-N 3.09Å; R126-E130 WeakPolarHBondContact CG-OE1 3.48Å; R126-E130 IonicContact NH1-OE1 3.52Å; R126-E130 PolarHBondContact NH1-OE1 3.23Å; R126-E130 IonicContact NH1-OE2 3.39Å; R126-E130 PolarHBondContact NH1-OE2 3.37Å; R126-E130 VanDerWaalsContact NH1-OE2 3.14Å; R126-E130 WeakPolarHBondContact O-CG 3.47Å; R126-E130 PolarHBondContact O-N 3.47Å |
| 127 | M | 95.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 68.5 Ų | 68.5 | 4% | 0.044 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.9 | -37.6 | -178.9 | -63.8 | -61.4 | -78.1 | 0 | 0 | 112 | Y123 E130 K131 D132 Y157 | Y123-M127 HydrophobicContact CD1-CG 3.8Å; Y123-M127 HydrophobicContact CD2-CG 4.34Å; Y123-M127 HydrophobicContact CE1-CG 3.5Å; Y123-M127 HydrophobicContact CE1-SD 4.44Å; Y123-M127 HydrophobicContact CE2-CG 4.08Å; Y123-M127 HydrophobicContact CE2-SD 4.2Å; Y123-M127 HydrophobicContact CG-CG 4.21Å; Y123-M127 WeakPolarHBondContact O-CB 3.45Å; Y123-M127 WeakPolarHBondContact O-CG 3.28Å; Y123-M127 PolarHBondContact O-N 2.63Å; M127-E130 PolarHBondContact O-N 3.39Å; M127-K131 PolarHBondContact O-N 2.84Å; M127-K131 VanDerWaalsContact O-N 3.1Å; M127-D132 HydrophobicContact CE-CB 3.63Å; M127-D132 VanDerWaalsContact CE-CG 3.49Å; M127-D132 VanDerWaalsContact CE-OD2 3.24Å; M127-D132 WeakPolarHBondContact CE-OD2 3.43Å; M127-D132 PolarHBondContact O-N 3.07Å; M127-D132 VanDerWaalsContact O-N 3.09Å; M127-D132 HydrophobicContact SD-CB 4.3Å; M127-Y157 WeakPolarHBondContact CB-OH 3.42Å |
| 128 | N | 93.4 | Very high | 94.8 | Very high | 87 Ų | 87 | 61.7 Ų | 61.7 | 47% | 0.465 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 173.7 | -74.8 | -25.9 | 0 | 0 | 0 | 112.1 | E124 R126 K131 | E124-N128 WeakPolarHBondContact CG-ND2 3.35Å; E124-N128 VanDerWaalsContact O-CB 3.27Å; E124-N128 WeakPolarHBondContact O-CB 3.47Å; E124-N128 PolarHBondContact O-N 2.88Å; E124-N128 PolarHBondContact O-ND2 2.85Å; E124-N128 VanDerWaalsContact O-ND2 3.15Å; R126-N128 VanDerWaalsContact C-N 3.31Å; R126-N128 PolarHBondContact O-N 3.36Å; N128-K131 PolarHBondContact O-N 2.97Å |
| 129 | A | 94.4 | Very high | 94.9 | Very high | 82 Ų | 82 | 60.5 Ų | 60.5 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.1 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S125 R126 K131 | S125-A129 WeakPolarHBondContact O-CB 3.48Å; S125-A129 PolarHBondContact O-N 2.9Å; S125-A129 VanDerWaalsContact O-N 3.09Å; R126-A129 WeakPolarHBondContact O-CB 3.44Å; R126-A129 PolarHBondContact O-N 2.83Å; R126-A129 VanDerWaalsContact O-N 3.09Å; A129-K131 PolarHBondContact O-N 3.35Å |
| 130 | E | 93.5 | Very high | 95 | Very high | 109 Ų | 109 | 58.2 Ų | 58.2 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -72.5 | -11.6 | 176.1 | -70.4 | 171 | -172.3 | 0 | 0 | 112.6 | R126 M127 D132 | R126-E130 WeakPolarHBondContact CG-OE1 3.48Å; R126-E130 IonicContact NH1-OE1 3.52Å; R126-E130 PolarHBondContact NH1-OE1 3.23Å; R126-E130 IonicContact NH1-OE2 3.39Å; R126-E130 PolarHBondContact NH1-OE2 3.37Å; R126-E130 VanDerWaalsContact NH1-OE2 3.14Å; R126-E130 WeakPolarHBondContact O-CG 3.47Å; R126-E130 PolarHBondContact O-N 3.47Å; M127-E130 PolarHBondContact O-N 3.39Å; E130-D132 HydrophobicContact CB-CB 4.44Å; E130-D132 PolarHBondContact O-N 2.77Å |
| 131 | K | 90.1 | Very high | 95.1 | Very high | 182 Ų | 182 | 57.9 Ų | 57.9 | 79% | 0.791 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 32 | -171 | -56.8 | 179.1 | -178.8 | 176.7 | 0 | 111.9 | M127 N128 A129 S133 | M127-K131 PolarHBondContact O-N 2.84Å; M127-K131 VanDerWaalsContact O-N 3.1Å; N128-K131 PolarHBondContact O-N 2.97Å; A129-K131 PolarHBondContact O-N 3.35Å; K131-S133 PolarHBondContact O-N 3.07Å |
| 132 | D | 85.7 | Confident | 95.2 | Very high | 74 Ų | 74 | 50.7 Ų | 50.7 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | trans | -73.3 | 125.9 | 175.9 | -167.6 | -14.1 | 0 | 0 | 0 | 108.6 | M127 E130 K134 | M127-D132 HydrophobicContact CE-CB 3.63Å; M127-D132 VanDerWaalsContact CE-CG 3.49Å; M127-D132 VanDerWaalsContact CE-OD2 3.24Å; M127-D132 WeakPolarHBondContact CE-OD2 3.43Å; M127-D132 PolarHBondContact O-N 3.07Å; M127-D132 VanDerWaalsContact O-N 3.09Å; M127-D132 HydrophobicContact SD-CB 4.3Å; E130-D132 HydrophobicContact CB-CB 4.44Å; E130-D132 PolarHBondContact O-N 2.77Å; D132-K134 VanDerWaalsContact OD1-CB 3.29Å; D132-K134 WeakPolarHBondContact OD1-CB 3.48Å; D132-K134 PolarHBondContact OD1-N 2.76Å | ||
| 133 | S | 83.5 | Confident | 95.2 | Very high | 98 Ų | 98 | 47.8 Ų | 47.8 | 69% | 0.685 | 25% | 0.254 | S | S | * | . | trans | -108.9 | 19.1 | -178.7 | 55.1 | 0 | 0 | 0 | 0 | 112 | K131 K135 | K131-S133 PolarHBondContact O-N 3.07Å; S133-K135 PolarHBondContact O-N 2.85Å | ||
| 134 | K | 93.9 | Very high | 95.1 | Very high | 49 Ų | 49 | 48.8 Ų | 48.8 | 21% | 0.213 | 26% | 0.259 | C | S | . | . | trans | -50.7 | 127.6 | 178 | -173.3 | 174.9 | -176.3 | -166.9 | 0 | 111 | E86 D132 W136 | E86-K134 VanDerWaalsContact CD-NZ 3.35Å; E86-K134 IonicContact OE1-NZ 3.16Å; E86-K134 PolarHBondContact OE1-NZ 2.87Å; D132-K134 VanDerWaalsContact OD1-CB 3.29Å; D132-K134 WeakPolarHBondContact OD1-CB 3.48Å; D132-K134 PolarHBondContact OD1-N 2.76Å; K134-W136 HydrophobicContact CD-CH2 3.99Å; K134-W136 HydrophobicContact CD-CZ2 3.65Å; K134-W136 HydrophobicContact CG-CZ2 4.2Å | ||
| 135 | K | 96.7 | Very high | 95.2 | Very high | 83 Ų | 83 | 47.3 Ų | 47.3 | 36% | 0.361 | 25% | 0.252 | S | S | . | . | trans | -102.1 | 156.4 | 176 | -62 | -66.3 | -168.7 | 153.3 | 0 | 111.1 | S133 R160 L161 E163 | S133-K135 PolarHBondContact O-N 2.85Å; K135-R160 PolarHBondContact NZ-O 2.83Å; K135-L161 CarbonylContact C-O 3.56Å; K135-L161 WeakPolarHBondContact CA-O 3.44Å; K135-L161 WeakPolarHBondContact CD-O 3.35Å; K135-E163 HydrophobicContact CB-CG 3.67Å; K135-E163 WeakPolarHBondContact CB-OE1 3.38Å | ||
| 136 | W | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.7 | -174.2 | -57 | 90.3 | 0 | 0 | 0 | 111.2 | N55 I56 L57 E86 Y123 K134 I139 L161 E163 A166 | N55-W136 HydrophobicContact CB-CD2 4.49Å; N55-W136 HydrophobicContact CB-CE3 3.69Å; N55-W136 HydrophobicContact CB-CZ3 4.12Å; I56-W136 VanDerWaalsContact C-CE3 3.42Å; I56-W136 WeakPolarHBondContact O-CZ3 3.42Å; L57-W136 HydrophobicContact CB-CD2 3.63Å; L57-W136 HydrophobicContact CB-CE3 3.64Å; L57-W136 HydrophobicContact CB-CG 4.07Å; L57-W136 HydrophobicContact CB-CH2 4.22Å; L57-W136 HydrophobicContact CB-CZ2 4.27Å; L57-W136 HydrophobicContact CB-CZ3 3.95Å; L57-W136 HydrophobicContact CD1-CH2 3.85Å; L57-W136 HydrophobicContact CD1-CZ2 3.89Å; L57-W136 HydrophobicContact CD1-CZ3 4.34Å; L57-W136 HydrophobicContact CD2-CD2 4.28Å; L57-W136 HydrophobicContact CD2-CG 4.5Å; L57-W136 HydrophobicContact CD2-CZ2 4.15Å; L57-W136 HydrophobicContact CG-CD2 4.45Å; L57-W136 HydrophobicContact CG-CZ2 4.34Å; E86-W136 HydrophobicContact CB-CH2 3.62Å; E86-W136 HydrophobicContact CB-CZ3 4.05Å; E86-W136 VanDerWaalsContact CD-CH2 3.48Å; E86-W136 HydrophobicContact CG-CH2 3.53Å; E86-W136 HydrophobicContact CG-CZ3 3.94Å; Y123-W136 WeakPolarHBondContact OH-CZ2 3.27Å; K134-W136 HydrophobicContact CD-CH2 3.99Å; K134-W136 HydrophobicContact CD-CZ2 3.65Å; K134-W136 HydrophobicContact CG-CZ2 4.2Å; W136-I139 HydrophobicContact CB-CD1 3.94Å; W136-I139 HydrophobicContact CB-CG1 3.6Å; W136-I139 HydrophobicContact CG-CD1 4.17Å; W136-I139 HydrophobicContact CG-CG1 4.08Å; W136-L161 PolarHBondContact N-O 2.89Å; W136-E163 PolarHBondContact O-N 3.16Å; W136-A166 WeakPolarHBondContact O-CB 3.36Å |
| 137 | D | 98.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -25.8 | 179.4 | -56.3 | -45.4 | 0 | 0 | 0 | 111 | I47 K51 I54 N55 A166 K167 | I47-D137 HydrophobicContact CB-CB 4.39Å; I47-D137 WeakPolarHBondContact CB-O 3.33Å; I47-D137 WeakPolarHBondContact CG2-O 3.27Å; K51-D137 IonicContact NZ-OD1 2.76Å; K51-D137 PolarHBondContact NZ-OD1 3.07Å; I54-D137 VanDerWaalsContact CA-OD2 3.3Å; I54-D137 WeakPolarHBondContact CA-OD2 3.29Å; I54-D137 HydrophobicContact CG2-CB 3.9Å; N55-D137 PolarHBondContact N-OD2 2.61Å; N55-D137 WeakPolarHBondContact O-CB 3.19Å; N55-D137 PolarHBondContact O-N 2.93Å; D137-A166 WeakPolarHBondContact O-CA 3.32Å; D137-A166 VanDerWaalsContact O-CB 3.23Å; D137-A166 WeakPolarHBondContact O-CB 3.48Å; D137-K167 PolarHBondContact O-N 2.78Å |
| 138 | F | 98.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 130 | 173.3 | -174.2 | -129.8 | 0 | 0 | 0 | 109.5 | L40 I44 I47 N55 I56 L57 M70 H140 K167 L169 | L40-F138 HydrophobicContact CD1-CZ 4.15Å; I44-F138 HydrophobicContact CG2-CD2 4.48Å; I44-F138 HydrophobicContact CG2-CE2 4.35Å; I47-F138 HydrophobicContact CD1-CB 3.9Å; I47-F138 HydrophobicContact CD1-CG 4.46Å; N55-F138 PolarHBondContact O-N 3.05Å; I56-F138 CarbonylContact C-O 3.57Å; I56-F138 VanDerWaalsContact CA-O 3.27Å; I56-F138 WeakPolarHBondContact CA-O 3.47Å; I56-F138 HydrophobicContact CG1-CB 4.18Å; I56-F138 HydrophobicContact CG2-CB 4.41Å; I56-F138 HydrophobicContact CG2-CD1 3.89Å; L57-F138 PolarHBondContact N-O 3.44Å; M70-F138 HydrophobicContact SD-CE1 3.99Å; M70-F138 HydrophobicContact SD-CZ 4.17Å; F138-H140 HydrophobicContact CE1-CB 4.18Å; F138-H140 AromaticContact CE1-CD2 3.71Å; F138-H140 HydrophobicContact CZ-CB 4.11Å; F138-K167 WeakPolarHBondContact CA-O 3.3Å; F138-K167 HydrophobicContact CD2-CB 4.06Å; F138-K167 WeakPolarHBondContact CD2-O 3.24Å; F138-K167 HydrophobicContact CE2-CB 4.34Å; F138-L169 HydrophobicContact CE2-CB 3.71Å; F138-L169 HydrophobicContact CE2-CD1 4.37Å; F138-L169 HydrophobicContact CZ-CB 3.88Å; F138-L169 HydrophobicContact CZ-CD1 4.11Å; F138-L169 HydrophobicContact CZ-CG 4.49Å |
| 139 | I | 98.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 137.2 | 171.5 | -53.9 | 179.5 | 0 | 0 | 0 | 106.8 | L57 V59 W136 F158 L161 L162 K167 L168 L169 | L57-I139 HydrophobicContact CB-CG1 4.14Å; L57-I139 HydrophobicContact CB-CG2 4.28Å; L57-I139 HydrophobicContact CD2-CG2 4.47Å; L57-I139 VanDerWaalsContact O-CA 3.31Å; L57-I139 WeakPolarHBondContact O-CA 3.25Å; V59-I139 HydrophobicContact CG2-CG2 4Å; W136-I139 HydrophobicContact CB-CD1 3.94Å; W136-I139 HydrophobicContact CB-CG1 3.6Å; W136-I139 HydrophobicContact CG-CD1 4.17Å; W136-I139 HydrophobicContact CG-CG1 4.08Å; I139-F158 HydrophobicContact CD1-CB 4.32Å; I139-F158 HydrophobicContact CD1-CD1 4.49Å; I139-F158 VanDerWaalsContact CD1-O 3.23Å; I139-F158 WeakPolarHBondContact CD1-O 3.49Å; I139-F158 HydrophobicContact CG2-CB 4.4Å; I139-F158 HydrophobicContact CG2-CD1 4.22Å; I139-L161 HydrophobicContact CD1-CB 4.09Å; I139-L162 HydrophobicContact CB-CD2 4.41Å; I139-L162 HydrophobicContact CD1-CD2 3.79Å; I139-L162 HydrophobicContact CD1-CG 4.43Å; I139-L162 HydrophobicContact CG1-CD2 3.89Å; I139-K167 PolarHBondContact N-O 3.21Å; I139-L168 HydrophobicContact CB-CD1 3.73Å; I139-L168 HydrophobicContact CG2-CD1 3.59Å; I139-L168 CarbonylContact O-C 3.51Å; I139-L168 WeakPolarHBondContact O-CA 3.36Å; I139-L169 PolarHBondContact O-N 2.68Å |
| 140 | H | 98.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.9 | 173.1 | 63.6 | 83.5 | 0 | 0 | 0 | 113.2 | L57 S58 V59 D67 M70 F138 L169 | L57-H140 PolarHBondContact O-N 3.47Å; S58-H140 VanDerWaalsContact CA-CE1 3.48Å; S58-H140 WeakPolarHBondContact CA-CE1 3.2Å; S58-H140 WeakPolarHBondContact CB-CE1 3.4Å; S58-H140 WeakPolarHBondContact CB-NE2 3.27Å; S58-H140 PolarHBondContact OG-CE1 3.35Å; V59-H140 PolarHBondContact N-O 2.83Å; D67-H140 IonicContact OD1-CE1 2.68Å; D67-H140 IonicContact OD1-NE2 2.61Å; D67-H140 IonicContact OD2-CE1 3.4Å; M70-H140 HydrophobicContact CE-CB 4.27Å; M70-H140 WeakPolarHBondContact CE-CE1 3.42Å; M70-H140 WeakPolarHBondContact CE-ND1 3.49Å; M70-H140 WeakPolarHBondContact CE-NE2 3.49Å; M70-H140 HydrophobicContact SD-CB 4.48Å; F138-H140 HydrophobicContact CE1-CB 4.18Å; F138-H140 AromaticContact CE1-CD2 3.71Å; F138-H140 HydrophobicContact CZ-CB 4.11Å; H140-L169 CarbonylContact C-O 3.57Å; H140-L169 WeakPolarHBondContact CA-O 3.41Å; H140-L169 HydrophobicContact CB-CB 4.25Å; H140-L169 HydrophobicContact CB-CD2 4.12Å |
| 141 | M | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 95.5 | 178.7 | -60.7 | 176.5 | -178.8 | 0 | 0 | 108.3 | V59 M144 L145 T154 F158 L168 L169 I170 I171 | V59-M141 HydrophobicContact CB-CG 4.02Å; V59-M141 HydrophobicContact CG2-CE 4.3Å; V59-M141 HydrophobicContact CG2-CG 4.15Å; M141-M144 HydrophobicContact CB-CG 4.07Å; M141-M144 HydrophobicContact CB-SD 3.89Å; M141-M144 HydrophobicContact CG-SD 4.14Å; M141-L145 HydrophobicContact SD-CD2 3.84Å; M141-L145 HydrophobicContact SD-CG 4.38Å; M141-T154 HydrophobicContact CE-CG2 4.48Å; M141-F158 HydrophobicContact CE-CB 3.4Å; M141-F158 HydrophobicContact CE-CD1 4.23Å; M141-F158 HydrophobicContact CE-CD2 3.1Å; M141-F158 HydrophobicContact CE-CE2 3.9Å; M141-F158 HydrophobicContact CE-CG 3.3Å; M141-L168 HydrophobicContact CE-CD1 4.02Å; M141-L168 HydrophobicContact CG-CD1 4.35Å; M141-L168 HydrophobicContact SD-CD1 4.33Å; M141-L169 PolarHBondContact N-O 2.96Å; M141-I170 HydrophobicContact CB-CG1 4.32Å; M141-I170 WeakPolarHBondContact O-CA 3.38Å; M141-I170 HydrophobicContact SD-CD1 4.47Å; M141-I170 HydrophobicContact SD-CG1 4.31Å; M141-I171 PolarHBondContact O-N 3.32Å |
| 142 | V | 98.3 | Very high | 95 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.1 | -175 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | M32 I66 M70 M144 I171 | M32-V142 HydrophobicContact CE-CG1 4.09Å; M32-V142 HydrophobicContact SD-CG1 3.89Å; I66-V142 HydrophobicContact CG2-CG1 4.37Å; I66-V142 HydrophobicContact CG2-CG2 4.22Å; M70-V142 HydrophobicContact CE-CG2 4.44Å; V142-M144 PolarHBondContact O-N 3.09Å; V142-M144 VanDerWaalsContact O-N 3.07Å; V142-I171 HydrophobicContact CG1-CB 4.19Å; V142-I171 HydrophobicContact CG1-CD1 4.28Å; V142-I171 HydrophobicContact CG2-CB 4.49Å; V142-I171 HydrophobicContact CG2-CD1 4.05Å; V142-I171 HydrophobicContact CG2-CG1 4.11Å |
| 143 | Q | 96.3 | Very high | 95.6 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 18% | 0.178 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 51.3 | 33.8 | 173.7 | -62.5 | -69.4 | 35.6 | 0 | 0 | 115.5 | E28 M32 Y146 I171 L285 | E28-Q143 WeakPolarHBondContact OE1-CG 2.95Å; E28-Q143 PolarHBondContact OE1-NE2 3.19Å; M32-Q143 HydrophobicContact CE-CG 3.62Å; Q143-Y146 HydrophobicContact CB-CE2 4.25Å; Q143-Y146 WeakPolarHBondContact O-CD2 3.41Å; Q143-Y146 VanDerWaalsContact OE1-CZ 3.29Å; Q143-Y146 PolarHBondContact OE1-OH 2.84Å; Q143-I171 PolarHBondContact N-O 3.43Å; Q143-L285 VanDerWaalsContact NE2-CD2 3.33Å |
| 144 | M | 95.9 | Very high | 96.2 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | trans | -124.4 | -15.2 | -171.6 | 65.5 | 80.2 | 62 | 0 | 0 | 115.1 | V59 A120 M141 V142 Y146 Y147 V148 | V59-M144 HydrophobicContact CB-CE 4.15Å; V59-M144 HydrophobicContact CG1-CE 3.44Å; V59-M144 VanDerWaalsContact CG1-CE 3.44Å; V59-M144 HydrophobicContact CG1-SD 4.34Å; V59-M144 WeakPolarHBondContact O-CG 3.48Å; A120-M144 HydrophobicContact CB-CE 4.32Å; M141-M144 HydrophobicContact CB-CG 4.07Å; M141-M144 HydrophobicContact CB-SD 3.89Å; M141-M144 HydrophobicContact CG-SD 4.14Å; V142-M144 PolarHBondContact O-N 3.09Å; V142-M144 VanDerWaalsContact O-N 3.07Å; M144-Y146 PolarHBondContact O-N 3.18Å; M144-Y147 WeakPolarHBondContact O-CD2 3.33Å; M144-Y147 PolarHBondContact O-N 3.49Å; M144-Y147 VanDerWaalsContact O-N 3.09Å; M144-V148 HydrophobicContact CE-CG2 4.23Å; M144-V148 HydrophobicContact SD-CG2 4.41Å | ||
| 145 | L | 96.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -67.1 | -18.1 | -177.4 | -74.5 | -179.4 | 0 | 0 | 0 | 113.3 | M141 Y147 V148 I151 T154 I155 I170 I199 I204 | M141-L145 HydrophobicContact SD-CD2 3.84Å; M141-L145 HydrophobicContact SD-CG 4.38Å; L145-Y147 PolarHBondContact O-N 3.02Å; L145-V148 HydrophobicContact CD2-CG2 4.17Å; L145-V148 PolarHBondContact O-N 2.84Å; L145-I151 HydrophobicContact CD1-CG2 4.4Å; L145-T154 HydrophobicContact CD2-CG2 4.5Å; L145-I155 HydrophobicContact CD1-CD1 4.33Å; L145-I170 HydrophobicContact CD1-CD1 4.14Å; L145-I170 HydrophobicContact CD1-CG2 3.51Å; L145-I170 HydrophobicContact CG-CG2 4.43Å; L145-I199 HydrophobicContact CB-CD1 3.61Å; L145-I204 HydrophobicContact CD1-CD1 3.99Å |
| 146 | Y | 94 | Very high | 96.5 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 8% | 0.078 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -57.1 | -28.9 | 171.8 | -44.2 | -69 | 0 | 0 | 0 | 112.4 | Q143 M144 L172 V173 W183 C196 F197 I199 | Q143-Y146 HydrophobicContact CB-CE2 4.25Å; Q143-Y146 WeakPolarHBondContact O-CD2 3.41Å; Q143-Y146 VanDerWaalsContact OE1-CZ 3.29Å; Q143-Y146 PolarHBondContact OE1-OH 2.84Å; M144-Y146 PolarHBondContact O-N 3.18Å; Y146-L172 WeakPolarHBondContact OH-CA 3.27Å; Y146-L172 WeakPolarHBondContact OH-CB 3.28Å; Y146-V173 HydrophobicContact CE1-CG2 4.27Å; Y146-V173 PolarHBondContact OH-N 3.35Å; Y146-W183 HydrophobicContact CE1-CH2 4.13Å; Y146-C196 CarbonylContact O-C 3.54Å; Y146-C196 VanDerWaalsContact O-CA 3.29Å; Y146-C196 WeakPolarHBondContact O-CA 3.28Å; Y146-F197 WeakPolarHBondContact O-CD2 3.37Å; Y146-F197 PolarHBondContact O-N 3.22Å; Y146-I199 HydrophobicContact CD1-CD1 4.33Å; Y146-I199 HydrophobicContact CD1-CG1 3.69Å; Y146-I199 HydrophobicContact CE1-CG1 3.98Å; Y146-I199 WeakPolarHBondContact CE1-O 3.41Å |
| 147 | Y | 92.4 | Very high | 96.4 | Very high | 90 Ų | 90 | 32.6 Ų | 32.6 | 35% | 0.353 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -99.5 | 15.2 | -174.4 | -46.1 | -65.8 | 0 | 0 | 0 | 112.8 | I9 Y15 M144 L145 | I9-Y147 HydrophobicContact CD1-CD1 4.43Å; I9-Y147 HydrophobicContact CD1-CE1 3.99Å; Y15-Y147 PolarHBondContact OH-OH 3.3Å; M144-Y147 WeakPolarHBondContact O-CD2 3.33Å; M144-Y147 PolarHBondContact O-N 3.49Å; M144-Y147 VanDerWaalsContact O-N 3.09Å; L145-Y147 PolarHBondContact O-N 3.02Å |
| 148 | V | 92.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | trans | -109.4 | 127.9 | -177.8 | 174.3 | 0 | 0 | 0 | 0 | 109.9 | M144 L145 I151 T154 F197 | M144-V148 HydrophobicContact CE-CG2 4.23Å; M144-V148 HydrophobicContact SD-CG2 4.41Å; L145-V148 HydrophobicContact CD2-CG2 4.17Å; L145-V148 PolarHBondContact O-N 2.84Å; V148-I151 HydrophobicContact CB-CG1 4.26Å; V148-I151 HydrophobicContact CG1-CG1 4.29Å; V148-T154 HydrophobicContact CG1-CG2 3.98Å; V148-T154 WeakPolarHBondContact CG1-OG1 3.45Å; V148-F197 WeakPolarHBondContact O-CD2 3.39Å; V148-F197 WeakPolarHBondContact O-CE2 3.44Å | ||
| 149 | K | 89.2 | Confident | 96.4 | Very high | 167 Ų | 167 | 33.5 Ų | 33.5 | 73% | 0.726 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -71.6 | -42.9 | -176.5 | -171.8 | 173.3 | -176.3 | 170.3 | 0 | 114.2 | ||
| 150 | D | 94.3 | Very high | 96.3 | Very high | 84 Ų | 84 | 40.1 Ų | 40.1 | 45% | 0.449 | 18% | 0.183 | S | C | . | . | trans | -120.4 | 85.6 | 178.1 | -170.2 | -24.4 | 0 | 0 | 0 | 109.1 | P152 A153 T154 | D150-P152 WeakPolarHBondContact OD1-CD 3.35Å; D150-A153 HydrophobicContact CB-CB 3.96Å; D150-A153 PolarHBondContact O-N 2.9Å; D150-A153 VanDerWaalsContact OD1-CB 3.23Å; D150-A153 WeakPolarHBondContact OD1-CB 3.29Å; D150-A153 PolarHBondContact OD1-N 3.06Å; D150-A153 WeakPolarHBondContact OD2-CB 3.47Å; D150-T154 WeakPolarHBondContact O-CB 3.47Å; D150-T154 PolarHBondContact O-N 2.91Å; D150-T154 PolarHBondContact O-OG1 3.13Å | ||
| 151 | I | 96 | Very high | 96.2 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | -178 | -62.2 | 153.2 | 0 | 0 | 0 | 111.2 | L145 V148 A153 T154 I155 I199 I204 I207 | L145-I151 HydrophobicContact CD1-CG2 4.4Å; V148-I151 HydrophobicContact CB-CG1 4.26Å; V148-I151 HydrophobicContact CG1-CG1 4.29Å; I151-A153 PolarHBondContact O-N 3.31Å; I151-T154 PolarHBondContact O-N 3.23Å; I151-I155 HydrophobicContact CG2-CD1 3.78Å; I151-I155 HydrophobicContact CG2-CG1 4.34Å; I151-I155 WeakPolarHBondContact O-CG1 3.35Å; I151-I155 PolarHBondContact O-N 3.05Å; I151-I199 HydrophobicContact CD1-CD1 3.51Å; I151-I199 HydrophobicContact CD1-CG1 4.44Å; I151-I199 HydrophobicContact CD1-CG2 3.66Å; I151-I199 HydrophobicContact CG1-CD1 4.28Å; I151-I204 HydrophobicContact CG2-CD1 3.6Å; I151-I207 HydrophobicContact CG2-CD1 4.02Å |
| 152 | P | 97.1 | Very high | 96.2 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 28% | 0.279 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 175.8 | -24.8 | 33.9 | 0 | 0 | 0 | 113.5 | D150 R156 I207 | D150-P152 WeakPolarHBondContact OD1-CD 3.35Å; P152-R156 WeakPolarHBondContact O-CB 3.48Å; P152-R156 VanDerWaalsContact O-CG 3.31Å; P152-R156 WeakPolarHBondContact O-CG 3.42Å; P152-R156 PolarHBondContact O-N 2.87Å; P152-I207 HydrophobicContact CB-CG2 4.06Å; P152-I207 HydrophobicContact CG-CD1 3.92Å; P152-I207 HydrophobicContact CG-CG1 4.15Å; P152-I207 HydrophobicContact CG-CG2 4.25Å |
| 153 | A | 96.9 | Very high | 96.2 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D150 I151 R156 Y157 | D150-A153 HydrophobicContact CB-CB 3.96Å; D150-A153 PolarHBondContact O-N 2.9Å; D150-A153 VanDerWaalsContact OD1-CB 3.23Å; D150-A153 WeakPolarHBondContact OD1-CB 3.29Å; D150-A153 PolarHBondContact OD1-N 3.06Å; D150-A153 WeakPolarHBondContact OD2-CB 3.47Å; I151-A153 PolarHBondContact O-N 3.31Å; A153-R156 VanDerWaalsContact CA-NH2 3.34Å; A153-R156 PolarHBondContact O-N 3.4Å; A153-Y157 WeakPolarHBondContact O-CB 3.12Å; A153-Y157 PolarHBondContact O-N 3.11Å |
| 154 | T | 97.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -49.6 | 179.1 | -60 | 0 | 0 | 0 | 0 | 111.2 | A120 M141 L145 V148 D150 I151 R156 Y157 F158 | A120-T154 HydrophobicContact CB-CG2 4.44Å; M141-T154 HydrophobicContact CE-CG2 4.48Å; L145-T154 HydrophobicContact CD2-CG2 4.5Å; V148-T154 HydrophobicContact CG1-CG2 3.98Å; V148-T154 WeakPolarHBondContact CG1-OG1 3.45Å; D150-T154 WeakPolarHBondContact O-CB 3.47Å; D150-T154 PolarHBondContact O-N 2.91Å; D150-T154 PolarHBondContact O-OG1 3.13Å; I151-T154 PolarHBondContact O-N 3.23Å; T154-R156 VanDerWaalsContact C-N 3.33Å; T154-R156 PolarHBondContact O-N 2.93Å; T154-Y157 PolarHBondContact O-N 3.4Å; T154-Y157 VanDerWaalsContact O-N 3.11Å; T154-F158 HydrophobicContact CG2-CD2 3.77Å; T154-F158 HydrophobicContact CG2-CE2 3.72Å; T154-F158 VanDerWaalsContact O-CD2 3.27Å; T154-F158 WeakPolarHBondContact O-CD2 3.36Å; T154-F158 PolarHBondContact O-N 3.39Å |
| 155 | I | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 176.4 | -68.8 | 173.6 | 0 | 0 | 0 | 110.4 | L145 I151 Y157 F158 H159 I170 I204 L208 I290 | L145-I155 HydrophobicContact CD1-CD1 4.33Å; I151-I155 HydrophobicContact CG2-CD1 3.78Å; I151-I155 HydrophobicContact CG2-CG1 4.34Å; I151-I155 WeakPolarHBondContact O-CG1 3.35Å; I151-I155 PolarHBondContact O-N 3.05Å; I155-Y157 VanDerWaalsContact C-N 3.32Å; I155-Y157 PolarHBondContact O-N 3.03Å; I155-F158 PolarHBondContact O-N 3.37Å; I155-H159 WeakPolarHBondContact O-CB 3.23Å; I155-H159 PolarHBondContact O-N 2.81Å; I155-I170 HydrophobicContact CD1-CD1 4.05Å; I155-I170 HydrophobicContact CG1-CD1 4.13Å; I155-I204 HydrophobicContact CD1-CD1 4.06Å; I155-I204 HydrophobicContact CD1-CG2 4Å; I155-L208 HydrophobicContact CG2-CD2 3.76Å; I155-I290 HydrophobicContact CG2-CD1 4.44Å |
| 156 | R | 97.6 | Very high | 96.1 | Very high | 126 Ų | 126 | 49.2 Ų | 49.2 | 48% | 0.475 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 175.6 | -76.1 | -169.9 | -53.7 | -93.4 | -0.7 | 112.3 | P152 A153 T154 R160 | P152-R156 WeakPolarHBondContact O-CB 3.48Å; P152-R156 VanDerWaalsContact O-CG 3.31Å; P152-R156 WeakPolarHBondContact O-CG 3.42Å; P152-R156 PolarHBondContact O-N 2.87Å; A153-R156 VanDerWaalsContact CA-NH2 3.34Å; A153-R156 PolarHBondContact O-N 3.4Å; T154-R156 VanDerWaalsContact C-N 3.33Å; T154-R156 PolarHBondContact O-N 2.93Å; R156-R160 VanDerWaalsContact O-CG 3.23Å; R156-R160 WeakPolarHBondContact O-CG 3.44Å; R156-R160 PolarHBondContact O-N 3Å; R156-R160 VanDerWaalsContact O-N 3.15Å; R156-R160 PolarHBondContact O-NE 3.3Å |
| 157 | Y | 97.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -56.3 | 179.5 | 171.9 | -96.4 | 0 | 0 | 0 | 110.5 | Y123 E124 M127 A153 T154 I155 H159 R160 L161 | Y123-Y157 HydrophobicContact CD1-CE1 4.2Å; Y123-Y157 HydrophobicContact CE1-CE1 4.36Å; E124-Y157 HydrophobicContact CB-CD1 3.94Å; E124-Y157 HydrophobicContact CB-CD2 3.98Å; E124-Y157 HydrophobicContact CB-CE1 3.81Å; E124-Y157 HydrophobicContact CB-CE2 3.91Å; E124-Y157 HydrophobicContact CB-CG 4.04Å; E124-Y157 HydrophobicContact CG-CD1 4.22Å; E124-Y157 HydrophobicContact CG-CD2 3.37Å; E124-Y157 HydrophobicContact CG-CE1 4.29Å; E124-Y157 HydrophobicContact CG-CE2 3.52Å; E124-Y157 HydrophobicContact CG-CG 3.79Å; E124-Y157 WeakPolarHBondContact OE1-CD2 3.4Å; M127-Y157 WeakPolarHBondContact CB-OH 3.42Å; A153-Y157 WeakPolarHBondContact O-CB 3.12Å; A153-Y157 PolarHBondContact O-N 3.11Å; T154-Y157 PolarHBondContact O-N 3.4Å; T154-Y157 VanDerWaalsContact O-N 3.11Å; I155-Y157 VanDerWaalsContact C-N 3.32Å; I155-Y157 PolarHBondContact O-N 3.03Å; Y157-H159 PolarHBondContact O-N 2.97Å; Y157-R160 PolarHBondContact O-N 3.06Å; Y157-L161 HydrophobicContact CD1-CD1 4.32Å; Y157-L161 HydrophobicContact CE1-CD1 3.63Å; Y157-L161 HydrophobicContact CE1-CG 4.41Å |
| 158 | F | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69 | -34.5 | -177.2 | -73 | -75.4 | 0 | 0 | 0 | 112.8 | L57 V59 I88 A120 Y123 I139 M141 T154 I155 R160 L161 | L57-F158 HydrophobicContact CD2-CD1 3.82Å; L57-F158 HydrophobicContact CD2-CE1 3.63Å; V59-F158 HydrophobicContact CG1-CE2 4.24Å; V59-F158 HydrophobicContact CG1-CZ 3.91Å; V59-F158 HydrophobicContact CG2-CD1 4.06Å; V59-F158 HydrophobicContact CG2-CE1 3.72Å; V59-F158 HydrophobicContact CG2-CE2 4.46Å; V59-F158 HydrophobicContact CG2-CZ 3.94Å; I88-F158 HydrophobicContact CD1-CE1 3.92Å; I88-F158 HydrophobicContact CD1-CZ 3.98Å; A120-F158 HydrophobicContact CB-CE2 3.93Å; A120-F158 HydrophobicContact CB-CZ 4.1Å; Y123-F158 HydrophobicContact CD1-CE1 4.25Å; Y123-F158 HydrophobicContact CD1-CZ 4.36Å; Y123-F158 HydrophobicContact CE1-CE1 4.32Å; I139-F158 HydrophobicContact CD1-CB 4.32Å; I139-F158 HydrophobicContact CD1-CD1 4.49Å; I139-F158 VanDerWaalsContact CD1-O 3.23Å; I139-F158 WeakPolarHBondContact CD1-O 3.49Å; I139-F158 HydrophobicContact CG2-CB 4.4Å; I139-F158 HydrophobicContact CG2-CD1 4.22Å; M141-F158 HydrophobicContact CE-CB 3.4Å; M141-F158 HydrophobicContact CE-CD1 4.23Å; M141-F158 HydrophobicContact CE-CD2 3.1Å; M141-F158 HydrophobicContact CE-CE2 3.9Å; M141-F158 HydrophobicContact CE-CG 3.3Å; T154-F158 HydrophobicContact CG2-CD2 3.77Å; T154-F158 HydrophobicContact CG2-CE2 3.72Å; T154-F158 VanDerWaalsContact O-CD2 3.27Å; T154-F158 WeakPolarHBondContact O-CD2 3.36Å; T154-F158 PolarHBondContact O-N 3.39Å; I155-F158 PolarHBondContact O-N 3.37Å; F158-R160 VanDerWaalsContact C-N 3.32Å; F158-R160 PolarHBondContact O-N 2.91Å; F158-L161 HydrophobicContact CD1-CD1 4.13Å; F158-L161 WeakPolarHBondContact O-CB 3.31Å; F158-L161 PolarHBondContact O-N 2.94Å |
| 159 | H | 98.3 | Very high | 97 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 11% | 0.106 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57 | -44.1 | 172.2 | 177.1 | -91.7 | 0 | 0 | 0 | 111.9 | I155 Y157 L161 L162 L168 E291 P292 | I155-H159 WeakPolarHBondContact O-CB 3.23Å; I155-H159 PolarHBondContact O-N 2.81Å; Y157-H159 PolarHBondContact O-N 2.97Å; H159-L161 PolarHBondContact O-N 3.45Å; H159-L161 VanDerWaalsContact O-N 3.08Å; H159-L162 VanDerWaalsContact O-CB 3.29Å; H159-L162 WeakPolarHBondContact O-CB 3.45Å; H159-L162 VanDerWaalsContact O-CG 3.27Å; H159-L162 WeakPolarHBondContact O-CG 3.17Å; H159-L162 PolarHBondContact O-N 3.42Å; H159-L168 HydrophobicContact CB-CD2 4.44Å; H159-E291 PolarHBondContact CD2-O 2.68Å; H159-E291 PolarHBondContact NE2-O 2.88Å; H159-P292 PolarHBondContact CE1-OXT 3.34Å; H159-P292 PolarHBondContact NE2-OXT 2.85Å; H159-P292 VanDerWaalsContact NE2-OXT 3.13Å |
| 160 | R | 97.1 | Very high | 97.4 | Very high | 139 Ų | 139 | 36.5 Ų | 36.5 | 53% | 0.525 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.7 | 176.7 | -69.1 | 175 | -50.4 | 178.4 | 5.7 | 113.7 | E124 K135 R156 Y157 F158 L162 | E124-R160 IonicContact OE1-NH2 2.66Å; K135-R160 PolarHBondContact NZ-O 2.83Å; R156-R160 VanDerWaalsContact O-CG 3.23Å; R156-R160 WeakPolarHBondContact O-CG 3.44Å; R156-R160 PolarHBondContact O-N 3Å; R156-R160 VanDerWaalsContact O-N 3.15Å; R156-R160 PolarHBondContact O-NE 3.3Å; Y157-R160 PolarHBondContact O-N 3.06Å; F158-R160 VanDerWaalsContact C-N 3.32Å; F158-R160 PolarHBondContact O-N 2.91Å; R160-L162 VanDerWaalsContact C-N 3.32Å |
| 161 | L | 97.9 | Very high | 97.6 | Very high | 20 Ų | 20 | 32.6 Ų | 32.6 | 11% | 0.105 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -1.6 | 177.9 | -51.4 | -179.7 | 0 | 0 | 0 | 112.9 | K135 W136 I139 Y157 F158 H159 | K135-L161 CarbonylContact C-O 3.56Å; K135-L161 WeakPolarHBondContact CA-O 3.44Å; K135-L161 WeakPolarHBondContact CD-O 3.35Å; W136-L161 PolarHBondContact N-O 2.89Å; I139-L161 HydrophobicContact CD1-CB 4.09Å; Y157-L161 HydrophobicContact CD1-CD1 4.32Å; Y157-L161 HydrophobicContact CE1-CD1 3.63Å; Y157-L161 HydrophobicContact CE1-CG 4.41Å; F158-L161 HydrophobicContact CD1-CD1 4.13Å; F158-L161 WeakPolarHBondContact O-CB 3.31Å; F158-L161 PolarHBondContact O-N 2.94Å; H159-L161 PolarHBondContact O-N 3.45Å; H159-L161 VanDerWaalsContact O-N 3.08Å |
| 162 | L | 98.4 | Very high | 97.7 | Very high | 11 Ų | 11 | 32 Ų | 32 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 140.2 | 179.2 | -65.6 | 176.6 | 0 | 0 | 0 | 112.3 | I139 H159 R160 A166 L168 P292 | I139-L162 HydrophobicContact CB-CD2 4.41Å; I139-L162 HydrophobicContact CD1-CD2 3.79Å; I139-L162 HydrophobicContact CD1-CG 4.43Å; I139-L162 HydrophobicContact CG1-CD2 3.89Å; H159-L162 VanDerWaalsContact O-CB 3.29Å; H159-L162 WeakPolarHBondContact O-CB 3.45Å; H159-L162 VanDerWaalsContact O-CG 3.27Å; H159-L162 WeakPolarHBondContact O-CG 3.17Å; H159-L162 PolarHBondContact O-N 3.42Å; R160-L162 VanDerWaalsContact C-N 3.32Å; L162-A166 HydrophobicContact CB-CB 3.98Å; L162-A166 HydrophobicContact CD2-CB 3.77Å; L162-A166 HydrophobicContact CG-CB 4.44Å; L162-L168 HydrophobicContact CD1-CB 3.87Å; L162-L168 HydrophobicContact CD2-CB 4.14Å; L162-L168 HydrophobicContact CG-CB 4.47Å; L162-P292 HydrophobicContact CB-CB 3.88Å; L162-P292 HydrophobicContact CD1-CB 4.33Å |
| 163 | E | 97.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 30.2 Ų | 30.2 | 35% | 0.35 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 164.9 | 163.1 | -84.9 | -60.6 | 166 | 0 | 0 | 112 | K135 W136 Q165 A166 P292 | K135-E163 HydrophobicContact CB-CG 3.67Å; K135-E163 WeakPolarHBondContact CB-OE1 3.38Å; W136-E163 PolarHBondContact O-N 3.16Å; E163-Q165 PolarHBondContact O-N 2.94Å; E163-A166 HydrophobicContact CB-CB 4.05Å; E163-A166 VanDerWaalsContact O-CB 3.23Å; E163-A166 WeakPolarHBondContact O-CB 3.35Å; E163-A166 PolarHBondContact O-N 3.42Å; E163-P292 VanDerWaalsContact O-CB 3.27Å; E163-P292 WeakPolarHBondContact O-CB 3.45Å |
| 164 | A | 94.4 | Very high | 97.8 | Very high | 86 Ų | 86 | 29.2 Ų | 29.2 | 71% | 0.711 | 14% | 0.141 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -58.7 | -20.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | P292 | A164-P292 WeakPolarHBondContact O-CG 3.16Å |
| 165 | Q | 95.6 | Very high | 97.8 | Very high | 84 Ų | 84 | 29.9 Ų | 29.9 | 39% | 0.393 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 9.9 | 177.1 | -66.5 | -175.2 | -35 | 0 | 0 | 112.7 | S46 E163 | S46-Q165 PolarHBondContact O-OE1 3.45Å; E163-Q165 PolarHBondContact O-N 2.94Å |
| 166 | A | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 171.9 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | W136 D137 L162 E163 P292 | W136-A166 WeakPolarHBondContact O-CB 3.36Å; D137-A166 WeakPolarHBondContact O-CA 3.32Å; D137-A166 VanDerWaalsContact O-CB 3.23Å; D137-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 HydrophobicContact CB-CB 3.98Å; L162-A166 HydrophobicContact CD2-CB 3.77Å; L162-A166 HydrophobicContact CG-CB 4.44Å; E163-A166 HydrophobicContact CB-CB 4.05Å; E163-A166 VanDerWaalsContact O-CB 3.23Å; E163-A166 WeakPolarHBondContact O-CB 3.35Å; E163-A166 PolarHBondContact O-N 3.42Å; A166-P292 WeakPolarHBondContact O-CD 3.39Å |
| 167 | K | 98.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 27.2 Ų | 27.2 | 10% | 0.096 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.5 | 171.3 | -54.8 | -68.2 | 173.7 | -174.3 | 0 | 109.6 | V43 I47 D137 F138 I139 V289 E291 | V43-K167 HydrophobicContact CG1-CB 4.4Å; V43-K167 HydrophobicContact CG1-CG 4.09Å; I47-K167 HydrophobicContact CG2-CG 4.04Å; D137-K167 PolarHBondContact O-N 2.78Å; F138-K167 WeakPolarHBondContact CA-O 3.3Å; F138-K167 HydrophobicContact CD2-CB 4.06Å; F138-K167 WeakPolarHBondContact CD2-O 3.24Å; F138-K167 HydrophobicContact CE2-CB 4.34Å; I139-K167 PolarHBondContact N-O 3.21Å; K167-V289 HydrophobicContact CB-CG1 4.33Å; K167-V289 HydrophobicContact CD-CG1 4.02Å; K167-V289 HydrophobicContact CG-CG1 4.43Å; K167-E291 IonicContact NZ-OE1 2.67Å; K167-E291 PolarHBondContact NZ-OE1 3.48Å; K167-E291 IonicContact NZ-OE2 3.26Å; K167-E291 PolarHBondContact NZ-OE2 3.4Å |
| 168 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.2 | 161.2 | 168.3 | 64.1 | 0 | 0 | 0 | 108.2 | I139 M141 H159 L162 I170 I290 | I139-L168 HydrophobicContact CB-CD1 3.73Å; I139-L168 HydrophobicContact CG2-CD1 3.59Å; I139-L168 CarbonylContact O-C 3.51Å; I139-L168 WeakPolarHBondContact O-CA 3.36Å; M141-L168 HydrophobicContact CE-CD1 4.02Å; M141-L168 HydrophobicContact CG-CD1 4.35Å; M141-L168 HydrophobicContact SD-CD1 4.33Å; H159-L168 HydrophobicContact CB-CD2 4.44Å; L162-L168 HydrophobicContact CD1-CB 3.87Å; L162-L168 HydrophobicContact CD2-CB 4.14Å; L162-L168 HydrophobicContact CG-CB 4.47Å; L168-I170 HydrophobicContact CG-CG1 4.36Å; L168-I290 HydrophobicContact CB-CB 4.18Å; L168-I290 HydrophobicContact CD2-CD1 3.71Å; L168-I290 HydrophobicContact CG-CD1 4Å; L168-I290 PolarHBondContact N-O 2.97Å; L168-I290 VanDerWaalsContact N-O 3.07Å; L168-I290 PolarHBondContact O-N 3.4Å |
| 169 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.1 | 179.1 | -179.6 | 148 | 0 | 0 | 0 | 110.1 | F35 L40 F138 I139 H140 M141 I171 V287 I288 V289 | F35-L169 HydrophobicContact CE1-CD1 3.86Å; F35-L169 HydrophobicContact CZ-CD1 4.22Å; L40-L169 HydrophobicContact CD1-CD1 3.94Å; F138-L169 HydrophobicContact CE2-CB 3.71Å; F138-L169 HydrophobicContact CE2-CD1 4.37Å; F138-L169 HydrophobicContact CZ-CB 3.88Å; F138-L169 HydrophobicContact CZ-CD1 4.11Å; F138-L169 HydrophobicContact CZ-CG 4.49Å; I139-L169 PolarHBondContact O-N 2.68Å; H140-L169 CarbonylContact C-O 3.57Å; H140-L169 WeakPolarHBondContact CA-O 3.41Å; H140-L169 HydrophobicContact CB-CB 4.25Å; H140-L169 HydrophobicContact CB-CD2 4.12Å; M141-L169 PolarHBondContact N-O 2.96Å; L169-I171 HydrophobicContact CD2-CD1 3.94Å; L169-I171 HydrophobicContact CD2-CG1 3.54Å; L169-V287 HydrophobicContact CD1-CG1 3.75Å; L169-V287 HydrophobicContact CD2-CG1 4.24Å; L169-V287 HydrophobicContact CG-CG1 3.76Å; L169-I288 CarbonylContact C-O 3.43Å; L169-I288 WeakPolarHBondContact CA-O 3.33Å; L169-V289 HydrophobicContact CD1-CG2 4.38Å |
| 170 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.7 | 176.5 | -55.8 | 175.7 | 0 | 0 | 0 | 107.8 | M141 L145 I155 L168 L172 I204 V287 I288 I290 | M141-I170 HydrophobicContact CB-CG1 4.32Å; M141-I170 WeakPolarHBondContact O-CA 3.38Å; M141-I170 HydrophobicContact SD-CD1 4.47Å; M141-I170 HydrophobicContact SD-CG1 4.31Å; L145-I170 HydrophobicContact CD1-CD1 4.14Å; L145-I170 HydrophobicContact CD1-CG2 3.51Å; L145-I170 HydrophobicContact CG-CG2 4.43Å; I155-I170 HydrophobicContact CD1-CD1 4.05Å; I155-I170 HydrophobicContact CG1-CD1 4.13Å; L168-I170 HydrophobicContact CG-CG1 4.36Å; I170-L172 HydrophobicContact CG2-CD2 3.98Å; I170-I204 HydrophobicContact CD1-CG2 4.22Å; I170-V287 CarbonylContact O-C 3.53Å; I170-V287 WeakPolarHBondContact O-CA 3.49Å; I170-I288 HydrophobicContact CB-CB 4.42Å; I170-I288 PolarHBondContact N-O 3.15Å; I170-I288 PolarHBondContact O-N 2.91Å; I170-I290 HydrophobicContact CD1-CD1 3.64Å; I170-I290 HydrophobicContact CG1-CD1 4.29Å |
| 171 | I | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.7 | 170.6 | -48.7 | -169.1 | 0 | 0 | 0 | 108.7 | M32 M141 V142 Q143 L169 L285 S286 V287 | M32-I171 HydrophobicContact CE-CG2 4.12Å; M32-I171 HydrophobicContact CG-CD1 4.38Å; M32-I171 HydrophobicContact SD-CD1 4.48Å; M141-I171 PolarHBondContact O-N 3.32Å; V142-I171 HydrophobicContact CG1-CB 4.19Å; V142-I171 HydrophobicContact CG1-CD1 4.28Å; V142-I171 HydrophobicContact CG2-CB 4.49Å; V142-I171 HydrophobicContact CG2-CD1 4.05Å; V142-I171 HydrophobicContact CG2-CG1 4.11Å; Q143-I171 PolarHBondContact N-O 3.43Å; L169-I171 HydrophobicContact CD2-CD1 3.94Å; L169-I171 HydrophobicContact CD2-CG1 3.54Å; I171-L285 HydrophobicContact CG2-CB 4.45Å; I171-L285 HydrophobicContact CG2-CD1 4.23Å; I171-S286 WeakPolarHBondContact CA-O 3.49Å; I171-V287 HydrophobicContact CD1-CG2 3.97Å; I171-V287 HydrophobicContact CG1-CG1 4.4Å; I171-V287 HydrophobicContact CG1-CG2 3.94Å; I171-V287 HydrophobicContact CG2-CG2 4.44Å |
| 172 | L | 97.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 174.3 | 175.6 | 71.1 | 168.3 | 0 | 0 | 0 | 111.2 | Y146 I170 T200 I204 L285 S286 I288 | Y146-L172 WeakPolarHBondContact OH-CA 3.27Å; Y146-L172 WeakPolarHBondContact OH-CB 3.28Å; I170-L172 HydrophobicContact CG2-CD2 3.98Å; L172-T200 WeakPolarHBondContact CD1-O 3.43Å; L172-I204 HydrophobicContact CD1-CB 4.48Å; L172-I204 HydrophobicContact CD1-CD1 4.39Å; L172-I204 HydrophobicContact CD1-CG1 3.43Å; L172-I204 VanDerWaalsContact CD1-CG1 3.43Å; L172-I204 HydrophobicContact CD2-CG1 4.32Å; L172-L285 CarbonylContact O-C 3.51Å; L172-L285 WeakPolarHBondContact O-CA 3.37Å; L172-S286 PolarHBondContact N-O 3.34Å; L172-S286 PolarHBondContact O-N 3.5Å; L172-I288 HydrophobicContact CD2-CD1 3.86Å; L172-I288 HydrophobicContact CD2-CG1 4.45Å |
| 173 | V | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 4% | 0.036 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 143.6 | 173.1 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | Y146 W179 W183 T200 S201 L285 | Y146-V173 HydrophobicContact CE1-CG2 4.27Å; Y146-V173 PolarHBondContact OH-N 3.35Å; V173-W179 HydrophobicContact CB-CB 4.36Å; V173-W179 HydrophobicContact CB-CG 4.2Å; V173-W179 HydrophobicContact CG1-CG 3.99Å; V173-W179 HydrophobicContact CG2-CB 4.11Å; V173-W179 HydrophobicContact CG2-CG 4.33Å; V173-W183 HydrophobicContact CG2-CH2 3.51Å; V173-W183 HydrophobicContact CG2-CZ3 3.53Å; V173-T200 HydrophobicContact CG2-CG2 4.02Å; V173-T200 WeakPolarHBondContact O-CA 3.48Å; V173-S201 PolarHBondContact O-N 2.91Å; V173-L285 HydrophobicContact CG1-CD2 4.01Å |
| 174 | S | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | trans | -71.8 | 145.9 | -176.9 | 175.6 | 0 | 0 | 0 | 0 | 112 | A176 S177 S201 E219 N284 S286 | S174-A176 PolarHBondContact O-N 3.5Å; S174-A176 VanDerWaalsContact O-N 3.16Å; S174-A176 PolarHBondContact OG-N 3.14Å; S174-S177 WeakPolarHBondContact O-CB 3.19Å; S174-S177 PolarHBondContact O-N 3.46Å; S174-S177 PolarHBondContact O-OG 3.42Å; S174-S201 WeakPolarHBondContact CA-OG 3.08Å; S174-E219 VanDerWaalsContact CB-OE2 3.23Å; S174-E219 WeakPolarHBondContact CB-OE2 3.18Å; S174-E219 VanDerWaalsContact OG-CD 3.3Å; S174-E219 PolarHBondContact OG-OE1 3.24Å; S174-E219 PolarHBondContact OG-OE2 3.16Å; S174-N284 VanDerWaalsContact CB-O 3.31Å; S174-N284 WeakPolarHBondContact CB-O 3.3Å; S174-N284 PolarHBondContact N-O 2.86Å; S174-S286 VanDerWaalsContact CA-OG 3.32Å; S174-S286 WeakPolarHBondContact CA-OG 3.48Å; S174-S286 WeakPolarHBondContact CB-OG 3.26Å; S174-S286 PolarHBondContact OG-OG 2.94Å | ||
| 175 | G | 97.4 | Very high | 97.5 | Very high | 24 Ų | 24 | 26.4 Ų | 26.4 | 25% | 0.247 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -8.8 | 167 | 0 | 0 | 0 | 0 | 0 | 113.8 | E180 T200 S201 | G175-E180 WeakPolarHBondContact O-CG 3.34Å; G175-T200 WeakPolarHBondContact CA-OG1 2.83Å; G175-S201 PolarHBondContact N-OG 2.98Å |
| 176 | A | 96.2 | Very high | 97.5 | Very high | 68 Ų | 68 | 22.9 Ų | 22.9 | 56% | 0.562 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 13.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | S174 N282 | S174-A176 PolarHBondContact O-N 3.5Å; S174-A176 VanDerWaalsContact O-N 3.16Å; S174-A176 PolarHBondContact OG-N 3.14Å; A176-N282 PolarHBondContact O-ND2 3.17Å |
| 177 | S | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -83.8 | 167 | 177.9 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | S174 W179 E180 N284 | S174-S177 WeakPolarHBondContact O-CB 3.19Å; S174-S177 PolarHBondContact O-N 3.46Å; S174-S177 PolarHBondContact O-OG 3.42Å; S177-W179 PolarHBondContact O-N 2.93Å; S177-W179 WeakPolarHBondContact OG-CB 3.21Å; S177-W179 PolarHBondContact OG-N 3.02Å; S177-E180 PolarHBondContact O-N 3.2Å; S177-N284 WeakPolarHBondContact CB-O 3.34Å |
| 178 | G | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.1 | -24 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T181 L182 N282 | G178-T181 PolarHBondContact O-N 3.09Å; G178-L182 WeakPolarHBondContact O-CB 3.47Å; G178-L182 PolarHBondContact O-N 3.04Å; G178-N282 PolarHBondContact N-O 2.58Å |
| 179 | W | 97.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 2% | 0.023 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 176.1 | -63.1 | 107.8 | 0 | 0 | 0 | 111.6 | V173 S177 T181 L182 W183 M224 F243 L244 F281 N283 | V173-W179 HydrophobicContact CB-CB 4.36Å; V173-W179 HydrophobicContact CB-CG 4.2Å; V173-W179 HydrophobicContact CG1-CG 3.99Å; V173-W179 HydrophobicContact CG2-CB 4.11Å; V173-W179 HydrophobicContact CG2-CG 4.33Å; S177-W179 PolarHBondContact O-N 2.93Å; S177-W179 WeakPolarHBondContact OG-CB 3.21Å; S177-W179 PolarHBondContact OG-N 3.02Å; W179-T181 VanDerWaalsContact C-N 3.31Å; W179-T181 PolarHBondContact O-N 2.92Å; W179-L182 PolarHBondContact O-N 2.85Å; W179-W183 HydrophobicContact CB-CD2 4.15Å; W179-W183 HydrophobicContact CB-CE3 4.11Å; W179-W183 HydrophobicContact CB-CH2 3.98Å; W179-W183 HydrophobicContact CB-CZ2 3.99Å; W179-W183 HydrophobicContact CB-CZ3 4.02Å; W179-W183 AromaticContact CD2-CZ2 3.97Å; W179-W183 HydrophobicContact CD2-CZ2 3.97Å; W179-W183 AromaticContact CE3-CE2 3.66Å; W179-W183 HydrophobicContact CE3-CH2 4.46Å; W179-W183 AromaticContact CE3-CZ2 3.52Å; W179-W183 HydrophobicContact CE3-CZ2 3.52Å; W179-W183 AromaticContact CE3-NE1 3.62Å; W179-W183 HydrophobicContact CG-CH2 4.37Å; W179-W183 HydrophobicContact CG-CZ2 4.22Å; W179-W183 HydrophobicContact CZ3-CZ2 4.22Å; W179-W183 VanDerWaalsContact O-CB 3.3Å; W179-W183 WeakPolarHBondContact O-CB 3.37Å; W179-W183 PolarHBondContact O-N 3.42Å; W179-M224 HydrophobicContact CZ2-SD 4.49Å; W179-F243 AromaticContact CH2-CD1 3.77Å; W179-F243 HydrophobicContact CH2-CD1 3.77Å; W179-F243 AromaticContact CH2-CE1 3.76Å; W179-F243 HydrophobicContact CH2-CE1 3.76Å; W179-F243 HydrophobicContact CZ2-CD1 4.29Å; W179-F243 AromaticContact CZ2-CE1 3.95Å; W179-F243 HydrophobicContact CZ2-CE1 3.95Å; W179-L244 HydrophobicContact CH2-CD2 3.89Å; W179-L244 HydrophobicContact CZ2-CD2 4.39Å; W179-L244 HydrophobicContact CZ3-CD2 4.1Å; W179-F281 AromaticContact CD1-CE1 3.83Å; W179-F281 AromaticContact CD2-CE1 3.69Å; W179-F281 HydrophobicContact CD2-CE1 3.69Å; W179-F281 HydrophobicContact CD2-CZ 4.03Å; W179-F281 AromaticContact CE2-CE1 3.57Å; W179-F281 HydrophobicContact CE3-CE1 4.3Å; W179-F281 HydrophobicContact CE3-CZ 4.32Å; W179-F281 AromaticContact CG-CE1 3.89Å; W179-F281 HydrophobicContact CG-CE1 3.89Å; W179-F281 HydrophobicContact CG-CZ 4.18Å; W179-F281 HydrophobicContact CZ2-CE1 4.09Å; W179-F281 AromaticContact NE1-CE1 3.65Å; W179-N283 PolarHBondContact NE1-OD1 3.34Å |
| 180 | E | 97 | Very high | 96.3 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.1 | -48.2 | 176.9 | 179 | 72.1 | 167.4 | 0 | 0 | 111.3 | G175 S177 K184 T200 | G175-E180 WeakPolarHBondContact O-CG 3.34Å; S177-E180 PolarHBondContact O-N 3.2Å; E180-K184 HydrophobicContact CG-CD 4.09Å; E180-K184 VanDerWaalsContact O-CB 3.26Å; E180-K184 WeakPolarHBondContact O-CB 3.35Å; E180-K184 WeakPolarHBondContact O-CG 3.47Å; E180-K184 PolarHBondContact O-N 3.33Å; E180-K184 WeakPolarHBondContact OE1-CE 3.4Å; E180-K184 IonicContact OE1-NZ 2.58Å; E180-K184 PolarHBondContact OE1-NZ 3.31Å; E180-T200 HydrophobicContact CB-CG2 4.12Å; E180-T200 WeakPolarHBondContact OE2-CG2 3.1Å; E180-T200 PolarHBondContact OE2-OG1 3.01Å |
| 181 | T | 96.6 | Very high | 95.8 | Very high | 40 Ų | 40 | 34.2 Ų | 34.2 | 25% | 0.245 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -49.4 | 178.9 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | G178 W179 K185 E270 | G178-T181 PolarHBondContact O-N 3.09Å; W179-T181 VanDerWaalsContact C-N 3.31Å; W179-T181 PolarHBondContact O-N 2.92Å; T181-K185 WeakPolarHBondContact O-CB 3.39Å; T181-K185 PolarHBondContact O-N 2.61Å; T181-E270 HydrophobicContact CG2-CB 3.87Å; T181-E270 PolarHBondContact OG1-O 3.36Å; T181-E270 VanDerWaalsContact OG1-O 3.12Å |
| 182 | L | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | -178.4 | -176.4 | 67.9 | 0 | 0 | 0 | 111.2 | G178 W179 K185 Y186 L244 I262 L266 | G178-L182 WeakPolarHBondContact O-CB 3.47Å; G178-L182 PolarHBondContact O-N 3.04Å; W179-L182 PolarHBondContact O-N 2.85Å; L182-K185 PolarHBondContact O-N 3.04Å; L182-Y186 HydrophobicContact CD1-CD2 3.9Å; L182-Y186 PolarHBondContact O-N 3.15Å; L182-L244 HydrophobicContact CD2-CB 4.32Å; L182-L244 WeakPolarHBondContact CD2-O 3.24Å; L182-I262 HydrophobicContact CD1-CG2 4.27Å; L182-L266 HydrophobicContact CD1-CD2 4.34Å; L182-L266 HydrophobicContact CD2-CD2 4.44Å |
| 183 | W | 95.9 | Very high | 93.8 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 9% | 0.087 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.3 | -42.5 | -177.1 | -64 | -21.1 | 0 | 0 | 0 | 112.8 | Y146 V173 W179 K185 G187 Y198 I199 T200 | Y146-W183 HydrophobicContact CE1-CH2 4.13Å; V173-W183 HydrophobicContact CG2-CH2 3.51Å; V173-W183 HydrophobicContact CG2-CZ3 3.53Å; W179-W183 HydrophobicContact CB-CD2 4.15Å; W179-W183 HydrophobicContact CB-CE3 4.11Å; W179-W183 HydrophobicContact CB-CH2 3.98Å; W179-W183 HydrophobicContact CB-CZ2 3.99Å; W179-W183 HydrophobicContact CB-CZ3 4.02Å; W179-W183 AromaticContact CD2-CZ2 3.97Å; W179-W183 HydrophobicContact CD2-CZ2 3.97Å; W179-W183 AromaticContact CE3-CE2 3.66Å; W179-W183 HydrophobicContact CE3-CH2 4.46Å; W179-W183 AromaticContact CE3-CZ2 3.52Å; W179-W183 HydrophobicContact CE3-CZ2 3.52Å; W179-W183 AromaticContact CE3-NE1 3.62Å; W179-W183 HydrophobicContact CG-CH2 4.37Å; W179-W183 HydrophobicContact CG-CZ2 4.22Å; W179-W183 HydrophobicContact CZ3-CZ2 4.22Å; W179-W183 VanDerWaalsContact O-CB 3.3Å; W179-W183 WeakPolarHBondContact O-CB 3.37Å; W179-W183 PolarHBondContact O-N 3.42Å; W183-K185 PolarHBondContact O-N 2.78Å; W183-G187 VanDerWaalsContact O-CA 3.24Å; W183-G187 WeakPolarHBondContact O-CA 3.46Å; W183-G187 PolarHBondContact O-N 3.45Å; W183-Y198 HydrophobicContact CB-CD2 3.78Å; W183-Y198 HydrophobicContact CB-CG 3.87Å; W183-Y198 AromaticContact CD1-CD1 3.7Å; W183-Y198 AromaticContact CD1-CD2 3.78Å; W183-Y198 AromaticContact CD1-CE1 3.81Å; W183-Y198 AromaticContact CD1-CE2 3.89Å; W183-Y198 AromaticContact CD1-CG 3.69Å; W183-Y198 AromaticContact CD1-CZ 3.91Å; W183-Y198 AromaticContact CD2-CD1 3.7Å; W183-Y198 HydrophobicContact CD2-CD1 3.7Å; W183-Y198 HydrophobicContact CD2-CD2 4.37Å; W183-Y198 HydrophobicContact CD2-CE1 4.49Å; W183-Y198 AromaticContact CD2-CG 3.63Å; W183-Y198 HydrophobicContact CD2-CG 3.63Å; W183-Y198 AromaticContact CE2-CD1 3.48Å; W183-Y198 VanDerWaalsContact CE2-CD1 3.48Å; W183-Y198 AromaticContact CE2-CE1 3.98Å; W183-Y198 AromaticContact CE2-CG 3.94Å; W183-Y198 HydrophobicContact CE3-CD1 4.38Å; W183-Y198 HydrophobicContact CE3-CG 4.21Å; W183-Y198 AromaticContact CG-CD1 3.82Å; W183-Y198 HydrophobicContact CG-CD1 3.82Å; W183-Y198 AromaticContact CG-CD2 3.71Å; W183-Y198 HydrophobicContact CG-CD2 3.71Å; W183-Y198 HydrophobicContact CG-CE1 4.38Å; W183-Y198 HydrophobicContact CG-CE2 4.28Å; W183-Y198 AromaticContact CG-CG 3.46Å; W183-Y198 HydrophobicContact CG-CG 3.46Å; W183-Y198 VanDerWaalsContact CG-CG 3.46Å; W183-Y198 AromaticContact CZ2-CD1 4Å; W183-Y198 HydrophobicContact CZ2-CD1 4Å; W183-Y198 AromaticContact NE1-CD1 3.49Å; W183-Y198 AromaticContact NE1-CE1 3.55Å; W183-Y198 AromaticContact NE1-CG 3.97Å; W183-I199 VanDerWaalsContact CZ3-O 3.32Å; W183-I199 WeakPolarHBondContact CZ3-O 3.42Å; W183-T200 HydrophobicContact CE3-CG2 3.97Å; W183-T200 HydrophobicContact CZ3-CG2 3.81Å |
| 184 | K | 95.1 | Very high | 92.7 | Very high | 161 Ų | 161 | 44.9 Ų | 44.9 | 70% | 0.7 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.8 | -37.6 | 175.4 | -82.7 | -179.6 | 163 | 164.6 | 0 | 112.4 | E180 | E180-K184 HydrophobicContact CG-CD 4.09Å; E180-K184 VanDerWaalsContact O-CB 3.26Å; E180-K184 WeakPolarHBondContact O-CB 3.35Å; E180-K184 WeakPolarHBondContact O-CG 3.47Å; E180-K184 PolarHBondContact O-N 3.33Å; E180-K184 WeakPolarHBondContact OE1-CE 3.4Å; E180-K184 IonicContact OE1-NZ 2.58Å; E180-K184 PolarHBondContact OE1-NZ 3.31Å |
| 185 | K | 96.4 | Very high | 91.7 | Very high | 91 Ų | 91 | 49.5 Ų | 49.5 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -85.3 | -43.7 | -174.9 | -169.9 | 168.9 | -176.6 | 174.8 | 0 | 113.3 | T181 L182 W183 E265 | T181-K185 WeakPolarHBondContact O-CB 3.39Å; T181-K185 PolarHBondContact O-N 2.61Å; L182-K185 PolarHBondContact O-N 3.04Å; W183-K185 PolarHBondContact O-N 2.78Å; K185-E265 HydrophobicContact CD-CG 4.42Å; K185-E265 WeakPolarHBondContact CD-OE1 3.34Å; K185-E265 IonicContact NZ-OE1 2.88Å; K185-E265 PolarHBondContact NZ-OE1 2.96Å; K185-E265 IonicContact NZ-OE2 2.68Å; K185-E265 PolarHBondContact NZ-OE2 3.36Å |
| 186 | Y | 95.8 | Very high | 91.1 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -115.2 | -6.2 | -170.5 | -59.7 | -75.2 | 0 | 0 | 0 | 114 | L182 S188 H189 L190 L258 Q261 I262 E265 | L182-Y186 HydrophobicContact CD1-CD2 3.9Å; L182-Y186 PolarHBondContact O-N 3.15Å; Y186-S188 VanDerWaalsContact C-N 3.27Å; Y186-S188 PolarHBondContact O-N 3.48Å; Y186-H189 WeakPolarHBondContact O-CA 3.39Å; Y186-H189 WeakPolarHBondContact O-CB 3.39Å; Y186-H189 PolarHBondContact O-N 3.09Å; Y186-L190 PolarHBondContact O-N 2.68Å; Y186-L258 HydrophobicContact CD1-CD1 3.93Å; Y186-Q261 HydrophobicContact CE1-CB 3.85Å; Y186-Q261 PolarHBondContact OH-O 2.65Å; Y186-Q261 VanDerWaalsContact OH-O 3.12Å; Y186-I262 HydrophobicContact CD1-CD1 4.3Å; Y186-I262 HydrophobicContact CD1-CG1 3.75Å; Y186-I262 HydrophobicContact CD2-CG1 3.91Å; Y186-I262 HydrophobicContact CE1-CG1 4.06Å; Y186-I262 HydrophobicContact CE2-CG1 4.16Å; Y186-I262 HydrophobicContact CG-CD1 4.12Å; Y186-I262 HydrophobicContact CG-CG1 3.67Å; Y186-E265 HydrophobicContact CE2-CB 3.66Å; Y186-E265 HydrophobicContact CE2-CG 3.76Å; Y186-E265 PolarHBondContact OH-OE2 3.05Å |
| 187 | G | 92.5 | Very high | 90.7 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -58.9 | -36.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W183 H189 L190 | W183-G187 VanDerWaalsContact O-CA 3.24Å; W183-G187 WeakPolarHBondContact O-CA 3.46Å; W183-G187 PolarHBondContact O-N 3.45Å; G187-H189 PolarHBondContact O-N 3.4Å; G187-L190 PolarHBondContact O-N 3.46Å |
| 188 | S | 92.8 | Very high | 90.4 | Very high | 107 Ų | 107 | 49.7 Ų | 49.7 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -69.6 | -14.5 | 174.9 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | Y186 | Y186-S188 VanDerWaalsContact C-N 3.27Å; Y186-S188 PolarHBondContact O-N 3.48Å |
| 189 | H | 93 | Very high | 90.3 | Very high | 102 Ų | 102 | 50.4 Ų | 50.4 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -98.1 | -8.4 | 178.1 | -56.2 | 90.4 | 0 | 0 | 0 | 112.5 | M5 Y186 G187 L258 | M5-H189 WeakPolarHBondContact CE-O 3.45Å; Y186-H189 WeakPolarHBondContact O-CA 3.39Å; Y186-H189 WeakPolarHBondContact O-CB 3.39Å; Y186-H189 PolarHBondContact O-N 3.09Å; G187-H189 PolarHBondContact O-N 3.4Å; H189-L258 HydrophobicContact CB-CD1 3.85Å; H189-L258 HydrophobicContact CB-CD2 4.15Å |
| 190 | L | 92.1 | Very high | 90.3 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -97.6 | 153.3 | 179.2 | -66.2 | 172.7 | 0 | 0 | 0 | 110 | Y186 G187 L192 T245 F250 I262 | Y186-L190 PolarHBondContact O-N 2.68Å; G187-L190 PolarHBondContact O-N 3.46Å; L190-L192 PolarHBondContact O-N 3.15Å; L190-T245 HydrophobicContact CD2-CG2 4.4Å; L190-F250 HydrophobicContact CD2-CD2 4.42Å; L190-F250 HydrophobicContact CD2-CE2 4.06Å; L190-I262 HydrophobicContact CD2-CD1 4.11Å |
| 191 | P | 87.8 | Confident | 90.4 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | trans | -76.3 | 56.2 | -177.7 | 36.8 | -39.8 | 0 | 0 | 0 | 111.6 | M5 K6 S7 T247 | M5-P191 HydrophobicContact CB-CB 4.18Å; M5-P191 HydrophobicContact CB-CG 3.89Å; K6-P191 VanDerWaalsContact C-CG 3.46Å; S7-P191 VanDerWaalsContact CB-O 3.27Å; S7-P191 WeakPolarHBondContact CB-O 3.35Å; P191-T247 WeakPolarHBondContact CD-OG1 3.31Å; P191-T247 HydrophobicContact CG-CG2 3.97Å; P191-T247 WeakPolarHBondContact CG-OG1 3.49Å | ||
| 192 | L | 77.9 | Confident | 90.4 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 38% | 0.377 | 26% | 0.258 | S | S | . | . | trans | -59.7 | 138.3 | 172.1 | -152.3 | 94.3 | 0 | 0 | 0 | 109.2 | L190 C196 Y198 | L190-L192 PolarHBondContact O-N 3.15Å; L192-C196 WeakPolarHBondContact CD2-O 3.43Å; L192-C196 VanDerWaalsContact CG-O 3.26Å; L192-C196 WeakPolarHBondContact CG-O 3.38Å; L192-Y198 HydrophobicContact CD1-CD1 3.69Å; L192-Y198 HydrophobicContact CD1-CD2 3.57Å; L192-Y198 HydrophobicContact CD1-CE1 3.38Å; L192-Y198 HydrophobicContact CD1-CE2 3.25Å; L192-Y198 HydrophobicContact CD1-CG 3.77Å | ||
| 193 | N | 75.1 | Confident | 90.5 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 21% | 0.214 | 28% | 0.275 | C | S | . | . | trans | -126.3 | 175.1 | 174.8 | 64.7 | 16.2 | 0 | 0 | 0 | 110 | S7 T10 L195 C196 | S7-N193 VanDerWaalsContact CB-ND2 3.28Å; S7-N193 WeakPolarHBondContact CB-ND2 3.32Å; S7-N193 PolarHBondContact OG-ND2 2.99Å; T10-N193 WeakPolarHBondContact CG2-ND2 3.24Å; N193-L195 PolarHBondContact O-N 2.88Å; N193-L195 WeakPolarHBondContact OD1-CA 3.47Å; N193-L195 VanDerWaalsContact OD1-CB 3.22Å; N193-L195 WeakPolarHBondContact OD1-CB 3.38Å; N193-L195 PolarHBondContact OD1-N 2.65Å; N193-C196 PolarHBondContact O-N 3.21Å; N193-C196 PolarHBondContact OD1-N 3.17Å | ||
| 194 | D | 76.4 | Confident | 90.6 | Very high | 123 Ų | 123 | 51.4 Ų | 51.4 | 66% | 0.658 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 5.2 | 179.5 | -64.7 | -6.7 | 0 | 0 | 0 | 114.2 | ||
| 195 | L | 77.7 | Confident | 90.8 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -15.5 | -179.4 | -53.1 | 173.8 | 0 | 0 | 0 | 113.1 | I9 N193 | I9-L195 HydrophobicContact CG2-CB 3.82Å; I9-L195 HydrophobicContact CG2-CD1 3.93Å; N193-L195 PolarHBondContact O-N 2.88Å; N193-L195 WeakPolarHBondContact OD1-CA 3.47Å; N193-L195 VanDerWaalsContact OD1-CB 3.22Å; N193-L195 WeakPolarHBondContact OD1-CB 3.38Å; N193-L195 PolarHBondContact OD1-N 2.65Å |
| 196 | C | 83.6 | Confident | 90.8 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | trans | -145.3 | 129.3 | -178.8 | -171.6 | 0 | 0 | 0 | 0 | 111 | Y146 L192 N193 | Y146-C196 CarbonylContact O-C 3.54Å; Y146-C196 VanDerWaalsContact O-CA 3.29Å; Y146-C196 WeakPolarHBondContact O-CA 3.28Å; L192-C196 WeakPolarHBondContact CD2-O 3.43Å; L192-C196 VanDerWaalsContact CG-O 3.26Å; L192-C196 WeakPolarHBondContact CG-O 3.38Å; N193-C196 PolarHBondContact O-N 3.21Å; N193-C196 PolarHBondContact OD1-N 3.17Å | ||
| 197 | F | 88.6 | Confident | 91 | Very high | 53 Ų | 53 | 46 Ų | 46 | 23% | 0.232 | 26% | 0.26 | C | S | . | . | trans | -116.4 | 135.4 | -179.4 | -60.9 | -84.8 | 0 | 0 | 0 | 111.1 | Y146 V148 I199 | Y146-F197 WeakPolarHBondContact O-CD2 3.37Å; Y146-F197 PolarHBondContact O-N 3.22Å; V148-F197 WeakPolarHBondContact O-CD2 3.39Å; V148-F197 WeakPolarHBondContact O-CE2 3.44Å; F197-I199 HydrophobicContact CB-CG2 4.14Å; F197-I199 PolarHBondContact O-N 3.04Å | ||
| 198 | Y | 92.6 | Very high | 91.2 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | trans | -79 | 99.3 | 170.6 | -62.9 | -26.3 | 0 | 0 | 0 | 109.3 | W183 L192 E246 | W183-Y198 HydrophobicContact CB-CD2 3.78Å; W183-Y198 HydrophobicContact CB-CG 3.87Å; W183-Y198 AromaticContact CD1-CD1 3.7Å; W183-Y198 AromaticContact CD1-CD2 3.78Å; W183-Y198 AromaticContact CD1-CE1 3.81Å; W183-Y198 AromaticContact CD1-CE2 3.89Å; W183-Y198 AromaticContact CD1-CG 3.69Å; W183-Y198 AromaticContact CD1-CZ 3.91Å; W183-Y198 AromaticContact CD2-CD1 3.7Å; W183-Y198 HydrophobicContact CD2-CD1 3.7Å; W183-Y198 HydrophobicContact CD2-CD2 4.37Å; W183-Y198 HydrophobicContact CD2-CE1 4.49Å; W183-Y198 AromaticContact CD2-CG 3.63Å; W183-Y198 HydrophobicContact CD2-CG 3.63Å; W183-Y198 AromaticContact CE2-CD1 3.48Å; W183-Y198 VanDerWaalsContact CE2-CD1 3.48Å; W183-Y198 AromaticContact CE2-CE1 3.98Å; W183-Y198 AromaticContact CE2-CG 3.94Å; W183-Y198 HydrophobicContact CE3-CD1 4.38Å; W183-Y198 HydrophobicContact CE3-CG 4.21Å; W183-Y198 AromaticContact CG-CD1 3.82Å; W183-Y198 HydrophobicContact CG-CD1 3.82Å; W183-Y198 AromaticContact CG-CD2 3.71Å; W183-Y198 HydrophobicContact CG-CD2 3.71Å; W183-Y198 HydrophobicContact CG-CE1 4.38Å; W183-Y198 HydrophobicContact CG-CE2 4.28Å; W183-Y198 AromaticContact CG-CG 3.46Å; W183-Y198 HydrophobicContact CG-CG 3.46Å; W183-Y198 VanDerWaalsContact CG-CG 3.46Å; W183-Y198 AromaticContact CZ2-CD1 4Å; W183-Y198 HydrophobicContact CZ2-CD1 4Å; W183-Y198 AromaticContact NE1-CD1 3.49Å; W183-Y198 AromaticContact NE1-CE1 3.55Å; W183-Y198 AromaticContact NE1-CG 3.97Å; L192-Y198 HydrophobicContact CD1-CD1 3.69Å; L192-Y198 HydrophobicContact CD1-CD2 3.57Å; L192-Y198 HydrophobicContact CD1-CE1 3.38Å; L192-Y198 HydrophobicContact CD1-CE2 3.25Å; L192-Y198 HydrophobicContact CD1-CG 3.77Å; Y198-E246 HydrophobicContact CE1-CB 4.3Å; Y198-E246 HydrophobicContact CE1-CG 3.9Å | ||
| 199 | I | 95.2 | Very high | 91.5 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | trans | -130.3 | 143.1 | 178.6 | 61.2 | 172.8 | 0 | 0 | 0 | 109.9 | L145 Y146 I151 W183 F197 D203 I204 | L145-I199 HydrophobicContact CB-CD1 3.61Å; Y146-I199 HydrophobicContact CD1-CD1 4.33Å; Y146-I199 HydrophobicContact CD1-CG1 3.69Å; Y146-I199 HydrophobicContact CE1-CG1 3.98Å; Y146-I199 WeakPolarHBondContact CE1-O 3.41Å; I151-I199 HydrophobicContact CD1-CD1 3.51Å; I151-I199 HydrophobicContact CD1-CG1 4.44Å; I151-I199 HydrophobicContact CD1-CG2 3.66Å; I151-I199 HydrophobicContact CG1-CD1 4.28Å; W183-I199 VanDerWaalsContact CZ3-O 3.32Å; W183-I199 WeakPolarHBondContact CZ3-O 3.42Å; F197-I199 HydrophobicContact CB-CG2 4.14Å; F197-I199 PolarHBondContact O-N 3.04Å; I199-D203 WeakPolarHBondContact CA-OD2 3.36Å; I199-I204 HydrophobicContact CD1-CD1 4.28Å | ||
| 200 | T | 98.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -121.8 | 174.5 | 174.9 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | L172 V173 G175 E180 W183 A202 D203 I204 | L172-T200 WeakPolarHBondContact CD1-O 3.43Å; V173-T200 HydrophobicContact CG2-CG2 4.02Å; V173-T200 WeakPolarHBondContact O-CA 3.48Å; G175-T200 WeakPolarHBondContact CA-OG1 2.83Å; E180-T200 HydrophobicContact CB-CG2 4.12Å; E180-T200 WeakPolarHBondContact OE2-CG2 3.1Å; E180-T200 PolarHBondContact OE2-OG1 3.01Å; W183-T200 HydrophobicContact CE3-CG2 3.97Å; W183-T200 HydrophobicContact CZ3-CG2 3.81Å; T200-A202 PolarHBondContact O-N 3.46Å; T200-A202 PolarHBondContact OG1-N 3.34Å; T200-D203 PolarHBondContact N-OD2 2.98Å; T200-D203 WeakPolarHBondContact O-CB 3.4Å; T200-D203 PolarHBondContact O-N 3.26Å; T200-I204 PolarHBondContact O-N 3.14Å | ||
| 201 | S | 98.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.2 | -29.9 | 175.8 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | V173 S174 G175 D203 I204 E205 S286 | V173-S201 PolarHBondContact O-N 2.91Å; S174-S201 WeakPolarHBondContact CA-OG 3.08Å; G175-S201 PolarHBondContact N-OG 2.98Å; S201-D203 PolarHBondContact O-N 3.05Å; S201-I204 PolarHBondContact O-N 2.57Å; S201-E205 WeakPolarHBondContact O-CB 3.4Å; S201-E205 WeakPolarHBondContact O-CG 3.4Å; S201-E205 PolarHBondContact O-N 2.92Å; S201-S286 VanDerWaalsContact CB-CB 3.44Å; S201-S286 VanDerWaalsContact CB-OG 3.23Å; S201-S286 WeakPolarHBondContact CB-OG 3.43Å; S201-S286 PolarHBondContact OG-OG 2.99Å |
| 202 | A | 97.9 | Very high | 92.3 | Very high | 41 Ų | 41 | 49.5 Ų | 49.5 | 34% | 0.339 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T200 A206 | T200-A202 PolarHBondContact O-N 3.46Å; T200-A202 PolarHBondContact OG1-N 3.34Å; A202-A206 WeakPolarHBondContact O-CB 3.33Å; A202-A206 PolarHBondContact O-N 2.83Å |
| 203 | D | 98 | Very high | 93.3 | Very high | 67 Ų | 67 | 47.5 Ų | 47.5 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 176.2 | -59.9 | -58.6 | 0 | 0 | 0 | 111 | I199 T200 S201 A206 I207 | I199-D203 WeakPolarHBondContact CA-OD2 3.36Å; T200-D203 PolarHBondContact N-OD2 2.98Å; T200-D203 WeakPolarHBondContact O-CB 3.4Å; T200-D203 PolarHBondContact O-N 3.26Å; S201-D203 PolarHBondContact O-N 3.05Å; D203-A206 PolarHBondContact O-N 2.97Å; D203-I207 WeakPolarHBondContact O-CG1 3.46Å; D203-I207 PolarHBondContact O-N 3.11Å |
| 204 | I | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 178.1 | -57.4 | -54.2 | 0 | 0 | 0 | 110.9 | L145 I151 I155 I170 L172 I199 T200 S201 A206 I207 L208 I288 | L145-I204 HydrophobicContact CD1-CD1 3.99Å; I151-I204 HydrophobicContact CG2-CD1 3.6Å; I155-I204 HydrophobicContact CD1-CD1 4.06Å; I155-I204 HydrophobicContact CD1-CG2 4Å; I170-I204 HydrophobicContact CD1-CG2 4.22Å; L172-I204 HydrophobicContact CD1-CB 4.48Å; L172-I204 HydrophobicContact CD1-CD1 4.39Å; L172-I204 HydrophobicContact CD1-CG1 3.43Å; L172-I204 VanDerWaalsContact CD1-CG1 3.43Å; L172-I204 HydrophobicContact CD2-CG1 4.32Å; I199-I204 HydrophobicContact CD1-CD1 4.28Å; T200-I204 PolarHBondContact O-N 3.14Å; S201-I204 PolarHBondContact O-N 2.57Å; I204-A206 VanDerWaalsContact C-N 3.28Å; I204-A206 PolarHBondContact O-N 2.85Å; I204-I207 HydrophobicContact CD1-CD1 4.28Å; I204-I207 WeakPolarHBondContact O-CB 3.26Å; I204-I207 PolarHBondContact O-N 2.78Å; I204-I207 VanDerWaalsContact O-N 3.14Å; I204-L208 HydrophobicContact CG2-CD1 3.95Å; I204-L208 HydrophobicContact CG2-CG 4.21Å; I204-L208 VanDerWaalsContact O-CG 3.26Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 3.41Å; I204-I288 HydrophobicContact CB-CD1 3.67Å; I204-I288 HydrophobicContact CG2-CD1 3.49Å; I204-I288 VanDerWaalsContact CG2-CD1 3.49Å |
| 205 | E | 98.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.7 | -41.2 | 174.3 | -78.4 | -171.1 | 102.6 | 0 | 0 | 111.6 | S201 I207 L208 N209 H215 L217 I288 | S201-E205 WeakPolarHBondContact O-CB 3.4Å; S201-E205 WeakPolarHBondContact O-CG 3.4Å; S201-E205 PolarHBondContact O-N 2.92Å; E205-I207 VanDerWaalsContact C-N 3.35Å; E205-I207 PolarHBondContact O-N 3.22Å; E205-L208 PolarHBondContact O-N 2.98Å; E205-N209 VanDerWaalsContact O-CB 3.24Å; E205-N209 WeakPolarHBondContact O-CB 3.26Å; E205-N209 VanDerWaalsContact O-CG 3.23Å; E205-N209 PolarHBondContact O-N 3.18Å; E205-N209 PolarHBondContact O-ND2 2.81Å; E205-H215 IonicContact OE1-NE2 3.82Å; E205-L217 HydrophobicContact CG-CD1 4.42Å; E205-I288 HydrophobicContact CG-CD1 4.44Å |
| 206 | A | 98.2 | Very high | 96.4 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A202 D203 I204 S210 | A202-A206 WeakPolarHBondContact O-CB 3.33Å; A202-A206 PolarHBondContact O-N 2.83Å; D203-A206 PolarHBondContact O-N 2.97Å; I204-A206 VanDerWaalsContact C-N 3.28Å; I204-A206 PolarHBondContact O-N 2.85Å; A206-S210 VanDerWaalsContact O-CB 3.31Å; A206-S210 WeakPolarHBondContact O-CB 3.45Å; A206-S210 PolarHBondContact O-N 3.46Å; A206-S210 PolarHBondContact O-OG 3.48Å |
| 207 | I | 98 | Very high | 97.1 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 174.9 | -68.7 | 164.1 | 0 | 0 | 0 | 110.7 | I151 P152 D203 I204 E205 S210 A211 | I151-I207 HydrophobicContact CG2-CD1 4.02Å; P152-I207 HydrophobicContact CB-CG2 4.06Å; P152-I207 HydrophobicContact CG-CD1 3.92Å; P152-I207 HydrophobicContact CG-CG1 4.15Å; P152-I207 HydrophobicContact CG-CG2 4.25Å; D203-I207 WeakPolarHBondContact O-CG1 3.46Å; D203-I207 PolarHBondContact O-N 3.11Å; I204-I207 HydrophobicContact CD1-CD1 4.28Å; I204-I207 WeakPolarHBondContact O-CB 3.26Å; I204-I207 PolarHBondContact O-N 2.78Å; I204-I207 VanDerWaalsContact O-N 3.14Å; E205-I207 VanDerWaalsContact C-N 3.35Å; E205-I207 PolarHBondContact O-N 3.22Å; I207-S210 PolarHBondContact O-N 2.98Å; I207-A211 WeakPolarHBondContact O-CB 3.4Å; I207-A211 PolarHBondContact O-N 2.8Å; I207-A211 VanDerWaalsContact O-N 3.07Å |
| 208 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.2 | -44.1 | -178.2 | -65.2 | 175.2 | 0 | 0 | 0 | 112 | I155 I204 E205 S210 A211 G212 L213 H215 I288 I290 | I155-L208 HydrophobicContact CG2-CD2 3.76Å; I204-L208 HydrophobicContact CG2-CD1 3.95Å; I204-L208 HydrophobicContact CG2-CG 4.21Å; I204-L208 VanDerWaalsContact O-CG 3.26Å; I204-L208 WeakPolarHBondContact O-CG 3.27Å; I204-L208 PolarHBondContact O-N 3.41Å; E205-L208 PolarHBondContact O-N 2.98Å; L208-S210 VanDerWaalsContact C-N 3.34Å; L208-S210 PolarHBondContact O-N 2.76Å; L208-A211 CarbonylContact O-C 3.59Å; L208-A211 PolarHBondContact O-N 2.95Å; L208-A211 VanDerWaalsContact O-N 3.15Å; L208-G212 PolarHBondContact O-N 3.46Å; L208-L213 HydrophobicContact CB-CB 4.42Å; L208-L213 HydrophobicContact CD2-CB 4.17Å; L208-L213 HydrophobicContact CD2-CD1 3.75Å; L208-L213 PolarHBondContact O-N 2.59Å; L208-H215 HydrophobicContact CD1-CB 4.05Å; L208-I288 HydrophobicContact CD1-CG2 3.59Å; L208-I290 HydrophobicContact CD1-CD1 3.84Å; L208-I290 HydrophobicContact CD1-CG1 3.9Å; L208-I290 HydrophobicContact CD2-CD1 3.6Å; L208-I290 HydrophobicContact CD2-CG1 4.2Å; L208-I290 HydrophobicContact CG-CD1 4.38Å |
| 209 | N | 98 | Very high | 97.8 | Very high | 103 Ų | 103 | 53.5 Ų | 53.5 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.5 | -44.3 | 175.9 | -77.8 | -43 | 0 | 0 | 0 | 111.4 | E205 A211 G212 H215 | E205-N209 VanDerWaalsContact O-CB 3.24Å; E205-N209 WeakPolarHBondContact O-CB 3.26Å; E205-N209 VanDerWaalsContact O-CG 3.23Å; E205-N209 PolarHBondContact O-N 3.18Å; E205-N209 PolarHBondContact O-ND2 2.81Å; N209-A211 PolarHBondContact O-N 3.24Å; N209-G212 PolarHBondContact O-N 3.05Å; N209-H215 PolarHBondContact OD1-CE1 2.96Å; N209-H215 VanDerWaalsContact OD1-CE1 3.32Å |
| 210 | S | 97.4 | Very high | 98 | Very high | 111 Ų | 111 | 53.2 Ų | 53.2 | 78% | 0.776 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.1 | -29.6 | 177.1 | -60 | 0 | 0 | 0 | 0 | 112.6 | A206 I207 L208 | A206-S210 VanDerWaalsContact O-CB 3.31Å; A206-S210 WeakPolarHBondContact O-CB 3.45Å; A206-S210 PolarHBondContact O-N 3.46Å; A206-S210 PolarHBondContact O-OG 3.48Å; I207-S210 PolarHBondContact O-N 2.98Å; L208-S210 VanDerWaalsContact C-N 3.34Å; L208-S210 PolarHBondContact O-N 2.76Å |
| 211 | A | 96.3 | Very high | 97.9 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 45% | 0.446 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -4.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I207 L208 N209 L213 | I207-A211 WeakPolarHBondContact O-CB 3.4Å; I207-A211 PolarHBondContact O-N 2.8Å; I207-A211 VanDerWaalsContact O-N 3.07Å; L208-A211 CarbonylContact O-C 3.59Å; L208-A211 PolarHBondContact O-N 2.95Å; L208-A211 VanDerWaalsContact O-N 3.15Å; N209-A211 PolarHBondContact O-N 3.24Å; A211-L213 HydrophobicContact CB-CD1 4.15Å; A211-L213 HydrophobicContact CB-CG 3.89Å; A211-L213 PolarHBondContact O-N 2.8Å |
| 212 | G | 97.3 | Very high | 97.9 | Very high | 66 Ų | 66 | 58.2 Ų | 58.2 | 68% | 0.68 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 22.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | L208 N209 | L208-G212 PolarHBondContact O-N 3.46Å; N209-G212 PolarHBondContact O-N 3.05Å |
| 213 | L | 97.7 | Very high | 97.9 | Very high | 31 Ų | 31 | 59 Ų | 59 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | trans | -83 | 124.3 | -178.4 | -64.3 | -178.5 | 0 | 0 | 0 | 110.6 | L208 A211 H215 I290 | L208-L213 HydrophobicContact CB-CB 4.42Å; L208-L213 HydrophobicContact CD2-CB 4.17Å; L208-L213 HydrophobicContact CD2-CD1 3.75Å; L208-L213 PolarHBondContact O-N 2.59Å; A211-L213 HydrophobicContact CB-CD1 4.15Å; A211-L213 HydrophobicContact CB-CG 3.89Å; A211-L213 PolarHBondContact O-N 2.8Å; L213-H215 PolarHBondContact O-N 3.42Å; L213-H215 PolarHBondContact O-ND1 2.94Å; L213-I290 HydrophobicContact CB-CG2 4.3Å | ||
| 214 | K | 98.1 | Very high | 97.9 | Very high | 154 Ų | 154 | 55.9 Ų | 55.9 | 67% | 0.67 | 32% | 0.322 | S | S | * | . | trans | -70.4 | 126.2 | 176.7 | -178.9 | 178.4 | 172.5 | -167.9 | 0 | 109.7 | E291 | K214-E291 HydrophobicContact CB-CB 4.19Å; K214-E291 HydrophobicContact CB-CG 4.23Å; K214-E291 HydrophobicContact CD-CG 3.95Å; K214-E291 HydrophobicContact CG-CB 4.45Å; K214-E291 HydrophobicContact CG-CG 3.93Å; K214-E291 PolarHBondContact O-N 2.73Å | ||
| 215 | H | 98.5 | Very high | 97.9 | Very high | 42 Ų | 42 | 57 Ų | 57 | 19% | 0.194 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 164.9 | -179.4 | 60.7 | -80 | 0 | 0 | 0 | 112 | E205 L208 N209 L213 I288 V289 I290 | E205-H215 IonicContact OE1-NE2 3.82Å; L208-H215 HydrophobicContact CD1-CB 4.05Å; N209-H215 PolarHBondContact OD1-CE1 2.96Å; N209-H215 VanDerWaalsContact OD1-CE1 3.32Å; L213-H215 PolarHBondContact O-N 3.42Å; L213-H215 PolarHBondContact O-ND1 2.94Å; H215-I288 HydrophobicContact CB-CG2 4.03Å; H215-V289 CarbonylContact C-O 3.55Å; H215-V289 WeakPolarHBondContact CA-O 3.36Å; H215-V289 WeakPolarHBondContact CB-O 3.31Å; H215-I290 HydrophobicContact CB-CG1 4.14Å |
| 216 | Q | 98.4 | Very high | 98 | Very high | 103 Ų | 103 | 54.5 Ų | 54.5 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.8 | 172.2 | -178.7 | 171.7 | 1 | 0 | 0 | 109.4 | Y218 I288 V289 | Q216-Y218 HydrophobicContact CB-CE2 4.21Å; Q216-Y218 VanDerWaalsContact CD-CZ 3.41Å; Q216-Y218 HydrophobicContact CG-CD2 4.31Å; Q216-Y218 HydrophobicContact CG-CE2 3.67Å; Q216-Y218 PolarHBondContact NE2-OH 3.5Å; Q216-Y218 PolarHBondContact OE1-OH 3.04Å; Q216-Y218 VanDerWaalsContact OE1-OH 3.1Å; Q216-I288 WeakPolarHBondContact O-CA 3.44Å; Q216-V289 PolarHBondContact N-O 3.35Å; Q216-V289 PolarHBondContact O-N 3.12Å |
| 217 | L | 98.3 | Very high | 98 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 29% | 0.288 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 138.9 | 176.4 | -171.8 | 77.3 | 0 | 0 | 0 | 110.3 | E205 V287 I288 | E205-L217 HydrophobicContact CG-CD1 4.42Å; L217-V287 CarbonylContact C-O 3.51Å; L217-V287 WeakPolarHBondContact CA-O 3.49Å; L217-I288 HydrophobicContact CD1-CD1 4.22Å; L217-I288 HydrophobicContact CD1-CG1 3.5Å; L217-I288 VanDerWaalsContact CD1-CG1 3.5Å |
| 218 | Y | 98.3 | Very high | 98 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128 | 168.8 | -56.3 | -101.5 | 0 | 0 | 0 | 108.5 | F35 Q39 Q216 L220 S286 V287 V289 | F35-Y218 HydrophobicContact CD2-CG 4.44Å; F35-Y218 HydrophobicContact CE2-CD1 4.09Å; F35-Y218 AromaticContact CE2-CD2 3.9Å; F35-Y218 HydrophobicContact CE2-CD2 3.9Å; F35-Y218 HydrophobicContact CE2-CE1 4.5Å; F35-Y218 HydrophobicContact CE2-CE2 4.34Å; F35-Y218 AromaticContact CE2-CG 3.76Å; F35-Y218 HydrophobicContact CE2-CG 3.76Å; F35-Y218 HydrophobicContact CZ-CD2 4.5Å; Q39-Y218 HydrophobicContact CB-CE1 4.49Å; Q39-Y218 HydrophobicContact CG-CD1 4.48Å; Q216-Y218 HydrophobicContact CB-CE2 4.21Å; Q216-Y218 VanDerWaalsContact CD-CZ 3.41Å; Q216-Y218 HydrophobicContact CG-CD2 4.31Å; Q216-Y218 HydrophobicContact CG-CE2 3.67Å; Q216-Y218 PolarHBondContact NE2-OH 3.5Å; Q216-Y218 PolarHBondContact OE1-OH 3.04Å; Q216-Y218 VanDerWaalsContact OE1-OH 3.1Å; Y218-L220 VanDerWaalsContact O-CD1 3.29Å; Y218-L220 WeakPolarHBondContact O-CD1 3.22Å; Y218-S286 CarbonylContact O-C 3.54Å; Y218-S286 VanDerWaalsContact O-CA 3.24Å; Y218-S286 WeakPolarHBondContact O-CA 3.49Å; Y218-V287 HydrophobicContact CD2-CB 4.45Å; Y218-V287 PolarHBondContact N-O 3.31Å; Y218-V287 PolarHBondContact O-N 3.05Å; Y218-V289 HydrophobicContact CD2-CG2 4.28Å; Y218-V289 HydrophobicContact CE2-CB 4.37Å; Y218-V289 HydrophobicContact CE2-CG2 3.74Å |
| 219 | E | 97.9 | Very high | 98 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.9 | 173.5 | -73.3 | -61.9 | 128.8 | 0 | 0 | 110.6 | S174 S286 | S174-E219 VanDerWaalsContact CB-OE2 3.23Å; S174-E219 WeakPolarHBondContact CB-OE2 3.18Å; S174-E219 VanDerWaalsContact OG-CD 3.3Å; S174-E219 PolarHBondContact OG-OE1 3.24Å; S174-E219 PolarHBondContact OG-OE2 3.16Å; E219-S286 WeakPolarHBondContact OE1-CB 3.42Å; E219-S286 PolarHBondContact OE1-OG 3.12Å |
| 220 | L | 97.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 99.1 | -178.1 | -76.7 | 64.9 | 0 | 0 | 0 | 107.9 | C31 F35 Y218 S222 N284 L285 V287 | C31-L220 HydrophobicContact CB-CB 4.25Å; F35-L220 HydrophobicContact CB-CD2 3.78Å; F35-L220 HydrophobicContact CB-CG 4.2Å; F35-L220 HydrophobicContact CD2-CD1 4.2Å; F35-L220 HydrophobicContact CG-CD2 4.35Å; Y218-L220 VanDerWaalsContact O-CD1 3.29Å; Y218-L220 WeakPolarHBondContact O-CD1 3.22Å; L220-S222 PolarHBondContact O-N 2.79Å; L220-N284 WeakPolarHBondContact O-CA 3.5Å; L220-L285 HydrophobicContact CB-CB 4.09Å; L220-L285 PolarHBondContact N-O 2.92Å; L220-L285 PolarHBondContact O-N 3.18Å; L220-V287 HydrophobicContact CD1-CB 4.14Å; L220-V287 HydrophobicContact CD1-CG2 3.5Å; L220-V287 VanDerWaalsContact CD1-CG2 3.5Å; L220-V287 HydrophobicContact CD2-CG2 3.68Å; L220-V287 HydrophobicContact CG-CG2 4.27Å |
| 221 | P | 97.4 | Very high | 97.9 | Very high | 103 Ų | 103 | 48.9 Ų | 48.9 | 67% | 0.669 | 28% | 0.275 | S | S | * | . | trans | -55.7 | 128 | 175.3 | -26 | 35.5 | 0 | 0 | 0 | 111.1 | C31 N284 | C31-P221 WeakPolarHBondContact CB-O 3.3Å; P221-N284 VanDerWaalsContact CA-OD1 3.29Å; P221-N284 WeakPolarHBondContact CA-OD1 3.18Å | ||
| 222 | S | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | trans | -153.5 | 151.1 | -179.9 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | T27 L220 N283 N284 | T27-S222 VanDerWaalsContact OG1-CA 3.3Å; T27-S222 WeakPolarHBondContact OG1-CA 3.48Å; T27-S222 PolarHBondContact OG1-OG 2.92Å; L220-S222 PolarHBondContact O-N 2.79Å; S222-N283 VanDerWaalsContact CB-O 3.26Å; S222-N283 WeakPolarHBondContact CB-O 3.13Å; S222-N283 CarbonylContact O-C 3.57Å; S222-N283 WeakPolarHBondContact O-CA 3.19Å; S222-N283 PolarHBondContact O-N 3.13Å; S222-N283 PolarHBondContact OG-ND2 3.44Å; S222-N283 VanDerWaalsContact OG-ND2 3.13Å; S222-N284 PolarHBondContact N-OD1 2.92Å; S222-N284 PolarHBondContact O-N 2.8Å; S222-N284 PolarHBondContact O-OD1 3.31Å | ||
| 223 | H | 97.6 | Very high | 97.4 | Very high | 59 Ų | 59 | 55.5 Ų | 55.5 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 156.1 | -179.6 | 56.1 | -80.8 | 0 | 0 | 0 | 111.7 | S26 T27 L280 F281 | S26-H223 CarbonylContact C-O 3.56Å; S26-H223 WeakPolarHBondContact CA-O 3.43Å; S26-H223 WeakPolarHBondContact CB-O 3.39Å; T27-H223 WeakPolarHBondContact CG2-CE1 3.45Å; T27-H223 PolarHBondContact N-O 3.38Å; T27-H223 PolarHBondContact OG1-N 3.35Å; T27-H223 PolarHBondContact OG1-O 3.03Å; H223-L280 HydrophobicContact CB-CB 4.2Å; H223-F281 CarbonylContact C-O 3.55Å; H223-F281 VanDerWaalsContact CA-O 3.24Å; H223-F281 WeakPolarHBondContact CA-O 3.24Å |
| 224 | M | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120.3 | 174.3 | 175.5 | -168.6 | -178.8 | 0 | 0 | 108.4 | F22 N25 W179 I226 L240 F243 L244 L280 F281 N283 | F22-M224 HydrophobicContact CB-CE 4.44Å; F22-M224 HydrophobicContact CD2-CE 4.02Å; F22-M224 HydrophobicContact CD2-CG 4.19Å; F22-M224 HydrophobicContact CD2-SD 3.82Å; F22-M224 HydrophobicContact CE2-SD 4.28Å; N25-M224 CarbonylContact O-C 3.28Å; N25-M224 WeakPolarHBondContact O-CA 3.47Å; W179-M224 HydrophobicContact CZ2-SD 4.49Å; M224-I226 HydrophobicContact CE-CG2 4.07Å; M224-I226 HydrophobicContact CG-CG2 3.86Å; M224-I226 PolarHBondContact O-N 2.96Å; M224-I226 HydrophobicContact SD-CG2 3.93Å; M224-L240 HydrophobicContact CE-CB 3.98Å; M224-L240 HydrophobicContact CE-CD1 4.39Å; M224-L240 HydrophobicContact CE-CD2 3.16Å; M224-L240 HydrophobicContact CE-CG 4Å; M224-F243 HydrophobicContact CE-CD1 4.25Å; M224-L244 HydrophobicContact CE-CD2 4.45Å; M224-L244 HydrophobicContact CE-CG 4.24Å; M224-L244 HydrophobicContact SD-CD2 4.06Å; M224-L244 HydrophobicContact SD-CG 4.48Å; M224-L280 CarbonylContact O-C 3.47Å; M224-F281 HydrophobicContact CB-CB 4.25Å; M224-F281 HydrophobicContact CB-CD1 4.5Å; M224-F281 PolarHBondContact N-O 2.92Å; M224-F281 PolarHBondContact O-N 3.35Å; M224-F281 HydrophobicContact SD-CD1 4.47Å; M224-N283 HydrophobicContact CB-CB 4.19Å |
| 225 | D | 98.6 | Very high | 97.3 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 106.7 | 176.5 | -171.6 | -17 | 0 | 0 | 0 | 109.4 | N25 T227 K278 L280 | N25-D225 PolarHBondContact O-N 3.27Å; D225-T227 WeakPolarHBondContact OD1-CB 3.26Å; D225-T227 PolarHBondContact OD1-N 3.1Å; D225-T227 PolarHBondContact OD1-OG1 3Å; D225-K278 WeakPolarHBondContact OD2-CD 3.47Å; D225-K278 WeakPolarHBondContact OD2-CE 3.38Å; D225-K278 IonicContact OD2-NZ 3.36Å; D225-K278 PolarHBondContact OD2-NZ 3.31Å; D225-L280 HydrophobicContact CB-CD2 4.04Å |
| 226 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -106.7 | 17.3 | -178.8 | 61.8 | 158.7 | 0 | 0 | 0 | 111.5 | M224 S228 C229 F230 L244 L266 V279 F281 | M224-I226 HydrophobicContact CE-CG2 4.07Å; M224-I226 HydrophobicContact CG-CG2 3.86Å; M224-I226 PolarHBondContact O-N 2.96Å; M224-I226 HydrophobicContact SD-CG2 3.93Å; I226-S228 PolarHBondContact O-N 3.27Å; I226-C229 WeakPolarHBondContact O-CB 3.46Å; I226-C229 PolarHBondContact O-N 2.81Å; I226-C229 PolarHBondContact O-SG 2.84Å; I226-F230 HydrophobicContact CD1-CE2 3.99Å; I226-F230 HydrophobicContact CD1-CZ 4.2Å; I226-F230 HydrophobicContact CG1-CE2 4.17Å; I226-F230 WeakPolarHBondContact O-CD2 3.34Å; I226-F230 WeakPolarHBondContact O-CE2 3.49Å; I226-L244 HydrophobicContact CG2-CD1 3.9Å; I226-L266 HydrophobicContact CD1-CB 3.93Å; I226-L266 HydrophobicContact CD1-CD2 4.31Å; I226-L266 HydrophobicContact CD1-CG 4.5Å; I226-V279 HydrophobicContact CD1-CG1 3.87Å; I226-V279 HydrophobicContact CG1-CB 4.04Å; I226-V279 HydrophobicContact CG1-CG1 3.75Å; I226-V279 WeakPolarHBondContact CG1-O 3.43Å; I226-V279 PolarHBondContact N-O 2.88Å; I226-F281 HydrophobicContact CD1-CB 3.98Å; I226-F281 HydrophobicContact CD1-CD2 4.47Å; I226-F281 HydrophobicContact CG1-CB 4.04Å; I226-F281 HydrophobicContact CG2-CB 3.81Å | ||
| 227 | T | 98.4 | Very high | 97.3 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 26% | 0.258 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -57.6 | -38.9 | -177.8 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | D225 C229 F230 K278 V279 | D225-T227 WeakPolarHBondContact OD1-CB 3.26Å; D225-T227 PolarHBondContact OD1-N 3.1Å; D225-T227 PolarHBondContact OD1-OG1 3Å; T227-C229 PolarHBondContact O-N 2.83Å; T227-F230 PolarHBondContact O-N 3.06Å; T227-F230 VanDerWaalsContact O-N 3.17Å; T227-K278 VanDerWaalsContact OG1-CA 3.28Å; T227-K278 WeakPolarHBondContact OG1-CA 3.3Å; T227-V279 PolarHBondContact OG1-N 2.85Å |
| 228 | S | 98.1 | Very high | 97.2 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -63.2 | -26.7 | 179 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | I226 F230 T231 G237 | I226-S228 PolarHBondContact O-N 3.27Å; S228-F230 PolarHBondContact O-N 2.8Å; S228-F230 VanDerWaalsContact O-N 3.16Å; S228-T231 PolarHBondContact O-N 2.82Å; S228-G237 WeakPolarHBondContact OG-CA 3.48Å; S228-G237 PolarHBondContact OG-N 2.8Å |
| 229 | C | 98.1 | Very high | 97.2 | Very high | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -59.6 | -26.3 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | I226 T227 L240 L241 M263 | I226-C229 WeakPolarHBondContact O-CB 3.46Å; I226-C229 PolarHBondContact O-N 2.81Å; I226-C229 PolarHBondContact O-SG 2.84Å; T227-C229 PolarHBondContact O-N 2.83Å; C229-L240 VanDerWaalsContact SG-CB 3.6Å; C229-L241 HydrophobicContact CB-CD1 4.28Å; C229-L241 HydrophobicContact CB-CD2 3.88Å; C229-L241 HydrophobicContact CB-CG 3.84Å; C229-M263 WeakPolarHBondContact O-CE 3.36Å |
| 230 | F | 97 | Very high | 97.3 | Very high | 46 Ų | 46 | 44 Ų | 44 | 20% | 0.202 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -92.9 | 4.2 | -179.6 | -55.4 | -77.2 | 0 | 0 | 0 | 113.7 | I226 T227 S228 M263 L266 R267 V279 | I226-F230 HydrophobicContact CD1-CE2 3.99Å; I226-F230 HydrophobicContact CD1-CZ 4.2Å; I226-F230 HydrophobicContact CG1-CE2 4.17Å; I226-F230 WeakPolarHBondContact O-CD2 3.34Å; I226-F230 WeakPolarHBondContact O-CE2 3.49Å; T227-F230 PolarHBondContact O-N 3.06Å; T227-F230 VanDerWaalsContact O-N 3.17Å; S228-F230 PolarHBondContact O-N 2.8Å; S228-F230 VanDerWaalsContact O-N 3.16Å; F230-M263 HydrophobicContact CD1-CE 3.36Å; F230-M263 HydrophobicContact CE1-CE 3.59Å; F230-M263 WeakPolarHBondContact CE1-O 3.31Å; F230-M263 HydrophobicContact CG-CE 4.16Å; F230-L266 HydrophobicContact CZ-CB 4.04Å; F230-R267 VanDerWaalsContact CB-NH2 3.33Å; F230-R267 HydrophobicContact CD1-CG 4.33Å; F230-R267 HydrophobicContact CE1-CG 3.49Å; F230-R267 VanDerWaalsContact CE1-CG 3.49Å; F230-R267 VanDerWaalsContact CE1-NE 3.27Å; F230-R267 HydrophobicContact CE2-CG 4.17Å; F230-R267 VanDerWaalsContact CG-NH2 3.3Å; F230-R267 HydrophobicContact CZ-CG 3.39Å; F230-V279 HydrophobicContact CD2-CB 4.42Å; F230-V279 HydrophobicContact CD2-CG2 4.06Å; F230-V279 HydrophobicContact CE2-CB 3.9Å; F230-V279 HydrophobicContact CE2-CG1 3.84Å; F230-V279 HydrophobicContact CE2-CG2 3.86Å; F230-V279 HydrophobicContact CZ-CG1 4.38Å |
| 231 | T | 96.3 | Very high | 97.3 | Very high | 76 Ų | 76 | 43.7 Ų | 43.7 | 47% | 0.466 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -104.9 | 110.8 | 177 | -56.4 | 0 | 0 | 0 | 0 | 109.3 | S228 G233 N234 | S228-T231 PolarHBondContact O-N 2.82Å; T231-G233 PolarHBondContact O-N 3.1Å; T231-N234 HydrophobicContact CG2-CB 4.14Å; T231-N234 VanDerWaalsContact O-CB 3.27Å; T231-N234 WeakPolarHBondContact O-CB 3.24Å; T231-N234 PolarHBondContact O-N 2.85Å; T231-N234 VanDerWaalsContact O-N 3.11Å |
| 232 | E | 91.8 | Very high | 97.3 | Very high | 197 Ų | 197 | 38.8 Ų | 38.8 | 92% | 0.921 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 128.9 | -178.7 | -171.7 | 175.9 | -174.3 | 0 | 0 | 111.6 | N234 | E232-N234 VanDerWaalsContact C-N 3.28Å; E232-N234 PolarHBondContact O-N 2.94Å |
| 233 | G | 91.3 | Very high | 97.2 | Very high | 61 Ų | 61 | 39.2 Ų | 39.2 | 63% | 0.629 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 2.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T231 T235 | T231-G233 PolarHBondContact O-N 3.1Å; G233-T235 PolarHBondContact O-N 3.23Å |
| 234 | N | 97.5 | Very high | 97.2 | Very high | 57 Ų | 57 | 36.4 Ų | 36.4 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | trans | -71.9 | 116 | 175.7 | -173.7 | -63.6 | 0 | 0 | 0 | 111.2 | T231 E232 D236 G237 E238 | T231-N234 HydrophobicContact CG2-CB 4.14Å; T231-N234 VanDerWaalsContact O-CB 3.27Å; T231-N234 WeakPolarHBondContact O-CB 3.24Å; T231-N234 PolarHBondContact O-N 2.85Å; T231-N234 VanDerWaalsContact O-N 3.11Å; E232-N234 VanDerWaalsContact C-N 3.28Å; E232-N234 PolarHBondContact O-N 2.94Å; N234-D236 PolarHBondContact O-N 3.47Å; N234-D236 PolarHBondContact OD1-N 2.86Å; N234-G237 PolarHBondContact O-N 2.81Å; N234-G237 VanDerWaalsContact O-N 3.15Å; N234-G237 PolarHBondContact OD1-N 2.6Å; N234-E238 WeakPolarHBondContact O-CG 3.18Å; N234-E238 PolarHBondContact O-N 2.95Å | ||
| 235 | T | 97 | Very high | 97 | Very high | 103 Ų | 103 | 36.4 Ų | 36.4 | 63% | 0.632 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -59.9 | -42 | -176.1 | -50.6 | 0 | 0 | 0 | 0 | 113.8 | G233 G237 E238 L239 | G233-T235 PolarHBondContact O-N 3.23Å; T235-G237 VanDerWaalsContact C-N 3.35Å; T235-E238 PolarHBondContact O-N 3.27Å; T235-L239 WeakPolarHBondContact O-CG 3.39Å; T235-L239 PolarHBondContact O-N 3.49Å; T235-L239 VanDerWaalsContact O-N 3.14Å |
| 236 | D | 97.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 36 Ų | 36 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67 | -40.6 | 177.8 | -75.4 | 7.1 | 0 | 0 | 0 | 110 | I21 N234 E238 L239 L240 | I21-D236 HydrophobicContact CG2-CB 3.89Å; N234-D236 PolarHBondContact O-N 3.47Å; N234-D236 PolarHBondContact OD1-N 2.86Å; D236-E238 PolarHBondContact O-N 3.04Å; D236-L239 PolarHBondContact O-N 3.18Å; D236-L240 VanDerWaalsContact O-CG 3.3Å; D236-L240 WeakPolarHBondContact O-CG 3.29Å; D236-L240 PolarHBondContact O-N 3.32Å |
| 237 | G | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S228 N234 T235 L239 L240 L241 | S228-G237 WeakPolarHBondContact OG-CA 3.48Å; S228-G237 PolarHBondContact OG-N 2.8Å; N234-G237 PolarHBondContact O-N 2.81Å; N234-G237 VanDerWaalsContact O-N 3.15Å; N234-G237 PolarHBondContact OD1-N 2.6Å; T235-G237 VanDerWaalsContact C-N 3.35Å; G237-L239 PolarHBondContact O-N 3.19Å; G237-L240 PolarHBondContact O-N 2.88Å; G237-L241 WeakPolarHBondContact O-CG 3.13Å; G237-L241 PolarHBondContact O-N 3.26Å |
| 238 | E | 97.8 | Very high | 96.5 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 22% | 0.22 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.4 | -64.8 | -63.2 | 167.4 | 0 | 0 | 112 | N234 T235 D236 L241 D242 S251 | N234-E238 WeakPolarHBondContact O-CG 3.18Å; N234-E238 PolarHBondContact O-N 2.95Å; T235-E238 PolarHBondContact O-N 3.27Å; D236-E238 PolarHBondContact O-N 3.04Å; E238-L241 PolarHBondContact O-N 3.41Å; E238-D242 PolarHBondContact O-N 3.31Å; E238-D242 VanDerWaalsContact O-N 3.09Å; E238-S251 WeakPolarHBondContact OE2-CB 3.37Å; E238-S251 PolarHBondContact OE2-OG 3.46Å |
| 239 | L | 98.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.4 | -35.3 | 177 | -73.7 | 171.4 | 0 | 0 | 0 | 112.7 | E17 S18 I21 T235 D236 G237 D242 F243 | E17-L239 HydrophobicContact CB-CD1 4.47Å; E17-L239 HydrophobicContact CB-CD2 4.18Å; S18-L239 WeakPolarHBondContact CB-O 3.23Å; S18-L239 PolarHBondContact OG-O 2.74Å; I21-L239 HydrophobicContact CB-CB 4.49Å; I21-L239 HydrophobicContact CG1-CB 4.27Å; I21-L239 HydrophobicContact CG1-CD1 3.72Å; T235-L239 WeakPolarHBondContact O-CG 3.39Å; T235-L239 PolarHBondContact O-N 3.49Å; T235-L239 VanDerWaalsContact O-N 3.14Å; D236-L239 PolarHBondContact O-N 3.18Å; G237-L239 PolarHBondContact O-N 3.19Å; L239-D242 PolarHBondContact O-N 2.91Å; L239-F243 PolarHBondContact O-N 2.84Å; L239-F243 VanDerWaalsContact O-N 3.15Å |
| 240 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.9 | -37.4 | 175.4 | -69.9 | 176.3 | 0 | 0 | 0 | 112.1 | I21 F22 N25 M224 C229 D236 G237 D242 F243 L244 | I21-L240 HydrophobicContact CB-CD2 4.27Å; I21-L240 HydrophobicContact CG2-CD1 4.28Å; I21-L240 HydrophobicContact CG2-CD2 3.71Å; I21-L240 HydrophobicContact CG2-CG 3.75Å; F22-L240 HydrophobicContact CB-CD2 4.33Å; N25-L240 HydrophobicContact CB-CD1 4.4Å; M224-L240 HydrophobicContact CE-CB 3.98Å; M224-L240 HydrophobicContact CE-CD1 4.39Å; M224-L240 HydrophobicContact CE-CD2 3.16Å; M224-L240 HydrophobicContact CE-CG 4Å; C229-L240 VanDerWaalsContact SG-CB 3.6Å; D236-L240 VanDerWaalsContact O-CG 3.3Å; D236-L240 WeakPolarHBondContact O-CG 3.29Å; D236-L240 PolarHBondContact O-N 3.32Å; G237-L240 PolarHBondContact O-N 2.88Å; L240-D242 VanDerWaalsContact C-N 3.31Å; L240-F243 WeakPolarHBondContact O-CB 3.16Å; L240-F243 PolarHBondContact O-N 3.02Å; L240-L244 WeakPolarHBondContact O-CG 3.23Å; L240-L244 PolarHBondContact O-N 3.04Å |
| 241 | L | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 172.6 | -76.6 | 174.4 | 0 | 0 | 0 | 111.7 | C229 G237 E238 F243 L244 T245 F250 S251 M263 L266 | C229-L241 HydrophobicContact CB-CD1 4.28Å; C229-L241 HydrophobicContact CB-CD2 3.88Å; C229-L241 HydrophobicContact CB-CG 3.84Å; G237-L241 WeakPolarHBondContact O-CG 3.13Å; G237-L241 PolarHBondContact O-N 3.26Å; E238-L241 PolarHBondContact O-N 3.41Å; L241-F243 VanDerWaalsContact C-N 3.26Å; L241-F243 PolarHBondContact O-N 3.27Å; L241-L244 PolarHBondContact O-N 3.3Å; L241-T245 WeakPolarHBondContact O-CB 3.32Å; L241-T245 WeakPolarHBondContact O-CG2 3.45Å; L241-T245 PolarHBondContact O-N 3.05Å; L241-T245 PolarHBondContact O-OG1 3.33Å; L241-F250 HydrophobicContact CB-CD1 4.35Å; L241-S251 WeakPolarHBondContact CD1-OG 3.24Å; L241-M263 HydrophobicContact CD1-SD 4.02Å; L241-M263 HydrophobicContact CD2-SD 3.56Å; L241-M263 VanDerWaalsContact CD2-SD 3.56Å; L241-M263 HydrophobicContact CG-SD 4.44Å; L241-L266 HydrophobicContact CD2-CD1 3.94Å |
| 242 | D | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -38.9 | 174.8 | -74.1 | 5.1 | 0 | 0 | 0 | 112 | L8 R14 E238 L239 L240 E246 T247 E249 F250 | L8-D242 HydrophobicContact CD1-CB 4.34Å; R14-D242 IonicContact CZ-OD2 3.93Å; R14-D242 IonicContact NE-OD2 3.81Å; R14-D242 PolarHBondContact NE-OD2 3.05Å; R14-D242 IonicContact NH2-OD2 2.75Å; R14-D242 PolarHBondContact NH2-OD2 3.2Å; E238-D242 PolarHBondContact O-N 3.31Å; E238-D242 VanDerWaalsContact O-N 3.09Å; L239-D242 PolarHBondContact O-N 2.91Å; L240-D242 VanDerWaalsContact C-N 3.31Å; D242-E246 CarbonylContact O-C 3.54Å; D242-E246 VanDerWaalsContact O-CA 3.28Å; D242-E246 WeakPolarHBondContact O-CA 3.32Å; D242-E246 PolarHBondContact O-N 2.94Å; D242-T247 WeakPolarHBondContact CA-O 3.33Å; D242-T247 WeakPolarHBondContact CB-O 3.48Å; D242-T247 PolarHBondContact O-N 3.05Å; D242-E249 VanDerWaalsContact CG-N 3.27Å; D242-E249 WeakPolarHBondContact OD1-CA 3.45Å; D242-E249 PolarHBondContact OD1-N 3.45Å; D242-E249 VanDerWaalsContact OD1-N 3.15Å; D242-E249 PolarHBondContact OD2-N 2.76Å; D242-F250 PolarHBondContact OD1-N 3.14Å |
| 243 | F | 96.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 29.9 Ų | 29.9 | 7% | 0.066 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.9 | -51.9 | 176.4 | -166.6 | -106.4 | 0 | 0 | 0 | 112 | L8 F19 F22 W179 M224 L239 L240 L241 T245 E246 | L8-F243 HydrophobicContact CD2-CD2 4.3Å; F19-F243 HydrophobicContact CB-CE2 4.39Å; F19-F243 HydrophobicContact CD2-CE2 4.04Å; F19-F243 HydrophobicContact CD2-CZ 4.22Å; F22-F243 HydrophobicContact CB-CD1 3.8Å; F22-F243 HydrophobicContact CB-CE1 3.8Å; F22-F243 HydrophobicContact CB-CG 4.18Å; F22-F243 HydrophobicContact CB-CZ 4.18Å; F22-F243 AromaticContact CD1-CE1 3.78Å; F22-F243 HydrophobicContact CD1-CE1 3.78Å; F22-F243 AromaticContact CD1-CZ 3.72Å; F22-F243 HydrophobicContact CD1-CZ 3.72Å; F22-F243 AromaticContact CD2-CD1 3.97Å; F22-F243 HydrophobicContact CD2-CD1 3.97Å; F22-F243 AromaticContact CD2-CE1 3.52Å; F22-F243 HydrophobicContact CD2-CE1 3.52Å; F22-F243 HydrophobicContact CD2-CZ 4.32Å; F22-F243 HydrophobicContact CE1-CE1 4.21Å; F22-F243 HydrophobicContact CE1-CZ 4.15Å; F22-F243 AromaticContact CE2-CE1 3.97Å; F22-F243 HydrophobicContact CE2-CE1 3.97Å; F22-F243 AromaticContact CG-CD1 3.88Å; F22-F243 HydrophobicContact CG-CD1 3.88Å; F22-F243 AromaticContact CG-CE1 3.4Å; F22-F243 HydrophobicContact CG-CE1 3.4Å; F22-F243 AromaticContact CG-CZ 3.8Å; F22-F243 HydrophobicContact CG-CZ 3.8Å; F22-F243 HydrophobicContact CZ-CE1 4.28Å; W179-F243 AromaticContact CH2-CD1 3.77Å; W179-F243 HydrophobicContact CH2-CD1 3.77Å; W179-F243 AromaticContact CH2-CE1 3.76Å; W179-F243 HydrophobicContact CH2-CE1 3.76Å; W179-F243 HydrophobicContact CZ2-CD1 4.29Å; W179-F243 AromaticContact CZ2-CE1 3.95Å; W179-F243 HydrophobicContact CZ2-CE1 3.95Å; M224-F243 HydrophobicContact CE-CD1 4.25Å; L239-F243 PolarHBondContact O-N 2.84Å; L239-F243 VanDerWaalsContact O-N 3.15Å; L240-F243 WeakPolarHBondContact O-CB 3.16Å; L240-F243 PolarHBondContact O-N 3.02Å; L241-F243 VanDerWaalsContact C-N 3.26Å; L241-F243 PolarHBondContact O-N 3.27Å; F243-T245 PolarHBondContact O-N 3.36Å; F243-T245 VanDerWaalsContact O-N 3.14Å; F243-E246 PolarHBondContact O-N 2.84Å; F243-E246 VanDerWaalsContact O-N 3.11Å |
| 244 | L | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.8 | -35.6 | 179.2 | -74.1 | 162.5 | 0 | 0 | 0 | 112.6 | W179 L182 M224 I226 L240 L241 L266 F281 | W179-L244 HydrophobicContact CH2-CD2 3.89Å; W179-L244 HydrophobicContact CZ2-CD2 4.39Å; W179-L244 HydrophobicContact CZ3-CD2 4.1Å; L182-L244 HydrophobicContact CD2-CB 4.32Å; L182-L244 WeakPolarHBondContact CD2-O 3.24Å; M224-L244 HydrophobicContact CE-CD2 4.45Å; M224-L244 HydrophobicContact CE-CG 4.24Å; M224-L244 HydrophobicContact SD-CD2 4.06Å; M224-L244 HydrophobicContact SD-CG 4.48Å; I226-L244 HydrophobicContact CG2-CD1 3.9Å; L240-L244 WeakPolarHBondContact O-CG 3.23Å; L240-L244 PolarHBondContact O-N 3.04Å; L241-L244 PolarHBondContact O-N 3.3Å; L244-L266 HydrophobicContact CD1-CD1 3.96Å; L244-L266 HydrophobicContact CD1-CD2 4.15Å; L244-L266 HydrophobicContact CD2-CD2 4.34Å; L244-F281 HydrophobicContact CD2-CD1 4.08Å; L244-F281 HydrophobicContact CD2-CD2 4.26Å; L244-F281 HydrophobicContact CD2-CE1 3.99Å; L244-F281 HydrophobicContact CD2-CE2 4.17Å; L244-F281 HydrophobicContact CD2-CG 4.19Å; L244-F281 HydrophobicContact CD2-CZ 4.01Å |
| 245 | T | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 0.6 | -175.9 | 63 | 0 | 0 | 0 | 0 | 113.6 | L190 L241 F243 T247 F250 I262 | L190-T245 HydrophobicContact CD2-CG2 4.4Å; L241-T245 WeakPolarHBondContact O-CB 3.32Å; L241-T245 WeakPolarHBondContact O-CG2 3.45Å; L241-T245 PolarHBondContact O-N 3.05Å; L241-T245 PolarHBondContact O-OG1 3.33Å; F243-T245 PolarHBondContact O-N 3.36Å; F243-T245 VanDerWaalsContact O-N 3.14Å; T245-T247 PolarHBondContact O-N 3.15Å; T245-T247 PolarHBondContact O-OG1 3.48Å; T245-T247 WeakPolarHBondContact OG1-CB 3.48Å; T245-F250 HydrophobicContact CG2-CD1 3.97Å; T245-F250 HydrophobicContact CG2-CD2 3.77Å; T245-F250 HydrophobicContact CG2-CE1 4.01Å; T245-F250 HydrophobicContact CG2-CE2 3.82Å; T245-F250 HydrophobicContact CG2-CG 3.85Å; T245-F250 HydrophobicContact CG2-CZ 3.96Å; T245-F250 WeakPolarHBondContact OG1-CB 3.48Å; T245-F250 WeakPolarHBondContact OG1-CD2 3.01Å; T245-F250 WeakPolarHBondContact OG1-CG 3.41Å; T245-I262 HydrophobicContact CG2-CD1 4.3Å; T245-I262 HydrophobicContact CG2-CG2 4.19Å |
| 246 | E | 94.6 | Very high | 96.3 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.3 | 40.1 | -170.4 | -66.1 | -61.8 | 164.9 | 0 | 0 | 112.9 | S7 L8 Y198 D242 F243 | S7-E246 CarbonylContact C-O 3.6Å; S7-E246 WeakPolarHBondContact CA-O 3.49Å; L8-E246 PolarHBondContact N-O 3.23Å; Y198-E246 HydrophobicContact CE1-CB 4.3Å; Y198-E246 HydrophobicContact CE1-CG 3.9Å; D242-E246 CarbonylContact O-C 3.54Å; D242-E246 VanDerWaalsContact O-CA 3.28Å; D242-E246 WeakPolarHBondContact O-CA 3.32Å; D242-E246 PolarHBondContact O-N 2.94Å; F243-E246 PolarHBondContact O-N 2.84Å; F243-E246 VanDerWaalsContact O-N 3.11Å |
| 247 | T | 94.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -130.1 | 128.2 | -172.6 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | M5 K6 P191 D242 T245 E249 F250 | M5-T247 HydrophobicContact CB-CG2 3.87Å; M5-T247 HydrophobicContact CG-CG2 4.13Å; M5-T247 HydrophobicContact SD-CG2 4.31Å; K6-T247 CarbonylContact O-C 3.35Å; K6-T247 WeakPolarHBondContact O-CA 3.48Å; P191-T247 WeakPolarHBondContact CD-OG1 3.31Å; P191-T247 HydrophobicContact CG-CG2 3.97Å; P191-T247 WeakPolarHBondContact CG-OG1 3.49Å; D242-T247 WeakPolarHBondContact CA-O 3.33Å; D242-T247 WeakPolarHBondContact CB-O 3.48Å; D242-T247 PolarHBondContact O-N 3.05Å; T245-T247 PolarHBondContact O-N 3.15Å; T245-T247 PolarHBondContact O-OG1 3.48Å; T245-T247 WeakPolarHBondContact OG1-CB 3.48Å; T247-E249 PolarHBondContact O-N 3.42Å; T247-F250 HydrophobicContact CG2-CB 4.21Å; T247-F250 HydrophobicContact CG2-CD2 4.2Å |
| 248 | C | 94.5 | Very high | 96.3 | Very high | 13 Ų | 13 | 33 Ų | 33 | 9% | 0.088 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 126.3 | 173.3 | -71.8 | 0 | 0 | 0 | 0 | 111.5 | K6 N11 F250 T253 | K6-C248 PolarHBondContact O-N 3.07Å; N11-C248 VanDerWaalsContact CB-SG 3.54Å; C248-F250 VanDerWaalsContact C-N 3.26Å; C248-F250 PolarHBondContact O-N 3.32Å; C248-T253 PolarHBondContact O-OG1 2.93Å |
| 249 | E | 95.3 | Very high | 96.2 | Very high | 71 Ų | 71 | 33.9 Ų | 33.9 | 33% | 0.332 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 46.1 | 176.4 | -58.7 | -169.9 | 103.9 | 0 | 0 | 112 | R14 D242 T247 S251 K252 T253 | R14-E249 VanDerWaalsContact CZ-CG 3.45Å; D242-E249 VanDerWaalsContact CG-N 3.27Å; D242-E249 WeakPolarHBondContact OD1-CA 3.45Å; D242-E249 PolarHBondContact OD1-N 3.45Å; D242-E249 VanDerWaalsContact OD1-N 3.15Å; D242-E249 PolarHBondContact OD2-N 2.76Å; T247-E249 PolarHBondContact O-N 3.42Å; E249-S251 VanDerWaalsContact C-N 3.3Å; E249-S251 PolarHBondContact O-N 3.07Å; E249-K252 HydrophobicContact CB-CB 4.37Å; E249-K252 HydrophobicContact CB-CD 4.32Å; E249-K252 PolarHBondContact O-N 3.4Å; E249-K252 IonicContact OE1-NZ 2.72Å; E249-K252 PolarHBondContact OE1-NZ 3.04Å; E249-T253 HydrophobicContact CB-CG2 4.32Å; E249-T253 PolarHBondContact O-N 3.17Å; E249-T253 PolarHBondContact O-OG1 2.94Å |
| 250 | F | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -49.5 | -51 | -174.8 | 173.2 | -102.3 | 0 | 0 | 0 | 111.5 | M5 L190 L241 D242 T245 T247 C248 K252 T253 A254 K259 I262 | M5-F250 HydrophobicContact SD-CD2 4.47Å; M5-F250 HydrophobicContact SD-CE2 4.49Å; L190-F250 HydrophobicContact CD2-CD2 4.42Å; L190-F250 HydrophobicContact CD2-CE2 4.06Å; L241-F250 HydrophobicContact CB-CD1 4.35Å; D242-F250 PolarHBondContact OD1-N 3.14Å; T245-F250 HydrophobicContact CG2-CD1 3.97Å; T245-F250 HydrophobicContact CG2-CD2 3.77Å; T245-F250 HydrophobicContact CG2-CE1 4.01Å; T245-F250 HydrophobicContact CG2-CE2 3.82Å; T245-F250 HydrophobicContact CG2-CG 3.85Å; T245-F250 HydrophobicContact CG2-CZ 3.96Å; T245-F250 WeakPolarHBondContact OG1-CB 3.48Å; T245-F250 WeakPolarHBondContact OG1-CD2 3.01Å; T245-F250 WeakPolarHBondContact OG1-CG 3.41Å; T247-F250 HydrophobicContact CG2-CB 4.21Å; T247-F250 HydrophobicContact CG2-CD2 4.2Å; C248-F250 VanDerWaalsContact C-N 3.26Å; C248-F250 PolarHBondContact O-N 3.32Å; F250-K252 PolarHBondContact O-N 2.92Å; F250-T253 PolarHBondContact O-N 3.29Å; F250-T253 VanDerWaalsContact O-N 3.17Å; F250-A254 HydrophobicContact CD2-CB 3.72Å; F250-A254 HydrophobicContact CE1-CB 4.33Å; F250-A254 HydrophobicContact CE2-CB 3.43Å; F250-A254 VanDerWaalsContact CE2-CB 3.43Å; F250-A254 HydrophobicContact CG-CB 4.28Å; F250-A254 HydrophobicContact CZ-CB 3.75Å; F250-A254 WeakPolarHBondContact O-CB 3.41Å; F250-A254 PolarHBondContact O-N 2.83Å; F250-K259 HydrophobicContact CE1-CB 4.35Å; F250-K259 HydrophobicContact CE1-CG 4.05Å; F250-K259 HydrophobicContact CZ-CB 4.39Å; F250-I262 HydrophobicContact CE1-CG2 4.49Å; F250-I262 HydrophobicContact CE2-CD1 3.95Å; F250-I262 HydrophobicContact CZ-CB 4.28Å; F250-I262 HydrophobicContact CZ-CD1 3.69Å; F250-I262 HydrophobicContact CZ-CG2 4.37Å |
| 251 | S | 94.5 | Very high | 96.2 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -23.4 | -179.2 | -71.7 | 0 | 0 | 0 | 0 | 115.7 | E238 L241 E249 K259 | E238-S251 WeakPolarHBondContact OE2-CB 3.37Å; E238-S251 PolarHBondContact OE2-OG 3.46Å; L241-S251 WeakPolarHBondContact CD1-OG 3.24Å; E249-S251 VanDerWaalsContact C-N 3.3Å; E249-S251 PolarHBondContact O-N 3.07Å; S251-K259 PolarHBondContact O-NZ 3.39Å; S251-K259 VanDerWaalsContact O-NZ 3.1Å |
| 252 | K | 94.3 | Very high | 96.2 | Very high | 146 Ų | 146 | 42 Ų | 42 | 64% | 0.635 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -97.8 | -29.3 | -178.7 | -59.5 | -178 | -170.3 | 167.4 | 0 | 112.5 | E249 F250 | E249-K252 HydrophobicContact CB-CB 4.37Å; E249-K252 HydrophobicContact CB-CD 4.32Å; E249-K252 PolarHBondContact O-N 3.4Å; E249-K252 IonicContact OE1-NZ 2.72Å; E249-K252 PolarHBondContact OE1-NZ 3.04Å; F250-K252 PolarHBondContact O-N 2.92Å |
| 253 | T | 95.5 | Very high | 96.2 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -104.6 | -26.3 | -170.5 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | C248 E249 F250 | C248-T253 PolarHBondContact O-OG1 2.93Å; E249-T253 HydrophobicContact CB-CG2 4.32Å; E249-T253 PolarHBondContact O-N 3.17Å; E249-T253 PolarHBondContact O-OG1 2.94Å; F250-T253 PolarHBondContact O-N 3.29Å; F250-T253 VanDerWaalsContact O-N 3.17Å |
| 254 | A | 96.3 | Very high | 96.3 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 8% | 0.083 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -65.8 | 142.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M5 F250 K259 | M5-A254 HydrophobicContact SD-CB 3.9Å; F250-A254 HydrophobicContact CD2-CB 3.72Å; F250-A254 HydrophobicContact CE1-CB 4.33Å; F250-A254 HydrophobicContact CE2-CB 3.43Å; F250-A254 VanDerWaalsContact CE2-CB 3.43Å; F250-A254 HydrophobicContact CG-CB 4.28Å; F250-A254 HydrophobicContact CZ-CB 3.75Å; F250-A254 WeakPolarHBondContact O-CB 3.41Å; F250-A254 PolarHBondContact O-N 2.83Å; A254-K259 HydrophobicContact CB-CB 4.26Å |
| 255 | P | 96.3 | Very high | 96.3 | Very high | 68 Ų | 68 | 48 Ų | 48 | 44% | 0.442 | 24% | 0.243 | S | C | . | . | trans | -52.6 | 136.9 | 166.8 | -25.2 | 34.5 | 0 | 0 | 0 | 110.6 | E257 L258 K259 | P255-E257 PolarHBondContact O-N 2.66Å; P255-E257 VanDerWaalsContact O-N 3.16Å; P255-L258 HydrophobicContact CB-CB 4.2Å; P255-L258 HydrophobicContact CG-CB 4.45Å; P255-L258 PolarHBondContact O-N 2.82Å; P255-K259 PolarHBondContact O-N 2.6Å | ||
| 256 | P | 96.2 | Very high | 96.4 | Very high | 111 Ų | 111 | 48 Ų | 48 | 72% | 0.721 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -54.4 | -38.9 | -175.9 | -29.4 | 35.5 | 0 | 0 | 0 | 113.9 | K259 Q260 | P256-K259 PolarHBondContact O-N 3.22Å; P256-Q260 WeakPolarHBondContact O-CB 3.34Å; P256-Q260 PolarHBondContact O-N 2.9Å |
| 257 | E | 97.1 | Very high | 96.5 | Very high | 134 Ų | 134 | 53 Ų | 53 | 63% | 0.626 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.2 | -45.7 | 177.1 | -176.2 | 177.7 | -173 | 0 | 0 | 112 | P255 K259 Q260 Q261 | P255-E257 PolarHBondContact O-N 2.66Å; P255-E257 VanDerWaalsContact O-N 3.16Å; E257-K259 VanDerWaalsContact C-N 3.35Å; E257-K259 PolarHBondContact O-N 3.3Å; E257-Q260 PolarHBondContact O-N 3.33Å; E257-Q261 WeakPolarHBondContact O-CB 3.35Å; E257-Q261 VanDerWaalsContact O-CG 3.26Å; E257-Q261 WeakPolarHBondContact O-CG 3.28Å; E257-Q261 PolarHBondContact O-N 2.84Å; E257-Q261 PolarHBondContact OE1-NE2 3.47Å |
| 258 | L | 97 | Very high | 96.6 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 176.6 | 178.5 | 62.7 | 0 | 0 | 0 | 111.1 | M5 Y186 H189 P255 Q260 Q261 I262 | M5-L258 HydrophobicContact CE-CD2 3.83Å; M5-L258 HydrophobicContact SD-CD2 4.14Å; Y186-L258 HydrophobicContact CD1-CD1 3.93Å; H189-L258 HydrophobicContact CB-CD1 3.85Å; H189-L258 HydrophobicContact CB-CD2 4.15Å; P255-L258 HydrophobicContact CB-CB 4.2Å; P255-L258 HydrophobicContact CG-CB 4.45Å; P255-L258 PolarHBondContact O-N 2.82Å; L258-Q260 VanDerWaalsContact C-N 3.34Å; L258-Q260 PolarHBondContact O-N 2.96Å; L258-Q261 PolarHBondContact O-N 3.03Å; L258-I262 HydrophobicContact CD1-CD1 3.79Å; L258-I262 HydrophobicContact CD1-CG1 4.17Å; L258-I262 HydrophobicContact CG-CD1 4Å; L258-I262 PolarHBondContact O-N 2.91Å |
| 259 | K | 97.1 | Very high | 96.7 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 29% | 0.291 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.6 | -49.2 | 175.6 | -176 | -178.8 | -177.4 | 177.6 | 0 | 110.5 | F250 S251 A254 P255 P256 E257 Q261 I262 M263 | F250-K259 HydrophobicContact CE1-CB 4.35Å; F250-K259 HydrophobicContact CE1-CG 4.05Å; F250-K259 HydrophobicContact CZ-CB 4.39Å; S251-K259 PolarHBondContact O-NZ 3.39Å; S251-K259 VanDerWaalsContact O-NZ 3.1Å; A254-K259 HydrophobicContact CB-CB 4.26Å; P255-K259 PolarHBondContact O-N 2.6Å; P256-K259 PolarHBondContact O-N 3.22Å; E257-K259 VanDerWaalsContact C-N 3.35Å; E257-K259 PolarHBondContact O-N 3.3Å; K259-Q261 PolarHBondContact O-N 2.96Å; K259-I262 PolarHBondContact O-N 3.13Å; K259-M263 HydrophobicContact CG-CG 4.31Å; K259-M263 WeakPolarHBondContact O-CB 3.38Å; K259-M263 WeakPolarHBondContact O-CG 3.32Å; K259-M263 PolarHBondContact O-N 3.47Å |
| 260 | Q | 97.7 | Very high | 96.7 | Very high | 117 Ų | 117 | 63.2 Ų | 63.2 | 55% | 0.547 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 178.5 | -178.5 | -179.3 | -4.1 | 0 | 0 | 111.6 | P256 E257 L258 I262 M263 E264 | P256-Q260 WeakPolarHBondContact O-CB 3.34Å; P256-Q260 PolarHBondContact O-N 2.9Å; E257-Q260 PolarHBondContact O-N 3.33Å; L258-Q260 VanDerWaalsContact C-N 3.34Å; L258-Q260 PolarHBondContact O-N 2.96Å; Q260-I262 PolarHBondContact O-N 2.93Å; Q260-M263 PolarHBondContact O-N 3.47Å; Q260-E264 HydrophobicContact CG-CG 4.47Å; Q260-E264 VanDerWaalsContact CG-OE1 3.31Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.12Å; Q260-E264 PolarHBondContact NE2-OE1 3.48Å; Q260-E264 WeakPolarHBondContact O-CB 3.34Å; Q260-E264 WeakPolarHBondContact O-CG 3.29Å; Q260-E264 PolarHBondContact O-N 2.94Å |
| 261 | Q | 98 | Very high | 96.8 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 33% | 0.327 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | -178.8 | -72 | 172.7 | 0.1 | 0 | 0 | 112.6 | Y186 E257 L258 K259 E264 E265 | Y186-Q261 HydrophobicContact CE1-CB 3.85Å; Y186-Q261 PolarHBondContact OH-O 2.65Å; Y186-Q261 VanDerWaalsContact OH-O 3.12Å; E257-Q261 WeakPolarHBondContact O-CB 3.35Å; E257-Q261 VanDerWaalsContact O-CG 3.26Å; E257-Q261 WeakPolarHBondContact O-CG 3.28Å; E257-Q261 PolarHBondContact O-N 2.84Å; E257-Q261 PolarHBondContact OE1-NE2 3.47Å; L258-Q261 PolarHBondContact O-N 3.03Å; K259-Q261 PolarHBondContact O-N 2.96Å; Q261-E264 PolarHBondContact O-N 3.34Å; Q261-E265 WeakPolarHBondContact O-CB 3.44Å; Q261-E265 PolarHBondContact O-N 3.26Å |
| 262 | I | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 176.6 | -73.9 | 175.2 | 0 | 0 | 0 | 110.4 | L182 Y186 L190 T245 F250 L258 K259 Q260 E264 E265 L266 | L182-I262 HydrophobicContact CD1-CG2 4.27Å; Y186-I262 HydrophobicContact CD1-CD1 4.3Å; Y186-I262 HydrophobicContact CD1-CG1 3.75Å; Y186-I262 HydrophobicContact CD2-CG1 3.91Å; Y186-I262 HydrophobicContact CE1-CG1 4.06Å; Y186-I262 HydrophobicContact CE2-CG1 4.16Å; Y186-I262 HydrophobicContact CG-CD1 4.12Å; Y186-I262 HydrophobicContact CG-CG1 3.67Å; L190-I262 HydrophobicContact CD2-CD1 4.11Å; T245-I262 HydrophobicContact CG2-CD1 4.3Å; T245-I262 HydrophobicContact CG2-CG2 4.19Å; F250-I262 HydrophobicContact CE1-CG2 4.49Å; F250-I262 HydrophobicContact CE2-CD1 3.95Å; F250-I262 HydrophobicContact CZ-CB 4.28Å; F250-I262 HydrophobicContact CZ-CD1 3.69Å; F250-I262 HydrophobicContact CZ-CG2 4.37Å; L258-I262 HydrophobicContact CD1-CD1 3.79Å; L258-I262 HydrophobicContact CD1-CG1 4.17Å; L258-I262 HydrophobicContact CG-CD1 4Å; L258-I262 PolarHBondContact O-N 2.91Å; K259-I262 PolarHBondContact O-N 3.13Å; Q260-I262 PolarHBondContact O-N 2.93Å; I262-E264 VanDerWaalsContact C-N 3.32Å; I262-E264 PolarHBondContact O-N 3.27Å; I262-E265 PolarHBondContact O-N 3.48Å; I262-E265 VanDerWaalsContact O-N 3.13Å; I262-L266 HydrophobicContact CG2-CD1 4.01Å; I262-L266 HydrophobicContact CG2-CG 4.24Å; I262-L266 VanDerWaalsContact O-CG 3.3Å; I262-L266 WeakPolarHBondContact O-CG 3.46Å; I262-L266 PolarHBondContact O-N 3.48Å |
| 263 | M | 97.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 60.3 Ų | 60.3 | 17% | 0.167 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 178.1 | -70.7 | -60.9 | -70.5 | 0 | 0 | 112.4 | C229 F230 L241 K259 Q260 L266 | C229-M263 WeakPolarHBondContact O-CE 3.36Å; F230-M263 HydrophobicContact CD1-CE 3.36Å; F230-M263 HydrophobicContact CE1-CE 3.59Å; F230-M263 WeakPolarHBondContact CE1-O 3.31Å; F230-M263 HydrophobicContact CG-CE 4.16Å; L241-M263 HydrophobicContact CD1-SD 4.02Å; L241-M263 HydrophobicContact CD2-SD 3.56Å; L241-M263 VanDerWaalsContact CD2-SD 3.56Å; L241-M263 HydrophobicContact CG-SD 4.44Å; K259-M263 HydrophobicContact CG-CG 4.31Å; K259-M263 WeakPolarHBondContact O-CB 3.38Å; K259-M263 WeakPolarHBondContact O-CG 3.32Å; K259-M263 PolarHBondContact O-N 3.47Å; Q260-M263 PolarHBondContact O-N 3.47Å; M263-L266 HydrophobicContact SD-CD1 4.45Å |
| 264 | E | 97.7 | Very high | 97.2 | Very high | 97 Ų | 97 | 66 Ų | 66 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 173.6 | -73.7 | 173.9 | -168.2 | 0 | 0 | 111.5 | Q260 Q261 I262 R267 K268 | Q260-E264 HydrophobicContact CG-CG 4.47Å; Q260-E264 VanDerWaalsContact CG-OE1 3.31Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.12Å; Q260-E264 PolarHBondContact NE2-OE1 3.48Å; Q260-E264 WeakPolarHBondContact O-CB 3.34Å; Q260-E264 WeakPolarHBondContact O-CG 3.29Å; Q260-E264 PolarHBondContact O-N 2.94Å; Q261-E264 PolarHBondContact O-N 3.34Å; I262-E264 VanDerWaalsContact C-N 3.32Å; I262-E264 PolarHBondContact O-N 3.27Å; E264-R267 PolarHBondContact O-N 2.96Å; E264-K268 WeakPolarHBondContact O-CG 3.19Å |
| 265 | E | 98 | Very high | 97.2 | Very high | 10 Ų | 10 | 70.7 Ų | 70.7 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.3 | -157.7 | 78 | 176.3 | 0 | 0 | 112.7 | K185 Y186 Q261 I262 R267 K268 C271 | K185-E265 HydrophobicContact CD-CG 4.42Å; K185-E265 WeakPolarHBondContact CD-OE1 3.34Å; K185-E265 IonicContact NZ-OE1 2.88Å; K185-E265 PolarHBondContact NZ-OE1 2.96Å; K185-E265 IonicContact NZ-OE2 2.68Å; K185-E265 PolarHBondContact NZ-OE2 3.36Å; Y186-E265 HydrophobicContact CE2-CB 3.66Å; Y186-E265 HydrophobicContact CE2-CG 3.76Å; Y186-E265 PolarHBondContact OH-OE2 3.05Å; Q261-E265 WeakPolarHBondContact O-CB 3.44Å; Q261-E265 PolarHBondContact O-N 3.26Å; I262-E265 PolarHBondContact O-N 3.48Å; I262-E265 VanDerWaalsContact O-N 3.13Å; E265-R267 PolarHBondContact O-N 2.84Å; E265-K268 WeakPolarHBondContact O-CB 3.35Å; E265-K268 PolarHBondContact O-N 3.33Å; E265-K268 WeakPolarHBondContact OE2-CE 3.36Å; E265-K268 IonicContact OE2-NZ 2.73Å; E265-K268 PolarHBondContact OE2-NZ 3.34Å; E265-C271 WeakPolarHBondContact O-CB 3.3Å |
| 266 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.6 | -179.1 | -73.4 | 174.7 | 0 | 0 | 0 | 113.2 | L182 I226 F230 L241 L244 I262 M263 S272 F281 | L182-L266 HydrophobicContact CD1-CD2 4.34Å; L182-L266 HydrophobicContact CD2-CD2 4.44Å; I226-L266 HydrophobicContact CD1-CB 3.93Å; I226-L266 HydrophobicContact CD1-CD2 4.31Å; I226-L266 HydrophobicContact CD1-CG 4.5Å; F230-L266 HydrophobicContact CZ-CB 4.04Å; L241-L266 HydrophobicContact CD2-CD1 3.94Å; L244-L266 HydrophobicContact CD1-CD1 3.96Å; L244-L266 HydrophobicContact CD1-CD2 4.15Å; L244-L266 HydrophobicContact CD2-CD2 4.34Å; I262-L266 HydrophobicContact CG2-CD1 4.01Å; I262-L266 HydrophobicContact CG2-CG 4.24Å; I262-L266 VanDerWaalsContact O-CG 3.3Å; I262-L266 WeakPolarHBondContact O-CG 3.46Å; I262-L266 PolarHBondContact O-N 3.48Å; M263-L266 HydrophobicContact SD-CD1 4.45Å; L266-S272 WeakPolarHBondContact O-CB 3.23Å; L266-S272 PolarHBondContact O-OG 3.04Å; L266-F281 HydrophobicContact CD2-CD2 3.94Å; L266-F281 HydrophobicContact CD2-CE2 3.86Å |
| 267 | R | 96.5 | Very high | 97.1 | Very high | 121 Ų | 121 | 73.2 Ų | 73.2 | 46% | 0.457 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -10.7 | 173.2 | -68.9 | -169.1 | 170.2 | -137.9 | 4.2 | 114.2 | F230 E264 E265 E274 | F230-R267 VanDerWaalsContact CB-NH2 3.33Å; F230-R267 HydrophobicContact CD1-CG 4.33Å; F230-R267 HydrophobicContact CE1-CG 3.49Å; F230-R267 VanDerWaalsContact CE1-CG 3.49Å; F230-R267 VanDerWaalsContact CE1-NE 3.27Å; F230-R267 HydrophobicContact CE2-CG 4.17Å; F230-R267 VanDerWaalsContact CG-NH2 3.3Å; F230-R267 HydrophobicContact CZ-CG 3.39Å; E264-R267 PolarHBondContact O-N 2.96Å; E265-R267 PolarHBondContact O-N 2.84Å; R267-E274 IonicContact NH1-OE1 3.81Å |
| 268 | K | 97.5 | Very high | 97.1 | Very high | 75 Ų | 75 | 71.5 Ų | 71.5 | 33% | 0.326 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -76.4 | 152.2 | -175.9 | -61.3 | -177.5 | -175.1 | 162.6 | 0 | 111.1 | E264 E265 E270 C271 S272 | E264-K268 WeakPolarHBondContact O-CG 3.19Å; E265-K268 WeakPolarHBondContact O-CB 3.35Å; E265-K268 PolarHBondContact O-N 3.33Å; E265-K268 WeakPolarHBondContact OE2-CE 3.36Å; E265-K268 IonicContact OE2-NZ 2.73Å; E265-K268 PolarHBondContact OE2-NZ 3.34Å; K268-E270 WeakPolarHBondContact CB-OE2 3.26Å; K268-E270 PolarHBondContact O-N 3.32Å; K268-C271 PolarHBondContact O-N 2.65Å; K268-S272 PolarHBondContact O-N 3.16Å |
| 269 | P | 96.4 | Very high | 97.1 | Very high | 118 Ų | 118 | 71.1 Ų | 71.1 | 77% | 0.766 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -24.4 | -179.6 | -26.4 | 36 | 0 | 0 | 0 | 114.8 | C271 S272 | P269-C271 VanDerWaalsContact C-N 3.29Å; P269-C271 PolarHBondContact O-N 2.99Å; P269-S272 WeakPolarHBondContact CA-O 3.42Å |
| 270 | E | 95.5 | Very high | 97.2 | Very high | 105 Ų | 105 | 68.3 Ų | 68.3 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -18.9 | 177.8 | -58.6 | 82.2 | 178.5 | 0 | 0 | 113.4 | T181 K268 | T181-E270 HydrophobicContact CG2-CB 3.87Å; T181-E270 PolarHBondContact OG1-O 3.36Å; T181-E270 VanDerWaalsContact OG1-O 3.12Å; K268-E270 WeakPolarHBondContact CB-OE2 3.26Å; K268-E270 PolarHBondContact O-N 3.32Å |
| 271 | C | 97.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -39.7 | 177.2 | -73.6 | 0 | 0 | 0 | 0 | 112.5 | E265 K268 P269 F281 N282 | E265-C271 WeakPolarHBondContact O-CB 3.3Å; K268-C271 PolarHBondContact O-N 2.65Å; P269-C271 VanDerWaalsContact C-N 3.29Å; P269-C271 PolarHBondContact O-N 2.99Å; C271-F281 HydrophobicContact CB-CD2 4.16Å; C271-F281 HydrophobicContact CB-CE2 3.98Å; C271-F281 WeakPolarHBondContact O-CD2 2.88Å; C271-N282 WeakPolarHBondContact O-CB 3.21Å; C271-N282 PolarHBondContact O-N 2.97Å |
| 272 | S | 98.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 161.7 | -168.6 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | L266 K268 P269 L280 F281 | L266-S272 WeakPolarHBondContact O-CB 3.23Å; L266-S272 PolarHBondContact O-OG 3.04Å; K268-S272 PolarHBondContact O-N 3.16Å; P269-S272 WeakPolarHBondContact CA-O 3.42Å; S272-L280 CarbonylContact C-O 3.49Å; S272-L280 WeakPolarHBondContact CA-O 3.36Å; S272-L280 WeakPolarHBondContact CB-O 3.26Å; S272-F281 VanDerWaalsContact OG-CA 3.32Å; S272-F281 WeakPolarHBondContact OG-CA 3.33Å |
| 273 | E | 97.6 | Very high | 97.3 | Very high | 94 Ų | 94 | 61.5 Ų | 61.5 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 149.3 | 165 | 64 | 174.3 | -162.5 | 0 | 0 | 111.3 | R275 L280 | E273-R275 IonicContact OE1-CZ 3.6Å; E273-R275 IonicContact OE1-NE 3.94Å; E273-R275 IonicContact OE1-NH1 2.53Å; E273-R275 PolarHBondContact OE1-NH1 3.28Å; E273-L280 HydrophobicContact CG-CB 3.97Å; E273-L280 PolarHBondContact N-O 3.32Å; E273-L280 PolarHBondContact O-N 3.43Å |
| 274 | E | 96.6 | Very high | 97.3 | Very high | 135 Ų | 135 | 61.8 Ų | 61.8 | 63% | 0.631 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 120.2 | 168.1 | -69.9 | -167.3 | 176.5 | 0 | 0 | 109.7 | R267 K278 V279 | R267-E274 IonicContact NH1-OE1 3.81Å; E274-K278 VanDerWaalsContact CA-O 3.3Å; E274-K278 WeakPolarHBondContact CA-O 3.39Å; E274-V279 HydrophobicContact CG-CG2 4.43Å |
| 275 | R | 96.5 | Very high | 97.4 | Very high | 107 Ų | 107 | 57.1 Ų | 57.1 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 126.2 | -178.3 | -169.6 | 171.6 | 71.8 | -154.5 | 5.6 | 110.3 | E273 G277 K278 L280 | E273-R275 IonicContact OE1-CZ 3.6Å; E273-R275 IonicContact OE1-NE 3.94Å; E273-R275 IonicContact OE1-NH1 2.53Å; E273-R275 PolarHBondContact OE1-NH1 3.28Å; R275-G277 PolarHBondContact O-N 3.16Å; R275-K278 PolarHBondContact N-O 3.18Å; R275-K278 WeakPolarHBondContact O-CB 3.4Å; R275-K278 PolarHBondContact O-N 3.04Å; R275-L280 HydrophobicContact CB-CD1 3.9Å |
| 276 | D | 95 | Very high | 97.4 | Very high | 156 Ų | 156 | 56.7 Ų | 56.7 | 83% | 0.834 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 37.8 | 179.5 | -56 | -44.2 | 0 | 0 | 0 | 114.3 | K278 | D276-K278 VanDerWaalsContact C-N 3.26Å; D276-K278 PolarHBondContact O-N 2.84Å |
| 277 | G | 94.6 | Very high | 97.4 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 78% | 0.784 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 8.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R275 | R275-G277 PolarHBondContact O-N 3.16Š|
| 278 | K | 97.6 | Very high | 97.6 | Very high | 98 Ų | 98 | 50.9 Ų | 50.9 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 150.9 | 174.9 | -61.9 | 174.5 | 163.8 | -133.9 | 0 | 111.2 | D225 T227 E274 R275 D276 L280 | D225-K278 WeakPolarHBondContact OD2-CD 3.47Å; D225-K278 WeakPolarHBondContact OD2-CE 3.38Å; D225-K278 IonicContact OD2-NZ 3.36Å; D225-K278 PolarHBondContact OD2-NZ 3.31Å; T227-K278 VanDerWaalsContact OG1-CA 3.28Å; T227-K278 WeakPolarHBondContact OG1-CA 3.3Å; E274-K278 VanDerWaalsContact CA-O 3.3Å; E274-K278 WeakPolarHBondContact CA-O 3.39Å; R275-K278 PolarHBondContact N-O 3.18Å; R275-K278 WeakPolarHBondContact O-CB 3.4Å; R275-K278 PolarHBondContact O-N 3.04Å; D276-K278 VanDerWaalsContact C-N 3.26Å; D276-K278 PolarHBondContact O-N 2.84Å; K278-L280 HydrophobicContact CB-CD2 3.91Å; K278-L280 HydrophobicContact CB-CG 4.33Å; K278-L280 HydrophobicContact CD-CD2 4.39Å |
| 279 | V | 98.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 111.1 | 169 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | I226 T227 F230 E274 | I226-V279 HydrophobicContact CD1-CG1 3.87Å; I226-V279 HydrophobicContact CG1-CB 4.04Å; I226-V279 HydrophobicContact CG1-CG1 3.75Å; I226-V279 WeakPolarHBondContact CG1-O 3.43Å; I226-V279 PolarHBondContact N-O 2.88Å; T227-V279 PolarHBondContact OG1-N 2.85Å; F230-V279 HydrophobicContact CD2-CB 4.42Å; F230-V279 HydrophobicContact CD2-CG2 4.06Å; F230-V279 HydrophobicContact CE2-CB 3.9Å; F230-V279 HydrophobicContact CE2-CG1 3.84Å; F230-V279 HydrophobicContact CE2-CG2 3.86Å; F230-V279 HydrophobicContact CZ-CG1 4.38Å; E274-V279 HydrophobicContact CG-CG2 4.43Å |
| 280 | L | 98.6 | Very high | 97.7 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 103 | -175.7 | -57.1 | -175.1 | 0 | 0 | 0 | 109.3 | H223 M224 D225 S272 E273 R275 K278 | H223-L280 HydrophobicContact CB-CB 4.2Å; M224-L280 CarbonylContact O-C 3.47Å; D225-L280 HydrophobicContact CB-CD2 4.04Å; S272-L280 CarbonylContact C-O 3.49Å; S272-L280 WeakPolarHBondContact CA-O 3.36Å; S272-L280 WeakPolarHBondContact CB-O 3.26Å; E273-L280 HydrophobicContact CG-CB 3.97Å; E273-L280 PolarHBondContact N-O 3.32Å; E273-L280 PolarHBondContact O-N 3.43Å; R275-L280 HydrophobicContact CB-CD1 3.9Å; K278-L280 HydrophobicContact CB-CD2 3.91Å; K278-L280 HydrophobicContact CB-CG 4.33Å; K278-L280 HydrophobicContact CD-CD2 4.39Å |
| 281 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 133.6 | 174.5 | -177.6 | -98 | 0 | 0 | 0 | 110.2 | W179 H223 M224 I226 L244 L266 C271 S272 N283 | W179-F281 AromaticContact CD1-CE1 3.83Å; W179-F281 AromaticContact CD2-CE1 3.69Å; W179-F281 HydrophobicContact CD2-CE1 3.69Å; W179-F281 HydrophobicContact CD2-CZ 4.03Å; W179-F281 AromaticContact CE2-CE1 3.57Å; W179-F281 HydrophobicContact CE3-CE1 4.3Å; W179-F281 HydrophobicContact CE3-CZ 4.32Å; W179-F281 AromaticContact CG-CE1 3.89Å; W179-F281 HydrophobicContact CG-CE1 3.89Å; W179-F281 HydrophobicContact CG-CZ 4.18Å; W179-F281 HydrophobicContact CZ2-CE1 4.09Å; W179-F281 AromaticContact NE1-CE1 3.65Å; H223-F281 CarbonylContact C-O 3.55Å; H223-F281 VanDerWaalsContact CA-O 3.24Å; H223-F281 WeakPolarHBondContact CA-O 3.24Å; M224-F281 HydrophobicContact CB-CB 4.25Å; M224-F281 HydrophobicContact CB-CD1 4.5Å; M224-F281 PolarHBondContact N-O 2.92Å; M224-F281 PolarHBondContact O-N 3.35Å; M224-F281 HydrophobicContact SD-CD1 4.47Å; I226-F281 HydrophobicContact CD1-CB 3.98Å; I226-F281 HydrophobicContact CD1-CD2 4.47Å; I226-F281 HydrophobicContact CG1-CB 4.04Å; I226-F281 HydrophobicContact CG2-CB 3.81Å; L244-F281 HydrophobicContact CD2-CD1 4.08Å; L244-F281 HydrophobicContact CD2-CD2 4.26Å; L244-F281 HydrophobicContact CD2-CE1 3.99Å; L244-F281 HydrophobicContact CD2-CE2 4.17Å; L244-F281 HydrophobicContact CD2-CG 4.19Å; L244-F281 HydrophobicContact CD2-CZ 4.01Å; L266-F281 HydrophobicContact CD2-CD2 3.94Å; L266-F281 HydrophobicContact CD2-CE2 3.86Å; C271-F281 HydrophobicContact CB-CD2 4.16Å; C271-F281 HydrophobicContact CB-CE2 3.98Å; C271-F281 WeakPolarHBondContact O-CD2 2.88Å; S272-F281 VanDerWaalsContact OG-CA 3.32Å; S272-F281 WeakPolarHBondContact OG-CA 3.33Å; F281-N283 PolarHBondContact O-N 3.17Å |
| 282 | N | 98.6 | Very high | 97.7 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 99.7 | 178 | 175 | -4.5 | 0 | 0 | 0 | 109.2 | A176 G178 C271 N284 | A176-N282 PolarHBondContact O-ND2 3.17Å; G178-N282 PolarHBondContact N-O 2.58Å; C271-N282 WeakPolarHBondContact O-CB 3.21Å; C271-N282 PolarHBondContact O-N 2.97Å; N282-N284 VanDerWaalsContact OD1-CB 3.26Å; N282-N284 WeakPolarHBondContact OD1-CB 3.35Å; N282-N284 PolarHBondContact OD1-N 2.89Å; N282-N284 PolarHBondContact OD1-ND2 2.95Å; N282-N284 PolarHBondContact OD1-OD1 3Å |
| 283 | N | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | trans | -101.1 | 26.1 | 178.9 | -174 | 55.2 | 0 | 0 | 0 | 111.1 | E28 W179 S222 M224 F281 L285 | E28-N283 PolarHBondContact OE2-ND2 3.31Å; W179-N283 PolarHBondContact NE1-OD1 3.34Å; S222-N283 VanDerWaalsContact CB-O 3.26Å; S222-N283 WeakPolarHBondContact CB-O 3.13Å; S222-N283 CarbonylContact O-C 3.57Å; S222-N283 WeakPolarHBondContact O-CA 3.19Å; S222-N283 PolarHBondContact O-N 3.13Å; S222-N283 PolarHBondContact OG-ND2 3.44Å; S222-N283 VanDerWaalsContact OG-ND2 3.13Å; M224-N283 HydrophobicContact CB-CB 4.19Å; F281-N283 PolarHBondContact O-N 3.17Å; N283-L285 WeakPolarHBondContact O-CD2 3.45Å; N283-L285 PolarHBondContact O-N 2.92Å | ||
| 284 | N | 98.5 | Very high | 97.6 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | trans | -49.5 | 134.3 | -178.8 | -74.5 | -3.8 | 0 | 0 | 0 | 110.7 | S174 S177 L220 P221 S222 N282 | S174-N284 VanDerWaalsContact CB-O 3.31Å; S174-N284 WeakPolarHBondContact CB-O 3.3Å; S174-N284 PolarHBondContact N-O 2.86Å; S177-N284 WeakPolarHBondContact CB-O 3.34Å; L220-N284 WeakPolarHBondContact O-CA 3.5Å; P221-N284 VanDerWaalsContact CA-OD1 3.29Å; P221-N284 WeakPolarHBondContact CA-OD1 3.18Å; S222-N284 PolarHBondContact N-OD1 2.92Å; S222-N284 PolarHBondContact O-N 2.8Å; S222-N284 PolarHBondContact O-OD1 3.31Å; N282-N284 VanDerWaalsContact OD1-CB 3.26Å; N282-N284 WeakPolarHBondContact OD1-CB 3.35Å; N282-N284 PolarHBondContact OD1-N 2.89Å; N282-N284 PolarHBondContact OD1-ND2 2.95Å; N282-N284 PolarHBondContact OD1-OD1 3Å | ||
| 285 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 160 | 174.5 | -51.7 | -175.3 | 0 | 0 | 0 | 109.1 | C31 M32 Q143 I171 L172 V173 L220 N283 | C31-L285 VanDerWaalsContact SG-CD1 3.54Å; M32-L285 HydrophobicContact CE-CD1 3.52Å; M32-L285 HydrophobicContact CG-CD1 4.06Å; Q143-L285 VanDerWaalsContact NE2-CD2 3.33Å; I171-L285 HydrophobicContact CG2-CB 4.45Å; I171-L285 HydrophobicContact CG2-CD1 4.23Å; L172-L285 CarbonylContact O-C 3.51Å; L172-L285 WeakPolarHBondContact O-CA 3.37Å; V173-L285 HydrophobicContact CG1-CD2 4.01Å; L220-L285 HydrophobicContact CB-CB 4.09Å; L220-L285 PolarHBondContact N-O 2.92Å; L220-L285 PolarHBondContact O-N 3.18Å; N283-L285 WeakPolarHBondContact O-CD2 3.45Å; N283-L285 PolarHBondContact O-N 2.92Å |
| 286 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 143.2 | 164.5 | -43.8 | 0 | 0 | 0 | 0 | 110.2 | I171 L172 S174 S201 Y218 E219 | I171-S286 WeakPolarHBondContact CA-O 3.49Å; L172-S286 PolarHBondContact N-O 3.34Å; L172-S286 PolarHBondContact O-N 3.5Å; S174-S286 VanDerWaalsContact CA-OG 3.32Å; S174-S286 WeakPolarHBondContact CA-OG 3.48Å; S174-S286 WeakPolarHBondContact CB-OG 3.26Å; S174-S286 PolarHBondContact OG-OG 2.94Å; S201-S286 VanDerWaalsContact CB-CB 3.44Å; S201-S286 VanDerWaalsContact CB-OG 3.23Å; S201-S286 WeakPolarHBondContact CB-OG 3.43Å; S201-S286 PolarHBondContact OG-OG 2.99Å; Y218-S286 CarbonylContact O-C 3.54Å; Y218-S286 VanDerWaalsContact O-CA 3.24Å; Y218-S286 WeakPolarHBondContact O-CA 3.49Å; E219-S286 WeakPolarHBondContact OE1-CB 3.42Å; E219-S286 PolarHBondContact OE1-OG 3.12Å |
| 287 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.9 | 165.4 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | F35 L169 I170 I171 L217 Y218 L220 V289 | F35-V287 HydrophobicContact CD1-CG2 3.99Å; F35-V287 HydrophobicContact CD2-CB 4.29Å; F35-V287 HydrophobicContact CD2-CG2 3.92Å; F35-V287 HydrophobicContact CE1-CB 4.43Å; F35-V287 HydrophobicContact CE1-CG1 3.84Å; F35-V287 HydrophobicContact CE1-CG2 4.14Å; F35-V287 HydrophobicContact CE2-CB 3.95Å; F35-V287 HydrophobicContact CE2-CG1 3.93Å; F35-V287 HydrophobicContact CE2-CG2 4.05Å; F35-V287 HydrophobicContact CG-CG2 3.9Å; F35-V287 HydrophobicContact CZ-CB 4.04Å; F35-V287 HydrophobicContact CZ-CG1 3.51Å; F35-V287 HydrophobicContact CZ-CG2 4.17Å; L169-V287 HydrophobicContact CD1-CG1 3.75Å; L169-V287 HydrophobicContact CD2-CG1 4.24Å; L169-V287 HydrophobicContact CG-CG1 3.76Å; I170-V287 CarbonylContact O-C 3.53Å; I170-V287 WeakPolarHBondContact O-CA 3.49Å; I171-V287 HydrophobicContact CD1-CG2 3.97Å; I171-V287 HydrophobicContact CG1-CG1 4.4Å; I171-V287 HydrophobicContact CG1-CG2 3.94Å; I171-V287 HydrophobicContact CG2-CG2 4.44Å; L217-V287 CarbonylContact C-O 3.51Å; L217-V287 WeakPolarHBondContact CA-O 3.49Å; Y218-V287 HydrophobicContact CD2-CB 4.45Å; Y218-V287 PolarHBondContact N-O 3.31Å; Y218-V287 PolarHBondContact O-N 3.05Å; L220-V287 HydrophobicContact CD1-CB 4.14Å; L220-V287 HydrophobicContact CD1-CG2 3.5Å; L220-V287 VanDerWaalsContact CD1-CG2 3.5Å; L220-V287 HydrophobicContact CD2-CG2 3.68Å; L220-V287 HydrophobicContact CG-CG2 4.27Å; V287-V289 HydrophobicContact CG1-CG2 4.2Å |
| 288 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.4 | 174.3 | -55.9 | 169.1 | 0 | 0 | 0 | 108.1 | L169 I170 L172 I204 E205 L208 H215 Q216 L217 I290 | L169-I288 CarbonylContact C-O 3.43Å; L169-I288 WeakPolarHBondContact CA-O 3.33Å; I170-I288 HydrophobicContact CB-CB 4.42Å; I170-I288 PolarHBondContact N-O 3.15Å; I170-I288 PolarHBondContact O-N 2.91Å; L172-I288 HydrophobicContact CD2-CD1 3.86Å; L172-I288 HydrophobicContact CD2-CG1 4.45Å; I204-I288 HydrophobicContact CB-CD1 3.67Å; I204-I288 HydrophobicContact CG2-CD1 3.49Å; I204-I288 VanDerWaalsContact CG2-CD1 3.49Å; E205-I288 HydrophobicContact CG-CD1 4.44Å; L208-I288 HydrophobicContact CD1-CG2 3.59Å; H215-I288 HydrophobicContact CB-CG2 4.03Å; Q216-I288 WeakPolarHBondContact O-CA 3.44Å; L217-I288 HydrophobicContact CD1-CD1 4.22Å; L217-I288 HydrophobicContact CD1-CG1 3.5Å; L217-I288 VanDerWaalsContact CD1-CG1 3.5Å; I288-I290 HydrophobicContact CG2-CG1 4.03Å |
| 289 | V | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.024 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.1 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | V43 K167 L169 H215 Q216 Y218 V287 | V43-V289 HydrophobicContact CG1-CG1 3.7Å; V43-V289 HydrophobicContact CG1-CG2 3.97Å; V43-V289 HydrophobicContact CG2-CG2 4.01Å; K167-V289 HydrophobicContact CB-CG1 4.33Å; K167-V289 HydrophobicContact CD-CG1 4.02Å; K167-V289 HydrophobicContact CG-CG1 4.43Å; L169-V289 HydrophobicContact CD1-CG2 4.38Å; H215-V289 CarbonylContact C-O 3.55Å; H215-V289 WeakPolarHBondContact CA-O 3.36Å; H215-V289 WeakPolarHBondContact CB-O 3.31Å; Q216-V289 PolarHBondContact N-O 3.35Å; Q216-V289 PolarHBondContact O-N 3.12Å; Y218-V289 HydrophobicContact CD2-CG2 4.28Å; Y218-V289 HydrophobicContact CE2-CB 4.37Å; Y218-V289 HydrophobicContact CE2-CG2 3.74Å; V287-V289 HydrophobicContact CG1-CG2 4.2Å |
| 290 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134 | -175.7 | -51.8 | 163.6 | 0 | 0 | 0 | 109.2 | I155 L168 I170 L208 L213 H215 I288 | I155-I290 HydrophobicContact CG2-CD1 4.44Å; L168-I290 HydrophobicContact CB-CB 4.18Å; L168-I290 HydrophobicContact CD2-CD1 3.71Å; L168-I290 HydrophobicContact CG-CD1 4Å; L168-I290 PolarHBondContact N-O 2.97Å; L168-I290 VanDerWaalsContact N-O 3.07Å; L168-I290 PolarHBondContact O-N 3.4Å; I170-I290 HydrophobicContact CD1-CD1 3.64Å; I170-I290 HydrophobicContact CG1-CD1 4.29Å; L208-I290 HydrophobicContact CD1-CD1 3.84Å; L208-I290 HydrophobicContact CD1-CG1 3.9Å; L208-I290 HydrophobicContact CD2-CD1 3.6Å; L208-I290 HydrophobicContact CD2-CG1 4.2Å; L208-I290 HydrophobicContact CG-CD1 4.38Å; L213-I290 HydrophobicContact CB-CG2 4.3Å; H215-I290 HydrophobicContact CB-CG1 4.14Å; I288-I290 HydrophobicContact CG2-CG1 4.03Å |
| 291 | E | 98 | Very high | 98.2 | Very high | 53 Ų | 53 | 18.3 Ų | 18.3 | 25% | 0.248 | 10% | 0.103 | C | C | . | . | trans | -80.3 | 154.7 | 175.4 | -61.8 | -65 | 159.8 | 0 | 0 | 111.6 | H159 K167 K214 | H159-E291 PolarHBondContact CD2-O 2.68Å; H159-E291 PolarHBondContact NE2-O 2.88Å; K167-E291 IonicContact NZ-OE1 2.67Å; K167-E291 PolarHBondContact NZ-OE1 3.48Å; K167-E291 IonicContact NZ-OE2 3.26Å; K167-E291 PolarHBondContact NZ-OE2 3.4Å; K214-E291 HydrophobicContact CB-CB 4.19Å; K214-E291 HydrophobicContact CB-CG 4.23Å; K214-E291 HydrophobicContact CD-CG 3.95Å; K214-E291 HydrophobicContact CG-CB 4.45Å; K214-E291 HydrophobicContact CG-CG 3.93Å; K214-E291 PolarHBondContact O-N 2.73Å | ||
| 292 | P | 93.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 20 Ų | 20 | 51% | 0.513 | 11% | 0.112 | S | C | . | . | trans | -65.6 | 0 | 178.6 | 28.3 | -33.8 | 0 | 0 | 0 | 113.7 | H159 L162 E163 A164 A166 | H159-P292 PolarHBondContact CE1-OXT 3.34Å; H159-P292 PolarHBondContact NE2-OXT 2.85Å; H159-P292 VanDerWaalsContact NE2-OXT 3.13Å; L162-P292 HydrophobicContact CB-CB 3.88Å; L162-P292 HydrophobicContact CD1-CB 4.33Å; E163-P292 VanDerWaalsContact O-CB 3.27Å; E163-P292 WeakPolarHBondContact O-CB 3.45Å; A164-P292 WeakPolarHBondContact O-CG 3.16Å; A166-P292 WeakPolarHBondContact O-CD 3.39Å |
Retrieved 292 of 292 residues in 121.6 ms
(Link to these results)