| 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 | 79 | Confident | 88.3 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | 0 | 133 | 0 | -173.3 | 60.6 | 142.7 | 0 | 0 | 109.3 | V254 V265 C278 W294 C315 V317 V331 | M1-V254 HydrophobicContact CB-CG1 4.11Å; M1-V254 HydrophobicContact CB-CG2 4.36Å; M1-V254 HydrophobicContact CG-CG1 4.02Å; M1-V265 HydrophobicContact CB-CG1 4.03Å; M1-V265 HydrophobicContact CG-CG1 4.32Å; M1-C278 PolarHBondContact N-SG 3.13Å; M1-W294 HydrophobicContact CE-CH2 4.07Å; M1-W294 HydrophobicContact CE-CZ3 4.02Å; M1-C315 HydrophobicContact CE-CB 3.47Å; M1-C315 VanDerWaalsContact CE-CB 3.47Å; M1-C315 HydrophobicContact SD-CB 4.5Å; M1-V317 HydrophobicContact SD-CG2 3.67Å; M1-V331 HydrophobicContact CE-CG1 4.04Å; M1-V331 VanDerWaalsContact CE-O 3.26Å; M1-V331 WeakPolarHBondContact CE-O 3.29Å | |||
| 2 | N | 84 | Confident | 88.2 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.2 | 176.4 | -67.3 | -29.1 | 0 | 0 | 0 | 110.3 | C316 | N2-C316 WeakPolarHBondContact CB-O 3.45Å; N2-C316 PolarHBondContact N-O 2.7Å; N2-C316 PolarHBondContact O-N 3.41Å |
| 3 | L | 87.2 | Confident | 88.1 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 115.8 | 173.1 | -64.9 | -178 | 0 | 0 | 0 | 110.4 | I263 V265 K281 W294 L301 F313 C315 | L3-I263 HydrophobicContact CD1-CB 4.42Å; L3-I263 HydrophobicContact CD1-CG2 3.8Å; L3-V265 HydrophobicContact CD1-CG2 3.46Å; L3-V265 VanDerWaalsContact CD1-CG2 3.46Å; L3-V265 HydrophobicContact CG-CG2 4.03Å; L3-K281 HydrophobicContact CD1-CB 4.49Å; L3-W294 HydrophobicContact CD2-CH2 4.49Å; L3-L301 HydrophobicContact CD1-CD2 4.32Å; L3-L301 HydrophobicContact CD2-CD2 4.16Å; L3-F313 HydrophobicContact CB-CD1 4.43Å; L3-F313 HydrophobicContact CD2-CB 4.46Å; L3-C315 HydrophobicContact CD2-CB 4.3Å; L3-C315 WeakPolarHBondContact CD2-SG 3.25Å |
| 4 | I | 88.2 | Confident | 87.7 | Confident | 96 Ų | 96 | 71.1 Ų | 71.1 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.7 | 176.9 | -57.7 | 175.5 | 0 | 0 | 0 | 107.5 | S6 F313 D314 | I4-S6 PolarHBondContact O-N 3.43Å; I4-F313 CarbonylContact O-C 3.51Å; I4-F313 WeakPolarHBondContact O-CA 3.46Å; I4-D314 PolarHBondContact N-O 3.49Å; I4-D314 PolarHBondContact O-N 2.86Å |
| 5 | H | 89.1 | Confident | 87.7 | Confident | 84 Ų | 84 | 76.8 Ų | 76.8 | 39% | 0.389 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 128.1 | 175.7 | 178.3 | -93.5 | 0 | 0 | 0 | 108.7 | T8 D311 F313 | H5-T8 PolarHBondContact NE2-OG1 2.95Å; H5-D311 IonicContact CD2-OD1 3.69Å; H5-D311 IonicContact NE2-OD1 2.69Å; H5-D311 PolarHBondContact NE2-OD1 3.4Å; H5-D311 VanDerWaalsContact NE2-OD1 3.08Å; H5-F313 HydrophobicContact CB-CD1 4.19Å; H5-F313 HydrophobicContact CB-CE1 4.02Å |
| 6 | S | 88.8 | Confident | 87.5 | Confident | 50 Ų | 50 | 80.1 Ų | 80.1 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -56.9 | -176.4 | -166.4 | 0 | 0 | 0 | 0 | 110.3 | I4 L312 D314 | I4-S6 PolarHBondContact O-N 3.43Å; S6-L312 WeakPolarHBondContact CA-O 3.14Å; S6-L312 VanDerWaalsContact CB-O 3.27Å; S6-L312 WeakPolarHBondContact CB-O 3.24Å; S6-L312 PolarHBondContact N-O 2.91Å; S6-D314 VanDerWaalsContact CB-OD2 3.26Å; S6-D314 WeakPolarHBondContact CB-OD2 3.43Å; S6-D314 PolarHBondContact OG-OD2 3.42Å |
| 7 | K | 90.7 | Very high | 87.6 | Confident | 84 Ų | 84 | 75.9 Ų | 75.9 | 37% | 0.365 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 143.8 | -175.9 | -167.5 | 178.9 | -176 | -172.4 | 0 | 111.3 | L9 G47 L312 | K7-L9 HydrophobicContact CD-CD2 4.32Å; K7-G47 PolarHBondContact NZ-O 3.04Å; K7-L312 PolarHBondContact N-O 3.22Å; K7-L312 VanDerWaalsContact O-CB 3.31Å; K7-L312 WeakPolarHBondContact O-CB 3.27Å; K7-L312 PolarHBondContact O-N 3.21Å |
| 8 | T | 91.4 | Very high | 87.7 | Confident | 64 Ų | 64 | 75.2 Ų | 75.2 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 116.2 | 165.9 | -56.4 | 0 | 0 | 0 | 0 | 108.9 | H5 I10 V310 D311 | H5-T8 PolarHBondContact NE2-OG1 2.95Å; T8-I10 WeakPolarHBondContact CG2-O 3.22Å; T8-V310 CarbonylContact C-O 3.59Å; T8-D311 WeakPolarHBondContact CA-OD1 3.35Å; T8-D311 VanDerWaalsContact CB-OD1 3.27Å; T8-D311 WeakPolarHBondContact CB-OD1 3.35Å; T8-D311 WeakPolarHBondContact CG2-OD1 3.41Å; T8-D311 PolarHBondContact OG1-OD1 3.45Å |
| 9 | L | 91.8 | Very high | 88 | Confident | 21 Ų | 21 | 71.3 Ų | 71.3 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -41 | -179 | -59 | -175.9 | 0 | 0 | 0 | 112.1 | K7 I31 F43 V310 L312 | K7-L9 HydrophobicContact CD-CD2 4.32Å; L9-I31 HydrophobicContact CD1-CD1 4.3Å; L9-F43 HydrophobicContact CB-CE1 4.04Å; L9-F43 HydrophobicContact CB-CZ 4.05Å; L9-F43 HydrophobicContact CD1-CD2 4.34Å; L9-F43 HydrophobicContact CD1-CG 4.36Å; L9-F43 HydrophobicContact CD2-CD1 4.38Å; L9-V310 HydrophobicContact CB-CB 4.24Å; L9-V310 HydrophobicContact CB-CG1 4.06Å; L9-V310 HydrophobicContact CD1-CG1 3.98Å; L9-V310 HydrophobicContact CG-CG1 4.34Å; L9-V310 PolarHBondContact N-O 3.41Å; L9-L312 HydrophobicContact CG-CB 4.42Å |
| 10 | I | 91.9 | Very high | 88.2 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 10% | 0.097 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 123.8 | 176 | -54.8 | -179 | 0 | 0 | 0 | 106.7 | T8 V33 T35 I41 F43 G308 G309 V310 | T8-I10 WeakPolarHBondContact CG2-O 3.22Å; I10-V33 HydrophobicContact CD1-CG1 3.95Å; I10-T35 HydrophobicContact CD1-CG2 3.82Å; I10-I41 HydrophobicContact CD1-CD1 3.97Å; I10-F43 HydrophobicContact CD1-CE2 4.47Å; I10-F43 HydrophobicContact CD1-CZ 4.2Å; I10-F43 HydrophobicContact CG1-CZ 3.91Å; I10-G308 WeakPolarHBondContact CG2-O 3.42Å; I10-G309 CarbonylContact O-C 3.57Å; I10-G309 VanDerWaalsContact O-CA 3.27Å; I10-G309 WeakPolarHBondContact O-CA 3.14Å; I10-V310 HydrophobicContact CB-CB 4.06Å; I10-V310 HydrophobicContact CB-CG2 4.11Å; I10-V310 HydrophobicContact CD1-CG2 4.02Å; I10-V310 HydrophobicContact CG1-CB 4.24Å; I10-V310 HydrophobicContact CG1-CG2 4.22Å; I10-V310 PolarHBondContact N-O 3.14Å; I10-V310 PolarHBondContact O-N 3.2Å |
| 11 | P | 89.5 | Confident | 88.4 | Confident | 95 Ų | 95 | 66.7 Ų | 66.7 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 153.1 | 176.5 | 29.1 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 12 | T | 87.3 | Confident | 89.2 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 137.9 | 173.6 | 48.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 13 | Q | 86 | Confident | 89.6 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 29% | 0.29 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 153.5 | 177.3 | -57.2 | -177.9 | 9.8 | 0 | 0 | 110.1 | Y15 A17 C307 | Q13-Y15 HydrophobicContact CB-CD1 4.48Å; Q13-Y15 HydrophobicContact CB-CE1 4.28Å; Q13-Y15 HydrophobicContact CB-CE2 4.45Å; Q13-Y15 PolarHBondContact O-N 2.99Å; Q13-Y15 PolarHBondContact OE1-OH 3.38Å; Q13-A17 HydrophobicContact CB-CB 3.97Å; Q13-A17 VanDerWaalsContact CD-CB 3.46Å; Q13-A17 HydrophobicContact CG-CB 4.06Å; Q13-C307 PolarHBondContact N-O 2.96Å |
| 14 | E | 83.4 | Confident | 89.9 | Confident | 209 Ų | 209 | 62.2 Ų | 62.2 | 98% | 0.977 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -74.4 | -10.8 | 179.4 | -64 | -174.1 | 166 | 0 | 0 | 113.4 | ||
| 15 | Y | 86.9 | Confident | 90 | Very high | 156 Ų | 156 | 57.6 Ų | 57.6 | 61% | 0.612 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -120.5 | 171 | 179.5 | 55.8 | -93.8 | 0 | 0 | 0 | 111.3 | Q13 A17 | Q13-Y15 HydrophobicContact CB-CD1 4.48Å; Q13-Y15 HydrophobicContact CB-CE1 4.28Å; Q13-Y15 HydrophobicContact CB-CE2 4.45Å; Q13-Y15 PolarHBondContact O-N 2.99Å; Q13-Y15 PolarHBondContact OE1-OH 3.38Å; Y15-A17 HydrophobicContact CD2-CB 4.28Å; Y15-A17 HydrophobicContact CE2-CB 4.09Å; Y15-A17 PolarHBondContact O-N 3.32Å; Y15-A17 VanDerWaalsContact O-N 3.12Å |
| 16 | E | 85.2 | Confident | 89.9 | Confident | 130 Ų | 130 | 55.6 Ų | 55.6 | 61% | 0.607 | 29% | 0.286 | S | S | * | . | trans | -62.5 | 112.8 | 176.9 | 179.8 | 178.8 | -176 | 0 | 0 | 110.9 | Y306 | E16-Y306 HydrophobicContact CB-CE1 4.43Å; E16-Y306 VanDerWaalsContact CD-CZ 3.46Å; E16-Y306 HydrophobicContact CG-CE1 3.85Å; E16-Y306 HydrophobicContact CG-CE2 4.1Å; E16-Y306 WeakPolarHBondContact OE1-CE2 3.22Å; E16-Y306 PolarHBondContact OE1-OH 3.32Å; E16-Y306 PolarHBondContact OE2-OH 3.36Å | ||
| 17 | A | 88.2 | Confident | 89.7 | Confident | 8 Ų | 8 | 56 Ų | 56 | 7% | 0.066 | 28% | 0.284 | C | S | . | . | trans | -138.6 | 43.6 | -174 | 0 | 0 | 0 | 0 | 0 | 112 | Q13 Y15 V19 Y306 G308 | Q13-A17 HydrophobicContact CB-CB 3.97Å; Q13-A17 VanDerWaalsContact CD-CB 3.46Å; Q13-A17 HydrophobicContact CG-CB 4.06Å; Y15-A17 HydrophobicContact CD2-CB 4.28Å; Y15-A17 HydrophobicContact CE2-CB 4.09Å; Y15-A17 PolarHBondContact O-N 3.32Å; Y15-A17 VanDerWaalsContact O-N 3.12Å; A17-V19 PolarHBondContact O-N 3.14Å; A17-Y306 CarbonylContact C-O 3.59Å; A17-Y306 VanDerWaalsContact C-O 3.3Å; A17-Y306 PolarHBondContact N-O 3Å; A17-G308 WeakPolarHBondContact O-CA 3.4Å; A17-G308 PolarHBondContact O-N 3.47Å; A17-G308 VanDerWaalsContact O-N 3.16Å | ||
| 18 | K | 90.4 | Very high | 89.5 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | trans | -44.3 | 120.6 | -170.1 | 176.8 | 173.3 | -180 | -174.8 | 0 | 113.5 | Q20 G36 T290 Y306 | K18-Q20 PolarHBondContact O-N 3.41Å; K18-G36 WeakPolarHBondContact O-CA 3.48Å; K18-G36 PolarHBondContact O-N 2.99Å; K18-G36 VanDerWaalsContact O-N 3.15Å; K18-T290 HydrophobicContact CD-CG2 4.28Å; K18-T290 HydrophobicContact CG-CG2 4.01Å; K18-Y306 WeakPolarHBondContact CA-O 3.35Å; K18-Y306 HydrophobicContact CB-CD2 4.03Å; K18-Y306 HydrophobicContact CB-CE2 4.32Å; K18-Y306 HydrophobicContact CD-CD2 4.17Å; K18-Y306 HydrophobicContact CD-CE2 4.33Å; K18-Y306 HydrophobicContact CG-CD2 4.21Å; K18-Y306 PolarHBondContact N-O 3.19Å | ||
| 19 | V | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -69.4 | 116.8 | 167.1 | -177 | 0 | 0 | 0 | 0 | 108.1 | A17 V22 V33 T290 A291 T305 V310 | A17-V19 PolarHBondContact O-N 3.14Å; V19-V22 HydrophobicContact CG1-CG2 3.97Å; V19-V33 HydrophobicContact CG1-CG1 4.11Å; V19-T290 WeakPolarHBondContact O-CB 3.18Å; V19-T290 PolarHBondContact O-OG1 2.91Å; V19-A291 HydrophobicContact CG1-CB 4.36Å; V19-T305 WeakPolarHBondContact CG2-O 3.39Å; V19-T305 PolarHBondContact N-O 3.18Å; V19-T305 VanDerWaalsContact N-O 3.13Å; V19-V310 HydrophobicContact CG1-CG2 4.27Å; V19-V310 HydrophobicContact CG2-CG2 3.73Å | ||
| 20 | Q | 91.8 | Very high | 89.2 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | trans | -81.5 | -38 | -170.9 | -64.8 | -64.9 | -4.7 | 0 | 0 | 112.5 | K18 C34 V69 | K18-Q20 PolarHBondContact O-N 3.41Å; Q20-C34 HydrophobicContact CB-CB 4.46Å; Q20-C34 PolarHBondContact N-O 2.89Å; Q20-V69 HydrophobicContact CB-CB 4.37Å; Q20-V69 WeakPolarHBondContact CB-O 3.31Å | ||
| 21 | S | 93.3 | Very high | 89.3 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 153.4 | -179.2 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | C34 M72 | S21-C34 PolarHBondContact O-N 3.49Å; S21-M72 VanDerWaalsContact O-CE 3.26Å; S21-M72 WeakPolarHBondContact O-CE 3.48Å; S21-M72 PolarHBondContact OG-N 2.85Å; S21-M72 VanDerWaalsContact OG-N 3.1Å |
| 22 | V | 94.7 | Very high | 89.6 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139.2 | 172.9 | 176.1 | 0 | 0 | 0 | 0 | 107.8 | V19 I31 A32 V33 A291 V302 | V19-V22 HydrophobicContact CG1-CG2 3.97Å; V22-I31 HydrophobicContact CG1-CG2 4.25Å; V22-A32 CarbonylContact C-O 3.35Å; V22-A32 VanDerWaalsContact CA-O 3.3Å; V22-A32 WeakPolarHBondContact CA-O 3.5Å; V22-V33 HydrophobicContact CG1-CG2 4.47Å; V22-V33 HydrophobicContact CG2-CG1 4.45Å; V22-V33 HydrophobicContact CG2-CG2 4.3Å; V22-A291 HydrophobicContact CB-CB 4.23Å; V22-A291 HydrophobicContact CG2-CB 3.85Å; V22-V302 HydrophobicContact CG1-CB 3.91Å; V22-V302 HydrophobicContact CG1-CG1 3.63Å; V22-V302 HydrophobicContact CG2-CG1 4.33Å |
| 23 | A | 93.2 | Very high | 90 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 141.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A32 M72 F74 | A23-A32 PolarHBondContact N-O 3.24Å; A23-A32 PolarHBondContact O-N 3.03Å; A23-M72 HydrophobicContact CB-CB 4.24Å; A23-F74 HydrophobicContact CB-CD2 3.88Å; A23-F74 HydrophobicContact CB-CE2 4.12Å; A23-F74 WeakPolarHBondContact O-CE2 3.39Å |
| 24 | W | 93.1 | Very high | 90.4 | Very high | 13 Ų | 13 | 43 Ų | 43 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 143.4 | 170 | -83.9 | 91.6 | 0 | 0 | 0 | 110.7 | I31 F74 G293 W294 K295 K300 V302 L312 | W24-I31 HydrophobicContact CD2-CG1 3.84Å; W24-I31 HydrophobicContact CE3-CD1 4.44Å; W24-I31 HydrophobicContact CE3-CG1 3.65Å; W24-I31 HydrophobicContact CH2-CD1 3.24Å; W24-I31 HydrophobicContact CH2-CG1 3.37Å; W24-I31 HydrophobicContact CZ2-CD1 3.3Å; W24-I31 HydrophobicContact CZ2-CG1 3.55Å; W24-I31 HydrophobicContact CZ3-CD1 3.85Å; W24-I31 HydrophobicContact CZ3-CG1 3.41Å; W24-I31 VanDerWaalsContact CZ3-CG1 3.41Å; W24-F74 VanDerWaalsContact C-CD2 3.48Å; W24-F74 WeakPolarHBondContact O-CD2 3.49Å; W24-G293 PolarHBondContact NE1-O 3.3Å; W24-W294 WeakPolarHBondContact CB-O 3.48Å; W24-W294 VanDerWaalsContact CD1-C 3.41Å; W24-W294 VanDerWaalsContact CD1-O 3.27Å; W24-K295 HydrophobicContact CD2-CB 3.87Å; W24-K295 HydrophobicContact CD2-CG 4.02Å; W24-K295 HydrophobicContact CE3-CB 4.12Å; W24-K295 HydrophobicContact CE3-CD 4.24Å; W24-K295 HydrophobicContact CE3-CG 3.72Å; W24-K295 HydrophobicContact CG-CB 4.34Å; W24-K295 HydrophobicContact CH2-CB 4.3Å; W24-K295 HydrophobicContact CH2-CD 3.78Å; W24-K295 HydrophobicContact CH2-CG 4.07Å; W24-K295 HydrophobicContact CZ2-CB 4.08Å; W24-K295 HydrophobicContact CZ2-CD 4.34Å; W24-K295 HydrophobicContact CZ2-CG 4.35Å; W24-K295 HydrophobicContact CZ3-CB 4.32Å; W24-K295 HydrophobicContact CZ3-CD 3.72Å; W24-K295 HydrophobicContact CZ3-CG 3.75Å; W24-K300 HydrophobicContact CH2-CD 4.44Å; W24-K300 HydrophobicContact CZ2-CB 4.25Å; W24-V302 HydrophobicContact CZ2-CG2 3.72Å; W24-L312 HydrophobicContact CZ2-CD1 3.89Å |
| 25 | S | 91 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -73.4 | 143.5 | 172.5 | 67.2 | 0 | 0 | 0 | 0 | 111.5 | N27 N28 K29 K30 | S25-N27 WeakPolarHBondContact CB-OD1 3.5Å; S25-N27 PolarHBondContact O-N 3.39Å; S25-N27 PolarHBondContact OG-OD1 3.1Å; S25-N28 PolarHBondContact O-N 2.99Å; S25-K29 PolarHBondContact OG-N 3.4Å; S25-K30 PolarHBondContact N-O 2.98Å; S25-K30 PolarHBondContact OG-N 3.42Å; S25-K30 PolarHBondContact OG-O 3.39Å | ||
| 26 | P | 86.6 | Confident | 90.6 | Very high | 42 Ų | 42 | 27.8 Ų | 27.8 | 27% | 0.273 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31 | 178.6 | -33 | 38.6 | 0 | 0 | 0 | 116.1 | N28 F74 S75 H76 S78 | P26-N28 PolarHBondContact O-N 3.12Å; P26-F74 HydrophobicContact CG-CB 4.46Å; P26-S75 WeakPolarHBondContact CD-O 3.26Å; P26-S75 WeakPolarHBondContact CG-O 3.29Å; P26-H76 WeakPolarHBondContact CB-O 3.48Å; P26-S78 VanDerWaalsContact CD-OG 3.27Å; P26-S78 WeakPolarHBondContact CD-OG 3.21Å |
| 27 | N | 84.2 | Confident | 90.6 | Very high | 57 Ų | 57 | 26.3 Ų | 26.3 | 31% | 0.305 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 7.8 | 175.6 | 71.6 | -0.7 | 0 | 0 | 0 | 114.2 | S25 K29 S78 | S25-N27 WeakPolarHBondContact CB-OD1 3.5Å; S25-N27 PolarHBondContact O-N 3.39Å; S25-N27 PolarHBondContact OG-OD1 3.1Å; N27-K29 PolarHBondContact O-N 3.46Å; N27-K29 VanDerWaalsContact O-N 3.07Å; N27-K29 PolarHBondContact OD1-N 2.97Å; N27-K29 VanDerWaalsContact OD1-N 3.16Å; N27-S78 WeakPolarHBondContact CB-OG 3.25Å; N27-S78 VanDerWaalsContact CG-OG 3.27Å; N27-S78 PolarHBondContact N-OG 3.02Å; N27-S78 WeakPolarHBondContact ND2-CB 3.31Å; N27-S78 PolarHBondContact OD1-OG 2.7Å |
| 28 | N | 85.8 | Confident | 90.6 | Very high | 29 Ų | 29 | 30.1 Ų | 30.1 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 65.3 | 2.4 | 178.1 | -72.9 | -35.9 | 0 | 0 | 0 | 117.1 | S25 P26 E45 K295 Q296 D297 | S25-N28 PolarHBondContact O-N 2.99Å; P26-N28 PolarHBondContact O-N 3.12Å; N28-E45 WeakPolarHBondContact O-CB 3.38Å; N28-K295 VanDerWaalsContact CB-CE 3.46Å; N28-K295 HydrophobicContact CB-CG 4.37Å; N28-K295 WeakPolarHBondContact OD1-CG 3.46Å; N28-Q296 WeakPolarHBondContact OD1-CA 3.27Å; N28-Q296 WeakPolarHBondContact OD1-CB 3.39Å; N28-Q296 PolarHBondContact OD1-N 3.37Å; N28-D297 PolarHBondContact OD1-N 3.38Å |
| 29 | K | 86.9 | Confident | 90.6 | Very high | 121 Ų | 121 | 28.9 Ų | 28.9 | 53% | 0.526 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -91.2 | -23.4 | -173 | -67.5 | -178.8 | -178.7 | -179.5 | 0 | 115.2 | S25 N27 D44 E45 | S25-K29 PolarHBondContact OG-N 3.4Å; N27-K29 PolarHBondContact O-N 3.46Å; N27-K29 VanDerWaalsContact O-N 3.07Å; N27-K29 PolarHBondContact OD1-N 2.97Å; N27-K29 VanDerWaalsContact OD1-N 3.16Å; K29-D44 CarbonylContact O-C 3.49Å; K29-D44 VanDerWaalsContact O-CA 3.29Å; K29-D44 WeakPolarHBondContact O-CA 3.33Å; K29-E45 PolarHBondContact O-N 2.9Å |
| 30 | K | 91.2 | Very high | 90.6 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.017 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 138.9 | -171.2 | -52.1 | -174.6 | 178.6 | 176.4 | 0 | 111 | S25 I42 F43 F74 G96 E97 W99 | S25-K30 PolarHBondContact N-O 2.98Å; S25-K30 PolarHBondContact OG-N 3.42Å; S25-K30 PolarHBondContact OG-O 3.39Å; K30-I42 HydrophobicContact CB-CG2 4.01Å; K30-F43 CarbonylContact C-O 3.59Å; K30-F43 WeakPolarHBondContact CA-O 3.19Å; K30-F74 HydrophobicContact CB-CE1 4.36Å; K30-F74 HydrophobicContact CB-CZ 4.14Å; K30-G96 PolarHBondContact NZ-O 3.41Å; K30-E97 PolarHBondContact NZ-O 3.23Å; K30-W99 HydrophobicContact CB-CH2 4.25Å; K30-W99 HydrophobicContact CD-CH2 4.05Å; K30-W99 HydrophobicContact CD-CZ2 4.43Å; K30-W99 HydrophobicContact CD-CZ3 4.29Å; K30-W99 HydrophobicContact CG-CH2 3.65Å; K30-W99 HydrophobicContact CG-CZ2 3.88Å; K30-W99 HydrophobicContact CG-CZ3 4.37Å |
| 31 | I | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.2 | 172.7 | -44 | 172.6 | 0 | 0 | 0 | 107.4 | L9 V22 W24 V33 I42 F43 D44 V302 | L9-I31 HydrophobicContact CD1-CD1 4.3Å; V22-I31 HydrophobicContact CG1-CG2 4.25Å; W24-I31 HydrophobicContact CD2-CG1 3.84Å; W24-I31 HydrophobicContact CE3-CD1 4.44Å; W24-I31 HydrophobicContact CE3-CG1 3.65Å; W24-I31 HydrophobicContact CH2-CD1 3.24Å; W24-I31 HydrophobicContact CH2-CG1 3.37Å; W24-I31 HydrophobicContact CZ2-CD1 3.3Å; W24-I31 HydrophobicContact CZ2-CG1 3.55Å; W24-I31 HydrophobicContact CZ3-CD1 3.85Å; W24-I31 HydrophobicContact CZ3-CG1 3.41Å; W24-I31 VanDerWaalsContact CZ3-CG1 3.41Å; I31-V33 HydrophobicContact CG2-CG2 4.23Å; I31-I42 CarbonylContact O-C 3.54Å; I31-I42 VanDerWaalsContact O-CA 3.23Å; I31-I42 WeakPolarHBondContact O-CA 3.42Å; I31-F43 HydrophobicContact CB-CB 4.16Å; I31-F43 HydrophobicContact CD1-CB 4.29Å; I31-F43 HydrophobicContact CG1-CB 4.47Å; I31-F43 PolarHBondContact N-O 3.13Å; I31-F43 PolarHBondContact O-N 2.8Å; I31-D44 WeakPolarHBondContact CD1-O 3.49Å; I31-V302 HydrophobicContact CD1-CG2 4.37Å; I31-V302 HydrophobicContact CG2-CG2 4.19Å |
| 32 | A | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | V22 A23 V40 M72 F74 L81 | V22-A32 CarbonylContact C-O 3.35Å; V22-A32 VanDerWaalsContact CA-O 3.3Å; V22-A32 WeakPolarHBondContact CA-O 3.5Å; A23-A32 PolarHBondContact N-O 3.24Å; A23-A32 PolarHBondContact O-N 3.03Å; A32-V40 HydrophobicContact CB-CG1 4.35Å; A32-M72 HydrophobicContact CB-CE 4.04Å; A32-M72 HydrophobicContact CB-SD 4.41Å; A32-M72 WeakPolarHBondContact O-CE 3.34Å; A32-F74 HydrophobicContact CB-CE2 3.59Å; A32-F74 HydrophobicContact CB-CZ 3.79Å; A32-L81 HydrophobicContact CB-CD1 4.14Å; A32-L81 HydrophobicContact CB-CD2 3.86Å |
| 33 | V | 95.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127 | 177.5 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | I10 V19 V22 I31 V40 I41 F43 V310 | I10-V33 HydrophobicContact CD1-CG1 3.95Å; V19-V33 HydrophobicContact CG1-CG1 4.11Å; V22-V33 HydrophobicContact CG1-CG2 4.47Å; V22-V33 HydrophobicContact CG2-CG1 4.45Å; V22-V33 HydrophobicContact CG2-CG2 4.3Å; I31-V33 HydrophobicContact CG2-CG2 4.23Å; V33-V40 CarbonylContact O-C 3.55Å; V33-V40 WeakPolarHBondContact O-CA 3.23Å; V33-I41 PolarHBondContact N-O 3.03Å; V33-I41 PolarHBondContact O-N 3.45Å; V33-F43 HydrophobicContact CB-CE2 4.05Å; V33-F43 HydrophobicContact CG2-CD2 3.94Å; V33-F43 HydrophobicContact CG2-CE2 3.74Å; V33-V310 HydrophobicContact CG1-CG2 3.81Å; V33-V310 HydrophobicContact CG2-CG1 4.34Å |
| 34 | C | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 115.9 | 174.7 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | Q20 S21 M39 V69 M72 | Q20-C34 HydrophobicContact CB-CB 4.46Å; Q20-C34 PolarHBondContact N-O 2.89Å; S21-C34 PolarHBondContact O-N 3.49Å; C34-M39 WeakPolarHBondContact CA-O 3.3Å; C34-V69 HydrophobicContact CB-CG1 4.45Å; C34-M72 HydrophobicContact CB-CE 3.64Å; C34-M72 HydrophobicContact CB-SD 3.77Å |
| 35 | T | 91.2 | Very high | 90.3 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 7% | 0.074 | 16% | 0.158 | C | C | . | . | trans | -83.9 | 164.7 | 179.5 | 43 | 0 | 0 | 0 | 0 | 111.6 | I10 D37 R38 M39 I41 | I10-T35 HydrophobicContact CD1-CG2 3.82Å; T35-D37 WeakPolarHBondContact CB-OD1 3.31Å; T35-D37 PolarHBondContact O-N 3.24Å; T35-D37 PolarHBondContact OG1-OD1 2.84Å; T35-R38 PolarHBondContact O-N 2.77Å; T35-M39 PolarHBondContact N-O 3.3Å; T35-M39 PolarHBondContact OG1-O 3.45Å; T35-M39 VanDerWaalsContact OG1-O 3.12Å; T35-I41 HydrophobicContact CG2-CD1 4.18Å | ||
| 36 | G | 83.9 | Confident | 90 | Very high | 34 Ų | 34 | 35 Ų | 35 | 35% | 0.351 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K18 R38 | K18-G36 WeakPolarHBondContact O-CA 3.48Å; K18-G36 PolarHBondContact O-N 2.99Å; K18-G36 VanDerWaalsContact O-N 3.15Å; G36-R38 PolarHBondContact O-N 3.46Å |
| 37 | D | 85.6 | Confident | 89.9 | Confident | 100 Ų | 100 | 33.2 Ų | 33.2 | 54% | 0.535 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 4.9 | 173.3 | 66.5 | -13.5 | 0 | 0 | 0 | 113.8 | T35 M39 | T35-D37 WeakPolarHBondContact CB-OD1 3.31Å; T35-D37 PolarHBondContact O-N 3.24Å; T35-D37 PolarHBondContact OG1-OD1 2.84Å; D37-M39 PolarHBondContact O-N 2.89Å; D37-M39 WeakPolarHBondContact OD1-CB 3.41Å; D37-M39 PolarHBondContact OD1-N 2.65Å; D37-M39 VanDerWaalsContact OD2-CG 3.26Å; D37-M39 WeakPolarHBondContact OD2-CG 3.04Å |
| 38 | R | 87.4 | Confident | 90.1 | Very high | 88 Ų | 88 | 35.2 Ų | 35.2 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 68.4 | 20.8 | 178.9 | -44.9 | 167.2 | -71.5 | -158.5 | -2.4 | 113.8 | T35 G36 T55 F67 | T35-R38 PolarHBondContact O-N 2.77Å; G36-R38 PolarHBondContact O-N 3.46Å; R38-T55 VanDerWaalsContact CB-OG1 3.31Å; R38-T55 WeakPolarHBondContact CB-OG1 3.18Å; R38-T55 PolarHBondContact O-N 3.08Å; R38-T55 PolarHBondContact O-OG1 3.35Å; R38-F67 WeakPolarHBondContact CD-O 3.44Å |
| 39 | M | 91.2 | Very high | 90.4 | Very high | 38 Ų | 38 | 40 Ų | 40 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 138.6 | 168.3 | -66.5 | -64.5 | -64 | 0 | 0 | 110.3 | C34 T35 D37 R52 S54 | C34-M39 WeakPolarHBondContact CA-O 3.3Å; T35-M39 PolarHBondContact N-O 3.3Å; T35-M39 PolarHBondContact OG1-O 3.45Å; T35-M39 VanDerWaalsContact OG1-O 3.12Å; D37-M39 PolarHBondContact O-N 2.89Å; D37-M39 WeakPolarHBondContact OD1-CB 3.41Å; D37-M39 PolarHBondContact OD1-N 2.65Å; D37-M39 VanDerWaalsContact OD2-CG 3.26Å; D37-M39 WeakPolarHBondContact OD2-CG 3.04Å; M39-R52 HydrophobicContact CE-CB 4.34Å; M39-R52 HydrophobicContact CE-CG 4.31Å; M39-S54 WeakPolarHBondContact SD-CA 3.19Å; M39-S54 WeakPolarHBondContact SD-CB 3.48Å |
| 40 | V | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.3 | 171.4 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | A32 V33 R52 F53 T55 M72 L81 I83 | A32-V40 HydrophobicContact CB-CG1 4.35Å; V33-V40 CarbonylContact O-C 3.55Å; V33-V40 WeakPolarHBondContact O-CA 3.23Å; V40-R52 CarbonylContact O-C 3.53Å; V40-R52 WeakPolarHBondContact O-CA 3.27Å; V40-F53 HydrophobicContact CB-CD1 4.35Å; V40-F53 HydrophobicContact CB-CD2 4.25Å; V40-F53 HydrophobicContact CB-CE1 3.91Å; V40-F53 HydrophobicContact CB-CE2 3.8Å; V40-F53 HydrophobicContact CB-CZ 3.62Å; V40-F53 HydrophobicContact CG1-CE1 3.81Å; V40-F53 HydrophobicContact CG1-CE2 4.28Å; V40-F53 HydrophobicContact CG1-CZ 3.6Å; V40-F53 HydrophobicContact CG2-CE2 3.92Å; V40-F53 HydrophobicContact CG2-CZ 4.08Å; V40-F53 PolarHBondContact N-O 3.33Å; V40-F53 PolarHBondContact O-N 2.87Å; V40-T55 HydrophobicContact CG2-CG2 3.83Å; V40-M72 HydrophobicContact CG1-SD 4.08Å; V40-M72 HydrophobicContact CG2-SD 4.13Å; V40-L81 HydrophobicContact CG1-CD2 4.04Å; V40-I83 HydrophobicContact CG2-CD1 3.67Å |
| 41 | I | 94.5 | Very high | 90.5 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.7 | 177.3 | -54.6 | 176.5 | 0 | 0 | 0 | 107.5 | I10 V33 T35 F43 R49 R52 | I10-I41 HydrophobicContact CD1-CD1 3.97Å; V33-I41 PolarHBondContact N-O 3.03Å; V33-I41 PolarHBondContact O-N 3.45Å; T35-I41 HydrophobicContact CG2-CD1 4.18Å; I41-F43 HydrophobicContact CB-CE2 3.96Å; I41-F43 HydrophobicContact CB-CZ 4.38Å; I41-F43 HydrophobicContact CG2-CD2 4.11Å; I41-F43 HydrophobicContact CG2-CE1 4.28Å; I41-F43 HydrophobicContact CG2-CE2 3.48Å; I41-F43 VanDerWaalsContact CG2-CE2 3.48Å; I41-F43 HydrophobicContact CG2-CZ 3.59Å; I41-R49 HydrophobicContact CG2-CG 3.72Å; I41-R52 HydrophobicContact CG1-CB 4.25Å |
| 42 | I | 94.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 122 | 175.4 | -53.3 | -173.4 | 0 | 0 | 0 | 109.5 | K30 I31 R50 T51 F53 L95 W99 | K30-I42 HydrophobicContact CB-CG2 4.01Å; I31-I42 CarbonylContact O-C 3.54Å; I31-I42 VanDerWaalsContact O-CA 3.23Å; I31-I42 WeakPolarHBondContact O-CA 3.42Å; I42-R50 PolarHBondContact O-N 3.47Å; I42-T51 HydrophobicContact CB-CG2 3.66Å; I42-T51 HydrophobicContact CD1-CG2 3.85Å; I42-T51 HydrophobicContact CG1-CG2 3.94Å; I42-T51 HydrophobicContact CG2-CG2 4.47Å; I42-T51 PolarHBondContact N-O 3.15Å; I42-T51 PolarHBondContact O-N 3.16Å; I42-F53 HydrophobicContact CD1-CE1 4Å; I42-F53 HydrophobicContact CG1-CE1 4.32Å; I42-L95 HydrophobicContact CD1-CD1 3.5Å; I42-L95 HydrophobicContact CD1-CD2 3.49Å; I42-L95 VanDerWaalsContact CD1-CD2 3.49Å; I42-L95 HydrophobicContact CD1-CG 4.07Å; I42-W99 HydrophobicContact CB-CZ3 4.36Å; I42-W99 HydrophobicContact CG2-CH2 3.72Å; I42-W99 HydrophobicContact CG2-CZ3 3.6Å |
| 43 | F | 93.9 | Very high | 90.2 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 158 | 171.7 | -55.9 | -97.6 | 0 | 0 | 0 | 110.5 | L9 I10 K30 I31 V33 I41 E48 R49 | L9-F43 HydrophobicContact CB-CE1 4.04Å; L9-F43 HydrophobicContact CB-CZ 4.05Å; L9-F43 HydrophobicContact CD1-CD2 4.34Å; L9-F43 HydrophobicContact CD1-CG 4.36Å; L9-F43 HydrophobicContact CD2-CD1 4.38Å; I10-F43 HydrophobicContact CD1-CE2 4.47Å; I10-F43 HydrophobicContact CD1-CZ 4.2Å; I10-F43 HydrophobicContact CG1-CZ 3.91Å; K30-F43 CarbonylContact C-O 3.59Å; K30-F43 WeakPolarHBondContact CA-O 3.19Å; I31-F43 HydrophobicContact CB-CB 4.16Å; I31-F43 HydrophobicContact CD1-CB 4.29Å; I31-F43 HydrophobicContact CG1-CB 4.47Å; I31-F43 PolarHBondContact N-O 3.13Å; I31-F43 PolarHBondContact O-N 2.8Å; V33-F43 HydrophobicContact CB-CE2 4.05Å; V33-F43 HydrophobicContact CG2-CD2 3.94Å; V33-F43 HydrophobicContact CG2-CE2 3.74Å; I41-F43 HydrophobicContact CB-CE2 3.96Å; I41-F43 HydrophobicContact CB-CZ 4.38Å; I41-F43 HydrophobicContact CG2-CD2 4.11Å; I41-F43 HydrophobicContact CG2-CE1 4.28Å; I41-F43 HydrophobicContact CG2-CE2 3.48Å; I41-F43 VanDerWaalsContact CG2-CE2 3.48Å; I41-F43 HydrophobicContact CG2-CZ 3.59Å; F43-E48 CarbonylContact C-O 3.58Å; F43-E48 WeakPolarHBondContact CA-O 3.44Å; F43-R49 HydrophobicContact CD1-CB 3.92Å; F43-R49 HydrophobicContact CE1-CB 3.84Å |
| 44 | D | 90.8 | Very high | 89.9 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.059 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 179.9 | 163.8 | 66.7 | 21.3 | 0 | 0 | 0 | 112.3 | K29 I31 N46 G47 E48 R50 W99 | K29-D44 CarbonylContact O-C 3.49Å; K29-D44 VanDerWaalsContact O-CA 3.29Å; K29-D44 WeakPolarHBondContact O-CA 3.33Å; I31-D44 WeakPolarHBondContact CD1-O 3.49Å; D44-N46 PolarHBondContact O-N 3.38Å; D44-N46 WeakPolarHBondContact OD1-CA 3Å; D44-N46 PolarHBondContact OD1-N 2.98Å; D44-G47 PolarHBondContact O-N 3.26Å; D44-G47 PolarHBondContact OD1-N 3.11Å; D44-E48 PolarHBondContact N-O 2.85Å; D44-E48 PolarHBondContact OD1-N 3.25Å; D44-E48 WeakPolarHBondContact OD2-CB 3.42Å; D44-R50 HydrophobicContact CB-CG 4.08Å; D44-R50 IonicContact OD2-CZ 3.04Å; D44-R50 VanDerWaalsContact OD2-CZ 3.24Å; D44-R50 IonicContact OD2-NE 3.77Å; D44-R50 PolarHBondContact OD2-NE 2.78Å; D44-R50 IonicContact OD2-NH2 2.76Å; D44-R50 PolarHBondContact OD2-NH2 3.01Å; D44-W99 HydrophobicContact CB-CH2 4.48Å; D44-W99 HydrophobicContact CB-CZ2 3.96Å |
| 45 | E | 85.3 | Confident | 89.6 | Confident | 79 Ų | 79 | 54.6 Ų | 54.6 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.5 | 180 | 66.7 | 176.5 | 167.5 | 0 | 0 | 115.2 | N28 K29 G47 K295 K300 | N28-E45 WeakPolarHBondContact O-CB 3.38Å; K29-E45 PolarHBondContact O-N 2.9Å; E45-G47 VanDerWaalsContact C-N 3.34Å; E45-K295 IonicContact OE2-NZ 3.3Å; E45-K300 PolarHBondContact O-NZ 2.85Å |
| 46 | N | 84.5 | Confident | 89.3 | Confident | 94 Ų | 94 | 60.3 Ų | 60.3 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -0.7 | 178.1 | -64.2 | -34.9 | 0 | 0 | 0 | 111.8 | D44 | D44-N46 PolarHBondContact O-N 3.38Å; D44-N46 WeakPolarHBondContact OD1-CA 3Å; D44-N46 PolarHBondContact OD1-N 2.98Å |
| 47 | G | 84.8 | Confident | 89.3 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 75 | 27 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | K7 D44 E45 | K7-G47 PolarHBondContact NZ-O 3.04Å; D44-G47 PolarHBondContact O-N 3.26Å; D44-G47 PolarHBondContact OD1-N 3.11Å; E45-G47 VanDerWaalsContact C-N 3.34Å |
| 48 | E | 89.5 | Confident | 89 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | trans | -88.5 | 135 | 167.2 | -52.8 | -170.1 | 148.9 | 0 | 0 | 109.9 | F43 D44 R50 | F43-E48 CarbonylContact C-O 3.58Å; F43-E48 WeakPolarHBondContact CA-O 3.44Å; D44-E48 PolarHBondContact N-O 2.85Å; D44-E48 PolarHBondContact OD1-N 3.25Å; D44-E48 WeakPolarHBondContact OD2-CB 3.42Å; E48-R50 PolarHBondContact O-N 2.75Å; E48-R50 IonicContact OE2-CZ 3.06Å; E48-R50 IonicContact OE2-NH2 3.39Å; E48-R50 PolarHBondContact OE2-NH2 3.39Å | ||
| 49 | R | 90.5 | Very high | 88.3 | Confident | 129 Ų | 129 | 58 Ų | 58 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 121.3 | -179.7 | 176.1 | 173.7 | 161.5 | -159.9 | -17.5 | 110 | I41 F43 R52 | I41-R49 HydrophobicContact CG2-CG 3.72Å; F43-R49 HydrophobicContact CD1-CB 3.92Å; F43-R49 HydrophobicContact CE1-CB 3.84Å; R49-R52 VanDerWaalsContact NH2-CZ 3.28Å |
| 50 | R | 90.1 | Very high | 87.2 | Confident | 126 Ų | 126 | 60.6 Ų | 60.6 | 48% | 0.475 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -46.7 | -177.6 | -64.3 | -73.7 | 178.9 | -173.2 | -9.9 | 112.8 | I42 D44 E48 W99 | I42-R50 PolarHBondContact O-N 3.47Å; D44-R50 HydrophobicContact CB-CG 4.08Å; D44-R50 IonicContact OD2-CZ 3.04Å; D44-R50 VanDerWaalsContact OD2-CZ 3.24Å; D44-R50 IonicContact OD2-NE 3.77Å; D44-R50 PolarHBondContact OD2-NE 2.78Å; D44-R50 IonicContact OD2-NH2 2.76Å; D44-R50 PolarHBondContact OD2-NH2 3.01Å; E48-R50 PolarHBondContact O-N 2.75Å; E48-R50 IonicContact OE2-CZ 3.06Å; E48-R50 IonicContact OE2-NH2 3.39Å; E48-R50 PolarHBondContact OE2-NH2 3.39Å; R50-W99 HydrophobicContact CB-CD2 3.95Å; R50-W99 HydrophobicContact CB-CE3 3.37Å; R50-W99 HydrophobicContact CB-CH2 3.68Å; R50-W99 HydrophobicContact CB-CZ2 4.23Å; R50-W99 HydrophobicContact CB-CZ3 3.23Å; R50-W99 HydrophobicContact CG-CD2 3.98Å; R50-W99 HydrophobicContact CG-CE3 3.88Å; R50-W99 HydrophobicContact CG-CH2 3.59Å; R50-W99 HydrophobicContact CG-CZ2 3.71Å; R50-W99 HydrophobicContact CG-CZ3 3.69Å |
| 51 | T | 90.2 | Very high | 85.8 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 29% | 0.288 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 159.8 | -179.8 | -175 | 0 | 0 | 0 | 0 | 112.2 | I42 W99 | I42-T51 HydrophobicContact CB-CG2 3.66Å; I42-T51 HydrophobicContact CD1-CG2 3.85Å; I42-T51 HydrophobicContact CG1-CG2 3.94Å; I42-T51 HydrophobicContact CG2-CG2 4.47Å; I42-T51 PolarHBondContact N-O 3.15Å; I42-T51 PolarHBondContact O-N 3.16Å; T51-W99 HydrophobicContact CG2-CZ3 4.41Å |
| 52 | R | 91.1 | Very high | 84.1 | Confident | 153 Ų | 153 | 72.1 Ų | 72.1 | 58% | 0.577 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 146.9 | 170.6 | 63.7 | 158.7 | 177.4 | -159.4 | 3.7 | 111.1 | M39 V40 I41 R49 | M39-R52 HydrophobicContact CE-CB 4.34Å; M39-R52 HydrophobicContact CE-CG 4.31Å; V40-R52 CarbonylContact O-C 3.53Å; V40-R52 WeakPolarHBondContact O-CA 3.27Å; I41-R52 HydrophobicContact CG1-CB 4.25Å; R49-R52 VanDerWaalsContact NH2-CZ 3.28Å |
| 53 | F | 92.3 | Very high | 82.2 | Confident | 25 Ų | 25 | 79.3 Ų | 79.3 | 11% | 0.11 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 154.3 | 173.8 | 59.5 | -87 | 0 | 0 | 0 | 111.5 | V40 I42 L81 I83 Y93 L95 V103 | V40-F53 HydrophobicContact CB-CD1 4.35Å; V40-F53 HydrophobicContact CB-CD2 4.25Å; V40-F53 HydrophobicContact CB-CE1 3.91Å; V40-F53 HydrophobicContact CB-CE2 3.8Å; V40-F53 HydrophobicContact CB-CZ 3.62Å; V40-F53 HydrophobicContact CG1-CE1 3.81Å; V40-F53 HydrophobicContact CG1-CE2 4.28Å; V40-F53 HydrophobicContact CG1-CZ 3.6Å; V40-F53 HydrophobicContact CG2-CE2 3.92Å; V40-F53 HydrophobicContact CG2-CZ 4.08Å; V40-F53 PolarHBondContact N-O 3.33Å; V40-F53 PolarHBondContact O-N 2.87Å; I42-F53 HydrophobicContact CD1-CE1 4Å; I42-F53 HydrophobicContact CG1-CE1 4.32Å; F53-L81 HydrophobicContact CZ-CD2 4.23Å; F53-I83 HydrophobicContact CE2-CD1 4.03Å; F53-I83 HydrophobicContact CZ-CD1 4.3Å; F53-Y93 HydrophobicContact CD2-CD1 4.05Å; F53-Y93 AromaticContact CD2-CE1 3.82Å; F53-Y93 HydrophobicContact CD2-CE1 3.82Å; F53-Y93 AromaticContact CE2-CD1 3.64Å; F53-Y93 HydrophobicContact CE2-CD1 3.64Å; F53-Y93 HydrophobicContact CE2-CD2 4.16Å; F53-Y93 AromaticContact CE2-CE1 3.66Å; F53-Y93 HydrophobicContact CE2-CE1 3.66Å; F53-Y93 HydrophobicContact CE2-CE2 4.21Å; F53-Y93 AromaticContact CE2-CG 3.88Å; F53-Y93 HydrophobicContact CE2-CG 3.88Å; F53-Y93 AromaticContact CE2-CZ 3.96Å; F53-Y93 HydrophobicContact CZ-CD1 4.27Å; F53-Y93 HydrophobicContact CZ-CG 4.23Å; F53-L95 HydrophobicContact CE1-CD2 3.95Å; F53-L95 HydrophobicContact CZ-CD2 4.33Å; F53-V103 HydrophobicContact CD1-CG1 3.92Å; F53-V103 HydrophobicContact CD1-CG2 4.3Å; F53-V103 HydrophobicContact CD2-CG1 4.38Å; F53-V103 HydrophobicContact CE1-CG1 4.03Å; F53-V103 HydrophobicContact CE2-CG1 4.48Å; F53-V103 HydrophobicContact CG-CG1 4.09Å; F53-V103 HydrophobicContact CZ-CG1 4.3Å |
| 54 | S | 89.2 | Confident | 80.3 | Confident | 70 Ų | 70 | 82 Ų | 82 | 49% | 0.49 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 143.7 | 175.6 | -170.2 | 0 | 0 | 0 | 0 | 111 | M39 | M39-S54 WeakPolarHBondContact SD-CA 3.19Å; M39-S54 WeakPolarHBondContact SD-CB 3.48Å |
| 55 | T | 87.7 | Confident | 78.6 | Confident | 10 Ų | 10 | 86.8 Ų | 86.8 | 6% | 0.061 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -77 | 142.5 | 172.3 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | R38 V40 F67 V69 I83 | R38-T55 VanDerWaalsContact CB-OG1 3.31Å; R38-T55 WeakPolarHBondContact CB-OG1 3.18Å; R38-T55 PolarHBondContact O-N 3.08Å; R38-T55 PolarHBondContact O-OG1 3.35Å; V40-T55 HydrophobicContact CG2-CG2 3.83Å; T55-F67 WeakPolarHBondContact OG1-CZ 3.29Å; T55-V69 HydrophobicContact CG2-CG2 4.15Å; T55-I83 HydrophobicContact CG2-CD1 4.04Å; T55-I83 HydrophobicContact CG2-CG2 4.23Å |
| 56 | K | 85 | Confident | 77.9 | Confident | 133 Ų | 133 | 90.8 Ų | 90.8 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 147.9 | -179.4 | -63.6 | -166.6 | -178.7 | -174.3 | 0 | 110.8 | H85 F91 Y93 I105 | K56-H85 PolarHBondContact O-CE1 2.92Å; K56-H85 PolarHBondContact O-ND1 3.46Å; K56-F91 VanDerWaalsContact O-CE2 3.23Å; K56-F91 WeakPolarHBondContact O-CE2 3.31Å; K56-Y93 PolarHBondContact N-OH 3.05Å; K56-I105 HydrophobicContact CB-CD1 4.47Å; K56-I105 HydrophobicContact CD-CD1 3.78Å; K56-I105 HydrophobicContact CG-CD1 4.19Å |
| 57 | T | 82.9 | Confident | 77.9 | Confident | 37 Ų | 37 | 86.7 Ų | 86.7 | 23% | 0.227 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 156.7 | 169.9 | 56.1 | 0 | 0 | 0 | 0 | 110.9 | D59 F67 | T57-D59 VanDerWaalsContact C-N 3.32Å; T57-D59 PolarHBondContact OG1-O 2.75Å; T57-F67 HydrophobicContact CG2-CD1 3.83Å; T57-F67 HydrophobicContact CG2-CE1 3.56Å |
| 58 | S | 79.7 | Confident | 78 | Confident | 58 Ų | 58 | 91 Ų | 91 | 41% | 0.406 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -61.3 | -42 | 171.4 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | D87 | S58-D87 WeakPolarHBondContact CB-OD2 3.3Å; S58-D87 PolarHBondContact N-OD2 2.94Å |
| 59 | D | 73.3 | Confident | 78.1 | Confident | 77 Ų | 77 | 86.3 Ų | 86.3 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | trans | -118.8 | 119 | -179.4 | -160.2 | -15 | 0 | 0 | 0 | 110.2 | T57 K61 N62 | T57-D59 VanDerWaalsContact C-N 3.32Å; T57-D59 PolarHBondContact OG1-O 2.75Å; D59-K61 PolarHBondContact O-N 2.86Å; D59-K61 PolarHBondContact OD1-N 3.43Å; D59-N62 PolarHBondContact O-N 3.32Å | ||
| 60 | S | 67.8 | Low | 78.2 | Confident | 94 Ų | 94 | 84.5 Ų | 84.5 | 66% | 0.657 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.2 | -179.1 | 57.4 | 0 | 0 | 0 | 0 | 113 | ||
| 61 | K | 65.1 | Low | 78.3 | Confident | 181 Ų | 181 | 78.9 Ų | 78.9 | 79% | 0.787 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -19.4 | 176.9 | -66.2 | -176 | 178.9 | -178.5 | 0 | 113 | D59 D63 | D59-K61 PolarHBondContact O-N 2.86Å; D59-K61 PolarHBondContact OD1-N 3.43Å; K61-D63 PolarHBondContact O-N 3.46Å |
| 62 | N | 58 | Low | 78.5 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | trans | -101.1 | 67 | -179.7 | -81 | -19.5 | 0 | 0 | 0 | 110.4 | D59 G64 | D59-N62 PolarHBondContact O-N 3.32Å; N62-G64 PolarHBondContact O-N 2.81Å | ||
| 63 | D | 53.4 | Low | 78.7 | Confident | 153 Ų | 153 | 70.5 Ų | 70.5 | 82% | 0.818 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 7.9 | 175.4 | -88.8 | -16.4 | 0 | 0 | 0 | 113.9 | K61 | K61-D63 PolarHBondContact O-N 3.46Š|
| 64 | G | 54.9 | Low | 78.8 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.7 | -6.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | N62 L66 | N62-G64 PolarHBondContact O-N 2.81Å; G64-L66 PolarHBondContact O-N 2.62Å |
| 65 | N | 54.7 | Low | 78.9 | Confident | 111 Ų | 111 | 66.7 Ų | 66.7 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | trans | -85 | 113.2 | -179.4 | -83.3 | -17.1 | 0 | 0 | 0 | 111.3 | F67 | N65-F67 PolarHBondContact O-N 2.84Š| ||
| 66 | L | 70.5 | Confident | 78.8 | Confident | 163 Ų | 163 | 70.4 Ų | 70.4 | 85% | 0.853 | 38% | 0.378 | S | S | * | . | trans | -60.9 | 89.4 | 179.7 | -73.6 | 145.5 | 0 | 0 | 0 | 111.4 | G64 | G64-L66 PolarHBondContact O-N 2.62Š| ||
| 67 | F | 85.2 | Confident | 78.9 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 4% | 0.039 | 37% | 0.371 | C | S | . | . | trans | -86.7 | 154.5 | 166.1 | 79.1 | -85.5 | 0 | 0 | 0 | 111.3 | R38 T55 T57 N65 V69 H85 S86 D87 | R38-F67 WeakPolarHBondContact CD-O 3.44Å; T55-F67 WeakPolarHBondContact OG1-CZ 3.29Å; T57-F67 HydrophobicContact CG2-CD1 3.83Å; T57-F67 HydrophobicContact CG2-CE1 3.56Å; N65-F67 PolarHBondContact O-N 2.84Å; F67-V69 HydrophobicContact CE2-CG2 4.27Å; F67-H85 HydrophobicContact CD2-CB 3.94Å; F67-H85 AromaticContact CD2-CG 3.84Å; F67-H85 AromaticContact CD2-ND1 3.75Å; F67-H85 HydrophobicContact CE2-CB 4.39Å; F67-H85 AromaticContact CE2-CE1 3.56Å; F67-H85 AromaticContact CE2-CG 3.78Å; F67-H85 AromaticContact CE2-ND1 3.41Å; F67-H85 WeakPolarHBondContact CE2-ND1 3.17Å; F67-S86 WeakPolarHBondContact CA-OG 3.5Å; F67-D87 HydrophobicContact CB-CB 3.8Å | ||
| 68 | Q | 87.1 | Confident | 79.2 | Confident | 94 Ų | 94 | 66.3 Ų | 66.3 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | trans | -118.1 | 141.9 | 173.8 | -64.5 | -177.3 | -5.3 | 0 | 0 | 109.9 | S86 | Q68-S86 PolarHBondContact N-OG 3.41Å; Q68-S86 PolarHBondContact O-N 3.42Å; Q68-S86 PolarHBondContact O-OG 3.04Å | ||
| 69 | V | 91.5 | Very high | 79.8 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 126.5 | 168.2 | 176.3 | 0 | 0 | 0 | 0 | 107.9 | Q20 C34 T55 F67 M72 I83 | Q20-V69 HydrophobicContact CB-CB 4.37Å; Q20-V69 WeakPolarHBondContact CB-O 3.31Å; C34-V69 HydrophobicContact CB-CG1 4.45Å; T55-V69 HydrophobicContact CG2-CG2 4.15Å; F67-V69 HydrophobicContact CE2-CG2 4.27Å; V69-M72 HydrophobicContact CG1-CG 4.36Å; V69-I83 HydrophobicContact CG1-CG2 3.6Å; V69-I83 HydrophobicContact CG2-CG2 4.17Å |
| 70 | R | 91.9 | Very high | 80.7 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 35% | 0.347 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -20.5 | -175.1 | -72.7 | -67.4 | -119.3 | -173.9 | 5.2 | 113.8 | A84 V115 Y154 | R70-A84 PolarHBondContact N-O 3.46Å; R70-V115 WeakPolarHBondContact CB-O 3.12Å; R70-V115 VanDerWaalsContact CG-O 3.27Å; R70-V115 WeakPolarHBondContact CG-O 3.36Å; R70-Y154 PolarHBondContact NH2-OH 3.28Å |
| 71 | G | 92.3 | Very high | 82 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 162.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A84 | G71-A84 PolarHBondContact O-N 3.07Å |
| 72 | M | 95.2 | Very high | 83.5 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 6% | 0.064 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.3 | 176.3 | -63 | -170.9 | -62.3 | 0 | 0 | 110.4 | S21 A23 A32 C34 V40 V69 L81 A82 I83 | S21-M72 VanDerWaalsContact O-CE 3.26Å; S21-M72 WeakPolarHBondContact O-CE 3.48Å; S21-M72 PolarHBondContact OG-N 2.85Å; S21-M72 VanDerWaalsContact OG-N 3.1Å; A23-M72 HydrophobicContact CB-CB 4.24Å; A32-M72 HydrophobicContact CB-CE 4.04Å; A32-M72 HydrophobicContact CB-SD 4.41Å; A32-M72 WeakPolarHBondContact O-CE 3.34Å; C34-M72 HydrophobicContact CB-CE 3.64Å; C34-M72 HydrophobicContact CB-SD 3.77Å; V40-M72 HydrophobicContact CG1-SD 4.08Å; V40-M72 HydrophobicContact CG2-SD 4.13Å; V69-M72 HydrophobicContact CG1-CG 4.36Å; M72-L81 HydrophobicContact CB-CD1 4.3Å; M72-L81 HydrophobicContact SD-CD2 4.31Å; M72-A82 CarbonylContact C-O 3.52Å; M72-A82 VanDerWaalsContact CA-O 3.27Å; M72-A82 WeakPolarHBondContact CA-O 3.24Å; M72-I83 HydrophobicContact CG-CG1 4.22Å; M72-I83 HydrophobicContact CG-CG2 4.24Å; M72-I83 HydrophobicContact SD-CD1 4.4Å; M72-I83 HydrophobicContact SD-CG1 4.49Å |
| 73 | A | 94.2 | Very high | 85.3 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 134.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A82 W120 | A73-A82 PolarHBondContact N-O 2.95Å; A73-A82 PolarHBondContact O-N 3.45Å; A73-W120 HydrophobicContact CB-CB 3.64Å |
| 74 | F | 94.1 | Very high | 87.2 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 4% | 0.044 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 150.9 | 174.7 | -84.6 | -88.9 | 0 | 0 | 0 | 111.3 | A23 W24 P26 K30 A32 K80 L81 L95 | A23-F74 HydrophobicContact CB-CD2 3.88Å; A23-F74 HydrophobicContact CB-CE2 4.12Å; A23-F74 WeakPolarHBondContact O-CE2 3.39Å; W24-F74 VanDerWaalsContact C-CD2 3.48Å; W24-F74 WeakPolarHBondContact O-CD2 3.49Å; P26-F74 HydrophobicContact CG-CB 4.46Å; K30-F74 HydrophobicContact CB-CE1 4.36Å; K30-F74 HydrophobicContact CB-CZ 4.14Å; A32-F74 HydrophobicContact CB-CE2 3.59Å; A32-F74 HydrophobicContact CB-CZ 3.79Å; F74-K80 WeakPolarHBondContact CA-O 3.02Å; F74-L81 HydrophobicContact CD1-CD1 4.1Å; F74-L81 HydrophobicContact CD2-CD1 3.67Å; F74-L81 HydrophobicContact CE1-CD1 4.17Å; F74-L81 HydrophobicContact CE2-CD1 3.72Å; F74-L81 HydrophobicContact CG-CD1 3.87Å; F74-L81 HydrophobicContact CZ-CD1 3.98Å; F74-L95 HydrophobicContact CD1-CD1 4.4Å; F74-L95 HydrophobicContact CE1-CD1 3.55Å; F74-L95 HydrophobicContact CZ-CD1 4.2Å |
| 75 | S | 92.1 | Very high | 89 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | trans | -69.9 | 156.4 | 166.1 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | P26 D77 S78 I79 K80 | P26-S75 WeakPolarHBondContact CD-O 3.26Å; P26-S75 WeakPolarHBondContact CG-O 3.29Å; S75-D77 VanDerWaalsContact C-N 3.27Å; S75-D77 WeakPolarHBondContact CB-OD1 3.21Å; S75-D77 PolarHBondContact O-N 2.91Å; S75-D77 PolarHBondContact OG-OD1 3.37Å; S75-S78 WeakPolarHBondContact O-CA 3.27Å; S75-S78 PolarHBondContact O-N 3.2Å; S75-I79 PolarHBondContact OG-N 2.84Å; S75-K80 PolarHBondContact N-O 3.28Å; S75-K80 WeakPolarHBondContact OG-CA 3.41Å; S75-K80 WeakPolarHBondContact OG-CB 3.31Å; S75-K80 PolarHBondContact OG-N 3.3Å; S75-K80 PolarHBondContact OG-O 2.78Å; S75-K80 VanDerWaalsContact OG-O 3.12Å | ||
| 76 | H | 86.8 | Confident | 90.7 | Very high | 88 Ų | 88 | 33.5 Ų | 33.5 | 41% | 0.407 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -38 | 179 | -176 | 71 | 0 | 0 | 0 | 113.6 | P26 S78 S122 H123 | P26-H76 WeakPolarHBondContact CB-O 3.48Å; H76-S78 PolarHBondContact O-N 3.3Å; H76-S122 WeakPolarHBondContact ND1-CB 3.29Å; H76-H123 AromaticContact CD2-CE1 3.3Å; H76-H123 PolarHBondContact CD2-CE1 2.75Å; H76-H123 AromaticContact CD2-ND1 3.84Å; H76-H123 AromaticContact CD2-NE2 3.57Å; H76-H123 AromaticContact CE1-NE2 3.8Å; H76-H123 AromaticContact NE2-CE1 3.39Å; H76-H123 PolarHBondContact NE2-CE1 3.43Å; H76-H123 AromaticContact NE2-NE2 3.22Å; H76-H123 PolarHBondContact NE2-NE2 2.92Å |
| 77 | D | 85.8 | Confident | 91.5 | Very high | 81 Ų | 81 | 27.6 Ų | 27.6 | 43% | 0.433 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -4 | 175.1 | 61.8 | 6.9 | 0 | 0 | 0 | 113.6 | S75 I79 | S75-D77 VanDerWaalsContact C-N 3.27Å; S75-D77 WeakPolarHBondContact CB-OD1 3.21Å; S75-D77 PolarHBondContact O-N 2.91Å; S75-D77 PolarHBondContact OG-OD1 3.37Å; D77-I79 HydrophobicContact CB-CD1 4.11Å; D77-I79 HydrophobicContact CB-CG1 4.3Å; D77-I79 WeakPolarHBondContact O-CG1 3.31Å; D77-I79 PolarHBondContact O-N 2.89Å; D77-I79 VanDerWaalsContact O-N 3.14Å; D77-I79 PolarHBondContact OD1-N 3.27Å; D77-I79 VanDerWaalsContact OD1-N 3.12Å |
| 78 | S | 89.3 | Confident | 91.9 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 62.6 | 9 | -176.6 | -53.6 | 0 | 0 | 0 | 0 | 115.8 | P26 N27 S75 H76 | P26-S78 VanDerWaalsContact CD-OG 3.27Å; P26-S78 WeakPolarHBondContact CD-OG 3.21Å; N27-S78 WeakPolarHBondContact CB-OG 3.25Å; N27-S78 VanDerWaalsContact CG-OG 3.27Å; N27-S78 PolarHBondContact N-OG 3.02Å; N27-S78 WeakPolarHBondContact ND2-CB 3.31Å; N27-S78 PolarHBondContact OD1-OG 2.7Å; S75-S78 WeakPolarHBondContact O-CA 3.27Å; S75-S78 PolarHBondContact O-N 3.2Å; H76-S78 PolarHBondContact O-N 3.3Å |
| 79 | I | 92.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 25.5 Ų | 25.5 | 20% | 0.2 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -89.7 | -22.5 | -176.6 | -64 | 169.1 | 0 | 0 | 0 | 111.3 | S75 D77 K94 L95 G96 E97 | S75-I79 PolarHBondContact OG-N 2.84Å; D77-I79 HydrophobicContact CB-CD1 4.11Å; D77-I79 HydrophobicContact CB-CG1 4.3Å; D77-I79 WeakPolarHBondContact O-CG1 3.31Å; D77-I79 PolarHBondContact O-N 2.89Å; D77-I79 VanDerWaalsContact O-N 3.14Å; D77-I79 PolarHBondContact OD1-N 3.27Å; D77-I79 VanDerWaalsContact OD1-N 3.12Å; I79-K94 HydrophobicContact CG2-CG 4.07Å; I79-L95 PolarHBondContact O-N 3.01Å; I79-G96 PolarHBondContact O-N 3.48Å; I79-E97 HydrophobicContact CG1-CB 4.49Å |
| 80 | K | 93.3 | Very high | 92.3 | Very high | 56 Ų | 56 | 25.5 Ų | 25.5 | 24% | 0.243 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 152.6 | -175.2 | -56.6 | 171.3 | -175.6 | 167.2 | 0 | 111.6 | F74 S75 V92 Y93 W120 | F74-K80 WeakPolarHBondContact CA-O 3.02Å; S75-K80 PolarHBondContact N-O 3.28Å; S75-K80 WeakPolarHBondContact OG-CA 3.41Å; S75-K80 WeakPolarHBondContact OG-CB 3.31Å; S75-K80 PolarHBondContact OG-N 3.3Å; S75-K80 PolarHBondContact OG-O 2.78Å; S75-K80 VanDerWaalsContact OG-O 3.12Å; K80-V92 HydrophobicContact CB-CG1 3.85Å; K80-V92 HydrophobicContact CD-CG1 4.27Å; K80-V92 HydrophobicContact CG-CG1 4.44Å; K80-Y93 CarbonylContact C-O 3.5Å; K80-Y93 WeakPolarHBondContact CA-O 3.46Å; K80-W120 HydrophobicContact CB-CH2 4.11Å; K80-W120 HydrophobicContact CB-CZ3 4.31Å |
| 81 | L | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 117.8 | 177.5 | -177.4 | 70.1 | 0 | 0 | 0 | 109.5 | A32 V40 F53 M72 F74 I83 V92 Y93 L95 | A32-L81 HydrophobicContact CB-CD1 4.14Å; A32-L81 HydrophobicContact CB-CD2 3.86Å; V40-L81 HydrophobicContact CG1-CD2 4.04Å; F53-L81 HydrophobicContact CZ-CD2 4.23Å; M72-L81 HydrophobicContact CB-CD1 4.3Å; M72-L81 HydrophobicContact SD-CD2 4.31Å; F74-L81 HydrophobicContact CD1-CD1 4.1Å; F74-L81 HydrophobicContact CD2-CD1 3.67Å; F74-L81 HydrophobicContact CE1-CD1 4.17Å; F74-L81 HydrophobicContact CE2-CD1 3.72Å; F74-L81 HydrophobicContact CG-CD1 3.87Å; F74-L81 HydrophobicContact CZ-CD1 3.98Å; L81-I83 HydrophobicContact CD2-CD1 4.22Å; L81-I83 HydrophobicContact CD2-CG1 4.34Å; L81-I83 HydrophobicContact CG-CG1 4.23Å; L81-V92 CarbonylContact O-C 3.48Å; L81-V92 WeakPolarHBondContact O-CA 3.35Å; L81-Y93 PolarHBondContact N-O 3.32Å; L81-Y93 PolarHBondContact O-N 2.9Å; L81-L95 HydrophobicContact CB-CD1 3.79Å; L81-L95 HydrophobicContact CB-CG 4.28Å; L81-L95 HydrophobicContact CD2-CD1 4.43Å |
| 82 | A | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | M72 A73 I90 F91 V92 I118 W120 I126 | M72-A82 CarbonylContact C-O 3.52Å; M72-A82 VanDerWaalsContact CA-O 3.27Å; M72-A82 WeakPolarHBondContact CA-O 3.24Å; A73-A82 PolarHBondContact N-O 2.95Å; A73-A82 PolarHBondContact O-N 3.45Å; A82-I90 HydrophobicContact CB-CG2 4.38Å; A82-F91 CarbonylContact C-O 3.52Å; A82-F91 WeakPolarHBondContact CA-O 3.47Å; A82-V92 HydrophobicContact CB-CG2 4.23Å; A82-I118 HydrophobicContact CB-CD1 3.93Å; A82-W120 HydrophobicContact CB-CE3 3.68Å; A82-W120 HydrophobicContact CB-CZ3 3.71Å; A82-I126 HydrophobicContact CB-CD1 3.73Å; A82-I126 HydrophobicContact CB-CG1 4.26Å; A82-I126 HydrophobicContact CB-CG2 4.47Å |
| 83 | I | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.3 | -179.8 | -50.6 | -171.7 | 0 | 0 | 0 | 108.3 | V40 F53 T55 V69 M72 L81 H85 I90 F91 Y93 | V40-I83 HydrophobicContact CG2-CD1 3.67Å; F53-I83 HydrophobicContact CE2-CD1 4.03Å; F53-I83 HydrophobicContact CZ-CD1 4.3Å; T55-I83 HydrophobicContact CG2-CD1 4.04Å; T55-I83 HydrophobicContact CG2-CG2 4.23Å; V69-I83 HydrophobicContact CG1-CG2 3.6Å; V69-I83 HydrophobicContact CG2-CG2 4.17Å; M72-I83 HydrophobicContact CG-CG1 4.22Å; M72-I83 HydrophobicContact CG-CG2 4.24Å; M72-I83 HydrophobicContact SD-CD1 4.4Å; M72-I83 HydrophobicContact SD-CG1 4.49Å; L81-I83 HydrophobicContact CD2-CD1 4.22Å; L81-I83 HydrophobicContact CD2-CG1 4.34Å; L81-I83 HydrophobicContact CG-CG1 4.23Å; I83-H85 WeakPolarHBondContact CG2-NE2 3.23Å; I83-I90 WeakPolarHBondContact O-CA 3.34Å; I83-F91 PolarHBondContact N-O 3.14Å; I83-F91 PolarHBondContact O-N 2.87Å; I83-Y93 HydrophobicContact CB-CE2 4.4Å; I83-Y93 HydrophobicContact CD1-CD2 3.68Å; I83-Y93 HydrophobicContact CD1-CE2 3.59Å; I83-Y93 HydrophobicContact CG1-CD2 3.96Å; I83-Y93 HydrophobicContact CG1-CE2 4.07Å |
| 84 | A | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | R70 G71 I90 V115 I118 | R70-A84 PolarHBondContact N-O 3.46Å; G71-A84 PolarHBondContact O-N 3.07Å; A84-I90 HydrophobicContact CB-CG1 4.47Å; A84-V115 HydrophobicContact CB-CB 4.06Å; A84-V115 HydrophobicContact CB-CG1 3.55Å; A84-I118 HydrophobicContact CB-CB 3.95Å; A84-I118 HydrophobicContact CB-CD1 3.97Å; A84-I118 HydrophobicContact CB-CG2 3.96Å |
| 85 | H | 91.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 153 | -180 | -59.2 | -175.4 | 0 | 0 | 0 | 112 | K56 F67 I83 D87 I89 F91 | K56-H85 PolarHBondContact O-CE1 2.92Å; K56-H85 PolarHBondContact O-ND1 3.46Å; F67-H85 HydrophobicContact CD2-CB 3.94Å; F67-H85 AromaticContact CD2-CG 3.84Å; F67-H85 AromaticContact CD2-ND1 3.75Å; F67-H85 HydrophobicContact CE2-CB 4.39Å; F67-H85 AromaticContact CE2-CE1 3.56Å; F67-H85 AromaticContact CE2-CG 3.78Å; F67-H85 AromaticContact CE2-ND1 3.41Å; F67-H85 WeakPolarHBondContact CE2-ND1 3.17Å; I83-H85 WeakPolarHBondContact CG2-NE2 3.23Å; H85-D87 VanDerWaalsContact C-N 3.29Å; H85-D87 WeakPolarHBondContact CB-OD1 3.29Å; H85-D87 IonicContact CG-OD1 2.74Å; H85-D87 IonicContact ND1-OD1 3.94Å; H85-D87 PolarHBondContact O-N 2.7Å; H85-I89 HydrophobicContact CB-CG2 3.97Å; H85-I89 PolarHBondContact N-O 3.13Å; H85-F91 AromaticContact CE1-CD2 3.47Å; H85-F91 VanDerWaalsContact CE1-CD2 3.47Å; H85-F91 WeakPolarHBondContact CE1-CD2 3.23Å; H85-F91 AromaticContact CE1-CE2 3.87Å; H85-F91 AromaticContact ND1-CD2 3.79Å; H85-F91 AromaticContact ND1-CE2 3.92Å |
| 86 | S | 90.5 | Very high | 91.8 | Very high | 31 Ų | 31 | 24 Ų | 24 | 22% | 0.217 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -16.2 | 174.6 | 70.7 | 0 | 0 | 0 | 0 | 113.8 | F67 Q68 N88 P114 | F67-S86 WeakPolarHBondContact CA-OG 3.5Å; Q68-S86 PolarHBondContact N-OG 3.41Å; Q68-S86 PolarHBondContact O-N 3.42Å; Q68-S86 PolarHBondContact O-OG 3.04Å; S86-N88 PolarHBondContact O-N 2.82Å; S86-N88 VanDerWaalsContact O-N 3.11Å; S86-N88 PolarHBondContact O-OD1 3.38Å; S86-P114 VanDerWaalsContact O-CB 3.29Å; S86-P114 WeakPolarHBondContact O-CB 2.93Å |
| 87 | D | 88.7 | Confident | 91.6 | Very high | 39 Ų | 39 | 26.6 Ų | 26.6 | 21% | 0.209 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 35.5 | 173.7 | 66.4 | -21.6 | 0 | 0 | 0 | 112.4 | S58 F67 H85 I89 | S58-D87 WeakPolarHBondContact CB-OD2 3.3Å; S58-D87 PolarHBondContact N-OD2 2.94Å; F67-D87 HydrophobicContact CB-CB 3.8Å; H85-D87 VanDerWaalsContact C-N 3.29Å; H85-D87 WeakPolarHBondContact CB-OD1 3.29Å; H85-D87 IonicContact CG-OD1 2.74Å; H85-D87 IonicContact ND1-OD1 3.94Å; H85-D87 PolarHBondContact O-N 2.7Å; D87-I89 PolarHBondContact O-N 3.01Å; D87-I89 WeakPolarHBondContact OD1-CG2 3.43Å |
| 88 | N | 91.9 | Very high | 91.4 | Very high | 52 Ų | 52 | 25.3 Ų | 25.3 | 28% | 0.278 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 35.3 | 171.8 | -48.1 | -18 | 0 | 0 | 0 | 114.6 | S86 Q111 C113 P114 | S86-N88 PolarHBondContact O-N 2.82Å; S86-N88 VanDerWaalsContact O-N 3.11Å; S86-N88 PolarHBondContact O-OD1 3.38Å; N88-Q111 HydrophobicContact CB-CB 4.36Å; N88-Q111 WeakPolarHBondContact CB-O 3.48Å; N88-Q111 WeakPolarHBondContact O-CA 3.22Å; N88-Q111 WeakPolarHBondContact O-CB 3.39Å; N88-Q111 PolarHBondContact O-N 2.95Å; N88-C113 PolarHBondContact OD1-O 2.8Å; N88-P114 WeakPolarHBondContact OD1-CA 3.49Å; N88-P114 WeakPolarHBondContact OD1-CD 3.34Å; N88-P114 VanDerWaalsContact OD1-CG 3.31Å; N88-P114 WeakPolarHBondContact OD1-CG 3.35Å |
| 89 | I | 92.6 | Very high | 91.2 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 150.7 | 178.5 | -165.1 | 157.5 | 0 | 0 | 0 | 112.7 | H85 D87 F91 | H85-I89 HydrophobicContact CB-CG2 3.97Å; H85-I89 PolarHBondContact N-O 3.13Å; D87-I89 PolarHBondContact O-N 3.01Å; D87-I89 WeakPolarHBondContact OD1-CG2 3.43Å; I89-F91 HydrophobicContact CB-CE2 4.45Å; I89-F91 HydrophobicContact CD1-CD1 4.44Å; I89-F91 HydrophobicContact CD1-CE1 3.74Å; I89-F91 HydrophobicContact CD1-CE2 3.9Å; I89-F91 HydrophobicContact CD1-CZ 3.44Å; I89-F91 VanDerWaalsContact CD1-CZ 3.44Å; I89-F91 HydrophobicContact CG1-CD2 4.37Å; I89-F91 HydrophobicContact CG1-CE1 4.36Å; I89-F91 HydrophobicContact CG1-CE2 4.1Å; I89-F91 HydrophobicContact CG1-CZ 4.11Å; I89-F91 HydrophobicContact CG2-CD2 3.91Å; I89-F91 HydrophobicContact CG2-CE2 3.52Å; I89-F91 HydrophobicContact CG2-CZ 4.22Å |
| 90 | I | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.3 | 166.2 | -53.1 | 170 | 0 | 0 | 0 | 108 | A82 I83 A84 F109 V115 I118 C128 | A82-I90 HydrophobicContact CB-CG2 4.38Å; I83-I90 WeakPolarHBondContact O-CA 3.34Å; A84-I90 HydrophobicContact CB-CG1 4.47Å; I90-F109 HydrophobicContact CB-CB 4.18Å; I90-F109 HydrophobicContact CB-CD2 4.41Å; I90-F109 PolarHBondContact N-O 2.8Å; I90-F109 PolarHBondContact O-N 3.34Å; I90-V115 HydrophobicContact CD1-CG2 4.28Å; I90-V115 HydrophobicContact CG1-CG2 3.9Å; I90-I118 HydrophobicContact CD1-CD1 4.45Å; I90-I118 HydrophobicContact CG2-CD1 3.85Å; I90-C128 HydrophobicContact CD1-CB 3.61Å; I90-C128 VanDerWaalsContact CD1-SG 3.57Å |
| 91 | F | 94.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.6 | 173.5 | -74.5 | -68 | 0 | 0 | 0 | 110.4 | K56 A82 I83 H85 I89 Y93 I105 K108 | K56-F91 VanDerWaalsContact O-CE2 3.23Å; K56-F91 WeakPolarHBondContact O-CE2 3.31Å; A82-F91 CarbonylContact C-O 3.52Å; A82-F91 WeakPolarHBondContact CA-O 3.47Å; I83-F91 PolarHBondContact N-O 3.14Å; I83-F91 PolarHBondContact O-N 2.87Å; H85-F91 AromaticContact CE1-CD2 3.47Å; H85-F91 VanDerWaalsContact CE1-CD2 3.47Å; H85-F91 WeakPolarHBondContact CE1-CD2 3.23Å; H85-F91 AromaticContact CE1-CE2 3.87Å; H85-F91 AromaticContact ND1-CD2 3.79Å; H85-F91 AromaticContact ND1-CE2 3.92Å; I89-F91 HydrophobicContact CB-CE2 4.45Å; I89-F91 HydrophobicContact CD1-CD1 4.44Å; I89-F91 HydrophobicContact CD1-CE1 3.74Å; I89-F91 HydrophobicContact CD1-CE2 3.9Å; I89-F91 HydrophobicContact CD1-CZ 3.44Å; I89-F91 VanDerWaalsContact CD1-CZ 3.44Å; I89-F91 HydrophobicContact CG1-CD2 4.37Å; I89-F91 HydrophobicContact CG1-CE1 4.36Å; I89-F91 HydrophobicContact CG1-CE2 4.1Å; I89-F91 HydrophobicContact CG1-CZ 4.11Å; I89-F91 HydrophobicContact CG2-CD2 3.91Å; I89-F91 HydrophobicContact CG2-CE2 3.52Å; I89-F91 HydrophobicContact CG2-CZ 4.22Å; F91-Y93 HydrophobicContact CB-CD2 4.2Å; F91-Y93 HydrophobicContact CB-CE2 3.58Å; F91-I105 HydrophobicContact CD1-CD1 4.1Å; F91-I105 HydrophobicContact CD1-CG2 3.7Å; F91-I105 HydrophobicContact CE1-CD1 4.35Å; F91-I105 HydrophobicContact CE1-CG2 4.38Å; F91-K108 HydrophobicContact CD1-CB 4.37Å; F91-K108 HydrophobicContact CD1-CD 4.33Å; F91-K108 HydrophobicContact CD1-CG 3.79Å; F91-K108 HydrophobicContact CE1-CB 4.3Å; F91-K108 HydrophobicContact CE1-CD 3.72Å; F91-K108 HydrophobicContact CE1-CG 3.68Å |
| 92 | V | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.4 | 171 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | K80 L81 A82 I105 C106 N107 F109 W120 I126 | K80-V92 HydrophobicContact CB-CG1 3.85Å; K80-V92 HydrophobicContact CD-CG1 4.27Å; K80-V92 HydrophobicContact CG-CG1 4.44Å; L81-V92 CarbonylContact O-C 3.48Å; L81-V92 WeakPolarHBondContact O-CA 3.35Å; A82-V92 HydrophobicContact CB-CG2 4.23Å; V92-I105 CarbonylContact O-C 2.86Å; V92-I105 WeakPolarHBondContact O-CA 3.2Å; V92-C106 PolarHBondContact O-N 3.4Å; V92-C106 PolarHBondContact O-SG 3.45Å; V92-N107 HydrophobicContact CB-CB 3.86Å; V92-N107 HydrophobicContact CG2-CB 3.87Å; V92-N107 PolarHBondContact N-O 2.78Å; V92-N107 PolarHBondContact O-N 3.26Å; V92-F109 HydrophobicContact CG2-CD2 4.28Å; V92-F109 HydrophobicContact CG2-CE2 3.8Å; V92-W120 HydrophobicContact CG1-CH2 3.97Å; V92-W120 HydrophobicContact CG1-CZ3 4.1Å; V92-I126 HydrophobicContact CG2-CD1 3.68Å |
| 93 | Y | 94.4 | Very high | 89.6 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.1 | 177.8 | -68 | -99.3 | 0 | 0 | 0 | 109.4 | F53 K56 K80 L81 I83 F91 V103 V104 I105 | F53-Y93 HydrophobicContact CD2-CD1 4.05Å; F53-Y93 AromaticContact CD2-CE1 3.82Å; F53-Y93 HydrophobicContact CD2-CE1 3.82Å; F53-Y93 AromaticContact CE2-CD1 3.64Å; F53-Y93 HydrophobicContact CE2-CD1 3.64Å; F53-Y93 HydrophobicContact CE2-CD2 4.16Å; F53-Y93 AromaticContact CE2-CE1 3.66Å; F53-Y93 HydrophobicContact CE2-CE1 3.66Å; F53-Y93 HydrophobicContact CE2-CE2 4.21Å; F53-Y93 AromaticContact CE2-CG 3.88Å; F53-Y93 HydrophobicContact CE2-CG 3.88Å; F53-Y93 AromaticContact CE2-CZ 3.96Å; F53-Y93 HydrophobicContact CZ-CD1 4.27Å; F53-Y93 HydrophobicContact CZ-CG 4.23Å; K56-Y93 PolarHBondContact N-OH 3.05Å; K80-Y93 CarbonylContact C-O 3.5Å; K80-Y93 WeakPolarHBondContact CA-O 3.46Å; L81-Y93 PolarHBondContact N-O 3.32Å; L81-Y93 PolarHBondContact O-N 2.9Å; I83-Y93 HydrophobicContact CB-CE2 4.4Å; I83-Y93 HydrophobicContact CD1-CD2 3.68Å; I83-Y93 HydrophobicContact CD1-CE2 3.59Å; I83-Y93 HydrophobicContact CG1-CD2 3.96Å; I83-Y93 HydrophobicContact CG1-CE2 4.07Å; F91-Y93 HydrophobicContact CB-CD2 4.2Å; F91-Y93 HydrophobicContact CB-CE2 3.58Å; Y93-V103 HydrophobicContact CD1-CG1 3.82Å; Y93-V103 HydrophobicContact CG-CG1 4.48Å; Y93-V104 CarbonylContact C-O 3.58Å; Y93-V104 WeakPolarHBondContact CA-O 3.48Å; Y93-I105 HydrophobicContact CD1-CG1 3.71Å; Y93-I105 HydrophobicContact CE1-CD1 3.92Å; Y93-I105 HydrophobicContact CE1-CG1 3.4Å; Y93-I105 VanDerWaalsContact CE1-CG1 3.4Å; Y93-I105 HydrophobicContact CE2-CG1 4.4Å; Y93-I105 HydrophobicContact CG-CG1 4.36Å |
| 94 | K | 93.2 | Very high | 89.5 | Confident | 88 Ų | 88 | 50 Ų | 50 | 38% | 0.383 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.4 | 166.5 | -172.9 | -177 | 176 | -171.2 | 0 | 108.1 | I79 E101 V103 V104 C106 | I79-K94 HydrophobicContact CG2-CG 4.07Å; K94-E101 IonicContact NZ-OE2 3.89Å; K94-V103 WeakPolarHBondContact O-CA 3.22Å; K94-V104 PolarHBondContact N-O 2.92Å; K94-V104 PolarHBondContact O-N 3.44Å; K94-V104 VanDerWaalsContact O-N 3.13Å; K94-C106 HydrophobicContact CB-CB 4.36Å |
| 95 | L | 90.8 | Very high | 89.3 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | trans | -98.6 | -20.8 | 179.3 | -58.8 | 176 | 0 | 0 | 0 | 112.8 | I42 F53 F74 I79 L81 V103 | I42-L95 HydrophobicContact CD1-CD1 3.5Å; I42-L95 HydrophobicContact CD1-CD2 3.49Å; I42-L95 VanDerWaalsContact CD1-CD2 3.49Å; I42-L95 HydrophobicContact CD1-CG 4.07Å; F53-L95 HydrophobicContact CE1-CD2 3.95Å; F53-L95 HydrophobicContact CZ-CD2 4.33Å; F74-L95 HydrophobicContact CD1-CD1 4.4Å; F74-L95 HydrophobicContact CE1-CD1 3.55Å; F74-L95 HydrophobicContact CZ-CD1 4.2Å; I79-L95 PolarHBondContact O-N 3.01Å; L81-L95 HydrophobicContact CB-CD1 3.79Å; L81-L95 HydrophobicContact CB-CG 4.28Å; L81-L95 HydrophobicContact CD2-CD1 4.43Å; L95-V103 HydrophobicContact CD2-CB 4.46Å; L95-V103 HydrophobicContact CD2-CG1 3.89Å; L95-V103 HydrophobicContact CD2-CG2 3.81Å | ||
| 96 | G | 82.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | 84.4 | 168.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K30 I79 E101 | K30-G96 PolarHBondContact NZ-O 3.41Å; I79-G96 PolarHBondContact O-N 3.48Å; G96-E101 WeakPolarHBondContact CA-OE1 3.47Å; G96-E101 WeakPolarHBondContact CA-OE2 3.08Å | ||
| 97 | E | 81.8 | Confident | 89.5 | Confident | 142 Ų | 142 | 53.5 Ų | 53.5 | 66% | 0.664 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -81.8 | -50.8 | 172.9 | -171.6 | 172.4 | -173.8 | 0 | 0 | 109.7 | K30 I79 E101 | K30-E97 PolarHBondContact NZ-O 3.23Å; I79-E97 HydrophobicContact CG1-CB 4.49Å; E97-E101 PolarHBondContact N-OE1 3.15Å; E97-E101 VanDerWaalsContact N-OE1 3.12Å |
| 98 | S | 82.8 | Confident | 89.7 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 38% | 0.378 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -73.4 | 163.6 | 171.6 | 69.9 | 0 | 0 | 0 | 0 | 112 | D100 | S98-D100 VanDerWaalsContact C-N 3.32Š|
| 99 | W | 84.7 | Confident | 89.9 | Confident | 97 Ų | 97 | 55 Ų | 55 | 37% | 0.367 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -80.9 | -13 | 175.7 | -67.4 | 104.4 | 0 | 0 | 0 | 113.3 | K30 I42 D44 R50 T51 | K30-W99 HydrophobicContact CB-CH2 4.25Å; K30-W99 HydrophobicContact CD-CH2 4.05Å; K30-W99 HydrophobicContact CD-CZ2 4.43Å; K30-W99 HydrophobicContact CD-CZ3 4.29Å; K30-W99 HydrophobicContact CG-CH2 3.65Å; K30-W99 HydrophobicContact CG-CZ2 3.88Å; K30-W99 HydrophobicContact CG-CZ3 4.37Å; I42-W99 HydrophobicContact CB-CZ3 4.36Å; I42-W99 HydrophobicContact CG2-CH2 3.72Å; I42-W99 HydrophobicContact CG2-CZ3 3.6Å; D44-W99 HydrophobicContact CB-CH2 4.48Å; D44-W99 HydrophobicContact CB-CZ2 3.96Å; R50-W99 HydrophobicContact CB-CD2 3.95Å; R50-W99 HydrophobicContact CB-CE3 3.37Å; R50-W99 HydrophobicContact CB-CH2 3.68Å; R50-W99 HydrophobicContact CB-CZ2 4.23Å; R50-W99 HydrophobicContact CB-CZ3 3.23Å; R50-W99 HydrophobicContact CG-CD2 3.98Å; R50-W99 HydrophobicContact CG-CE3 3.88Å; R50-W99 HydrophobicContact CG-CH2 3.59Å; R50-W99 HydrophobicContact CG-CZ2 3.71Å; R50-W99 HydrophobicContact CG-CZ3 3.69Å; T51-W99 HydrophobicContact CG2-CZ3 4.41Å |
| 100 | D | 83 | Confident | 89.8 | Confident | 154 Ų | 154 | 58.8 Ų | 58.8 | 82% | 0.824 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -84.6 | -13.1 | -175.8 | -58.8 | -36.1 | 0 | 0 | 0 | 113 | S98 | S98-D100 VanDerWaalsContact C-N 3.32Š|
| 101 | E | 84.2 | Confident | 89.7 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -69.9 | 131.3 | 177.4 | -79.2 | -178.3 | -115.9 | 0 | 0 | 111.9 | K94 G96 E97 V103 | K94-E101 IonicContact NZ-OE2 3.89Å; G96-E101 WeakPolarHBondContact CA-OE1 3.47Å; G96-E101 WeakPolarHBondContact CA-OE2 3.08Å; E97-E101 PolarHBondContact N-OE1 3.15Å; E97-E101 VanDerWaalsContact N-OE1 3.12Å; E101-V103 PolarHBondContact O-N 2.89Å |
| 102 | K | 85.5 | Confident | 89.5 | Confident | 178 Ų | 178 | 67.8 Ų | 67.8 | 77% | 0.774 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 132.4 | 177.4 | -171.7 | 174.9 | -177.7 | 175.4 | 0 | 110.7 | V104 | K102-V104 HydrophobicContact CG-CG2 4.32Å; K102-V104 PolarHBondContact O-N 3.46Å |
| 103 | V | 89.5 | Confident | 89.3 | Confident | 38 Ų | 38 | 69.3 Ų | 69.3 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 117.2 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | F53 Y93 K94 L95 E101 | F53-V103 HydrophobicContact CD1-CG1 3.92Å; F53-V103 HydrophobicContact CD1-CG2 4.3Å; F53-V103 HydrophobicContact CD2-CG1 4.38Å; F53-V103 HydrophobicContact CE1-CG1 4.03Å; F53-V103 HydrophobicContact CE2-CG1 4.48Å; F53-V103 HydrophobicContact CG-CG1 4.09Å; F53-V103 HydrophobicContact CZ-CG1 4.3Å; Y93-V103 HydrophobicContact CD1-CG1 3.82Å; Y93-V103 HydrophobicContact CG-CG1 4.48Å; K94-V103 WeakPolarHBondContact O-CA 3.22Å; L95-V103 HydrophobicContact CD2-CB 4.46Å; L95-V103 HydrophobicContact CD2-CG1 3.89Å; L95-V103 HydrophobicContact CD2-CG2 3.81Å; E101-V103 PolarHBondContact O-N 2.89Å |
| 104 | V | 92.2 | Very high | 89.2 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 47% | 0.473 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 141 | -177.2 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | Y93 K94 K102 C106 | Y93-V104 CarbonylContact C-O 3.58Å; Y93-V104 WeakPolarHBondContact CA-O 3.48Å; K94-V104 PolarHBondContact N-O 2.92Å; K94-V104 PolarHBondContact O-N 3.44Å; K94-V104 VanDerWaalsContact O-N 3.13Å; K102-V104 HydrophobicContact CG-CG2 4.32Å; K102-V104 PolarHBondContact O-N 3.46Å; V104-C106 PolarHBondContact O-N 2.89Å |
| 105 | I | 91.8 | Very high | 89.2 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 19% | 0.185 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 115.6 | 172.2 | -61.4 | 170.4 | 0 | 0 | 0 | 108.9 | K56 F91 V92 Y93 K108 | K56-I105 HydrophobicContact CB-CD1 4.47Å; K56-I105 HydrophobicContact CD-CD1 3.78Å; K56-I105 HydrophobicContact CG-CD1 4.19Å; F91-I105 HydrophobicContact CD1-CD1 4.1Å; F91-I105 HydrophobicContact CD1-CG2 3.7Å; F91-I105 HydrophobicContact CE1-CD1 4.35Å; F91-I105 HydrophobicContact CE1-CG2 4.38Å; V92-I105 CarbonylContact O-C 2.86Å; V92-I105 WeakPolarHBondContact O-CA 3.2Å; Y93-I105 HydrophobicContact CD1-CG1 3.71Å; Y93-I105 HydrophobicContact CE1-CD1 3.92Å; Y93-I105 HydrophobicContact CE1-CG1 3.4Å; Y93-I105 VanDerWaalsContact CE1-CG1 3.4Å; Y93-I105 HydrophobicContact CE2-CG1 4.4Å; Y93-I105 HydrophobicContact CG-CG1 4.36Å; I105-K108 HydrophobicContact CG2-CG 3.97Å |
| 106 | C | 92.3 | Very high | 89.4 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -27 | -179 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | V92 K94 V104 | V92-C106 PolarHBondContact O-N 3.4Å; V92-C106 PolarHBondContact O-SG 3.45Å; K94-C106 HydrophobicContact CB-CB 4.36Å; V104-C106 PolarHBondContact O-N 2.89Å |
| 107 | N | 94 | Very high | 89.9 | Confident | 16 Ų | 16 | 67.9 Ų | 67.9 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 150 | 175.1 | -59.2 | 89.6 | 0 | 0 | 0 | 111.1 | V92 F109 T140 N143 | V92-N107 HydrophobicContact CB-CB 3.86Å; V92-N107 HydrophobicContact CG2-CB 3.87Å; V92-N107 PolarHBondContact N-O 2.78Å; V92-N107 PolarHBondContact O-N 3.26Å; N107-F109 HydrophobicContact CB-CD2 4.48Å; N107-F109 HydrophobicContact CB-CE2 3.76Å; N107-F109 HydrophobicContact CB-CZ 4.04Å; N107-T140 PolarHBondContact ND2-O 2.73Å; N107-N143 WeakPolarHBondContact CB-OD1 3.38Å; N107-N143 PolarHBondContact ND2-OD1 3.1Å |
| 108 | K | 93.4 | Very high | 90.6 | Very high | 121 Ų | 121 | 62 Ų | 62 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 120.5 | 177 | -56 | -173.3 | 175.2 | -175.1 | 0 | 108.5 | F91 I105 P110 | F91-K108 HydrophobicContact CD1-CB 4.37Å; F91-K108 HydrophobicContact CD1-CD 4.33Å; F91-K108 HydrophobicContact CD1-CG 3.79Å; F91-K108 HydrophobicContact CE1-CB 4.3Å; F91-K108 HydrophobicContact CE1-CD 3.72Å; F91-K108 HydrophobicContact CE1-CG 3.68Å; I105-K108 HydrophobicContact CG2-CG 3.97Å; K108-P110 WeakPolarHBondContact O-CD 3.42Å |
| 109 | F | 94.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 89.2 | 179 | -57.7 | -79.3 | 0 | 0 | 0 | 110.8 | I90 V92 N107 Q111 I126 A138 N139 T140 | I90-F109 HydrophobicContact CB-CB 4.18Å; I90-F109 HydrophobicContact CB-CD2 4.41Å; I90-F109 PolarHBondContact N-O 2.8Å; I90-F109 PolarHBondContact O-N 3.34Å; V92-F109 HydrophobicContact CG2-CD2 4.28Å; V92-F109 HydrophobicContact CG2-CE2 3.8Å; N107-F109 HydrophobicContact CB-CD2 4.48Å; N107-F109 HydrophobicContact CB-CE2 3.76Å; N107-F109 HydrophobicContact CB-CZ 4.04Å; F109-Q111 PolarHBondContact O-NE2 3.1Å; F109-I126 HydrophobicContact CE2-CD1 4.13Å; F109-A138 HydrophobicContact CB-CB 4.29Å; F109-A138 HydrophobicContact CD1-CB 3.8Å; F109-A138 HydrophobicContact CD2-CB 3.87Å; F109-A138 HydrophobicContact CE1-CB 3.95Å; F109-A138 HydrophobicContact CE2-CB 4.04Å; F109-A138 HydrophobicContact CG-CB 3.73Å; F109-A138 HydrophobicContact CZ-CB 4.07Å; F109-N139 WeakPolarHBondContact CE1-O 3.38Å; F109-N139 WeakPolarHBondContact CZ-O 3.36Å; F109-T140 HydrophobicContact CE2-CG2 4.39Å; F109-T140 HydrophobicContact CZ-CG2 4.31Å |
| 110 | P | 92.2 | Very high | 91.5 | Very high | 88 Ų | 88 | 57.2 Ų | 57.2 | 57% | 0.571 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 141.9 | 172.3 | 26.7 | -33.2 | 0 | 0 | 0 | 110.9 | K108 | K108-P110 WeakPolarHBondContact O-CD 3.42Å |
| 111 | Q | 91.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | trans | -120.1 | 161.5 | -178.7 | -55.7 | -61.3 | -34.5 | 0 | 0 | 109.4 | N88 F109 C113 V115 L130 | N88-Q111 HydrophobicContact CB-CB 4.36Å; N88-Q111 WeakPolarHBondContact CB-O 3.48Å; N88-Q111 WeakPolarHBondContact O-CA 3.22Å; N88-Q111 WeakPolarHBondContact O-CB 3.39Å; N88-Q111 PolarHBondContact O-N 2.95Å; F109-Q111 PolarHBondContact O-NE2 3.1Å; Q111-C113 WeakPolarHBondContact CB-O 3.49Å; Q111-V115 HydrophobicContact CB-CG2 4.35Å; Q111-V115 HydrophobicContact CG-CG2 3.72Å; Q111-L130 HydrophobicContact CB-CD2 4.09Å; Q111-L130 HydrophobicContact CG-CD2 4.14Å | ||
| 112 | K | 89.6 | Confident | 91.7 | Very high | 177 Ų | 177 | 48.6 Ų | 48.6 | 77% | 0.77 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -83.4 | -26.2 | 177.4 | -67.6 | -171.5 | 176.5 | -173.6 | 0 | 112.8 | ||
| 113 | C | 91.7 | Very high | 91.5 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 22% | 0.216 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -135.6 | 164.1 | -176.3 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | N88 Q111 V115 L130 D132 | N88-C113 PolarHBondContact OD1-O 2.8Å; Q111-C113 WeakPolarHBondContact CB-O 3.49Å; C113-V115 PolarHBondContact O-N 3.48Å; C113-L130 HydrophobicContact CB-CB 4.48Å; C113-D132 HydrophobicContact CB-CB 4.31Å |
| 114 | P | 92.3 | Very high | 91.5 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | trans | -58.7 | 134.8 | -179 | -29.8 | 36.5 | 0 | 0 | 0 | 111.4 | S86 N88 L130 A131 | S86-P114 VanDerWaalsContact O-CB 3.29Å; S86-P114 WeakPolarHBondContact O-CB 2.93Å; N88-P114 WeakPolarHBondContact OD1-CA 3.49Å; N88-P114 WeakPolarHBondContact OD1-CD 3.34Å; N88-P114 VanDerWaalsContact OD1-CG 3.31Å; N88-P114 WeakPolarHBondContact OD1-CG 3.35Å; P114-L130 WeakPolarHBondContact O-CA 3.43Å; P114-A131 HydrophobicContact CB-CB 4.33Å; P114-A131 PolarHBondContact O-N 3.21Å | ||
| 115 | V | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 130.9 | 173.2 | -173 | 0 | 0 | 0 | 0 | 108.4 | R70 A84 I90 Q111 C113 C128 L130 | R70-V115 WeakPolarHBondContact CB-O 3.12Å; R70-V115 VanDerWaalsContact CG-O 3.27Å; R70-V115 WeakPolarHBondContact CG-O 3.36Å; A84-V115 HydrophobicContact CB-CB 4.06Å; A84-V115 HydrophobicContact CB-CG1 3.55Å; I90-V115 HydrophobicContact CD1-CG2 4.28Å; I90-V115 HydrophobicContact CG1-CG2 3.9Å; Q111-V115 HydrophobicContact CB-CG2 4.35Å; Q111-V115 HydrophobicContact CG-CG2 3.72Å; C113-V115 PolarHBondContact O-N 3.48Å; V115-C128 HydrophobicContact CG1-CB 3.82Å; V115-L130 HydrophobicContact CB-CD2 4.41Å; V115-L130 HydrophobicContact CG2-CD2 3.88Å |
| 116 | T | 94.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -34.2 | -174.1 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | G129 A131 Y154 V155 | T116-G129 PolarHBondContact N-O 2.89Å; T116-G129 PolarHBondContact OG1-O 2.73Å; T116-G129 VanDerWaalsContact OG1-O 3.14Å; T116-A131 HydrophobicContact CG2-CB 4.08Å; T116-Y154 HydrophobicContact CG2-CD2 4.49Å; T116-Y154 HydrophobicContact CG2-CE1 3.77Å; T116-Y154 HydrophobicContact CG2-CE2 3.75Å; T116-Y154 VanDerWaalsContact CG2-OH 3.3Å; T116-Y154 WeakPolarHBondContact CG2-OH 3.25Å; T116-V155 WeakPolarHBondContact CB-O 3.45Å; T116-V155 PolarHBondContact OG1-O 2.84Å |
| 117 | C | 93.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 9% | 0.088 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 159.3 | -179.4 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | C128 G129 I158 | C117-C128 WeakPolarHBondContact O-CA 3.48Å; C117-G129 PolarHBondContact O-N 2.68Å; C117-I158 HydrophobicContact CB-CG2 3.93Å |
| 118 | I | 95.3 | Very high | 91.9 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 144 | -175.6 | -170.9 | 170.4 | 0 | 0 | 0 | 110.7 | A82 A84 I90 I126 I127 | A82-I118 HydrophobicContact CB-CD1 3.93Å; A84-I118 HydrophobicContact CB-CB 3.95Å; A84-I118 HydrophobicContact CB-CD1 3.97Å; A84-I118 HydrophobicContact CB-CG2 3.96Å; I90-I118 HydrophobicContact CD1-CD1 4.45Å; I90-I118 HydrophobicContact CG2-CD1 3.85Å; I118-I126 HydrophobicContact CD1-CG2 3.5Å; I118-I126 HydrophobicContact CG1-CG2 3.62Å; I118-I127 CarbonylContact C-O 3.6Å; I118-I127 VanDerWaalsContact CA-O 3.3Å; I118-I127 WeakPolarHBondContact CA-O 3.12Å |
| 119 | A | 93.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 12% | 0.116 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 149.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | I127 I158 | A119-I127 PolarHBondContact N-O 2.91Å; A119-I127 PolarHBondContact O-N 3.33Å; A119-I158 HydrophobicContact CB-CG2 3.96Å |
| 120 | W | 93.4 | Very high | 92 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 14% | 0.144 | 18% | 0.184 | C | C | . | . | trans | -126.2 | 91.7 | 175.1 | -160.8 | -16.1 | 0 | 0 | 0 | 109.8 | A73 K80 A82 V92 Q124 I126 T140 | A73-W120 HydrophobicContact CB-CB 3.64Å; K80-W120 HydrophobicContact CB-CH2 4.11Å; K80-W120 HydrophobicContact CB-CZ3 4.31Å; A82-W120 HydrophobicContact CB-CE3 3.68Å; A82-W120 HydrophobicContact CB-CZ3 3.71Å; V92-W120 HydrophobicContact CG1-CH2 3.97Å; V92-W120 HydrophobicContact CG1-CZ3 4.1Å; W120-Q124 PolarHBondContact NE1-O 2.9Å; W120-Q124 VanDerWaalsContact NE1-O 3.16Å; W120-I126 HydrophobicContact CD2-CD1 4.17Å; W120-I126 HydrophobicContact CD2-CG1 3.43Å; W120-I126 VanDerWaalsContact CD2-CG1 3.43Å; W120-I126 HydrophobicContact CE3-CD1 4.02Å; W120-I126 HydrophobicContact CE3-CG1 3.73Å; W120-I126 HydrophobicContact CG-CG1 3.83Å; W120-I126 HydrophobicContact CH2-CD1 3.92Å; W120-I126 HydrophobicContact CH2-CG1 4.19Å; W120-I126 HydrophobicContact CZ2-CD1 4.07Å; W120-I126 HydrophobicContact CZ2-CG1 3.93Å; W120-I126 HydrophobicContact CZ3-CD1 3.9Å; W120-I126 HydrophobicContact CZ3-CG1 4.1Å; W120-T140 HydrophobicContact CH2-CG2 3.82Å; W120-T140 HydrophobicContact CZ2-CG2 3.59Å | ||
| 121 | P | 88.7 | Confident | 92.1 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | trans | -69.8 | 155.7 | 179.5 | -9.7 | 24.7 | 0 | 0 | 0 | 112 | H123 Q124 P125 I127 A160 G164 F181 | P121-H123 PolarHBondContact O-N 2.92Å; P121-Q124 HydrophobicContact CB-CB 3.98Å; P121-Q124 HydrophobicContact CB-CG 4.4Å; P121-Q124 HydrophobicContact CG-CB 4.3Å; P121-Q124 PolarHBondContact O-N 3.48Å; P121-P125 WeakPolarHBondContact CD-O 2.95Å; P121-I127 HydrophobicContact CG-CG1 4.12Å; P121-A160 HydrophobicContact CB-CB 4.46Å; P121-A160 HydrophobicContact CG-CB 4.42Å; P121-G164 WeakPolarHBondContact CB-O 3.2Å; P121-F181 HydrophobicContact CB-CE2 4.18Å; P121-F181 HydrophobicContact CG-CE2 3.81Å; P121-F181 HydrophobicContact CG-CZ 4.14Å | ||
| 122 | S | 82.7 | Confident | 92.2 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 28% | 0.28 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 128.4 | -176.9 | 49.4 | 0 | 0 | 0 | 0 | 112 | H76 Q124 T163 | H76-S122 WeakPolarHBondContact ND1-CB 3.29Å; S122-Q124 WeakPolarHBondContact O-CG 3.3Å; S122-Q124 PolarHBondContact O-N 3.4Å; S122-Q124 VanDerWaalsContact O-N 3.12Å; S122-T163 PolarHBondContact OG-O 2.73Å |
| 123 | H | 82 | Confident | 92.3 | Very high | 155 Ų | 155 | 24.9 Ų | 24.9 | 72% | 0.718 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 13.6 | -177.1 | -52.1 | -72.7 | 0 | 0 | 0 | 116.1 | H76 P121 | H76-H123 AromaticContact CD2-CE1 3.3Å; H76-H123 PolarHBondContact CD2-CE1 2.75Å; H76-H123 AromaticContact CD2-ND1 3.84Å; H76-H123 AromaticContact CD2-NE2 3.57Å; H76-H123 AromaticContact CE1-NE2 3.8Å; H76-H123 AromaticContact NE2-CE1 3.39Å; H76-H123 PolarHBondContact NE2-CE1 3.43Å; H76-H123 AromaticContact NE2-NE2 3.22Å; H76-H123 PolarHBondContact NE2-NE2 2.92Å; P121-H123 PolarHBondContact O-N 2.92Å |
| 124 | Q | 88 | Confident | 92.5 | Very high | 45 Ų | 45 | 26.3 Ų | 26.3 | 21% | 0.21 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -116.6 | 165.6 | -176.9 | -67.1 | -62.6 | -12.7 | 0 | 0 | 111.8 | W120 P121 S122 F181 | W120-Q124 PolarHBondContact NE1-O 2.9Å; W120-Q124 VanDerWaalsContact NE1-O 3.16Å; P121-Q124 HydrophobicContact CB-CB 3.98Å; P121-Q124 HydrophobicContact CB-CG 4.4Å; P121-Q124 HydrophobicContact CG-CB 4.3Å; P121-Q124 PolarHBondContact O-N 3.48Å; S122-Q124 WeakPolarHBondContact O-CG 3.3Å; S122-Q124 PolarHBondContact O-N 3.4Å; S122-Q124 VanDerWaalsContact O-N 3.12Å; Q124-F181 HydrophobicContact CB-CD2 4.21Å; Q124-F181 HydrophobicContact CB-CE2 4.12Å; Q124-F181 HydrophobicContact CB-CZ 4.38Å; Q124-F181 HydrophobicContact CG-CB 4.4Å; Q124-F181 HydrophobicContact CG-CD2 3.61Å; Q124-F181 HydrophobicContact CG-CE2 4.01Å; Q124-F181 HydrophobicContact CG-CG 3.95Å |
| 125 | P | 92 | Very high | 92.6 | Very high | 26 Ų | 26 | 23.9 Ų | 23.9 | 17% | 0.169 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 162.1 | 175 | 27.7 | -34.9 | 0 | 0 | 0 | 112.1 | P121 I127 A137 A138 N139 | P121-P125 WeakPolarHBondContact CD-O 2.95Å; P125-I127 HydrophobicContact CG-CD1 4.22Å; P125-I127 WeakPolarHBondContact O-CD1 3.26Å; P125-I127 PolarHBondContact O-N 3.33Å; P125-A137 HydrophobicContact CB-CB 4.14Å; P125-A137 HydrophobicContact CG-CB 3.85Å; P125-A138 WeakPolarHBondContact CB-O 3.07Å; P125-N139 HydrophobicContact CB-CB 4.37Å |
| 126 | I | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 125.7 | 174.3 | -63 | 160.5 | 0 | 0 | 0 | 108.5 | A82 V92 F109 I118 W120 A137 A138 T140 | A82-I126 HydrophobicContact CB-CD1 3.73Å; A82-I126 HydrophobicContact CB-CG1 4.26Å; A82-I126 HydrophobicContact CB-CG2 4.47Å; V92-I126 HydrophobicContact CG2-CD1 3.68Å; F109-I126 HydrophobicContact CE2-CD1 4.13Å; I118-I126 HydrophobicContact CD1-CG2 3.5Å; I118-I126 HydrophobicContact CG1-CG2 3.62Å; W120-I126 HydrophobicContact CD2-CD1 4.17Å; W120-I126 HydrophobicContact CD2-CG1 3.43Å; W120-I126 VanDerWaalsContact CD2-CG1 3.43Å; W120-I126 HydrophobicContact CE3-CD1 4.02Å; W120-I126 HydrophobicContact CE3-CG1 3.73Å; W120-I126 HydrophobicContact CG-CG1 3.83Å; W120-I126 HydrophobicContact CH2-CD1 3.92Å; W120-I126 HydrophobicContact CH2-CG1 4.19Å; W120-I126 HydrophobicContact CZ2-CD1 4.07Å; W120-I126 HydrophobicContact CZ2-CG1 3.93Å; W120-I126 HydrophobicContact CZ3-CD1 3.9Å; W120-I126 HydrophobicContact CZ3-CG1 4.1Å; I126-A137 CarbonylContact O-C 3.58Å; I126-A137 WeakPolarHBondContact O-CA 3.41Å; I126-A138 HydrophobicContact CB-CB 4.14Å; I126-A138 PolarHBondContact N-O 2.74Å; I126-A138 PolarHBondContact O-N 3.05Å; I126-T140 HydrophobicContact CD1-CG2 3.78Å; I126-T140 HydrophobicContact CG1-CG2 4.44Å |
| 127 | I | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.3 | 178.5 | -43.7 | -59.6 | 0 | 0 | 0 | 109.3 | I118 A119 P121 P125 V135 R136 A137 I148 I158 F167 F181 | I118-I127 CarbonylContact C-O 3.6Å; I118-I127 VanDerWaalsContact CA-O 3.3Å; I118-I127 WeakPolarHBondContact CA-O 3.12Å; A119-I127 PolarHBondContact N-O 2.91Å; A119-I127 PolarHBondContact O-N 3.33Å; P121-I127 HydrophobicContact CG-CG1 4.12Å; P125-I127 HydrophobicContact CG-CD1 4.22Å; P125-I127 WeakPolarHBondContact O-CD1 3.26Å; P125-I127 PolarHBondContact O-N 3.33Å; I127-V135 HydrophobicContact CG2-CG1 3.68Å; I127-R136 WeakPolarHBondContact CA-O 3.42Å; I127-A137 HydrophobicContact CD1-CB 4.01Å; I127-I148 HydrophobicContact CD1-CD1 3.92Å; I127-I148 HydrophobicContact CG2-CD1 4.07Å; I127-I158 HydrophobicContact CB-CD1 3.9Å; I127-I158 HydrophobicContact CG2-CD1 3.37Å; I127-F167 HydrophobicContact CD1-CE1 4.38Å; I127-F167 HydrophobicContact CG1-CD1 4.3Å; I127-F167 HydrophobicContact CG1-CE1 4.32Å; I127-F167 HydrophobicContact CG2-CD1 4.44Å; I127-F167 HydrophobicContact CG2-CD2 4.41Å; I127-F167 HydrophobicContact CG2-CE1 4.05Å; I127-F167 HydrophobicContact CG2-CE2 4.06Å; I127-F167 HydrophobicContact CG2-CZ 3.87Å; I127-F181 HydrophobicContact CD1-CE1 3.68Å; I127-F181 HydrophobicContact CD1-CZ 3.46Å; I127-F181 VanDerWaalsContact CD1-CZ 3.46Å; I127-F181 HydrophobicContact CG1-CE1 4.47Å; I127-F181 HydrophobicContact CG1-CZ 3.77Å |
| 128 | C | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139.6 | 178.3 | 62 | 0 | 0 | 0 | 0 | 112.2 | I90 V115 C117 V135 R136 | I90-C128 HydrophobicContact CD1-CB 3.61Å; I90-C128 VanDerWaalsContact CD1-SG 3.57Å; V115-C128 HydrophobicContact CG1-CB 3.82Å; C117-C128 WeakPolarHBondContact O-CA 3.48Å; C128-V135 WeakPolarHBondContact O-CA 3.34Å; C128-R136 PolarHBondContact N-O 3.18Å; C128-R136 PolarHBondContact O-N 3.45Å |
| 129 | G | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 140.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T116 C117 | T116-G129 PolarHBondContact N-O 2.89Å; T116-G129 PolarHBondContact OG1-O 2.73Å; T116-G129 VanDerWaalsContact OG1-O 3.14Å; C117-G129 PolarHBondContact O-N 2.68Å |
| 130 | L | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 156.6 | 177.9 | -61.3 | -172.8 | 0 | 0 | 0 | 111.6 | Q111 C113 P114 V115 D132 G133 K134 R136 V155 | Q111-L130 HydrophobicContact CB-CD2 4.09Å; Q111-L130 HydrophobicContact CG-CD2 4.14Å; C113-L130 HydrophobicContact CB-CB 4.48Å; P114-L130 WeakPolarHBondContact O-CA 3.43Å; V115-L130 HydrophobicContact CB-CD2 4.41Å; V115-L130 HydrophobicContact CG2-CD2 3.88Å; L130-D132 WeakPolarHBondContact CB-OD1 3.05Å; L130-D132 PolarHBondContact O-N 3.12Å; L130-G133 PolarHBondContact O-N 3.36Å; L130-G133 VanDerWaalsContact O-N 3.08Å; L130-K134 HydrophobicContact CB-CB 4.45Å; L130-K134 WeakPolarHBondContact CB-O 3.17Å; L130-K134 HydrophobicContact CD1-CB 4.19Å; L130-K134 PolarHBondContact N-O 3.31Å; L130-R136 HydrophobicContact CD1-CG 4.12Å; L130-V155 WeakPolarHBondContact O-CG2 3.49Å; L130-V155 PolarHBondContact O-N 2.59Å |
| 131 | A | 94 | Very high | 92.1 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 25% | 0.248 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P114 T116 G133 Y154 | P114-A131 HydrophobicContact CB-CB 4.33Å; P114-A131 PolarHBondContact O-N 3.21Å; T116-A131 HydrophobicContact CG2-CB 4.08Å; A131-G133 VanDerWaalsContact C-N 3.26Å; A131-G133 PolarHBondContact O-N 2.71Å; A131-Y154 HydrophobicContact CB-CD2 3.78Å; A131-Y154 HydrophobicContact CB-CE2 3.55Å; A131-Y154 WeakPolarHBondContact O-CD2 3.37Å |
| 132 | D | 93.2 | Very high | 92.1 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 24% | 0.241 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.3 | 176.5 | 71 | -19.3 | 0 | 0 | 0 | 113.6 | C113 L130 K134 | C113-D132 HydrophobicContact CB-CB 4.31Å; L130-D132 WeakPolarHBondContact CB-OD1 3.05Å; L130-D132 PolarHBondContact O-N 3.12Å; D132-K134 WeakPolarHBondContact OD1-CB 3.45Å; D132-K134 PolarHBondContact OD1-N 3.12Å; D132-K134 WeakPolarHBondContact OD2-CD 3.4Å; D132-K134 IonicContact OD2-NZ 2.7Å; D132-K134 PolarHBondContact OD2-NZ 2.78Å |
| 133 | G | 92.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 88.2 | 1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L130 A131 N150 A151 S153 | L130-G133 PolarHBondContact O-N 3.36Å; L130-G133 VanDerWaalsContact O-N 3.08Å; A131-G133 VanDerWaalsContact C-N 3.26Å; A131-G133 PolarHBondContact O-N 2.71Å; G133-N150 PolarHBondContact O-OD1 3.17Å; G133-A151 PolarHBondContact O-N 3.45Å; G133-S153 WeakPolarHBondContact CA-O 3.42Å |
| 134 | K | 95.2 | Very high | 92.8 | Very high | 62 Ų | 62 | 41.5 Ų | 41.5 | 27% | 0.27 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 138.8 | 173 | -66.7 | -174.3 | -175.1 | 106.1 | 0 | 111.4 | L130 D132 R136 T147 N150 | L130-K134 HydrophobicContact CB-CB 4.45Å; L130-K134 WeakPolarHBondContact CB-O 3.17Å; L130-K134 HydrophobicContact CD1-CB 4.19Å; L130-K134 PolarHBondContact N-O 3.31Å; D132-K134 WeakPolarHBondContact OD1-CB 3.45Å; D132-K134 PolarHBondContact OD1-N 3.12Å; D132-K134 WeakPolarHBondContact OD2-CD 3.4Å; D132-K134 IonicContact OD2-NZ 2.7Å; D132-K134 PolarHBondContact OD2-NZ 2.78Å; K134-R136 HydrophobicContact CB-CG 4.4Å; K134-T147 HydrophobicContact CB-CG2 4.33Å; K134-T147 HydrophobicContact CD-CG2 4.28Å; K134-T147 HydrophobicContact CG-CG2 4.37Å; K134-N150 HydrophobicContact CG-CB 4.07Å |
| 135 | V | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.5 | 166.6 | -179 | 0 | 0 | 0 | 0 | 108.4 | I127 C128 I148 Y149 V155 I158 F167 | I127-V135 HydrophobicContact CG2-CG1 3.68Å; C128-V135 WeakPolarHBondContact O-CA 3.34Å; V135-I148 HydrophobicContact CG1-CD1 4.26Å; V135-I148 PolarHBondContact O-N 2.92Å; V135-Y149 HydrophobicContact CB-CE1 4.1Å; V135-Y149 HydrophobicContact CB-CE2 4.11Å; V135-Y149 HydrophobicContact CG1-CE1 4.38Å; V135-Y149 HydrophobicContact CG2-CE1 4.37Å; V135-Y149 HydrophobicContact CG2-CE2 3.7Å; V135-Y149 PolarHBondContact N-O 3.11Å; V135-V155 HydrophobicContact CG2-CG1 4.42Å; V135-V155 HydrophobicContact CG2-CG2 3.97Å; V135-I158 HydrophobicContact CG1-CD1 4.47Å; V135-F167 HydrophobicContact CG1-CE2 3.87Å; V135-F167 HydrophobicContact CG1-CZ 3.98Å |
| 136 | R | 94.9 | Very high | 93 | Very high | 35 Ų | 35 | 42.9 Ų | 42.9 | 13% | 0.132 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147 | -172.5 | -60.2 | -171.9 | 72.9 | -164.1 | 1.3 | 111.9 | I127 C128 L130 K134 S145 S146 | I127-R136 WeakPolarHBondContact CA-O 3.42Å; C128-R136 PolarHBondContact N-O 3.18Å; C128-R136 PolarHBondContact O-N 3.45Å; L130-R136 HydrophobicContact CD1-CG 4.12Å; K134-R136 HydrophobicContact CB-CG 4.4Å; R136-S145 PolarHBondContact NH2-O 3.1Å; R136-S145 PolarHBondContact NH2-OG 3.38Å; R136-S146 CarbonylContact C-O 3.51Å; R136-S146 WeakPolarHBondContact CA-O 3.33Å; R136-S146 WeakPolarHBondContact CB-O 3.29Å |
| 137 | A | 94.5 | Very high | 93 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P125 I126 I127 S145 S146 I148 | P125-A137 HydrophobicContact CB-CB 4.14Å; P125-A137 HydrophobicContact CG-CB 3.85Å; I126-A137 CarbonylContact O-C 3.58Å; I126-A137 WeakPolarHBondContact O-CA 3.41Å; I127-A137 HydrophobicContact CD1-CB 4.01Å; A137-S145 CarbonylContact O-C 3.59Å; A137-S145 VanDerWaalsContact O-CA 3.32Å; A137-S145 WeakPolarHBondContact O-CA 3.42Å; A137-S146 PolarHBondContact N-O 3.3Å; A137-S146 PolarHBondContact O-N 3.36Å; A137-S146 PolarHBondContact O-OG 3.33Å; A137-I148 HydrophobicContact CB-CD1 3.96Å; A137-I148 HydrophobicContact CB-CG1 3.97Å |
| 138 | A | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 110.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F109 P125 I126 | F109-A138 HydrophobicContact CB-CB 4.29Å; F109-A138 HydrophobicContact CD1-CB 3.8Å; F109-A138 HydrophobicContact CD2-CB 3.87Å; F109-A138 HydrophobicContact CE1-CB 3.95Å; F109-A138 HydrophobicContact CE2-CB 4.04Å; F109-A138 HydrophobicContact CG-CB 3.73Å; F109-A138 HydrophobicContact CZ-CB 4.07Å; P125-A138 WeakPolarHBondContact CB-O 3.07Å; I126-A138 HydrophobicContact CB-CB 4.14Å; I126-A138 PolarHBondContact N-O 2.74Å; I126-A138 PolarHBondContact O-N 3.05Å |
| 139 | N | 91.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 117.7 | -175.3 | -175.1 | -35.6 | 0 | 0 | 0 | 110.5 | F109 P125 R141 T142 N143 K144 | F109-N139 WeakPolarHBondContact CE1-O 3.38Å; F109-N139 WeakPolarHBondContact CZ-O 3.36Å; P125-N139 HydrophobicContact CB-CB 4.37Å; N139-R141 VanDerWaalsContact C-N 3.34Å; N139-R141 PolarHBondContact O-N 3.45Å; N139-R141 WeakPolarHBondContact OD1-CB 3.21Å; N139-R141 PolarHBondContact OD1-N 3.4Å; N139-T142 WeakPolarHBondContact CB-OG1 3.42Å; N139-T142 PolarHBondContact OD1-N 3.27Å; N139-N143 VanDerWaalsContact O-CA 3.3Å; N139-N143 WeakPolarHBondContact O-CA 3.27Å; N139-N143 PolarHBondContact O-N 2.96Å; N139-K144 PolarHBondContact N-O 2.96Å |
| 140 | T | 89.3 | Confident | 92.6 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 23% | 0.233 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -24.6 | -178.2 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | N107 F109 W120 I126 | N107-T140 PolarHBondContact ND2-O 2.73Å; F109-T140 HydrophobicContact CE2-CG2 4.39Å; F109-T140 HydrophobicContact CZ-CG2 4.31Å; W120-T140 HydrophobicContact CH2-CG2 3.82Å; W120-T140 HydrophobicContact CZ2-CG2 3.59Å; I126-T140 HydrophobicContact CD1-CG2 3.78Å; I126-T140 HydrophobicContact CG1-CG2 4.44Å |
| 141 | R | 88.3 | Confident | 92.4 | Very high | 222 Ų | 222 | 53.9 Ų | 53.9 | 84% | 0.838 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -42.7 | 177.1 | -176.5 | 175.6 | 65.6 | 170.4 | -1 | 111.4 | N139 | N139-R141 VanDerWaalsContact C-N 3.34Å; N139-R141 PolarHBondContact O-N 3.45Å; N139-R141 WeakPolarHBondContact OD1-CB 3.21Å; N139-R141 PolarHBondContact OD1-N 3.4Å |
| 142 | T | 89.3 | Confident | 92.1 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 43% | 0.429 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -11.3 | -178.5 | 63.9 | 0 | 0 | 0 | 0 | 113.4 | N139 K144 | N139-T142 WeakPolarHBondContact CB-OG1 3.42Å; N139-T142 PolarHBondContact OD1-N 3.27Å; T142-K144 PolarHBondContact O-N 3.4Å |
| 143 | N | 89.6 | Confident | 92.1 | Very high | 82 Ų | 82 | 57.7 Ų | 57.7 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 31.3 | -173.4 | -155.6 | 34.8 | 0 | 0 | 0 | 113 | N107 N139 | N107-N143 WeakPolarHBondContact CB-OD1 3.38Å; N107-N143 PolarHBondContact ND2-OD1 3.1Å; N139-N143 VanDerWaalsContact O-CA 3.3Å; N139-N143 WeakPolarHBondContact O-CA 3.27Å; N139-N143 PolarHBondContact O-N 2.96Å |
| 144 | K | 91.1 | Very high | 92.2 | Very high | 155 Ų | 155 | 61.8 Ų | 61.8 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149.2 | 179.3 | -69.2 | 179.5 | -178.3 | -178 | 0 | 111.3 | N139 T142 | N139-K144 PolarHBondContact N-O 2.96Å; T142-K144 PolarHBondContact O-N 3.4Å |
| 145 | S | 90.3 | Very high | 92.2 | Very high | 31 Ų | 31 | 58.9 Ų | 58.9 | 22% | 0.217 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.1 | 173.6 | 57.2 | 0 | 0 | 0 | 0 | 111.6 | R136 A137 | R136-S145 PolarHBondContact NH2-O 3.1Å; R136-S145 PolarHBondContact NH2-OG 3.38Å; A137-S145 CarbonylContact O-C 3.59Å; A137-S145 VanDerWaalsContact O-CA 3.32Å; A137-S145 WeakPolarHBondContact O-CA 3.42Å |
| 146 | S | 93 | Very high | 92.2 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.9 | -178.2 | 59.3 | 0 | 0 | 0 | 0 | 110.3 | R136 A137 | R136-S146 CarbonylContact C-O 3.51Å; R136-S146 WeakPolarHBondContact CA-O 3.33Å; R136-S146 WeakPolarHBondContact CB-O 3.29Å; A137-S146 PolarHBondContact N-O 3.3Å; A137-S146 PolarHBondContact O-N 3.36Å; A137-S146 PolarHBondContact O-OG 3.33Å |
| 147 | T | 94.2 | Very high | 92.2 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.9 | 176.2 | -55.4 | 0 | 0 | 0 | 0 | 109.2 | K134 Y149 | K134-T147 HydrophobicContact CB-CG2 4.33Å; K134-T147 HydrophobicContact CD-CG2 4.28Å; K134-T147 HydrophobicContact CG-CG2 4.37Å; T147-Y149 WeakPolarHBondContact CG2-O 3.22Å |
| 148 | I | 93.4 | Very high | 92.2 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -53 | 177.1 | -52.9 | 178 | 0 | 0 | 0 | 109.1 | I127 V135 A137 F167 Y179 | I127-I148 HydrophobicContact CD1-CD1 3.92Å; I127-I148 HydrophobicContact CG2-CD1 4.07Å; V135-I148 HydrophobicContact CG1-CD1 4.26Å; V135-I148 PolarHBondContact O-N 2.92Å; A137-I148 HydrophobicContact CB-CD1 3.96Å; A137-I148 HydrophobicContact CB-CG1 3.97Å; I148-F167 HydrophobicContact CD1-CE1 3.86Å; I148-F167 HydrophobicContact CD1-CZ 3.69Å; I148-Y179 HydrophobicContact CG2-CD1 4.19Å; I148-Y179 HydrophobicContact CG2-CD2 3.58Å; I148-Y179 HydrophobicContact CG2-CE1 3.86Å; I148-Y179 HydrophobicContact CG2-CE2 3.19Å; I148-Y179 HydrophobicContact CG2-CG 4.07Å |
| 149 | Y | 93.5 | Very high | 92.2 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 17% | 0.165 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 170.6 | 171.9 | 61.6 | -94.1 | 0 | 0 | 0 | 110.4 | V135 T147 A151 F167 S169 I177 Y179 | V135-Y149 HydrophobicContact CB-CE1 4.1Å; V135-Y149 HydrophobicContact CB-CE2 4.11Å; V135-Y149 HydrophobicContact CG1-CE1 4.38Å; V135-Y149 HydrophobicContact CG2-CE1 4.37Å; V135-Y149 HydrophobicContact CG2-CE2 3.7Å; V135-Y149 PolarHBondContact N-O 3.11Å; T147-Y149 WeakPolarHBondContact CG2-O 3.22Å; Y149-A151 HydrophobicContact CE2-CB 4.46Å; Y149-F167 HydrophobicContact CE1-CE2 4.23Å; Y149-F167 HydrophobicContact CE1-CZ 4.2Å; Y149-S169 VanDerWaalsContact OH-CB 3.24Å; Y149-S169 WeakPolarHBondContact OH-CB 3.47Å; Y149-S169 PolarHBondContact OH-OG 3.42Å; Y149-I177 HydrophobicContact CD2-CD1 4.43Å; Y149-I177 HydrophobicContact CE1-CG2 4.28Å; Y149-I177 HydrophobicContact CE2-CB 4.42Å; Y149-I177 HydrophobicContact CE2-CD1 3.89Å; Y149-I177 HydrophobicContact CE2-CG2 4.09Å; Y149-Y179 HydrophobicContact CD1-CD2 4.35Å; Y149-Y179 HydrophobicContact CE1-CD2 4.49Å |
| 150 | N | 93 | Very high | 92.1 | Very high | 68 Ų | 68 | 59.3 Ų | 59.3 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.7 | 174.1 | -174.7 | 16.6 | 0 | 0 | 0 | 109.1 | G133 K134 D152 | G133-N150 PolarHBondContact O-OD1 3.17Å; K134-N150 HydrophobicContact CG-CB 4.07Å; N150-D152 VanDerWaalsContact CG-OD1 3.27Å; N150-D152 PolarHBondContact ND2-OD1 2.58Å; N150-D152 PolarHBondContact OD1-N 3.28Å; N150-D152 VanDerWaalsContact OD1-N 3.15Å; N150-D152 PolarHBondContact OD1-OD1 3.4Å |
| 151 | A | 89.2 | Confident | 92 | Very high | 12 Ų | 12 | 58.2 Ų | 58.2 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | trans | -104.8 | -1.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G133 Y149 S153 H171 I177 | G133-A151 PolarHBondContact O-N 3.45Å; Y149-A151 HydrophobicContact CE2-CB 4.46Å; A151-S153 PolarHBondContact O-N 2.83Å; A151-H171 WeakPolarHBondContact CB-CE1 3.33Å; A151-H171 WeakPolarHBondContact CB-ND1 3.47Å; A151-I177 HydrophobicContact CB-CD1 3.86Å | ||
| 152 | D | 88.7 | Confident | 91.7 | Very high | 135 Ų | 135 | 50.7 Ų | 50.7 | 72% | 0.722 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 54.6 | 18.9 | -178.3 | -58.1 | -41.8 | 0 | 0 | 0 | 114.6 | N150 | N150-D152 VanDerWaalsContact CG-OD1 3.27Å; N150-D152 PolarHBondContact ND2-OD1 2.58Å; N150-D152 PolarHBondContact OD1-N 3.28Å; N150-D152 VanDerWaalsContact OD1-N 3.15Å; N150-D152 PolarHBondContact OD1-OD1 3.4Å |
| 153 | S | 93.2 | Very high | 91.2 | Very high | 19 Ų | 19 | 51 Ų | 51 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -140.5 | 136.7 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | G133 A151 V155 H171 D173 | G133-S153 WeakPolarHBondContact CA-O 3.42Å; A151-S153 PolarHBondContact O-N 2.83Å; S153-V155 PolarHBondContact O-N 2.98Å; S153-H171 PolarHBondContact O-ND1 3.32Å; S153-H171 VanDerWaalsContact O-ND1 3.1Å; S153-D173 PolarHBondContact OG-N 3.04Å |
| 154 | Y | 94.4 | Very high | 90.8 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | trans | -44.8 | 121.6 | -175.4 | -174.5 | -82.5 | 0 | 0 | 0 | 111.5 | R70 T116 A131 V156 H171 A172 | R70-Y154 PolarHBondContact NH2-OH 3.28Å; T116-Y154 HydrophobicContact CG2-CD2 4.49Å; T116-Y154 HydrophobicContact CG2-CE1 3.77Å; T116-Y154 HydrophobicContact CG2-CE2 3.75Å; T116-Y154 VanDerWaalsContact CG2-OH 3.3Å; T116-Y154 WeakPolarHBondContact CG2-OH 3.25Å; A131-Y154 HydrophobicContact CB-CD2 3.78Å; A131-Y154 HydrophobicContact CB-CE2 3.55Å; A131-Y154 WeakPolarHBondContact O-CD2 3.37Å; Y154-V156 HydrophobicContact CD1-CG2 3.94Å; Y154-V156 PolarHBondContact O-N 3.24Å; Y154-H171 CarbonylContact O-C 3.58Å; Y154-H171 WeakPolarHBondContact O-CA 3.41Å; Y154-A172 PolarHBondContact O-N 2.89Å | ||
| 155 | V | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.5 | 178.5 | -168.8 | 0 | 0 | 0 | 0 | 108.6 | T116 L130 V135 S153 | T116-V155 WeakPolarHBondContact CB-O 3.45Å; T116-V155 PolarHBondContact OG1-O 2.84Å; L130-V155 WeakPolarHBondContact O-CG2 3.49Å; L130-V155 PolarHBondContact O-N 2.59Å; V135-V155 HydrophobicContact CG2-CG1 4.42Å; V135-V155 HydrophobicContact CG2-CG2 3.97Å; S153-V155 PolarHBondContact O-N 2.98Å |
| 156 | V | 94.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -41.3 | -174 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | Y154 G170 A172 A199 Y201 | Y154-V156 HydrophobicContact CD1-CG2 3.94Å; Y154-V156 PolarHBondContact O-N 3.24Å; V156-G170 PolarHBondContact N-O 3.48Å; V156-A172 HydrophobicContact CG2-CB 3.95Å; V156-A199 HydrophobicContact CG2-CB 4.35Å; V156-Y201 HydrophobicContact CG1-CD1 3.14Å; V156-Y201 HydrophobicContact CG1-CE1 3.44Å; V156-Y201 VanDerWaalsContact CG1-CE1 3.44Å; V156-Y201 HydrophobicContact CG1-CG 3.85Å |
| 157 | S | 94.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 156.2 | -173.4 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | S169 G170 P200 L203 | S157-S169 WeakPolarHBondContact O-CA 3.32Å; S157-G170 PolarHBondContact N-O 3.09Å; S157-G170 PolarHBondContact O-N 3.13Å; S157-P200 WeakPolarHBondContact CB-O 3.3Å; S157-P200 PolarHBondContact OG-O 3.09Å; S157-L203 VanDerWaalsContact OG-CB 3.23Å; S157-L203 WeakPolarHBondContact OG-CB 3.43Å; S157-L203 WeakPolarHBondContact OG-CD2 3.36Å |
| 158 | I | 95.1 | Very high | 90.5 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 138.4 | 174.2 | -161.7 | 171.1 | 0 | 0 | 0 | 109.2 | C117 A119 I127 V135 F167 I168 | C117-I158 HydrophobicContact CB-CG2 3.93Å; A119-I158 HydrophobicContact CB-CG2 3.96Å; I127-I158 HydrophobicContact CB-CD1 3.9Å; I127-I158 HydrophobicContact CG2-CD1 3.37Å; V135-I158 HydrophobicContact CG1-CD1 4.47Å; I158-F167 HydrophobicContact CD1-CD2 3.82Å; I158-F167 HydrophobicContact CD1-CE2 4.11Å; I158-F167 HydrophobicContact CG1-CD2 3.93Å; I158-I168 WeakPolarHBondContact CA-O 3.43Å; I158-I168 WeakPolarHBondContact CG1-O 3.12Å |
| 159 | S | 93.7 | Very high | 90.6 | Very high | 19 Ų | 19 | 34 Ų | 34 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 129.2 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | F167 I168 W205 | S159-F167 CarbonylContact O-C 3.54Å; S159-F167 VanDerWaalsContact O-CA 3.27Å; S159-F167 WeakPolarHBondContact O-CA 3.15Å; S159-F167 WeakPolarHBondContact O-CB 3.46Å; S159-I168 PolarHBondContact N-O 2.7Å; S159-I168 WeakPolarHBondContact O-CG1 3.35Å; S159-I168 PolarHBondContact O-N 3.06Å; S159-W205 PolarHBondContact OG-N 3.2Å |
| 160 | A | 90.8 | Very high | 90.7 | Very high | 31 Ų | 31 | 32 Ų | 32 | 26% | 0.256 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 158.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P121 G166 | P121-A160 HydrophobicContact CB-CB 4.46Å; P121-A160 HydrophobicContact CG-CB 4.42Å; A160-G166 WeakPolarHBondContact CA-O 3.29Å |
| 161 | N | 86.8 | Confident | 90.9 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | trans | -77.3 | 168.2 | 166.1 | 71.7 | -12 | 0 | 0 | 0 | 110.9 | T163 G164 K165 G166 D184 W205 | N161-T163 VanDerWaalsContact C-N 3.27Å; N161-T163 VanDerWaalsContact CG-OG1 3.25Å; N161-T163 PolarHBondContact ND2-OG1 2.83Å; N161-T163 PolarHBondContact O-N 3.46Å; N161-T163 PolarHBondContact OD1-OG1 3.44Å; N161-G164 PolarHBondContact O-N 3.26Å; N161-G164 VanDerWaalsContact O-N 3.14Å; N161-G164 WeakPolarHBondContact OD1-CA 3.08Å; N161-G164 PolarHBondContact OD1-N 3.28Å; N161-K165 PolarHBondContact OD1-N 2.7Å; N161-G166 VanDerWaalsContact CG-N 3.35Å; N161-G166 PolarHBondContact N-O 2.82Å; N161-G166 PolarHBondContact ND2-N 3.13Å; N161-G166 PolarHBondContact OD1-N 3.27Å; N161-G166 PolarHBondContact OD1-O 2.83Å; N161-D184 PolarHBondContact ND2-OD2 3.38Å; N161-W205 HydrophobicContact CB-CD2 3.6Å; N161-W205 HydrophobicContact CB-CE3 3.58Å; N161-W205 HydrophobicContact CB-CG 4.12Å; N161-W205 HydrophobicContact CB-CH2 4.12Å; N161-W205 HydrophobicContact CB-CZ2 4.15Å; N161-W205 HydrophobicContact CB-CZ3 3.85Å | ||
| 162 | V | 82.5 | Confident | 91.1 | Very high | 64 Ų | 64 | 30.4 Ų | 30.4 | 39% | 0.388 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -33.5 | -177.3 | 175.2 | 0 | 0 | 0 | 0 | 112.6 | G164 P250 | V162-G164 VanDerWaalsContact C-N 3.31Å; V162-P250 WeakPolarHBondContact CG1-O 3.45Å |
| 163 | T | 77.1 | Confident | 91.3 | Very high | 76 Ų | 76 | 26.9 Ų | 26.9 | 47% | 0.466 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -13.7 | 179.6 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | S122 N161 K165 D184 | S122-T163 PolarHBondContact OG-O 2.73Å; N161-T163 VanDerWaalsContact C-N 3.27Å; N161-T163 VanDerWaalsContact CG-OG1 3.25Å; N161-T163 PolarHBondContact ND2-OG1 2.83Å; N161-T163 PolarHBondContact O-N 3.46Å; N161-T163 PolarHBondContact OD1-OG1 3.44Å; T163-K165 PolarHBondContact O-N 2.84Å; T163-K165 PolarHBondContact OG1-N 3.43Å; T163-D184 PolarHBondContact OG1-OD2 3.16Å |
| 164 | G | 81.9 | Confident | 91.3 | Very high | 6 Ų | 6 | 26 Ų | 26 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 71.4 | 7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P121 N161 V162 | P121-G164 WeakPolarHBondContact CB-O 3.2Å; N161-G164 PolarHBondContact O-N 3.26Å; N161-G164 VanDerWaalsContact O-N 3.14Å; N161-G164 WeakPolarHBondContact OD1-CA 3.08Å; N161-G164 PolarHBondContact OD1-N 3.28Å; V162-G164 VanDerWaalsContact C-N 3.31Å |
| 165 | K | 85.4 | Confident | 91.3 | Very high | 85 Ų | 85 | 25 Ų | 25 | 37% | 0.37 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -95.3 | -6.7 | -179.1 | -69.6 | -177.3 | 172 | -171.4 | 0 | 114.1 | N161 T163 F181 D184 | N161-K165 PolarHBondContact OD1-N 2.7Å; T163-K165 PolarHBondContact O-N 2.84Å; T163-K165 PolarHBondContact OG1-N 3.43Å; K165-F181 VanDerWaalsContact O-CD2 3.22Å; K165-F181 WeakPolarHBondContact O-CD2 3.23Å; K165-F181 PolarHBondContact O-N 3.14Å; K165-D184 WeakPolarHBondContact CB-OD1 3.38Å; K165-D184 WeakPolarHBondContact CD-OD1 3.49Å; K165-D184 WeakPolarHBondContact CG-OD1 3.36Å |
| 166 | G | 89 | Confident | 91.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 167.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | A160 N161 Y179 | A160-G166 WeakPolarHBondContact CA-O 3.29Å; N161-G166 VanDerWaalsContact CG-N 3.35Å; N161-G166 PolarHBondContact N-O 2.82Å; N161-G166 PolarHBondContact ND2-N 3.13Å; N161-G166 PolarHBondContact OD1-N 3.27Å; N161-G166 PolarHBondContact OD1-O 2.83Å; G166-Y179 CarbonylContact C-O 3.55Å; G166-Y179 WeakPolarHBondContact CA-O 3.43Å |
| 167 | F | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 160 | 173.5 | 71 | -91.2 | 0 | 0 | 0 | 112.1 | I127 V135 I148 Y149 I158 S159 Y179 F181 | I127-F167 HydrophobicContact CD1-CE1 4.38Å; I127-F167 HydrophobicContact CG1-CD1 4.3Å; I127-F167 HydrophobicContact CG1-CE1 4.32Å; I127-F167 HydrophobicContact CG2-CD1 4.44Å; I127-F167 HydrophobicContact CG2-CD2 4.41Å; I127-F167 HydrophobicContact CG2-CE1 4.05Å; I127-F167 HydrophobicContact CG2-CE2 4.06Å; I127-F167 HydrophobicContact CG2-CZ 3.87Å; V135-F167 HydrophobicContact CG1-CE2 3.87Å; V135-F167 HydrophobicContact CG1-CZ 3.98Å; I148-F167 HydrophobicContact CD1-CE1 3.86Å; I148-F167 HydrophobicContact CD1-CZ 3.69Å; Y149-F167 HydrophobicContact CE1-CE2 4.23Å; Y149-F167 HydrophobicContact CE1-CZ 4.2Å; I158-F167 HydrophobicContact CD1-CD2 3.82Å; I158-F167 HydrophobicContact CD1-CE2 4.11Å; I158-F167 HydrophobicContact CG1-CD2 3.93Å; S159-F167 CarbonylContact O-C 3.54Å; S159-F167 VanDerWaalsContact O-CA 3.27Å; S159-F167 WeakPolarHBondContact O-CA 3.15Å; S159-F167 WeakPolarHBondContact O-CB 3.46Å; F167-Y179 HydrophobicContact CD1-CD1 4.06Å; F167-Y179 AromaticContact CE1-CD1 3.31Å; F167-Y179 HydrophobicContact CE1-CD1 3.31Å; F167-Y179 HydrophobicContact CE1-CE1 4.17Å; F167-Y179 AromaticContact CE1-CG 3.79Å; F167-Y179 HydrophobicContact CE1-CG 3.79Å; F167-Y179 AromaticContact CZ-CD1 3.86Å; F167-Y179 HydrophobicContact CZ-CD1 3.86Å; F167-Y179 AromaticContact CZ-CG 3.87Å; F167-Y179 HydrophobicContact CZ-CG 3.87Å; F167-Y179 PolarHBondContact N-O 3.2Å; F167-Y179 PolarHBondContact O-N 2.95Å; F167-F181 HydrophobicContact CD1-CE1 4.32Å; F167-F181 AromaticContact CD1-CE2 3.87Å; F167-F181 HydrophobicContact CD1-CE2 3.87Å; F167-F181 AromaticContact CD1-CZ 3.52Å; F167-F181 HydrophobicContact CD1-CZ 3.52Å; F167-F181 HydrophobicContact CE1-CE1 4.06Å; F167-F181 HydrophobicContact CE1-CE2 4.42Å; F167-F181 AromaticContact CE1-CZ 3.69Å; F167-F181 HydrophobicContact CE1-CZ 3.69Å |
| 168 | I | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 144.5 | 170.3 | 52.6 | 173.7 | 0 | 0 | 0 | 110.4 | I158 S159 I176 I177 R178 L203 W205 I210 | I158-I168 WeakPolarHBondContact CA-O 3.43Å; I158-I168 WeakPolarHBondContact CG1-O 3.12Å; S159-I168 PolarHBondContact N-O 2.7Å; S159-I168 WeakPolarHBondContact O-CG1 3.35Å; S159-I168 PolarHBondContact O-N 3.06Å; I168-I176 HydrophobicContact CB-CG2 4.46Å; I168-I177 CarbonylContact C-O 3.3Å; I168-I177 WeakPolarHBondContact CA-O 3.16Å; I168-R178 HydrophobicContact CG2-CB 3.98Å; I168-R178 HydrophobicContact CG2-CG 4.22Å; I168-L203 HydrophobicContact CB-CD2 4.47Å; I168-L203 HydrophobicContact CD1-CD1 3.85Å; I168-L203 HydrophobicContact CD1-CD2 3.95Å; I168-L203 HydrophobicContact CD1-CG 3.72Å; I168-L203 HydrophobicContact CG1-CD2 4.05Å; I168-L203 HydrophobicContact CG1-CG 4.29Å; I168-W205 HydrophobicContact CB-CE3 4.26Å; I168-W205 HydrophobicContact CD1-CB 3.8Å; I168-W205 HydrophobicContact CD1-CG 4.43Å; I168-W205 HydrophobicContact CG1-CB 4.17Å; I168-W205 HydrophobicContact CG1-CE3 4.13Å; I168-W205 HydrophobicContact CG2-CD2 4.2Å; I168-W205 HydrophobicContact CG2-CE3 3.53Å; I168-W205 HydrophobicContact CG2-CZ3 3.8Å; I168-I210 HydrophobicContact CD1-CD1 4.48Å; I168-I210 HydrophobicContact CD1-CG1 4.15Å; I168-I210 HydrophobicContact CD1-CG2 3.69Å; I168-I210 HydrophobicContact CG2-CD1 4.1Å |
| 169 | S | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 147.8 | 169.6 | 66.7 | 0 | 0 | 0 | 0 | 110.8 | Y149 S157 H171 I176 I177 | Y149-S169 VanDerWaalsContact OH-CB 3.24Å; Y149-S169 WeakPolarHBondContact OH-CB 3.47Å; Y149-S169 PolarHBondContact OH-OG 3.42Å; S157-S169 WeakPolarHBondContact O-CA 3.32Å; S169-H171 PolarHBondContact OG-NE2 3.39Å; S169-I176 VanDerWaalsContact O-CA 3.29Å; S169-I176 WeakPolarHBondContact O-CA 3.33Å; S169-I177 PolarHBondContact N-O 3.18Å; S169-I177 PolarHBondContact O-N 3.48Å |
| 170 | G | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V156 S157 | V156-G170 PolarHBondContact N-O 3.48Å; S157-G170 PolarHBondContact N-O 3.09Å; S157-G170 PolarHBondContact O-N 3.13Å |
| 171 | H | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 155.8 | -177.2 | -62.1 | -88.9 | 0 | 0 | 0 | 111.7 | A151 S153 Y154 S169 D173 G174 K175 P200 | A151-H171 WeakPolarHBondContact CB-CE1 3.33Å; A151-H171 WeakPolarHBondContact CB-ND1 3.47Å; S153-H171 PolarHBondContact O-ND1 3.32Å; S153-H171 VanDerWaalsContact O-ND1 3.1Å; Y154-H171 CarbonylContact O-C 3.58Å; Y154-H171 WeakPolarHBondContact O-CA 3.41Å; S169-H171 PolarHBondContact OG-NE2 3.39Å; H171-D173 WeakPolarHBondContact CB-OD1 3.26Å; H171-D173 PolarHBondContact O-N 3.27Å; H171-G174 WeakPolarHBondContact O-CA 3.44Å; H171-G174 PolarHBondContact O-N 2.85Å; H171-K175 HydrophobicContact CB-CB 4.25Å; H171-K175 PolarHBondContact CD2-O 2.77Å; H171-K175 PolarHBondContact N-O 3.23Å; H171-P200 VanDerWaalsContact O-CD 3.29Å; H171-P200 WeakPolarHBondContact O-CD 3.21Å |
| 172 | A | 94.3 | Very high | 90.3 | Very high | 47 Ų | 47 | 31 Ų | 31 | 39% | 0.388 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y154 V156 G174 | Y154-A172 PolarHBondContact O-N 2.89Å; V156-A172 HydrophobicContact CG2-CB 3.95Å; A172-G174 PolarHBondContact O-N 3.46Å |
| 173 | D | 93.4 | Very high | 89.6 | Confident | 61 Ų | 61 | 33.9 Ų | 33.9 | 33% | 0.326 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 9.5 | 172.6 | 67.1 | -8.8 | 0 | 0 | 0 | 113.1 | S153 H171 K175 | S153-D173 PolarHBondContact OG-N 3.04Å; H171-D173 WeakPolarHBondContact CB-OD1 3.26Å; H171-D173 PolarHBondContact O-N 3.27Å; D173-K175 VanDerWaalsContact C-N 3.28Å; D173-K175 PolarHBondContact O-N 2.98Å; D173-K175 WeakPolarHBondContact OD1-CB 3.17Å; D173-K175 WeakPolarHBondContact OD1-CG 3.41Å; D173-K175 PolarHBondContact OD1-N 3.34Å; D173-K175 VanDerWaalsContact OD1-N 3.1Å; D173-K175 WeakPolarHBondContact OD2-CD 3.38Å; D173-K175 WeakPolarHBondContact OD2-CE 3.08Å; D173-K175 IonicContact OD2-NZ 2.71Å; D173-K175 PolarHBondContact OD2-NZ 3.45Å |
| 174 | G | 93 | Very high | 88.9 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 82.1 | -6.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H171 A172 I176 T195 H196 T198 | H171-G174 WeakPolarHBondContact O-CA 3.44Å; H171-G174 PolarHBondContact O-N 2.85Å; A172-G174 PolarHBondContact O-N 3.46Å; G174-I176 PolarHBondContact O-N 2.95Å; G174-T195 CarbonylContact O-C 3.57Å; G174-T195 WeakPolarHBondContact O-CA 3.37Å; G174-H196 WeakPolarHBondContact CA-O 3.23Å; G174-H196 WeakPolarHBondContact O-CB 3.47Å; G174-H196 PolarHBondContact O-N 3.09Å; G174-T198 WeakPolarHBondContact CA-O 3.43Å |
| 175 | K | 94.5 | Very high | 87.7 | Confident | 65 Ų | 65 | 35.2 Ų | 35.2 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 135.8 | 179.1 | -68.4 | 175.3 | -171.9 | 138.1 | 0 | 110.8 | H171 D173 | H171-K175 HydrophobicContact CB-CB 4.25Å; H171-K175 PolarHBondContact CD2-O 2.77Å; H171-K175 PolarHBondContact N-O 3.23Å; D173-K175 VanDerWaalsContact C-N 3.28Å; D173-K175 PolarHBondContact O-N 2.98Å; D173-K175 WeakPolarHBondContact OD1-CB 3.17Å; D173-K175 WeakPolarHBondContact OD1-CG 3.41Å; D173-K175 PolarHBondContact OD1-N 3.34Å; D173-K175 VanDerWaalsContact OD1-N 3.1Å; D173-K175 WeakPolarHBondContact OD2-CD 3.38Å; D173-K175 WeakPolarHBondContact OD2-CE 3.08Å; D173-K175 IonicContact OD2-NZ 2.71Å; D173-K175 PolarHBondContact OD2-NZ 3.45Å |
| 176 | I | 95.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.9 | 167.7 | -60.4 | 174.3 | 0 | 0 | 0 | 107.6 | I168 S169 G174 L193 T194 H196 P200 L203 A212 Y222 | I168-I176 HydrophobicContact CB-CG2 4.46Å; S169-I176 VanDerWaalsContact O-CA 3.29Å; S169-I176 WeakPolarHBondContact O-CA 3.33Å; G174-I176 PolarHBondContact O-N 2.95Å; I176-L193 WeakPolarHBondContact O-CB 3.43Å; I176-L193 PolarHBondContact O-N 3.1Å; I176-T194 HydrophobicContact CB-CG2 4.12Å; I176-T194 HydrophobicContact CD1-CG2 3.97Å; I176-T194 HydrophobicContact CG1-CG2 4.39Å; I176-T194 PolarHBondContact N-O 3.02Å; I176-T194 PolarHBondContact O-N 2.98Å; I176-H196 HydrophobicContact CD1-CB 4.18Å; I176-P200 HydrophobicContact CG1-CG 4.26Å; I176-L203 HydrophobicContact CD1-CD1 3.91Å; I176-L203 HydrophobicContact CG1-CD1 4.39Å; I176-L203 HydrophobicContact CG2-CD1 4.38Å; I176-A212 HydrophobicContact CD1-CB 3.83Å; I176-Y222 HydrophobicContact CD1-CD2 4.39Å; I176-Y222 HydrophobicContact CD1-CE2 4.05Å |
| 177 | I | 94.9 | Very high | 85.5 | Confident | 21 Ų | 21 | 36.6 Ų | 36.6 | 11% | 0.108 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.9 | -175.9 | -56.3 | -178.2 | 0 | 0 | 0 | 109.2 | Y149 A151 I168 S169 G191 | Y149-I177 HydrophobicContact CD2-CD1 4.43Å; Y149-I177 HydrophobicContact CE1-CG2 4.28Å; Y149-I177 HydrophobicContact CE2-CB 4.42Å; Y149-I177 HydrophobicContact CE2-CD1 3.89Å; Y149-I177 HydrophobicContact CE2-CG2 4.09Å; A151-I177 HydrophobicContact CB-CD1 3.86Å; I168-I177 CarbonylContact C-O 3.3Å; I168-I177 WeakPolarHBondContact CA-O 3.16Å; S169-I177 PolarHBondContact N-O 3.18Å; S169-I177 PolarHBondContact O-N 3.48Å; I177-G191 WeakPolarHBondContact CA-O 3.44Å |
| 178 | R | 93.5 | Very high | 84.6 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 4% | 0.038 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.8 | 177.7 | 179.7 | 170.5 | 64.3 | -166.2 | -11.5 | 110.9 | I168 F180 D188 A189 G191 W205 R224 | I168-R178 HydrophobicContact CG2-CB 3.98Å; I168-R178 HydrophobicContact CG2-CG 4.22Å; R178-F180 HydrophobicContact CG-CD2 4.4Å; R178-F180 HydrophobicContact CG-CE2 3.92Å; R178-F180 HydrophobicContact CG-CZ 4.34Å; R178-D188 IonicContact CZ-OD2 2.64Å; R178-D188 IonicContact NH1-OD2 2.81Å; R178-D188 PolarHBondContact NH1-OD2 3.01Å; R178-A189 PolarHBondContact NE-O 2.64Å; R178-A189 PolarHBondContact NH2-O 3.37Å; R178-G191 PolarHBondContact N-O 2.92Å; R178-G191 PolarHBondContact O-N 2.9Å; R178-W205 HydrophobicContact CG-CH2 3.62Å; R178-W205 HydrophobicContact CG-CZ2 4.46Å; R178-W205 HydrophobicContact CG-CZ3 3.9Å; R178-R224 PolarHBondContact NH1-O 3.04Å; R178-R224 PolarHBondContact NH2-O 3.39Å |
| 179 | Y | 92.5 | Very high | 83.8 | Confident | 59 Ų | 59 | 41.7 Ų | 41.7 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 140.2 | 176.9 | -173.7 | -86.4 | 0 | 0 | 0 | 111.1 | I148 Y149 G166 F167 F181 Q190 | I148-Y179 HydrophobicContact CG2-CD1 4.19Å; I148-Y179 HydrophobicContact CG2-CD2 3.58Å; I148-Y179 HydrophobicContact CG2-CE1 3.86Å; I148-Y179 HydrophobicContact CG2-CE2 3.19Å; I148-Y179 HydrophobicContact CG2-CG 4.07Å; Y149-Y179 HydrophobicContact CD1-CD2 4.35Å; Y149-Y179 HydrophobicContact CE1-CD2 4.49Å; G166-Y179 CarbonylContact C-O 3.55Å; G166-Y179 WeakPolarHBondContact CA-O 3.43Å; F167-Y179 HydrophobicContact CD1-CD1 4.06Å; F167-Y179 AromaticContact CE1-CD1 3.31Å; F167-Y179 HydrophobicContact CE1-CD1 3.31Å; F167-Y179 HydrophobicContact CE1-CE1 4.17Å; F167-Y179 AromaticContact CE1-CG 3.79Å; F167-Y179 HydrophobicContact CE1-CG 3.79Å; F167-Y179 AromaticContact CZ-CD1 3.86Å; F167-Y179 HydrophobicContact CZ-CD1 3.86Å; F167-Y179 AromaticContact CZ-CG 3.87Å; F167-Y179 HydrophobicContact CZ-CG 3.87Å; F167-Y179 PolarHBondContact N-O 3.2Å; F167-Y179 PolarHBondContact O-N 2.95Å; Y179-F181 HydrophobicContact CD1-CE1 4.45Å; Y179-F181 AromaticContact CE1-CD1 3.98Å; Y179-F181 HydrophobicContact CE1-CD1 3.98Å; Y179-F181 HydrophobicContact CE1-CE1 4.15Å; Y179-Q190 VanDerWaalsContact CD2-CD 3.41Å; Y179-Q190 HydrophobicContact CD2-CG 4.22Å |
| 180 | F | 89.4 | Confident | 83.5 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.2 | 175.7 | -70.3 | -78.2 | 0 | 0 | 0 | 110.5 | R178 D188 Q190 W205 | R178-F180 HydrophobicContact CG-CD2 4.4Å; R178-F180 HydrophobicContact CG-CE2 3.92Å; R178-F180 HydrophobicContact CG-CZ 4.34Å; F180-D188 HydrophobicContact CE2-CB 3.63Å; F180-D188 HydrophobicContact CZ-CB 3.65Å; F180-Q190 PolarHBondContact O-OE1 2.87Å; F180-W205 HydrophobicContact CD1-CH2 4.44Å; F180-W205 AromaticContact CE1-CH2 3.59Å; F180-W205 HydrophobicContact CE1-CH2 3.59Å; F180-W205 HydrophobicContact CE1-CZ2 4.13Å; F180-W205 HydrophobicContact CE2-CH2 4.35Å; F180-W205 AromaticContact CZ-CH2 3.54Å; F180-W205 HydrophobicContact CZ-CH2 3.54Å; F180-W205 AromaticContact CZ-CZ2 3.93Å; F180-W205 HydrophobicContact CZ-CZ2 3.93Å |
| 181 | F | 85.8 | Confident | 83.2 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -81.9 | -43 | 172.3 | -58 | -71.7 | 0 | 0 | 0 | 111.3 | P121 Q124 I127 K165 F167 Y179 | P121-F181 HydrophobicContact CB-CE2 4.18Å; P121-F181 HydrophobicContact CG-CE2 3.81Å; P121-F181 HydrophobicContact CG-CZ 4.14Å; Q124-F181 HydrophobicContact CB-CD2 4.21Å; Q124-F181 HydrophobicContact CB-CE2 4.12Å; Q124-F181 HydrophobicContact CB-CZ 4.38Å; Q124-F181 HydrophobicContact CG-CB 4.4Å; Q124-F181 HydrophobicContact CG-CD2 3.61Å; Q124-F181 HydrophobicContact CG-CE2 4.01Å; Q124-F181 HydrophobicContact CG-CG 3.95Å; I127-F181 HydrophobicContact CD1-CE1 3.68Å; I127-F181 HydrophobicContact CD1-CZ 3.46Å; I127-F181 VanDerWaalsContact CD1-CZ 3.46Å; I127-F181 HydrophobicContact CG1-CE1 4.47Å; I127-F181 HydrophobicContact CG1-CZ 3.77Å; K165-F181 VanDerWaalsContact O-CD2 3.22Å; K165-F181 WeakPolarHBondContact O-CD2 3.23Å; K165-F181 PolarHBondContact O-N 3.14Å; F167-F181 HydrophobicContact CD1-CE1 4.32Å; F167-F181 AromaticContact CD1-CE2 3.87Å; F167-F181 HydrophobicContact CD1-CE2 3.87Å; F167-F181 AromaticContact CD1-CZ 3.52Å; F167-F181 HydrophobicContact CD1-CZ 3.52Å; F167-F181 HydrophobicContact CE1-CE1 4.06Å; F167-F181 HydrophobicContact CE1-CE2 4.42Å; F167-F181 AromaticContact CE1-CZ 3.69Å; F167-F181 HydrophobicContact CE1-CZ 3.69Å; Y179-F181 HydrophobicContact CD1-CE1 4.45Å; Y179-F181 AromaticContact CE1-CD1 3.98Å; Y179-F181 HydrophobicContact CE1-CD1 3.98Å; Y179-F181 HydrophobicContact CE1-CE1 4.15Å |
| 182 | D | 77.4 | Confident | 83 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -134.3 | 160.6 | 178.9 | -64.9 | -47.8 | 0 | 0 | 0 | 109 | D184 | D182-D184 PolarHBondContact O-N 3.39Š|
| 183 | D | 67.4 | Low | 82.8 | Confident | 123 Ų | 123 | 53 Ų | 53 | 66% | 0.658 | 32% | 0.316 | S | S | * | . | trans | -69.3 | 122.6 | 172.8 | -167.2 | -8.3 | 0 | 0 | 0 | 110.2 | G185 | D183-G185 PolarHBondContact O-N 3.16Å; D183-G185 PolarHBondContact OD1-N 2.84Å | ||
| 184 | D | 63.1 | Low | 82.8 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 22% | 0.219 | 31% | 0.309 | C | S | . | . | trans | -78.3 | 0.2 | 176.6 | -79.5 | 18.5 | 0 | 0 | 0 | 112.4 | N161 T163 K165 D182 S186 | N161-D184 PolarHBondContact ND2-OD2 3.38Å; T163-D184 PolarHBondContact OG1-OD2 3.16Å; K165-D184 WeakPolarHBondContact CB-OD1 3.38Å; K165-D184 WeakPolarHBondContact CD-OD1 3.49Å; K165-D184 WeakPolarHBondContact CG-OD1 3.36Å; D182-D184 PolarHBondContact O-N 3.39Å; D184-S186 PolarHBondContact O-N 3.2Å | ||
| 185 | G | 57.2 | Low | 82.9 | Confident | 70 Ų | 70 | 54.6 Ų | 54.6 | 72% | 0.722 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 72.6 | 10.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D183 | D183-G185 PolarHBondContact O-N 3.16Å; D183-G185 PolarHBondContact OD1-N 2.84Å |
| 186 | S | 63.6 | Low | 82.8 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -85.3 | -24 | -178.9 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | D184 D188 | D184-S186 PolarHBondContact O-N 3.2Å; S186-D188 PolarHBondContact O-N 2.81Å; S186-D188 PolarHBondContact OG-N 3.35Å |
| 187 | G | 63 | Low | 82.6 | Confident | 70 Ų | 70 | 55.8 Ų | 55.8 | 72% | 0.722 | 34% | 0.342 | S | S | * | . | trans | 71.5 | 12.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 188 | D | 75.7 | Confident | 82.5 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 134.8 | -176.6 | -82.2 | -3.1 | 0 | 0 | 0 | 112.6 | R178 F180 S186 | R178-D188 IonicContact CZ-OD2 2.64Å; R178-D188 IonicContact NH1-OD2 2.81Å; R178-D188 PolarHBondContact NH1-OD2 3.01Å; F180-D188 HydrophobicContact CE2-CB 3.63Å; F180-D188 HydrophobicContact CZ-CB 3.65Å; S186-D188 PolarHBondContact O-N 2.81Å; S186-D188 PolarHBondContact OG-N 3.35Å |
| 189 | A | 78.4 | Confident | 82.5 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 60% | 0.603 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 136.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R178 | R178-A189 PolarHBondContact NE-O 2.64Å; R178-A189 PolarHBondContact NH2-O 3.37Å |
| 190 | Q | 87.6 | Confident | 82.5 | Confident | 108 Ų | 108 | 53.4 Ų | 53.4 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 146.4 | 171.5 | 172.5 | 163.3 | -51.3 | 0 | 0 | 111.8 | Y179 F180 | Y179-Q190 VanDerWaalsContact CD2-CD 3.41Å; Y179-Q190 HydrophobicContact CD2-CG 4.22Å; F180-Q190 PolarHBondContact O-OE1 2.87Å |
| 191 | G | 90.1 | Very high | 82.7 | Confident | 27 Ų | 27 | 58 Ų | 58 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.6 | -160.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | I177 R178 L193 | I177-G191 WeakPolarHBondContact CA-O 3.44Å; R178-G191 PolarHBondContact N-O 2.92Å; R178-G191 PolarHBondContact O-N 2.9Å; G191-L193 PolarHBondContact O-N 3.28Å |
| 192 | K | 92 | Very high | 83.1 | Confident | 126 Ų | 126 | 56 Ų | 56 | 55% | 0.548 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 118.6 | 175 | -179.5 | -172.4 | 173.7 | -176 | 0 | 109 | T195 | K192-T195 WeakPolarHBondContact CE-OG1 3.37Å; K192-T195 PolarHBondContact NZ-OG1 3.29Å |
| 193 | L | 90.8 | Very high | 83.9 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -51.2 | -179 | -175.2 | 73.1 | 0 | 0 | 0 | 111.6 | I176 G191 I210 R224 | I176-L193 WeakPolarHBondContact O-CB 3.43Å; I176-L193 PolarHBondContact O-N 3.1Å; G191-L193 PolarHBondContact O-N 3.28Å; L193-I210 HydrophobicContact CD2-CD1 3.14Å; L193-I210 HydrophobicContact CD2-CG1 4.45Å; L193-R224 WeakPolarHBondContact CD1-O 3.45Å |
| 194 | T | 93.2 | Very high | 85.2 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 17% | 0.166 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 173.7 | -178.2 | -166 | 0 | 0 | 0 | 0 | 111.3 | I176 Y222 G226 | I176-T194 HydrophobicContact CB-CG2 4.12Å; I176-T194 HydrophobicContact CD1-CG2 3.97Å; I176-T194 HydrophobicContact CG1-CG2 4.39Å; I176-T194 PolarHBondContact N-O 3.02Å; I176-T194 PolarHBondContact O-N 2.98Å; T194-Y222 HydrophobicContact CG2-CD1 3.99Å; T194-Y222 HydrophobicContact CG2-CD2 4.08Å; T194-Y222 HydrophobicContact CG2-CE1 3.95Å; T194-Y222 HydrophobicContact CG2-CE2 4.03Å; T194-Y222 HydrophobicContact CG2-CG 4.06Å; T194-G226 WeakPolarHBondContact CB-O 3.36Å; T194-G226 PolarHBondContact OG1-O 3.22Å |
| 195 | T | 94.2 | Very high | 86.5 | Confident | 68 Ų | 68 | 45.1 Ų | 45.1 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 111 | 170.9 | -65.6 | 0 | 0 | 0 | 0 | 108.5 | G174 K192 | G174-T195 CarbonylContact O-C 3.57Å; G174-T195 WeakPolarHBondContact O-CA 3.37Å; K192-T195 WeakPolarHBondContact CE-OG1 3.37Å; K192-T195 PolarHBondContact NZ-OG1 3.29Å |
| 196 | H | 93.2 | Very high | 88 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | trans | -71.2 | 144.9 | 173.7 | -165.7 | 61.9 | 0 | 0 | 0 | 110.6 | G174 I176 T198 A212 Y220 Y222 | G174-H196 WeakPolarHBondContact CA-O 3.23Å; G174-H196 WeakPolarHBondContact O-CB 3.47Å; G174-H196 PolarHBondContact O-N 3.09Å; I176-H196 HydrophobicContact CD1-CB 4.18Å; H196-T198 PolarHBondContact CD2-O 3.43Å; H196-T198 PolarHBondContact O-N 3.19Å; H196-A212 PolarHBondContact CE1-O 3.37Å; H196-Y220 AromaticContact CE1-CD2 3.17Å; H196-Y220 WeakPolarHBondContact CE1-CD2 3.21Å; H196-Y220 AromaticContact CE1-CE2 3.78Å; H196-Y220 AromaticContact CE1-CG 3.68Å; H196-Y220 AromaticContact ND1-CD2 3.89Å; H196-Y222 AromaticContact ND1-CE2 3.87Å; H196-Y222 AromaticContact ND1-CZ 3.87Å; H196-Y222 PolarHBondContact ND1-OH 2.99Å | ||
| 197 | P | 91.6 | Very high | 88.8 | Confident | 86 Ų | 86 | 41.4 Ų | 41.4 | 56% | 0.558 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -64.7 | -25.3 | -177.2 | -25.8 | 37.9 | 0 | 0 | 0 | 114.6 | Y220 | P197-Y220 HydrophobicContact CG-CE1 3.97Å; P197-Y220 HydrophobicContact CG-CE2 4.33Å |
| 198 | T | 92.1 | Very high | 89.6 | Confident | 28 Ų | 28 | 40.1 Ų | 40.1 | 17% | 0.172 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -127.4 | 176.7 | 178.4 | 60.1 | 0 | 0 | 0 | 0 | 110 | G174 H196 P200 D216 | G174-T198 WeakPolarHBondContact CA-O 3.43Å; H196-T198 PolarHBondContact CD2-O 3.43Å; H196-T198 PolarHBondContact O-N 3.19Å; T198-P200 WeakPolarHBondContact O-CD 3.34Å; T198-D216 HydrophobicContact CG2-CB 3.78Å; T198-D216 PolarHBondContact OG1-OD1 2.8Å |
| 199 | A | 93.4 | Very high | 90.3 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 11% | 0.107 | 23% | 0.229 | C | C | . | . | trans | -67 | 122 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V156 Y201 G214 | V156-A199 HydrophobicContact CG2-CB 4.35Å; A199-Y201 VanDerWaalsContact C-N 3.28Å; A199-Y201 HydrophobicContact CB-CD2 4.2Å; A199-Y201 HydrophobicContact CB-CE2 3.71Å; A199-Y201 VanDerWaalsContact O-CD2 3.27Å; A199-Y201 WeakPolarHBondContact O-CD2 3.27Å; A199-Y201 PolarHBondContact O-N 3.29Å; A199-G214 WeakPolarHBondContact O-CA 3.23Å | ||
| 200 | P | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -79 | 74.4 | -176 | 33.7 | -36.8 | 0 | 0 | 0 | 111 | S157 H171 I176 T198 A202 A212 A213 | S157-P200 WeakPolarHBondContact CB-O 3.3Å; S157-P200 PolarHBondContact OG-O 3.09Å; H171-P200 VanDerWaalsContact O-CD 3.29Å; H171-P200 WeakPolarHBondContact O-CD 3.21Å; I176-P200 HydrophobicContact CG1-CG 4.26Å; T198-P200 WeakPolarHBondContact O-CD 3.34Å; P200-A202 VanDerWaalsContact C-N 3.27Å; P200-A202 PolarHBondContact O-N 3.28Å; P200-A212 HydrophobicContact CB-CB 4.05Å; P200-A213 CarbonylContact C-O 3.55Å | ||
| 201 | Y | 92.3 | Very high | 91.4 | Very high | 120 Ų | 120 | 30.3 Ų | 30.3 | 47% | 0.471 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -59.8 | -39.1 | 177.4 | -69.8 | -74.3 | 0 | 0 | 0 | 112.1 | V156 A199 A213 | V156-Y201 HydrophobicContact CG1-CD1 3.14Å; V156-Y201 HydrophobicContact CG1-CE1 3.44Å; V156-Y201 VanDerWaalsContact CG1-CE1 3.44Å; V156-Y201 HydrophobicContact CG1-CG 3.85Å; A199-Y201 VanDerWaalsContact C-N 3.28Å; A199-Y201 HydrophobicContact CB-CD2 4.2Å; A199-Y201 HydrophobicContact CB-CE2 3.71Å; A199-Y201 VanDerWaalsContact O-CD2 3.27Å; A199-Y201 WeakPolarHBondContact O-CD2 3.27Å; A199-Y201 PolarHBondContact O-N 3.29Å; Y201-A213 PolarHBondContact N-O 3.43Å |
| 202 | A | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 97 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P200 A212 A213 F243 A246 F257 | P200-A202 VanDerWaalsContact C-N 3.27Å; P200-A202 PolarHBondContact O-N 3.28Å; A202-A212 CarbonylContact O-C 3.41Å; A202-A212 WeakPolarHBondContact O-CA 3.49Å; A202-A213 HydrophobicContact CB-CB 4.23Å; A202-A213 PolarHBondContact N-O 2.92Å; A202-A213 VanDerWaalsContact N-O 3.08Å; A202-A213 PolarHBondContact O-N 2.88Å; A202-F243 HydrophobicContact CB-CB 4.25Å; A202-A246 HydrophobicContact CB-CB 3.83Å; A202-F257 HydrophobicContact CB-CD1 4.04Å; A202-F257 HydrophobicContact CB-CE1 4.02Å |
| 203 | L | 94.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.4 | -177.5 | -178.5 | 67.2 | 0 | 0 | 0 | 110.7 | S157 I168 I176 I210 L211 A212 | S157-L203 VanDerWaalsContact OG-CB 3.23Å; S157-L203 WeakPolarHBondContact OG-CB 3.43Å; S157-L203 WeakPolarHBondContact OG-CD2 3.36Å; I168-L203 HydrophobicContact CB-CD2 4.47Å; I168-L203 HydrophobicContact CD1-CD1 3.85Å; I168-L203 HydrophobicContact CD1-CD2 3.95Å; I168-L203 HydrophobicContact CD1-CG 3.72Å; I168-L203 HydrophobicContact CG1-CD2 4.05Å; I168-L203 HydrophobicContact CG1-CG 4.29Å; I176-L203 HydrophobicContact CD1-CD1 3.91Å; I176-L203 HydrophobicContact CG1-CD1 4.39Å; I176-L203 HydrophobicContact CG2-CD1 4.38Å; L203-I210 HydrophobicContact CD1-CG2 3.97Å; L203-L211 WeakPolarHBondContact CA-O 3.33Å; L203-A212 HydrophobicContact CD1-CB 3.91Å |
| 204 | T | 94.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 149.6 | 173.4 | -160.7 | 0 | 0 | 0 | 0 | 113.5 | I210 L211 A246 C248 V255 | T204-I210 WeakPolarHBondContact O-CA 3.32Å; T204-L211 HydrophobicContact CG2-CB 4.11Å; T204-L211 HydrophobicContact CG2-CD1 4.49Å; T204-L211 PolarHBondContact N-O 3.33Å; T204-L211 PolarHBondContact O-N 2.94Å; T204-A246 HydrophobicContact CG2-CB 4.43Å; T204-C248 HydrophobicContact CG2-CB 4.19Å; T204-C248 WeakPolarHBondContact OG1-CB 3.42Å; T204-C248 PolarHBondContact OG1-N 3.26Å; T204-V255 HydrophobicContact CG2-CB 4.42Å; T204-V255 HydrophobicContact CG2-CG1 3.58Å; T204-V255 HydrophobicContact CG2-CG2 3.88Å |
| 205 | W | 91.7 | Very high | 91.4 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 5% | 0.045 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 105.3 | 174.6 | -164.5 | -19.2 | 0 | 0 | 0 | 109.7 | S159 N161 I168 R178 F180 G207 I210 | S159-W205 PolarHBondContact OG-N 3.2Å; N161-W205 HydrophobicContact CB-CD2 3.6Å; N161-W205 HydrophobicContact CB-CE3 3.58Å; N161-W205 HydrophobicContact CB-CG 4.12Å; N161-W205 HydrophobicContact CB-CH2 4.12Å; N161-W205 HydrophobicContact CB-CZ2 4.15Å; N161-W205 HydrophobicContact CB-CZ3 3.85Å; I168-W205 HydrophobicContact CB-CE3 4.26Å; I168-W205 HydrophobicContact CD1-CB 3.8Å; I168-W205 HydrophobicContact CD1-CG 4.43Å; I168-W205 HydrophobicContact CG1-CB 4.17Å; I168-W205 HydrophobicContact CG1-CE3 4.13Å; I168-W205 HydrophobicContact CG2-CD2 4.2Å; I168-W205 HydrophobicContact CG2-CE3 3.53Å; I168-W205 HydrophobicContact CG2-CZ3 3.8Å; R178-W205 HydrophobicContact CG-CH2 3.62Å; R178-W205 HydrophobicContact CG-CZ2 4.46Å; R178-W205 HydrophobicContact CG-CZ3 3.9Å; F180-W205 HydrophobicContact CD1-CH2 4.44Å; F180-W205 AromaticContact CE1-CH2 3.59Å; F180-W205 HydrophobicContact CE1-CH2 3.59Å; F180-W205 HydrophobicContact CE1-CZ2 4.13Å; F180-W205 HydrophobicContact CE2-CH2 4.35Å; F180-W205 AromaticContact CZ-CH2 3.54Å; F180-W205 HydrophobicContact CZ-CH2 3.54Å; F180-W205 AromaticContact CZ-CZ2 3.93Å; F180-W205 HydrophobicContact CZ-CZ2 3.93Å; W205-G207 PolarHBondContact NE1-O 3.49Å; W205-G207 VanDerWaalsContact NE1-O 3.16Å; W205-I210 HydrophobicContact CG-CG1 4.15Å |
| 206 | A | 88.2 | Confident | 91.2 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 88.2 | -175 | 0 | 0 | 0 | 0 | 0 | 110.9 | S208 T209 L211 C248 G252 V255 W275 | A206-S208 PolarHBondContact O-N 2.83Å; A206-S208 VanDerWaalsContact O-N 3.08Å; A206-T209 CarbonylContact C-O 3.42Å; A206-T209 WeakPolarHBondContact CA-O 3.37Å; A206-T209 PolarHBondContact N-O 3.41Å; A206-T209 PolarHBondContact O-N 3.23Å; A206-T209 VanDerWaalsContact O-O 3.13Å; A206-T209 PolarHBondContact O-OG1 2.87Å; A206-L211 HydrophobicContact CB-CD1 3.66Å; A206-C248 HydrophobicContact CB-CB 4.4Å; A206-C248 VanDerWaalsContact CB-SG 3.53Å; A206-G252 CarbonylContact C-O 3.52Å; A206-V255 HydrophobicContact CB-CG2 3.66Å; A206-W275 HydrophobicContact CB-CH2 3.67Å; A206-W275 HydrophobicContact CB-CZ2 3.53Å |
| 207 | G | 79.9 | Confident | 91.1 | Very high | 35 Ų | 35 | 23.9 Ų | 23.9 | 36% | 0.361 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -111.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W205 | W205-G207 PolarHBondContact NE1-O 3.49Å; W205-G207 VanDerWaalsContact NE1-O 3.16Å |
| 208 | S | 80.7 | Confident | 91.2 | Very high | 44 Ų | 44 | 23.5 Ų | 23.5 | 31% | 0.308 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 1.3 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 114.9 | A206 R224 | A206-S208 PolarHBondContact O-N 2.83Å; A206-S208 VanDerWaalsContact O-N 3.08Å; S208-R224 WeakPolarHBondContact O-CG 3.45Å; S208-R224 PolarHBondContact O-N 3.47Å; S208-R224 VanDerWaalsContact O-N 3.15Å |
| 209 | T | 90.7 | Very high | 91.3 | Very high | 7 Ų | 7 | 22.1 Ų | 22.1 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 154.3 | -176.6 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | A206 V221 Y222 W268 W275 | A206-T209 CarbonylContact C-O 3.42Å; A206-T209 WeakPolarHBondContact CA-O 3.37Å; A206-T209 PolarHBondContact N-O 3.41Å; A206-T209 PolarHBondContact O-N 3.23Å; A206-T209 VanDerWaalsContact O-O 3.13Å; A206-T209 PolarHBondContact O-OG1 2.87Å; T209-V221 HydrophobicContact CG2-CG1 4.2Å; T209-Y222 CarbonylContact C-O 3.6Å; T209-Y222 VanDerWaalsContact CA-O 3.23Å; T209-Y222 WeakPolarHBondContact CA-O 3.49Å; T209-Y222 WeakPolarHBondContact CB-O 3.49Å; T209-W268 HydrophobicContact CG2-CZ3 4.35Å; T209-W275 VanDerWaalsContact OG1-CZ2 3.26Å; T209-W275 WeakPolarHBondContact OG1-CZ2 3.43Å; T209-W275 PolarHBondContact OG1-NE1 2.94Å |
| 210 | I | 93.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.4 | 177.1 | -69.8 | 163.6 | 0 | 0 | 0 | 107.3 | I168 L193 L203 T204 W205 Y222 | I168-I210 HydrophobicContact CD1-CD1 4.48Å; I168-I210 HydrophobicContact CD1-CG1 4.15Å; I168-I210 HydrophobicContact CD1-CG2 3.69Å; I168-I210 HydrophobicContact CG2-CD1 4.1Å; L193-I210 HydrophobicContact CD2-CD1 3.14Å; L193-I210 HydrophobicContact CD2-CG1 4.45Å; L203-I210 HydrophobicContact CD1-CG2 3.97Å; T204-I210 WeakPolarHBondContact O-CA 3.32Å; W205-I210 HydrophobicContact CG-CG1 4.15Å; I210-Y222 PolarHBondContact N-O 3.39Å; I210-Y222 PolarHBondContact O-N 3.29Å |
| 211 | L | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.1 | -179 | -63 | 79.6 | 0 | 0 | 0 | 109.1 | L203 T204 A206 Y220 V221 V255 F257 L266 W275 | L203-L211 WeakPolarHBondContact CA-O 3.33Å; T204-L211 HydrophobicContact CG2-CB 4.11Å; T204-L211 HydrophobicContact CG2-CD1 4.49Å; T204-L211 PolarHBondContact N-O 3.33Å; T204-L211 PolarHBondContact O-N 2.94Å; A206-L211 HydrophobicContact CB-CD1 3.66Å; L211-Y220 WeakPolarHBondContact CA-O 3.31Å; L211-V221 HydrophobicContact CD2-CG2 4.13Å; L211-V221 HydrophobicContact CG-CG1 4.29Å; L211-V221 HydrophobicContact CG-CG2 4.08Å; L211-V255 HydrophobicContact CD1-CG2 4.18Å; L211-V255 HydrophobicContact CD2-CB 4.27Å; L211-V255 HydrophobicContact CD2-CG1 4.36Å; L211-V255 HydrophobicContact CD2-CG2 4.19Å; L211-F257 HydrophobicContact CB-CE2 4.4Å; L211-F257 HydrophobicContact CB-CZ 3.87Å; L211-F257 HydrophobicContact CD2-CE2 4Å; L211-F257 HydrophobicContact CD2-CZ 4.29Å; L211-L266 HydrophobicContact CD2-CD1 3.77Å; L211-W275 HydrophobicContact CD1-CZ2 3.89Å; L211-W275 HydrophobicContact CD2-CD2 4.25Å |
| 212 | A | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 137.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I176 H196 P200 A202 L203 Y220 Y222 | I176-A212 HydrophobicContact CD1-CB 3.83Å; H196-A212 PolarHBondContact CE1-O 3.37Å; P200-A212 HydrophobicContact CB-CB 4.05Å; A202-A212 CarbonylContact O-C 3.41Å; A202-A212 WeakPolarHBondContact O-CA 3.49Å; L203-A212 HydrophobicContact CD1-CB 3.91Å; A212-Y220 PolarHBondContact N-O 2.8Å; A212-Y220 PolarHBondContact O-N 3.49Å; A212-Y222 HydrophobicContact CB-CE2 4.07Å |
| 213 | A | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 151.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | P200 Y201 A202 R218 I219 F243 F257 | P200-A213 CarbonylContact C-O 3.55Å; Y201-A213 PolarHBondContact N-O 3.43Å; A202-A213 HydrophobicContact CB-CB 4.23Å; A202-A213 PolarHBondContact N-O 2.92Å; A202-A213 VanDerWaalsContact N-O 3.08Å; A202-A213 PolarHBondContact O-N 2.88Å; A213-R218 WeakPolarHBondContact CA-O 3.28Å; A213-R218 VanDerWaalsContact CB-O 3.27Å; A213-R218 WeakPolarHBondContact CB-O 3.44Å; A213-I219 HydrophobicContact CB-CB 4.49Å; A213-I219 HydrophobicContact CB-CG1 4.04Å; A213-F243 HydrophobicContact CB-CB 3.8Å; A213-F243 HydrophobicContact CB-CD2 3.77Å; A213-F243 HydrophobicContact CB-CG 3.98Å; A213-F257 HydrophobicContact CB-CD1 4.18Å; A213-F257 HydrophobicContact CB-CE1 3.78Å |
| 214 | G | 88.5 | Confident | 90.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -138.3 | -150.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A199 D216 | A199-G214 WeakPolarHBondContact O-CA 3.23Å; G214-D216 VanDerWaalsContact C-N 3.25Å; G214-D216 PolarHBondContact O-N 3.01Å | ||
| 215 | C | 89.2 | Confident | 90.5 | Very high | 65 Ų | 65 | 28.3 Ų | 28.3 | 44% | 0.439 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -10.6 | -176.6 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | K217 E242 | C215-K217 PolarHBondContact O-N 3.43Å; C215-E242 HydrophobicContact CB-CG 4.38Å |
| 216 | D | 89.9 | Confident | 90.3 | Very high | 32 Ų | 32 | 28.1 Ų | 28.1 | 17% | 0.171 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 4.4 | 179.4 | 64 | -20.2 | 0 | 0 | 0 | 114 | T198 G214 R218 Y220 | T198-D216 HydrophobicContact CG2-CB 3.78Å; T198-D216 PolarHBondContact OG1-OD1 2.8Å; G214-D216 VanDerWaalsContact C-N 3.25Å; G214-D216 PolarHBondContact O-N 3.01Å; D216-R218 PolarHBondContact O-N 2.82Å; D216-R218 WeakPolarHBondContact OD2-CD 3.33Å; D216-Y220 WeakPolarHBondContact OD2-CE2 3.32Å; D216-Y220 PolarHBondContact OD2-OH 3.44Å |
| 217 | K | 91.1 | Very high | 90.4 | Very high | 44 Ų | 44 | 35.1 Ų | 35.1 | 19% | 0.191 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 57.1 | 29.6 | -178.3 | -45.2 | -179.1 | -168.7 | -178.5 | 0 | 112.9 | C215 Y234 D237 E240 | C215-K217 PolarHBondContact O-N 3.43Å; K217-Y234 WeakPolarHBondContact O-CA 3.1Å; K217-Y234 VanDerWaalsContact O-CB 3.31Å; K217-Y234 WeakPolarHBondContact O-CB 3.19Å; K217-Y234 WeakPolarHBondContact O-CD2 3.41Å; K217-Y234 PolarHBondContact O-N 3.24Å; K217-Y234 VanDerWaalsContact O-N 3.08Å; K217-D237 PolarHBondContact NZ-O 2.8Å; K217-E240 HydrophobicContact CB-CG 4.49Å; K217-E240 HydrophobicContact CD-CB 4.27Å; K217-E240 WeakPolarHBondContact CD-O 3.33Å; K217-E240 WeakPolarHBondContact CE-O 3.46Å; K217-E240 PolarHBondContact NZ-O 3.41Å |
| 218 | R | 92.6 | Very high | 91 | Very high | 77 Ų | 77 | 37.6 Ų | 37.6 | 29% | 0.291 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.2 | 179.1 | -69.6 | 169.5 | 173.1 | 179.3 | 0.7 | 110.2 | A213 D216 Y220 L232 D233 | A213-R218 WeakPolarHBondContact CA-O 3.28Å; A213-R218 VanDerWaalsContact CB-O 3.27Å; A213-R218 WeakPolarHBondContact CB-O 3.44Å; D216-R218 PolarHBondContact O-N 2.82Å; D216-R218 WeakPolarHBondContact OD2-CD 3.33Å; R218-Y220 HydrophobicContact CB-CD2 4.07Å; R218-Y220 HydrophobicContact CB-CE2 3.44Å; R218-Y220 VanDerWaalsContact CB-CE2 3.44Å; R218-Y220 WeakPolarHBondContact CD-OH 3.39Å; R218-Y220 HydrophobicContact CG-CE2 4.48Å; R218-L232 WeakPolarHBondContact CA-O 3.47Å; R218-D233 HydrophobicContact CG-CB 4.24Å; R218-D233 VanDerWaalsContact CG-OD1 3.24Å; R218-D233 WeakPolarHBondContact CG-OD1 3.49Å; R218-D233 IonicContact CZ-OD1 3.67Å; R218-D233 IonicContact CZ-OD2 3.9Å; R218-D233 IonicContact NE-OD1 3.71Å; R218-D233 PolarHBondContact NE-OD1 3.13Å; R218-D233 IonicContact NE-OD2 3.56Å; R218-D233 PolarHBondContact NE-OD2 2.93Å; R218-D233 VanDerWaalsContact NE-OD2 3.13Å; R218-D233 IonicContact NH2-OD1 3.39Å; R218-D233 IonicContact NH2-OD2 2.99Å; R218-D233 PolarHBondContact NH2-OD2 2.8Å |
| 219 | I | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122.6 | 171.7 | -53.8 | 175.9 | 0 | 0 | 0 | 107.8 | A213 Q231 L232 Y234 F243 F257 L266 | A213-I219 HydrophobicContact CB-CB 4.49Å; A213-I219 HydrophobicContact CB-CG1 4.04Å; I219-Q231 WeakPolarHBondContact O-CA 3.5Å; I219-L232 HydrophobicContact CB-CB 4.24Å; I219-L232 PolarHBondContact N-O 3.21Å; I219-L232 PolarHBondContact O-N 3.06Å; I219-Y234 HydrophobicContact CD1-CE2 3.78Å; I219-Y234 HydrophobicContact CG1-CE2 4Å; I219-F243 HydrophobicContact CD1-CE1 4.26Å; I219-F243 HydrophobicContact CD1-CE2 4.22Å; I219-F243 HydrophobicContact CD1-CZ 3.94Å; I219-F243 HydrophobicContact CG1-CD2 4.15Å; I219-F243 HydrophobicContact CG1-CE2 3.72Å; I219-F243 HydrophobicContact CG1-CZ 3.97Å; I219-F257 HydrophobicContact CD1-CB 4.44Å; I219-F257 HydrophobicContact CD1-CD1 4.21Å; I219-F257 HydrophobicContact CD1-CD2 3.79Å; I219-F257 HydrophobicContact CD1-CE1 4.44Å; I219-F257 HydrophobicContact CD1-CE2 4.05Å; I219-F257 HydrophobicContact CD1-CG 3.89Å; I219-F257 HydrophobicContact CD1-CZ 4.38Å; I219-F257 HydrophobicContact CG1-CD1 4.48Å; I219-F257 HydrophobicContact CG1-CE1 4.44Å; I219-F257 HydrophobicContact CG2-CE1 4.18Å; I219-F257 HydrophobicContact CG2-CE2 3.89Å; I219-F257 HydrophobicContact CG2-CZ 3.62Å; I219-L266 HydrophobicContact CD1-CD1 4.28Å; I219-L266 HydrophobicContact CG2-CD1 4.16Å |
| 220 | Y | 94.6 | Very high | 91.4 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.3 | 177.2 | -63.2 | -107 | 0 | 0 | 0 | 109.1 | H196 P197 L211 A212 D216 R218 L228 Q231 | H196-Y220 AromaticContact CE1-CD2 3.17Å; H196-Y220 WeakPolarHBondContact CE1-CD2 3.21Å; H196-Y220 AromaticContact CE1-CE2 3.78Å; H196-Y220 AromaticContact CE1-CG 3.68Å; H196-Y220 AromaticContact ND1-CD2 3.89Å; P197-Y220 HydrophobicContact CG-CE1 3.97Å; P197-Y220 HydrophobicContact CG-CE2 4.33Å; L211-Y220 WeakPolarHBondContact CA-O 3.31Å; A212-Y220 PolarHBondContact N-O 2.8Å; A212-Y220 PolarHBondContact O-N 3.49Å; D216-Y220 WeakPolarHBondContact OD2-CE2 3.32Å; D216-Y220 PolarHBondContact OD2-OH 3.44Å; R218-Y220 HydrophobicContact CB-CD2 4.07Å; R218-Y220 HydrophobicContact CB-CE2 3.44Å; R218-Y220 VanDerWaalsContact CB-CE2 3.44Å; R218-Y220 WeakPolarHBondContact CD-OH 3.39Å; R218-Y220 HydrophobicContact CG-CE2 4.48Å; Y220-L228 HydrophobicContact CD1-CD1 3.72Å; Y220-L228 HydrophobicContact CD1-CD2 4.23Å; Y220-L228 HydrophobicContact CG-CD1 4.29Å; Y220-Q231 HydrophobicContact CD1-CG 4.13Å; Y220-Q231 HydrophobicContact CE1-CG 4.01Å |
| 221 | V | 94.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.6 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | T209 L211 V229 Q230 | T209-V221 HydrophobicContact CG2-CG1 4.2Å; L211-V221 HydrophobicContact CD2-CG2 4.13Å; L211-V221 HydrophobicContact CG-CG1 4.29Å; L211-V221 HydrophobicContact CG-CG2 4.08Å; V221-V229 PolarHBondContact O-N 3.48Å; V221-Q230 HydrophobicContact CB-CB 3.98Å; V221-Q230 HydrophobicContact CG2-CB 4.04Å; V221-Q230 PolarHBondContact N-O 3.47Å; V221-Q230 PolarHBondContact O-N 3.31Å |
| 222 | Y | 93.7 | Very high | 91.1 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 146.8 | 173.5 | -55.3 | -77.2 | 0 | 0 | 0 | 110.6 | I176 T194 H196 T209 I210 A212 G226 K227 L228 | I176-Y222 HydrophobicContact CD1-CD2 4.39Å; I176-Y222 HydrophobicContact CD1-CE2 4.05Å; T194-Y222 HydrophobicContact CG2-CD1 3.99Å; T194-Y222 HydrophobicContact CG2-CD2 4.08Å; T194-Y222 HydrophobicContact CG2-CE1 3.95Å; T194-Y222 HydrophobicContact CG2-CE2 4.03Å; T194-Y222 HydrophobicContact CG2-CG 4.06Å; H196-Y222 AromaticContact ND1-CE2 3.87Å; H196-Y222 AromaticContact ND1-CZ 3.87Å; H196-Y222 PolarHBondContact ND1-OH 2.99Å; T209-Y222 CarbonylContact C-O 3.6Å; T209-Y222 VanDerWaalsContact CA-O 3.23Å; T209-Y222 WeakPolarHBondContact CA-O 3.49Å; T209-Y222 WeakPolarHBondContact CB-O 3.49Å; I210-Y222 PolarHBondContact N-O 3.39Å; I210-Y222 PolarHBondContact O-N 3.29Å; A212-Y222 HydrophobicContact CB-CE2 4.07Å; Y222-G226 WeakPolarHBondContact CD1-O 3.43Å; Y222-K227 CarbonylContact C-O 3.57Å; Y222-K227 VanDerWaalsContact CA-O 3.22Å; Y222-K227 WeakPolarHBondContact CA-O 3.37Å; Y222-L228 HydrophobicContact CD1-CB 4.31Å; Y222-L228 HydrophobicContact CD1-CD1 4.39Å; Y222-L228 HydrophobicContact CE1-CB 4.27Å; Y222-L228 HydrophobicContact CE1-CD1 4.14Å |
| 223 | N | 89.8 | Confident | 90.9 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -177.1 | 168.8 | 69.6 | 0.9 | 0 | 0 | 0 | 111.7 | E225 G226 K227 V229 | N223-E225 PolarHBondContact ND2-OE2 2.96Å; N223-E225 PolarHBondContact O-N 3.23Å; N223-E225 PolarHBondContact OD1-N 3.27Å; N223-E225 PolarHBondContact OD1-OE2 2.85Å; N223-G226 PolarHBondContact O-N 2.79Å; N223-G226 PolarHBondContact OD1-N 3.11Å; N223-K227 PolarHBondContact N-O 3.48Å; N223-K227 WeakPolarHBondContact OD1-CB 3.49Å; N223-K227 PolarHBondContact OD1-N 3.25Å; N223-K227 PolarHBondContact OD1-O 3.38Å; N223-V229 HydrophobicContact CB-CG2 3.57Å |
| 224 | R | 87.1 | Confident | 90.7 | Very high | 104 Ų | 104 | 51 Ų | 51 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.8 | 176.7 | -64 | -167.9 | 176 | 170 | 1.5 | 113.7 | R178 L193 S208 | R178-R224 PolarHBondContact NH1-O 3.04Å; R178-R224 PolarHBondContact NH2-O 3.39Å; L193-R224 WeakPolarHBondContact CD1-O 3.45Å; S208-R224 WeakPolarHBondContact O-CG 3.45Å; S208-R224 PolarHBondContact O-N 3.47Å; S208-R224 VanDerWaalsContact O-N 3.15Å |
| 225 | E | 86.1 | Confident | 90.6 | Very high | 114 Ų | 114 | 53 Ų | 53 | 53% | 0.533 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 3 | 179.5 | -55.3 | 75.1 | -149.5 | 0 | 0 | 113.3 | N223 | N223-E225 PolarHBondContact ND2-OE2 2.96Å; N223-E225 PolarHBondContact O-N 3.23Å; N223-E225 PolarHBondContact OD1-N 3.27Å; N223-E225 PolarHBondContact OD1-OE2 2.85Å |
| 226 | G | 87.2 | Confident | 90.5 | Very high | 8 Ų | 8 | 59 Ų | 59 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 83.6 | 7.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T194 Y222 N223 | T194-G226 WeakPolarHBondContact CB-O 3.36Å; T194-G226 PolarHBondContact OG1-O 3.22Å; Y222-G226 WeakPolarHBondContact CD1-O 3.43Å; N223-G226 PolarHBondContact O-N 2.79Å; N223-G226 PolarHBondContact OD1-N 3.11Å |
| 227 | K | 90.5 | Very high | 90.3 | Very high | 147 Ų | 147 | 60.1 Ų | 60.1 | 64% | 0.639 | 29% | 0.286 | S | S | * | . | trans | -78.2 | 137.4 | 173.8 | -60.8 | -178.2 | 178.9 | 176.6 | 0 | 110.1 | Y222 N223 V229 | Y222-K227 CarbonylContact C-O 3.57Å; Y222-K227 VanDerWaalsContact CA-O 3.22Å; Y222-K227 WeakPolarHBondContact CA-O 3.37Å; N223-K227 PolarHBondContact N-O 3.48Å; N223-K227 WeakPolarHBondContact OD1-CB 3.49Å; N223-K227 PolarHBondContact OD1-N 3.25Å; N223-K227 PolarHBondContact OD1-O 3.38Å; K227-V229 PolarHBondContact O-N 3.32Å | ||
| 228 | L | 91.9 | Very high | 89.9 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 120.7 | 174.5 | -177.3 | 65.1 | 0 | 0 | 0 | 109.8 | Y220 Y222 Q230 | Y220-L228 HydrophobicContact CD1-CD1 3.72Å; Y220-L228 HydrophobicContact CD1-CD2 4.23Å; Y220-L228 HydrophobicContact CG-CD1 4.29Å; Y222-L228 HydrophobicContact CD1-CB 4.31Å; Y222-L228 HydrophobicContact CD1-CD1 4.39Å; Y222-L228 HydrophobicContact CE1-CB 4.27Å; Y222-L228 HydrophobicContact CE1-CD1 4.14Å; L228-Q230 WeakPolarHBondContact CD1-O 3.31Å |
| 229 | V | 89.3 | Confident | 89.5 | Confident | 80 Ų | 80 | 63.8 Ų | 63.8 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -43.5 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | V221 N223 K227 | V221-V229 PolarHBondContact O-N 3.48Å; N223-V229 HydrophobicContact CB-CG2 3.57Å; K227-V229 PolarHBondContact O-N 3.32Å |
| 230 | Q | 91.3 | Very high | 89.1 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 143.6 | -174.1 | -168.4 | 176.1 | 7 | 0 | 0 | 110.1 | V221 L228 L232 W275 | V221-Q230 HydrophobicContact CB-CB 3.98Å; V221-Q230 HydrophobicContact CG2-CB 4.04Å; V221-Q230 PolarHBondContact N-O 3.47Å; V221-Q230 PolarHBondContact O-N 3.31Å; L228-Q230 WeakPolarHBondContact CD1-O 3.31Å; Q230-L232 HydrophobicContact CG-CD2 4.44Å; Q230-W275 PolarHBondContact NE2-O 3.35Å; Q230-W275 VanDerWaalsContact OE1-N 3.07Å; Q230-W275 PolarHBondContact OE1-O 3.38Å |
| 231 | Q | 92.3 | Very high | 88.8 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 125.5 | 173.8 | -179.2 | -176.9 | -25.5 | 0 | 0 | 108.5 | I219 Y220 | I219-Q231 WeakPolarHBondContact O-CA 3.5Å; Y220-Q231 HydrophobicContact CD1-CG 4.13Å; Y220-Q231 HydrophobicContact CE1-CG 4.01Å |
| 232 | L | 91.2 | Very high | 88.5 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 15% | 0.152 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 110.6 | 173.8 | -55.6 | 172.7 | 0 | 0 | 0 | 107.7 | R218 I219 Q230 Y234 L266 | R218-L232 WeakPolarHBondContact CA-O 3.47Å; I219-L232 HydrophobicContact CB-CB 4.24Å; I219-L232 PolarHBondContact N-O 3.21Å; I219-L232 PolarHBondContact O-N 3.06Å; Q230-L232 HydrophobicContact CG-CD2 4.44Å; L232-Y234 HydrophobicContact CB-CE2 3.78Å; L232-L266 HydrophobicContact CD1-CD1 3.66Å; L232-L266 HydrophobicContact CD1-CD2 3.56Å; L232-L266 HydrophobicContact CD1-CG 4.28Å |
| 233 | D | 90.3 | Very high | 88.4 | Confident | 66 Ų | 66 | 73.2 Ų | 73.2 | 35% | 0.353 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 110.8 | -173.9 | -170.3 | 1.5 | 0 | 0 | 0 | 111.8 | R218 S235 | R218-D233 HydrophobicContact CG-CB 4.24Å; R218-D233 VanDerWaalsContact CG-OD1 3.24Å; R218-D233 WeakPolarHBondContact CG-OD1 3.49Å; R218-D233 IonicContact CZ-OD1 3.67Å; R218-D233 IonicContact CZ-OD2 3.9Å; R218-D233 IonicContact NE-OD1 3.71Å; R218-D233 PolarHBondContact NE-OD1 3.13Å; R218-D233 IonicContact NE-OD2 3.56Å; R218-D233 PolarHBondContact NE-OD2 2.93Å; R218-D233 VanDerWaalsContact NE-OD2 3.13Å; R218-D233 IonicContact NH2-OD1 3.39Å; R218-D233 IonicContact NH2-OD2 2.99Å; R218-D233 PolarHBondContact NH2-OD2 2.8Å; D233-S235 VanDerWaalsContact CG-OG 3.28Å; D233-S235 WeakPolarHBondContact OD1-CB 3.5Å; D233-S235 PolarHBondContact OD1-N 2.89Å; D233-S235 PolarHBondContact OD1-OG 3.07Å; D233-S235 PolarHBondContact OD2-OG 2.9Å |
| 234 | Y | 90.1 | Very high | 88.5 | Confident | 25 Ų | 25 | 73.6 Ų | 73.6 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | trans | -107.6 | 11.5 | 175.1 | -47.5 | -81.8 | 0 | 0 | 0 | 112.3 | K217 I219 L232 K236 D237 F243 E277 | K217-Y234 WeakPolarHBondContact O-CA 3.1Å; K217-Y234 VanDerWaalsContact O-CB 3.31Å; K217-Y234 WeakPolarHBondContact O-CB 3.19Å; K217-Y234 WeakPolarHBondContact O-CD2 3.41Å; K217-Y234 PolarHBondContact O-N 3.24Å; K217-Y234 VanDerWaalsContact O-N 3.08Å; I219-Y234 HydrophobicContact CD1-CE2 3.78Å; I219-Y234 HydrophobicContact CG1-CE2 4Å; L232-Y234 HydrophobicContact CB-CE2 3.78Å; Y234-K236 PolarHBondContact O-N 3.44Å; Y234-K236 VanDerWaalsContact O-N 3.15Å; Y234-D237 PolarHBondContact O-N 2.77Å; Y234-F243 AromaticContact CD2-CE2 3.88Å; Y234-F243 HydrophobicContact CD2-CE2 3.88Å; Y234-F243 AromaticContact CD2-CZ 3.65Å; Y234-F243 HydrophobicContact CD2-CZ 3.65Å; Y234-F243 HydrophobicContact CE2-CE2 4.38Å; Y234-F243 AromaticContact CE2-CZ 3.96Å; Y234-F243 HydrophobicContact CE2-CZ 3.96Å; Y234-F243 HydrophobicContact CG-CZ 4.47Å; Y234-E277 PolarHBondContact OH-OE1 3.49Å; Y234-E277 PolarHBondContact OH-OE2 2.87Å | ||
| 235 | S | 86.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.9 | 179.5 | 61.7 | 0 | 0 | 0 | 0 | 113.5 | D233 D237 | D233-S235 VanDerWaalsContact CG-OG 3.28Å; D233-S235 WeakPolarHBondContact OD1-CB 3.5Å; D233-S235 PolarHBondContact OD1-N 2.89Å; D233-S235 PolarHBondContact OD1-OG 3.07Å; D233-S235 PolarHBondContact OD2-OG 2.9Å; S235-D237 VanDerWaalsContact C-N 3.35Å |
| 236 | K | 86.4 | Confident | 89.1 | Confident | 191 Ų | 191 | 65.7 Ų | 65.7 | 83% | 0.83 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -12.3 | 177.5 | -61.3 | -175.1 | -178.7 | -179.3 | 0 | 114.2 | Y234 | Y234-K236 PolarHBondContact O-N 3.44Å; Y234-K236 VanDerWaalsContact O-N 3.15Å |
| 237 | D | 85.3 | Confident | 89.4 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 29% | 0.289 | 34% | 0.343 | S | S | . | . | trans | -90.4 | 106.3 | 176.4 | -176 | 1 | 0 | 0 | 0 | 109.6 | K217 Y234 S235 S239 E240 R262 | K217-D237 PolarHBondContact NZ-O 2.8Å; Y234-D237 PolarHBondContact O-N 2.77Å; S235-D237 VanDerWaalsContact C-N 3.35Å; D237-S239 PolarHBondContact O-N 2.98Å; D237-S239 WeakPolarHBondContact OD1-CB 3.29Å; D237-S239 PolarHBondContact OD1-N 2.92Å; D237-S239 PolarHBondContact OD1-OG 3.27Å; D237-S239 PolarHBondContact OD2-OG 3.04Å; D237-E240 HydrophobicContact CB-CB 3.99Å; D237-E240 WeakPolarHBondContact O-CB 3.28Å; D237-E240 PolarHBondContact O-N 3.46Å; D237-E240 VanDerWaalsContact O-N 3.08Å; D237-R262 IonicContact OD2-CZ 3.74Å; D237-R262 IonicContact OD2-NH1 2.95Å; D237-R262 PolarHBondContact OD2-NH1 3.34Å; D237-R262 IonicContact OD2-NH2 2.8Å | ||
| 238 | D | 83.4 | Confident | 89.4 | Confident | 140 Ų | 140 | 60.5 Ų | 60.5 | 75% | 0.749 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26 | 179.3 | -70.6 | -28.1 | 0 | 0 | 0 | 112.8 | ||
| 239 | S | 83.9 | Confident | 89.2 | Confident | 59 Ų | 59 | 56.5 Ų | 56.5 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -21 | 177.8 | 70.3 | 0 | 0 | 0 | 0 | 113 | D237 R262 | D237-S239 PolarHBondContact O-N 2.98Å; D237-S239 WeakPolarHBondContact OD1-CB 3.29Å; D237-S239 PolarHBondContact OD1-N 2.92Å; D237-S239 PolarHBondContact OD1-OG 3.27Å; D237-S239 PolarHBondContact OD2-OG 3.04Å; S239-R262 PolarHBondContact OG-NH1 3.33Å; S239-R262 PolarHBondContact OG-NH2 3.21Å |
| 240 | E | 85.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -74.3 | 138.4 | 175.2 | -164.8 | 64.2 | -132.7 | 0 | 0 | 110.4 | K217 D237 S259 R262 R264 | K217-E240 HydrophobicContact CB-CG 4.49Å; K217-E240 HydrophobicContact CD-CB 4.27Å; K217-E240 WeakPolarHBondContact CD-O 3.33Å; K217-E240 WeakPolarHBondContact CE-O 3.46Å; K217-E240 PolarHBondContact NZ-O 3.41Å; D237-E240 HydrophobicContact CB-CB 3.99Å; D237-E240 WeakPolarHBondContact O-CB 3.28Å; D237-E240 PolarHBondContact O-N 3.46Å; D237-E240 VanDerWaalsContact O-N 3.08Å; E240-S259 WeakPolarHBondContact OE1-CB 3.37Å; E240-S259 PolarHBondContact OE1-OG 3.35Å; E240-R262 WeakPolarHBondContact OE2-CD 3.22Å; E240-R262 IonicContact OE2-CZ 3.83Å; E240-R262 IonicContact OE2-NH1 3.12Å; E240-R262 PolarHBondContact OE2-NH1 3Å; E240-R264 IonicContact OE1-NE 2.68Å; E240-R264 IonicContact OE2-CZ 3.18Å; E240-R264 VanDerWaalsContact OE2-CZ 3.31Å; E240-R264 IonicContact OE2-NE 3.64Å; E240-R264 PolarHBondContact OE2-NE 2.99Å; E240-R264 VanDerWaalsContact OE2-NE 3.12Å; E240-R264 IonicContact OE2-NH2 2.68Å; E240-R264 PolarHBondContact OE2-NH2 3.42Å | ||
| 241 | K | 87.8 | Confident | 88.3 | Confident | 105 Ų | 105 | 51.4 Ų | 51.4 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | trans | -116.5 | -173.2 | 174.8 | -59.5 | -62.4 | -176.4 | -172.1 | 0 | 109.6 | F260 | K241-F260 HydrophobicContact CB-CB 3.59Å; K241-F260 HydrophobicContact CG-CB 3.54Å; K241-F260 HydrophobicContact CG-CD1 4.29Å; K241-F260 HydrophobicContact CG-CG 3.98Å | ||
| 242 | E | 88.2 | Confident | 87.8 | Confident | 114 Ų | 114 | 47.7 Ų | 47.7 | 53% | 0.533 | 25% | 0.254 | S | S | . | . | trans | -62.3 | 141.7 | -175.9 | -52.3 | 169.4 | -134.7 | 0 | 0 | 111.9 | C215 | C215-E242 HydrophobicContact CB-CG 4.38Š| ||
| 243 | F | 92.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | trans | -81 | 119 | 170.6 | -67.2 | -66.4 | 0 | 0 | 0 | 109.7 | A202 A213 I219 Y234 F257 | A202-F243 HydrophobicContact CB-CB 4.25Å; A213-F243 HydrophobicContact CB-CB 3.8Å; A213-F243 HydrophobicContact CB-CD2 3.77Å; A213-F243 HydrophobicContact CB-CG 3.98Å; I219-F243 HydrophobicContact CD1-CE1 4.26Å; I219-F243 HydrophobicContact CD1-CE2 4.22Å; I219-F243 HydrophobicContact CD1-CZ 3.94Å; I219-F243 HydrophobicContact CG1-CD2 4.15Å; I219-F243 HydrophobicContact CG1-CE2 3.72Å; I219-F243 HydrophobicContact CG1-CZ 3.97Å; Y234-F243 AromaticContact CD2-CE2 3.88Å; Y234-F243 HydrophobicContact CD2-CE2 3.88Å; Y234-F243 AromaticContact CD2-CZ 3.65Å; Y234-F243 HydrophobicContact CD2-CZ 3.65Å; Y234-F243 HydrophobicContact CE2-CE2 4.38Å; Y234-F243 AromaticContact CE2-CZ 3.96Å; Y234-F243 HydrophobicContact CE2-CZ 3.96Å; Y234-F243 HydrophobicContact CG-CZ 4.47Å; F243-F257 HydrophobicContact CD1-CB 4.03Å; F243-F257 HydrophobicContact CD1-CD1 4.4Å; F243-F257 HydrophobicContact CE1-CB 4.27Å | ||
| 244 | T | 91 | Very high | 87.5 | Confident | 43 Ų | 43 | 44.1 Ų | 44.1 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | trans | -100.9 | -34.4 | -171.5 | 48.1 | 0 | 0 | 0 | 0 | 113.2 | G258 T288 I289 | T244-G258 PolarHBondContact N-O 2.81Å; T244-G258 VanDerWaalsContact N-O 3.17Å; T244-G258 PolarHBondContact OG1-O 2.9Å; T244-T288 HydrophobicContact CG2-CG2 3.46Å; T244-T288 VanDerWaalsContact CG2-CG2 3.46Å; T244-I289 WeakPolarHBondContact CB-O 3.41Å; T244-I289 PolarHBondContact OG1-O 3.4Å | ||
| 245 | V | 92.9 | Very high | 87.6 | Confident | 31 Ų | 31 | 43 Ų | 43 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 144.8 | -175.8 | -71 | 0 | 0 | 0 | 0 | 111.1 | G258 I289 T290 I292 | V245-G258 PolarHBondContact O-N 3.16Å; V245-I289 HydrophobicContact CG2-CG2 3.83Å; V245-T290 WeakPolarHBondContact CG1-O 2.94Å; V245-I292 HydrophobicContact CG2-CB 4.33Å; V245-I292 HydrophobicContact CG2-CD1 3.77Å; V245-I292 HydrophobicContact CG2-CG1 3.7Å |
| 246 | A | 94.1 | Very high | 87.9 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 145.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | A202 T204 A256 F257 | A202-A246 HydrophobicContact CB-CB 3.83Å; T204-A246 HydrophobicContact CG2-CB 4.43Å; A246-A256 CarbonylContact C-O 3.52Å; A246-A256 VanDerWaalsContact CA-O 3.29Å; A246-A256 WeakPolarHBondContact CA-O 3.3Å; A246-F257 HydrophobicContact CB-CD1 3.79Å; A246-F257 HydrophobicContact CB-CE1 3.59Å; A246-F257 HydrophobicContact CB-CG 4.41Å; A246-F257 HydrophobicContact CB-CZ 4.06Å |
| 247 | S | 92.5 | Very high | 88.2 | Confident | 25 Ų | 25 | 31.8 Ų | 31.8 | 18% | 0.175 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 126.6 | 172.8 | -161.6 | 0 | 0 | 0 | 0 | 109.7 | A256 W294 | S247-A256 PolarHBondContact N-O 3.38Å; S247-A256 PolarHBondContact O-N 2.88Å; S247-W294 PolarHBondContact O-NE1 3Å |
| 248 | C | 91.2 | Very high | 88.6 | Confident | 20 Ų | 20 | 29.2 Ų | 29.2 | 14% | 0.135 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 144 | 173.4 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | T204 A206 G252 V255 W294 | T204-C248 HydrophobicContact CG2-CB 4.19Å; T204-C248 WeakPolarHBondContact OG1-CB 3.42Å; T204-C248 PolarHBondContact OG1-N 3.26Å; A206-C248 HydrophobicContact CB-CB 4.4Å; A206-C248 VanDerWaalsContact CB-SG 3.53Å; C248-G252 VanDerWaalsContact SG-CA 3.5Å; C248-V255 HydrophobicContact CB-CG2 4.12Å; C248-W294 VanDerWaalsContact C-CD1 3.46Å |
| 249 | N | 87.7 | Confident | 88.9 | Confident | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | trans | -69 | 159.8 | 171.2 | 84.9 | -22.3 | 0 | 0 | 0 | 110.6 | S251 G252 H253 V254 W294 | N249-S251 PolarHBondContact ND2-OG 3.24Å; N249-S251 PolarHBondContact O-N 3.15Å; N249-S251 PolarHBondContact OD1-N 3.21Å; N249-S251 PolarHBondContact OD1-OG 3.01Å; N249-G252 PolarHBondContact O-N 3.01Å; N249-G252 PolarHBondContact OD1-N 3.49Å; N249-H253 PolarHBondContact OD1-N 3.35Å; N249-V254 HydrophobicContact CB-CB 4.06Å; N249-V254 WeakPolarHBondContact CB-O 3.44Å; N249-V254 PolarHBondContact N-O 2.87Å; N249-V254 PolarHBondContact OD1-N 3.26Å; N249-V254 PolarHBondContact OD1-O 3.27Å; N249-W294 HydrophobicContact CB-CD2 4Å; N249-W294 HydrophobicContact CB-CE3 4.24Å; N249-W294 HydrophobicContact CB-CG 4.38Å; N249-W294 HydrophobicContact CB-CZ2 4.43Å | ||
| 250 | P | 82.8 | Confident | 89.3 | Confident | 19 Ų | 19 | 22.7 Ų | 22.7 | 12% | 0.123 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.1 | -177.8 | -25.6 | 36 | 0 | 0 | 0 | 114.5 | V162 K295 Q296 Q350 | V162-P250 WeakPolarHBondContact CG1-O 3.45Å; P250-K295 VanDerWaalsContact CG-O 3.29Å; P250-K295 WeakPolarHBondContact CG-O 3.42Å; P250-Q296 VanDerWaalsContact CB-O 3.23Å; P250-Q296 WeakPolarHBondContact CB-O 3.46Å; P250-Q296 VanDerWaalsContact CG-C 3.48Å; P250-Q296 WeakPolarHBondContact CG-O 3.38Å; P250-Q350 PolarHBondContact O-NE2 2.98Å |
| 251 | S | 77.8 | Confident | 89.5 | Confident | 8 Ų | 8 | 24 Ų | 24 | 6% | 0.056 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16.5 | 176 | 73.2 | 0 | 0 | 0 | 0 | 114.6 | N249 H253 | N249-S251 PolarHBondContact ND2-OG 3.24Å; N249-S251 PolarHBondContact O-N 3.15Å; N249-S251 PolarHBondContact OD1-N 3.21Å; N249-S251 PolarHBondContact OD1-OG 3.01Å; S251-H253 VanDerWaalsContact C-N 3.32Å; S251-H253 PolarHBondContact O-CD2 3.16Å; S251-H253 PolarHBondContact OG-CD2 2.93Å; S251-H253 PolarHBondContact OG-N 3.39Å |
| 252 | G | 83.2 | Confident | 89.6 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 81.3 | 2.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A206 C248 N249 | A206-G252 CarbonylContact C-O 3.52Å; C248-G252 VanDerWaalsContact SG-CA 3.5Å; N249-G252 PolarHBondContact O-N 3.01Å; N249-G252 PolarHBondContact OD1-N 3.49Å |
| 253 | H | 84.4 | Confident | 89.8 | Confident | 21 Ų | 21 | 14.3 Ų | 14.3 | 10% | 0.097 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -109.3 | -9.5 | -173.2 | -60 | -57.5 | 0 | 0 | 0 | 114.7 | N249 S251 S267 W268 W275 P333 S334 | N249-H253 PolarHBondContact OD1-N 3.35Å; S251-H253 VanDerWaalsContact C-N 3.32Å; S251-H253 PolarHBondContact O-CD2 3.16Å; S251-H253 PolarHBondContact OG-CD2 2.93Å; S251-H253 PolarHBondContact OG-N 3.39Å; H253-S267 CarbonylContact O-C 3.55Å; H253-S267 WeakPolarHBondContact O-CA 3.48Å; H253-W268 HydrophobicContact CB-CB 4.09Å; H253-W268 AromaticContact ND1-CD1 3.5Å; H253-W268 PolarHBondContact O-N 3.08Å; H253-W275 VanDerWaalsContact O-CZ3 3.22Å; H253-W275 WeakPolarHBondContact O-CZ3 3.27Å; H253-P333 HydrophobicContact CB-CG 4.4Å; H253-S334 PolarHBondContact CD2-OG 3.29Å; H253-S334 WeakPolarHBondContact NE2-CB 3.41Å; H253-S334 PolarHBondContact NE2-OG 2.82Å |
| 254 | V | 89.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.3 | 177.8 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | M1 N249 V265 L266 W294 | M1-V254 HydrophobicContact CB-CG1 4.11Å; M1-V254 HydrophobicContact CB-CG2 4.36Å; M1-V254 HydrophobicContact CG-CG1 4.02Å; N249-V254 HydrophobicContact CB-CB 4.06Å; N249-V254 WeakPolarHBondContact CB-O 3.44Å; N249-V254 PolarHBondContact N-O 2.87Å; N249-V254 PolarHBondContact OD1-N 3.26Å; N249-V254 PolarHBondContact OD1-O 3.27Å; V254-V265 HydrophobicContact CG1-CG1 3.37Å; V254-L266 CarbonylContact C-O 3.58Å; V254-L266 VanDerWaalsContact CA-O 3.29Å; V254-L266 WeakPolarHBondContact CA-O 3.39Å; V254-W294 HydrophobicContact CG1-CH2 4.29Å; V254-W294 HydrophobicContact CG1-CZ2 4.19Å |
| 255 | V | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130.5 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | T204 A206 L211 C248 F257 V265 L266 W275 | T204-V255 HydrophobicContact CG2-CB 4.42Å; T204-V255 HydrophobicContact CG2-CG1 3.58Å; T204-V255 HydrophobicContact CG2-CG2 3.88Å; A206-V255 HydrophobicContact CB-CG2 3.66Å; L211-V255 HydrophobicContact CD1-CG2 4.18Å; L211-V255 HydrophobicContact CD2-CB 4.27Å; L211-V255 HydrophobicContact CD2-CG1 4.36Å; L211-V255 HydrophobicContact CD2-CG2 4.19Å; C248-V255 HydrophobicContact CB-CG2 4.12Å; V255-F257 HydrophobicContact CB-CE2 4.29Å; V255-F257 HydrophobicContact CG1-CD2 3.84Å; V255-F257 HydrophobicContact CG1-CE2 3.36Å; V255-F257 HydrophobicContact CG1-CZ 4Å; V255-V265 CarbonylContact O-C 3.53Å; V255-V265 WeakPolarHBondContact O-CA 3.39Å; V255-L266 PolarHBondContact N-O 3.25Å; V255-L266 PolarHBondContact O-N 3.02Å; V255-W275 HydrophobicContact CB-CZ3 4.27Å; V255-W275 HydrophobicContact CG2-CH2 3.64Å; V255-W275 HydrophobicContact CG2-CZ2 4.4Å; V255-W275 HydrophobicContact CG2-CZ3 3.8Å |
| 256 | A | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A246 S247 R264 V265 I292 W294 L301 | A246-A256 CarbonylContact C-O 3.52Å; A246-A256 VanDerWaalsContact CA-O 3.29Å; A246-A256 WeakPolarHBondContact CA-O 3.3Å; S247-A256 PolarHBondContact N-O 3.38Å; S247-A256 PolarHBondContact O-N 2.88Å; A256-R264 CarbonylContact C-O 3.56Å; A256-R264 WeakPolarHBondContact CA-O 3.49Å; A256-V265 HydrophobicContact CB-CG2 4.47Å; A256-I292 HydrophobicContact CB-CG2 4.5Å; A256-W294 HydrophobicContact CB-CZ2 3.95Å; A256-L301 HydrophobicContact CB-CD2 3.99Å |
| 257 | F | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.2 | 171.5 | -75.1 | -91.7 | 0 | 0 | 0 | 109.6 | A202 L211 A213 I219 F243 A246 V255 R264 L266 | A202-F257 HydrophobicContact CB-CD1 4.04Å; A202-F257 HydrophobicContact CB-CE1 4.02Å; L211-F257 HydrophobicContact CB-CE2 4.4Å; L211-F257 HydrophobicContact CB-CZ 3.87Å; L211-F257 HydrophobicContact CD2-CE2 4Å; L211-F257 HydrophobicContact CD2-CZ 4.29Å; A213-F257 HydrophobicContact CB-CD1 4.18Å; A213-F257 HydrophobicContact CB-CE1 3.78Å; I219-F257 HydrophobicContact CD1-CB 4.44Å; I219-F257 HydrophobicContact CD1-CD1 4.21Å; I219-F257 HydrophobicContact CD1-CD2 3.79Å; I219-F257 HydrophobicContact CD1-CE1 4.44Å; I219-F257 HydrophobicContact CD1-CE2 4.05Å; I219-F257 HydrophobicContact CD1-CG 3.89Å; I219-F257 HydrophobicContact CD1-CZ 4.38Å; I219-F257 HydrophobicContact CG1-CD1 4.48Å; I219-F257 HydrophobicContact CG1-CE1 4.44Å; I219-F257 HydrophobicContact CG2-CE1 4.18Å; I219-F257 HydrophobicContact CG2-CE2 3.89Å; I219-F257 HydrophobicContact CG2-CZ 3.62Å; F243-F257 HydrophobicContact CD1-CB 4.03Å; F243-F257 HydrophobicContact CD1-CD1 4.4Å; F243-F257 HydrophobicContact CE1-CB 4.27Å; A246-F257 HydrophobicContact CB-CD1 3.79Å; A246-F257 HydrophobicContact CB-CE1 3.59Å; A246-F257 HydrophobicContact CB-CG 4.41Å; A246-F257 HydrophobicContact CB-CZ 4.06Å; V255-F257 HydrophobicContact CB-CE2 4.29Å; V255-F257 HydrophobicContact CG1-CD2 3.84Å; V255-F257 HydrophobicContact CG1-CE2 3.36Å; V255-F257 HydrophobicContact CG1-CZ 4Å; F257-R264 HydrophobicContact CB-CB 4.31Å; F257-R264 PolarHBondContact N-O 2.92Å; F257-R264 PolarHBondContact O-N 3.41Å; F257-L266 HydrophobicContact CD2-CD1 4.25Å; F257-L266 HydrophobicContact CE2-CD1 3.87Å |
| 258 | G | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | T244 V245 | T244-G258 PolarHBondContact N-O 2.81Å; T244-G258 VanDerWaalsContact N-O 3.17Å; T244-G258 PolarHBondContact OG1-O 2.9Å; V245-G258 PolarHBondContact O-N 3.16Å |
| 259 | S | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | -166.9 | 169.1 | 68 | 0 | 0 | 0 | 0 | 110.1 | E240 N261 R262 I289 | E240-S259 WeakPolarHBondContact OE1-CB 3.37Å; E240-S259 PolarHBondContact OE1-OG 3.35Å; S259-N261 PolarHBondContact O-N 2.95Å; S259-R262 PolarHBondContact N-O 2.9Å; S259-R262 WeakPolarHBondContact OG-CB 3.38Å; S259-I289 PolarHBondContact O-N 3.32Å |
| 260 | F | 91.1 | Very high | 87.9 | Confident | 62 Ų | 62 | 15 Ų | 15 | 27% | 0.272 | 8% | 0.079 | S | C | . | . | B | Isolated β-bridge | trans | -71 | 120.6 | -179.8 | -173.4 | -93.8 | 0 | 0 | 0 | 111.1 | K241 R262 Y287 | K241-F260 HydrophobicContact CB-CB 3.59Å; K241-F260 HydrophobicContact CG-CB 3.54Å; K241-F260 HydrophobicContact CG-CD1 4.29Å; K241-F260 HydrophobicContact CG-CG 3.98Å; F260-R262 PolarHBondContact O-N 3.25Å; F260-R262 VanDerWaalsContact O-N 3.09Å; F260-Y287 AromaticContact CE2-CD1 3.68Å; F260-Y287 HydrophobicContact CE2-CD1 3.68Å; F260-Y287 HydrophobicContact CE2-CE1 4.44Å; F260-Y287 HydrophobicContact CE2-CG 4.2Å; F260-Y287 HydrophobicContact CZ-CD1 4.09Å |
| 261 | N | 90.9 | Very high | 87.4 | Confident | 26 Ų | 26 | 23.9 Ų | 23.9 | 14% | 0.139 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 9.1 | -178 | -68.7 | -19.2 | 0 | 0 | 0 | 115.8 | S259 E282 I283 N285 L286 Y287 | S259-N261 PolarHBondContact O-N 2.95Å; N261-E282 WeakPolarHBondContact O-CA 3.38Å; N261-I283 VanDerWaalsContact CB-O 3.32Å; N261-I283 WeakPolarHBondContact CB-O 3.35Å; N261-I283 PolarHBondContact O-N 3.37Å; N261-N285 PolarHBondContact OD1-N 3.22Å; N261-L286 PolarHBondContact OD1-N 3.41Å; N261-Y287 PolarHBondContact N-O 3.06Å; N261-Y287 PolarHBondContact OD1-N 3.24Å |
| 262 | R | 90.3 | Very high | 87.4 | Confident | 16 Ų | 16 | 31 Ų | 31 | 6% | 0.06 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 137.6 | -168.2 | -71.3 | 175.3 | -179.7 | -179.2 | -0.6 | 112.7 | D237 S239 E240 S259 F260 L280 K281 E282 I289 | D237-R262 IonicContact OD2-CZ 3.74Å; D237-R262 IonicContact OD2-NH1 2.95Å; D237-R262 PolarHBondContact OD2-NH1 3.34Å; D237-R262 IonicContact OD2-NH2 2.8Å; S239-R262 PolarHBondContact OG-NH1 3.33Å; S239-R262 PolarHBondContact OG-NH2 3.21Å; E240-R262 WeakPolarHBondContact OE2-CD 3.22Å; E240-R262 IonicContact OE2-CZ 3.83Å; E240-R262 IonicContact OE2-NH1 3.12Å; E240-R262 PolarHBondContact OE2-NH1 3Å; S259-R262 PolarHBondContact N-O 2.9Å; S259-R262 WeakPolarHBondContact OG-CB 3.38Å; F260-R262 PolarHBondContact O-N 3.25Å; F260-R262 VanDerWaalsContact O-N 3.09Å; R262-L280 HydrophobicContact CB-CD1 4.18Å; R262-L280 HydrophobicContact CG-CD1 4.25Å; R262-K281 WeakPolarHBondContact CA-O 3.46Å; R262-E282 HydrophobicContact CG-CB 4.32Å; R262-E282 HydrophobicContact CG-CG 4.08Å; R262-E282 IonicContact CZ-OE1 2.61Å; R262-E282 IonicContact NE-OE1 3.16Å; R262-E282 PolarHBondContact NE-OE1 3.11Å; R262-E282 IonicContact NH2-OE1 3.9Å; R262-E282 PolarHBondContact NH2-OE1 3.44Å; R262-I289 VanDerWaalsContact O-CD1 3.22Å; R262-I289 WeakPolarHBondContact O-CD1 3.42Å |
| 263 | I | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 111 | 166.2 | -53.9 | 159.4 | 0 | 0 | 0 | 107 | L3 V265 K281 I289 L301 V303 F313 | L3-I263 HydrophobicContact CD1-CB 4.42Å; L3-I263 HydrophobicContact CD1-CG2 3.8Å; I263-V265 HydrophobicContact CG2-CG2 4.23Å; I263-K281 HydrophobicContact CB-CB 4.27Å; I263-K281 PolarHBondContact N-O 2.71Å; I263-K281 PolarHBondContact O-N 3.32Å; I263-I289 HydrophobicContact CB-CD1 4.44Å; I263-I289 HydrophobicContact CD1-CD1 4.35Å; I263-I289 HydrophobicContact CG1-CD1 3.37Å; I263-L301 HydrophobicContact CG2-CD2 4.48Å; I263-V303 HydrophobicContact CD1-CG1 4.41Å; I263-V303 HydrophobicContact CD1-CG2 3.94Å; I263-F313 HydrophobicContact CD1-CD2 4.41Å; I263-F313 HydrophobicContact CD1-CE1 4.47Å; I263-F313 HydrophobicContact CD1-CE2 3.75Å; I263-F313 HydrophobicContact CD1-CZ 3.79Å |
| 264 | R | 91.5 | Very high | 87 | Confident | 14 Ų | 14 | 32.7 Ų | 32.7 | 5% | 0.053 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131.7 | 173.5 | -73.8 | -176.3 | -173.9 | -85.7 | 4.2 | 109 | E240 A256 F257 E277 L280 | E240-R264 IonicContact OE1-NE 2.68Å; E240-R264 IonicContact OE2-CZ 3.18Å; E240-R264 VanDerWaalsContact OE2-CZ 3.31Å; E240-R264 IonicContact OE2-NE 3.64Å; E240-R264 PolarHBondContact OE2-NE 2.99Å; E240-R264 VanDerWaalsContact OE2-NE 3.12Å; E240-R264 IonicContact OE2-NH2 2.68Å; E240-R264 PolarHBondContact OE2-NH2 3.42Å; A256-R264 CarbonylContact C-O 3.56Å; A256-R264 WeakPolarHBondContact CA-O 3.49Å; F257-R264 HydrophobicContact CB-CB 4.31Å; F257-R264 PolarHBondContact N-O 2.92Å; F257-R264 PolarHBondContact O-N 3.41Å; R264-E277 IonicContact CZ-OE1 2.79Å; R264-E277 IonicContact NH1-OE1 2.73Å; R264-E277 PolarHBondContact NH1-OE1 3.31Å; R264-E277 IonicContact NH1-OE2 3.54Å; R264-L280 HydrophobicContact CG-CD1 3.52Å |
| 265 | V | 92 | Very high | 87 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.1 | 179.2 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | M1 L3 V254 V255 A256 I263 C278 | M1-V265 HydrophobicContact CB-CG1 4.03Å; M1-V265 HydrophobicContact CG-CG1 4.32Å; L3-V265 HydrophobicContact CD1-CG2 3.46Å; L3-V265 VanDerWaalsContact CD1-CG2 3.46Å; L3-V265 HydrophobicContact CG-CG2 4.03Å; V254-V265 HydrophobicContact CG1-CG1 3.37Å; V255-V265 CarbonylContact O-C 3.53Å; V255-V265 WeakPolarHBondContact O-CA 3.39Å; A256-V265 HydrophobicContact CB-CG2 4.47Å; I263-V265 HydrophobicContact CG2-CG2 4.23Å; V265-C278 HydrophobicContact CB-CB 4.07Å; V265-C278 HydrophobicContact CG1-CB 4.28Å; V265-C278 VanDerWaalsContact O-CB 3.28Å; V265-C278 WeakPolarHBondContact O-CB 3.42Å; V265-C278 PolarHBondContact O-N 3.08Å |
| 266 | L | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 137.6 | 172.6 | -54.9 | -179.6 | 0 | 0 | 0 | 108.7 | L211 I219 L232 V254 V255 F257 W275 E276 E277 | L211-L266 HydrophobicContact CD2-CD1 3.77Å; I219-L266 HydrophobicContact CD1-CD1 4.28Å; I219-L266 HydrophobicContact CG2-CD1 4.16Å; L232-L266 HydrophobicContact CD1-CD1 3.66Å; L232-L266 HydrophobicContact CD1-CD2 3.56Å; L232-L266 HydrophobicContact CD1-CG 4.28Å; V254-L266 CarbonylContact C-O 3.58Å; V254-L266 VanDerWaalsContact CA-O 3.29Å; V254-L266 WeakPolarHBondContact CA-O 3.39Å; V255-L266 PolarHBondContact N-O 3.25Å; V255-L266 PolarHBondContact O-N 3.02Å; F257-L266 HydrophobicContact CD2-CD1 4.25Å; F257-L266 HydrophobicContact CE2-CD1 3.87Å; L266-W275 HydrophobicContact CB-CE3 3.73Å; L266-W275 HydrophobicContact CB-CZ3 4.37Å; L266-E276 CarbonylContact C-O 3.5Å; L266-E276 WeakPolarHBondContact CA-O 3.29Å; L266-E277 HydrophobicContact CD2-CB 3.86Å; L266-E277 HydrophobicContact CD2-CG 3.99Å |
| 267 | S | 89.2 | Confident | 86.6 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.3 | 177 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | H253 S269 E276 C278 | H253-S267 CarbonylContact O-C 3.55Å; H253-S267 WeakPolarHBondContact O-CA 3.48Å; S267-S269 PolarHBondContact O-N 3.3Å; S267-E276 PolarHBondContact N-O 3.41Å; S267-E276 PolarHBondContact O-N 3.3Å; S267-C278 VanDerWaalsContact CB-SG 3.55Å |
| 268 | W | 85.5 | Confident | 86.3 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 18% | 0.178 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 128.8 | 171.1 | 178.6 | -107.1 | 0 | 0 | 0 | 109.7 | T209 H253 G273 W275 | T209-W268 HydrophobicContact CG2-CZ3 4.35Å; H253-W268 HydrophobicContact CB-CB 4.09Å; H253-W268 AromaticContact ND1-CD1 3.5Å; H253-W268 PolarHBondContact O-N 3.08Å; W268-G273 VanDerWaalsContact CH2-O 3.25Å; W268-G273 WeakPolarHBondContact CH2-O 3.29Å; W268-W275 HydrophobicContact CB-CD2 4.33Å; W268-W275 HydrophobicContact CB-CE3 4.22Å; W268-W275 HydrophobicContact CB-CH2 4.07Å; W268-W275 HydrophobicContact CB-CZ2 4.17Å; W268-W275 HydrophobicContact CB-CZ3 4.11Å; W268-W275 AromaticContact CE3-CD1 3.59Å; W268-W275 HydrophobicContact CE3-CD2 4.17Å; W268-W275 AromaticContact CE3-CE2 3.86Å; W268-W275 HydrophobicContact CE3-CG 4.02Å; W268-W275 AromaticContact CE3-NE1 3.51Å; W268-W275 AromaticContact CZ3-CD1 3.82Å; W268-W275 AromaticContact CZ3-NE1 3.9Å |
| 269 | S | 79.7 | Confident | 85.9 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 104 | 174.4 | -175.7 | 0 | 0 | 0 | 0 | 109 | S267 R271 K272 G273 G274 | S267-S269 PolarHBondContact O-N 3.3Å; S269-R271 PolarHBondContact O-N 3.13Å; S269-K272 PolarHBondContact O-N 3.47Å; S269-G273 PolarHBondContact O-N 3.18Å; S269-G274 PolarHBondContact N-O 3.12Å |
| 270 | P | 73 | Confident | 85.6 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -37.6 | -177.9 | -23.5 | 31.7 | 0 | 0 | 0 | 112.6 | G273 P333 | P270-G273 PolarHBondContact O-N 3.07Å; P270-P333 HydrophobicContact CG-CB 4.15Å; P270-P333 HydrophobicContact CG-CG 4.42Å |
| 271 | R | 72 | Confident | 85.4 | Confident | 206 Ų | 206 | 53.6 Ų | 53.6 | 78% | 0.777 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -33.6 | -177.5 | -60.5 | -176.7 | -170.1 | -168.6 | 0.4 | 113.7 | S269 E356 | S269-R271 PolarHBondContact O-N 3.13Å; R271-E356 IonicContact NH2-OE1 3.12Å |
| 272 | K | 78.3 | Confident | 85.3 | Confident | 157 Ų | 157 | 57.3 Ų | 57.3 | 68% | 0.683 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -14.2 | 177.3 | -64.9 | -166.2 | -172.3 | 171.4 | 0 | 113 | S269 G274 E276 | S269-K272 PolarHBondContact O-N 3.47Å; K272-G274 VanDerWaalsContact C-N 3.26Å; K272-G274 PolarHBondContact O-N 3.39Å; K272-E276 WeakPolarHBondContact CD-OE1 3.42Å; K272-E276 WeakPolarHBondContact CE-OE1 3.4Å; K272-E276 IonicContact NZ-OE1 3.58Å; K272-E276 PolarHBondContact NZ-OE1 2.87Å |
| 273 | G | 75.5 | Confident | 85.1 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 29.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W268 S269 P270 | W268-G273 VanDerWaalsContact CH2-O 3.25Å; W268-G273 WeakPolarHBondContact CH2-O 3.29Å; S269-G273 PolarHBondContact O-N 3.18Å; P270-G273 PolarHBondContact O-N 3.07Å |
| 274 | G | 83.3 | Confident | 84.6 | Confident | 16 Ų | 16 | 67 Ų | 67 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 167.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S269 K272 | S269-G274 PolarHBondContact N-O 3.12Å; K272-G274 VanDerWaalsContact C-N 3.26Å; K272-G274 PolarHBondContact O-N 3.39Å |
| 275 | W | 89.9 | Confident | 84.2 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 3% | 0.027 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 129.6 | 175.1 | -71.2 | 85.7 | 0 | 0 | 0 | 110.6 | A206 T209 L211 Q230 H253 V255 L266 W268 | A206-W275 HydrophobicContact CB-CH2 3.67Å; A206-W275 HydrophobicContact CB-CZ2 3.53Å; T209-W275 VanDerWaalsContact OG1-CZ2 3.26Å; T209-W275 WeakPolarHBondContact OG1-CZ2 3.43Å; T209-W275 PolarHBondContact OG1-NE1 2.94Å; L211-W275 HydrophobicContact CD1-CZ2 3.89Å; L211-W275 HydrophobicContact CD2-CD2 4.25Å; Q230-W275 PolarHBondContact NE2-O 3.35Å; Q230-W275 VanDerWaalsContact OE1-N 3.07Å; Q230-W275 PolarHBondContact OE1-O 3.38Å; H253-W275 VanDerWaalsContact O-CZ3 3.22Å; H253-W275 WeakPolarHBondContact O-CZ3 3.27Å; V255-W275 HydrophobicContact CB-CZ3 4.27Å; V255-W275 HydrophobicContact CG2-CH2 3.64Å; V255-W275 HydrophobicContact CG2-CZ2 4.4Å; V255-W275 HydrophobicContact CG2-CZ3 3.8Å; L266-W275 HydrophobicContact CB-CE3 3.73Å; L266-W275 HydrophobicContact CB-CZ3 4.37Å; W268-W275 HydrophobicContact CB-CD2 4.33Å; W268-W275 HydrophobicContact CB-CE3 4.22Å; W268-W275 HydrophobicContact CB-CH2 4.07Å; W268-W275 HydrophobicContact CB-CZ2 4.17Å; W268-W275 HydrophobicContact CB-CZ3 4.11Å; W268-W275 AromaticContact CE3-CD1 3.59Å; W268-W275 HydrophobicContact CE3-CD2 4.17Å; W268-W275 AromaticContact CE3-CE2 3.86Å; W268-W275 HydrophobicContact CE3-CG 4.02Å; W268-W275 AromaticContact CE3-NE1 3.51Å; W268-W275 AromaticContact CZ3-CD1 3.82Å; W268-W275 AromaticContact CZ3-NE1 3.9Å |
| 276 | E | 88 | Confident | 83.7 | Confident | 74 Ų | 74 | 72.5 Ų | 72.5 | 35% | 0.346 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.9 | 176.3 | -63 | -171.2 | 136.2 | 0 | 0 | 110.5 | L266 S267 K272 C278 | L266-E276 CarbonylContact C-O 3.5Å; L266-E276 WeakPolarHBondContact CA-O 3.29Å; S267-E276 PolarHBondContact N-O 3.41Å; S267-E276 PolarHBondContact O-N 3.3Å; K272-E276 WeakPolarHBondContact CD-OE1 3.42Å; K272-E276 WeakPolarHBondContact CE-OE1 3.4Å; K272-E276 IonicContact NZ-OE1 3.58Å; K272-E276 PolarHBondContact NZ-OE1 2.87Å; E276-C278 PolarHBondContact O-N 3.15Å |
| 277 | E | 88.1 | Confident | 83.5 | Confident | 82 Ų | 82 | 77.7 Ų | 77.7 | 38% | 0.383 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.1 | 172.9 | -170.4 | 173.2 | -163.1 | 0 | 0 | 110.4 | Y234 R264 L266 | Y234-E277 PolarHBondContact OH-OE1 3.49Å; Y234-E277 PolarHBondContact OH-OE2 2.87Å; R264-E277 IonicContact CZ-OE1 2.79Å; R264-E277 IonicContact NH1-OE1 2.73Å; R264-E277 PolarHBondContact NH1-OE1 3.31Å; R264-E277 IonicContact NH1-OE2 3.54Å; L266-E277 HydrophobicContact CD2-CB 3.86Å; L266-E277 HydrophobicContact CD2-CG 3.99Å |
| 278 | C | 87.2 | Confident | 83.6 | Confident | 22 Ų | 22 | 78.7 Ų | 78.7 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 170.6 | 171.8 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | M1 V265 S267 E276 L280 | M1-C278 PolarHBondContact N-SG 3.13Å; V265-C278 HydrophobicContact CB-CB 4.07Å; V265-C278 HydrophobicContact CG1-CB 4.28Å; V265-C278 VanDerWaalsContact O-CB 3.28Å; V265-C278 WeakPolarHBondContact O-CB 3.42Å; V265-C278 PolarHBondContact O-N 3.08Å; S267-C278 VanDerWaalsContact CB-SG 3.55Å; E276-C278 PolarHBondContact O-N 3.15Å; C278-L280 PolarHBondContact O-N 3.36Å |
| 279 | K | 84.8 | Confident | 83.9 | Confident | 191 Ų | 191 | 76.5 Ų | 76.5 | 83% | 0.83 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 118.1 | 176.1 | -171.5 | 174.7 | -178.3 | 176.2 | 0 | 110.8 | K281 | K279-K281 PolarHBondContact O-N 3.47Š|
| 280 | L | 84.3 | Confident | 84.5 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 133.1 | 177.9 | 176.4 | 66.7 | 0 | 0 | 0 | 110.9 | R262 R264 C278 | R262-L280 HydrophobicContact CB-CD1 4.18Å; R262-L280 HydrophobicContact CG-CD1 4.25Å; R264-L280 HydrophobicContact CG-CD1 3.52Å; C278-L280 PolarHBondContact O-N 3.36Å |
| 281 | K | 87.8 | Confident | 85.5 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 96 | 171.9 | -170.5 | 72.6 | 173.3 | -169 | 0 | 109.2 | L3 R262 I263 K279 I283 | L3-K281 HydrophobicContact CD1-CB 4.49Å; R262-K281 WeakPolarHBondContact CA-O 3.46Å; I263-K281 HydrophobicContact CB-CB 4.27Å; I263-K281 PolarHBondContact N-O 2.71Å; I263-K281 PolarHBondContact O-N 3.32Å; K279-K281 PolarHBondContact O-N 3.47Å; K281-I283 HydrophobicContact CG-CD1 4.34Å; K281-I283 HydrophobicContact CG-CG1 4.3Å |
| 282 | E | 87 | Confident | 86.5 | Confident | 104 Ų | 104 | 65 Ų | 65 | 49% | 0.486 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.2 | 174.2 | -171.4 | 168.4 | -136.9 | 0 | 0 | 109.8 | N261 R262 | N261-E282 WeakPolarHBondContact O-CA 3.38Å; R262-E282 HydrophobicContact CG-CB 4.32Å; R262-E282 HydrophobicContact CG-CG 4.08Å; R262-E282 IonicContact CZ-OE1 2.61Å; R262-E282 IonicContact NE-OE1 3.16Å; R262-E282 PolarHBondContact NE-OE1 3.11Å; R262-E282 IonicContact NH2-OE1 3.9Å; R262-E282 PolarHBondContact NH2-OE1 3.44Å |
| 283 | I | 85.9 | Confident | 87.2 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | trans | -122.5 | 109.2 | 177.2 | -56.3 | 175.6 | 0 | 0 | 0 | 106.7 | N261 K281 L286 F313 | N261-I283 VanDerWaalsContact CB-O 3.32Å; N261-I283 WeakPolarHBondContact CB-O 3.35Å; N261-I283 PolarHBondContact O-N 3.37Å; K281-I283 HydrophobicContact CG-CD1 4.34Å; K281-I283 HydrophobicContact CG-CG1 4.3Å; I283-L286 HydrophobicContact CB-CB 4.14Å; I283-L286 HydrophobicContact CB-CD2 4.25Å; I283-L286 HydrophobicContact CD1-CD2 4.34Å; I283-L286 HydrophobicContact CG2-CB 4.18Å; I283-L286 HydrophobicContact CG2-CD1 4.18Å; I283-L286 WeakPolarHBondContact O-CB 3.32Å; I283-L286 PolarHBondContact O-N 3.35Å; I283-F313 HydrophobicContact CD1-CE1 3.99Å; I283-F313 HydrophobicContact CD1-CZ 3.63Å | ||
| 284 | K | 82.5 | Confident | 87.9 | Confident | 174 Ų | 174 | 56.4 Ų | 56.4 | 76% | 0.757 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 140.1 | 179.1 | -64.1 | -175.9 | 179.4 | -177.8 | 0 | 109.7 | L286 | K284-L286 VanDerWaalsContact C-N 3.26Å; K284-L286 PolarHBondContact O-N 3.06Å |
| 285 | N | 82.4 | Confident | 88.3 | Confident | 124 Ų | 124 | 56.3 Ų | 56.3 | 66% | 0.663 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 18.1 | 178.1 | -47.4 | -24.5 | 0 | 0 | 0 | 115.2 | N261 Y287 | N261-N285 PolarHBondContact OD1-N 3.22Å; N285-Y287 VanDerWaalsContact C-N 3.28Å; N285-Y287 WeakPolarHBondContact O-CD2 3.29Å |
| 286 | L | 82.1 | Confident | 88.1 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | trans | -75.7 | -19.2 | 172.4 | -162.8 | 74.5 | 0 | 0 | 0 | 112.4 | N261 I283 K284 I289 T305 | N261-L286 PolarHBondContact OD1-N 3.41Å; I283-L286 HydrophobicContact CB-CB 4.14Å; I283-L286 HydrophobicContact CB-CD2 4.25Å; I283-L286 HydrophobicContact CD1-CD2 4.34Å; I283-L286 HydrophobicContact CG2-CB 4.18Å; I283-L286 HydrophobicContact CG2-CD1 4.18Å; I283-L286 WeakPolarHBondContact O-CB 3.32Å; I283-L286 PolarHBondContact O-N 3.35Å; K284-L286 VanDerWaalsContact C-N 3.26Å; K284-L286 PolarHBondContact O-N 3.06Å; L286-I289 HydrophobicContact CD2-CD1 4.08Å; L286-I289 HydrophobicContact CD2-CG1 4.02Å; L286-T305 HydrophobicContact CD1-CG2 3.66Å; L286-T305 HydrophobicContact CD2-CG2 4.38Å; L286-T305 HydrophobicContact CG-CG2 3.61Å; L286-T305 WeakPolarHBondContact O-CB 3.4Å; L286-T305 WeakPolarHBondContact O-CG2 3.38Å | ||
| 287 | Y | 86.9 | Confident | 87.7 | Confident | 109 Ų | 109 | 57.3 Ų | 57.3 | 43% | 0.427 | 27% | 0.273 | S | S | . | . | trans | 57.1 | -163.3 | -171.5 | -70.5 | -98.1 | 0 | 0 | 0 | 112 | F260 N261 N285 I289 | F260-Y287 AromaticContact CE2-CD1 3.68Å; F260-Y287 HydrophobicContact CE2-CD1 3.68Å; F260-Y287 HydrophobicContact CE2-CE1 4.44Å; F260-Y287 HydrophobicContact CE2-CG 4.2Å; F260-Y287 HydrophobicContact CZ-CD1 4.09Å; N261-Y287 PolarHBondContact N-O 3.06Å; N261-Y287 PolarHBondContact OD1-N 3.24Å; N285-Y287 VanDerWaalsContact C-N 3.28Å; N285-Y287 WeakPolarHBondContact O-CD2 3.29Å; Y287-I289 PolarHBondContact O-N 2.92Å | ||
| 288 | T | 90.8 | Very high | 87.7 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -66 | 128.7 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | T244 Y306 | T244-T288 HydrophobicContact CG2-CG2 3.46Å; T244-T288 VanDerWaalsContact CG2-CG2 3.46Å; T288-Y306 WeakPolarHBondContact O-CB 3.16Å; T288-Y306 PolarHBondContact O-N 3.4Å |
| 289 | I | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.5 | 169.7 | -65.7 | 170.9 | 0 | 0 | 0 | 108.8 | T244 V245 S259 R262 I263 L286 Y287 I292 V303 G304 | T244-I289 WeakPolarHBondContact CB-O 3.41Å; T244-I289 PolarHBondContact OG1-O 3.4Å; V245-I289 HydrophobicContact CG2-CG2 3.83Å; S259-I289 PolarHBondContact O-N 3.32Å; R262-I289 VanDerWaalsContact O-CD1 3.22Å; R262-I289 WeakPolarHBondContact O-CD1 3.42Å; I263-I289 HydrophobicContact CB-CD1 4.44Å; I263-I289 HydrophobicContact CD1-CD1 4.35Å; I263-I289 HydrophobicContact CG1-CD1 3.37Å; L286-I289 HydrophobicContact CD2-CD1 4.08Å; L286-I289 HydrophobicContact CD2-CG1 4.02Å; Y287-I289 PolarHBondContact O-N 2.92Å; I289-I292 HydrophobicContact CG2-CD1 3.89Å; I289-I292 HydrophobicContact CG2-CG1 3.6Å; I289-V303 HydrophobicContact CB-CG1 4.27Å; I289-V303 HydrophobicContact CD1-CG1 3.77Å; I289-V303 HydrophobicContact CG1-CG1 3.76Å; I289-V303 HydrophobicContact CG2-CG1 3.56Å; I289-G304 CarbonylContact C-O 3.6Å; I289-G304 WeakPolarHBondContact CA-O 3.45Å |
| 290 | T | 92.7 | Very high | 88 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -17.1 | -173.6 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | K18 V19 V245 G304 T305 Y306 | K18-T290 HydrophobicContact CD-CG2 4.28Å; K18-T290 HydrophobicContact CG-CG2 4.01Å; V19-T290 WeakPolarHBondContact O-CB 3.18Å; V19-T290 PolarHBondContact O-OG1 2.91Å; V245-T290 WeakPolarHBondContact CG1-O 2.94Å; T290-G304 PolarHBondContact N-O 3.39Å; T290-G304 PolarHBondContact OG1-O 3.3Å; T290-T305 PolarHBondContact OG1-O 3.42Å; T290-Y306 HydrophobicContact CG2-CD2 4.25Å |
| 291 | A | 92.9 | Very high | 88.3 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 5% | 0.05 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 141.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V19 V22 G304 | V19-A291 HydrophobicContact CG1-CB 4.36Å; V22-A291 HydrophobicContact CB-CB 4.23Å; V22-A291 HydrophobicContact CG2-CB 3.85Å; A291-G304 PolarHBondContact N-O 3.36Å; A291-G304 PolarHBondContact O-N 2.93Å |
| 292 | I | 94.1 | Very high | 88.6 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 137.6 | 173.2 | -66.6 | -179.9 | 0 | 0 | 0 | 107.9 | V245 A256 I289 L301 V302 V303 | V245-I292 HydrophobicContact CG2-CB 4.33Å; V245-I292 HydrophobicContact CG2-CD1 3.77Å; V245-I292 HydrophobicContact CG2-CG1 3.7Å; A256-I292 HydrophobicContact CB-CG2 4.5Å; I289-I292 HydrophobicContact CG2-CD1 3.89Å; I289-I292 HydrophobicContact CG2-CG1 3.6Å; I292-L301 HydrophobicContact CG2-CD1 3.35Å; I292-L301 HydrophobicContact CG2-CG 4.23Å; I292-V302 WeakPolarHBondContact CA-O 3.48Å; I292-V303 HydrophobicContact CG1-CG2 4.46Å |
| 293 | G | 92 | Very high | 89 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 124.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | W24 V302 | W24-G293 PolarHBondContact NE1-O 3.3Å; G293-V302 PolarHBondContact N-O 3.08Å; G293-V302 PolarHBondContact O-N 3.39Å |
| 294 | W | 91 | Very high | 89.3 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 5% | 0.045 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 141.3 | 170.3 | -72.4 | 97.9 | 0 | 0 | 0 | 111.1 | M1 L3 W24 S247 C248 N249 V254 A256 G298 L301 C315 | M1-W294 HydrophobicContact CE-CH2 4.07Å; M1-W294 HydrophobicContact CE-CZ3 4.02Å; L3-W294 HydrophobicContact CD2-CH2 4.49Å; W24-W294 WeakPolarHBondContact CB-O 3.48Å; W24-W294 VanDerWaalsContact CD1-C 3.41Å; W24-W294 VanDerWaalsContact CD1-O 3.27Å; S247-W294 PolarHBondContact O-NE1 3Å; C248-W294 VanDerWaalsContact C-CD1 3.46Å; N249-W294 HydrophobicContact CB-CD2 4Å; N249-W294 HydrophobicContact CB-CE3 4.24Å; N249-W294 HydrophobicContact CB-CG 4.38Å; N249-W294 HydrophobicContact CB-CZ2 4.43Å; V254-W294 HydrophobicContact CG1-CH2 4.29Å; V254-W294 HydrophobicContact CG1-CZ2 4.19Å; A256-W294 HydrophobicContact CB-CZ2 3.95Å; W294-G298 WeakPolarHBondContact CZ3-O 3.19Å; W294-L301 HydrophobicContact CD2-CB 4.43Å; W294-L301 HydrophobicContact CD2-CD1 3.57Å; W294-L301 VanDerWaalsContact CE2-CD1 3.49Å; W294-L301 HydrophobicContact CE3-CB 4.12Å; W294-L301 HydrophobicContact CE3-CD1 4.12Å; W294-L301 HydrophobicContact CG-CD1 3.82Å; W294-L301 HydrophobicContact CH2-CB 4.29Å; W294-L301 HydrophobicContact CH2-CD1 4.48Å; W294-L301 HydrophobicContact CH2-CD2 4.3Å; W294-L301 HydrophobicContact CZ2-CD1 3.98Å; W294-L301 HydrophobicContact CZ2-CD2 4.08Å; W294-L301 HydrophobicContact CZ2-CG 4.45Å; W294-L301 HydrophobicContact CZ3-CB 4.08Å; W294-C315 HydrophobicContact CH2-CB 4.22Å; W294-C315 HydrophobicContact CZ3-CB 3.63Å; W294-C315 WeakPolarHBondContact CZ3-SG 3.42Å |
| 295 | K | 90.7 | Very high | 89.8 | Confident | 15 Ų | 15 | 24.4 Ų | 24.4 | 7% | 0.065 | 12% | 0.124 | C | C | . | . | trans | -63.9 | 146 | 161.3 | -170.9 | 174.4 | 177.1 | -148.5 | 0 | 108.7 | W24 N28 E45 P250 D297 G298 K300 | W24-K295 HydrophobicContact CD2-CB 3.87Å; W24-K295 HydrophobicContact CD2-CG 4.02Å; W24-K295 HydrophobicContact CE3-CB 4.12Å; W24-K295 HydrophobicContact CE3-CD 4.24Å; W24-K295 HydrophobicContact CE3-CG 3.72Å; W24-K295 HydrophobicContact CG-CB 4.34Å; W24-K295 HydrophobicContact CH2-CB 4.3Å; W24-K295 HydrophobicContact CH2-CD 3.78Å; W24-K295 HydrophobicContact CH2-CG 4.07Å; W24-K295 HydrophobicContact CZ2-CB 4.08Å; W24-K295 HydrophobicContact CZ2-CD 4.34Å; W24-K295 HydrophobicContact CZ2-CG 4.35Å; W24-K295 HydrophobicContact CZ3-CB 4.32Å; W24-K295 HydrophobicContact CZ3-CD 3.72Å; W24-K295 HydrophobicContact CZ3-CG 3.75Å; N28-K295 VanDerWaalsContact CB-CE 3.46Å; N28-K295 HydrophobicContact CB-CG 4.37Å; N28-K295 WeakPolarHBondContact OD1-CG 3.46Å; E45-K295 IonicContact OE2-NZ 3.3Å; P250-K295 VanDerWaalsContact CG-O 3.29Å; P250-K295 WeakPolarHBondContact CG-O 3.42Å; K295-D297 VanDerWaalsContact CD-OD1 3.24Å; K295-D297 WeakPolarHBondContact CD-OD1 3.37Å; K295-D297 WeakPolarHBondContact CE-OD2 3.43Å; K295-D297 VanDerWaalsContact CG-OD1 3.22Å; K295-D297 WeakPolarHBondContact CG-OD1 3.16Å; K295-D297 IonicContact NZ-OD1 2.62Å; K295-D297 IonicContact NZ-OD2 3.95Å; K295-D297 PolarHBondContact NZ-OD2 3.44Å; K295-D297 PolarHBondContact O-N 3.43Å; K295-G298 VanDerWaalsContact O-CA 3.31Å; K295-G298 WeakPolarHBondContact O-CA 3.43Å; K295-G298 PolarHBondContact O-N 2.92Å; K295-K300 HydrophobicContact CB-CB 4.04Å; K295-K300 WeakPolarHBondContact CB-O 3.49Å; K295-K300 HydrophobicContact CD-CB 4.16Å; K295-K300 HydrophobicContact CD-CD 4.39Å; K295-K300 HydrophobicContact CD-CG 4.33Å; K295-K300 PolarHBondContact N-O 3.5Å | ||
| 296 | Q | 85.1 | Confident | 90.3 | Very high | 93 Ų | 93 | 22.4 Ų | 22.4 | 44% | 0.435 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -15.4 | -174.3 | -68.3 | -58.9 | -23.7 | 0 | 0 | 114.5 | N28 P250 G298 | N28-Q296 WeakPolarHBondContact OD1-CA 3.27Å; N28-Q296 WeakPolarHBondContact OD1-CB 3.39Å; N28-Q296 PolarHBondContact OD1-N 3.37Å; P250-Q296 VanDerWaalsContact CB-O 3.23Å; P250-Q296 WeakPolarHBondContact CB-O 3.46Å; P250-Q296 VanDerWaalsContact CG-C 3.48Å; P250-Q296 WeakPolarHBondContact CG-O 3.38Å; Q296-G298 VanDerWaalsContact C-N 3.3Å |
| 297 | D | 81.4 | Confident | 90.7 | Very high | 9 Ų | 9 | 22.8 Ų | 22.8 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.1 | 166.1 | 63.6 | 14.4 | 0 | 0 | 0 | 113.1 | N28 K295 S299 Q335 I337 V348 | N28-D297 PolarHBondContact OD1-N 3.38Å; K295-D297 VanDerWaalsContact CD-OD1 3.24Å; K295-D297 WeakPolarHBondContact CD-OD1 3.37Å; K295-D297 WeakPolarHBondContact CE-OD2 3.43Å; K295-D297 VanDerWaalsContact CG-OD1 3.22Å; K295-D297 WeakPolarHBondContact CG-OD1 3.16Å; K295-D297 IonicContact NZ-OD1 2.62Å; K295-D297 IonicContact NZ-OD2 3.95Å; K295-D297 PolarHBondContact NZ-OD2 3.44Å; K295-D297 PolarHBondContact O-N 3.43Å; D297-S299 PolarHBondContact O-N 2.91Å; D297-S299 VanDerWaalsContact OD1-CB 3.28Å; D297-S299 WeakPolarHBondContact OD1-CB 2.96Å; D297-S299 PolarHBondContact OD1-N 3.38Å; D297-S299 PolarHBondContact OD1-OG 2.93Å; D297-S299 PolarHBondContact OD2-OG 3.36Å; D297-S299 VanDerWaalsContact OD2-OG 3.08Å; D297-Q335 PolarHBondContact O-NE2 3.46Å; D297-I337 HydrophobicContact CB-CD1 3.79Å; D297-I337 HydrophobicContact CB-CG1 4.45Å; D297-V348 HydrophobicContact CB-CG2 3.8Å |
| 298 | G | 86.3 | Confident | 90.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 70.8 | 1.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | W294 K295 Q296 K300 V331 | W294-G298 WeakPolarHBondContact CZ3-O 3.19Å; K295-G298 VanDerWaalsContact O-CA 3.31Å; K295-G298 WeakPolarHBondContact O-CA 3.43Å; K295-G298 PolarHBondContact O-N 2.92Å; Q296-G298 VanDerWaalsContact C-N 3.3Å; G298-K300 VanDerWaalsContact C-N 3.27Å; G298-K300 PolarHBondContact O-N 3.49Å; G298-V331 WeakPolarHBondContact O-CG1 3.36Å |
| 299 | S | 87.8 | Confident | 90.8 | Very high | 24 Ų | 24 | 15.8 Ų | 15.8 | 17% | 0.168 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -70.2 | -21.7 | -177.5 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | D297 C315 | D297-S299 PolarHBondContact O-N 2.91Å; D297-S299 VanDerWaalsContact OD1-CB 3.28Å; D297-S299 WeakPolarHBondContact OD1-CB 2.96Å; D297-S299 PolarHBondContact OD1-N 3.38Å; D297-S299 PolarHBondContact OD1-OG 2.93Å; D297-S299 PolarHBondContact OD2-OG 3.36Å; D297-S299 VanDerWaalsContact OD2-OG 3.08Å; S299-C315 WeakPolarHBondContact O-CB 3.39Å; S299-C315 PolarHBondContact O-N 2.98Å |
| 300 | K | 90.8 | Very high | 90.9 | Very high | 28 Ų | 28 | 15.8 Ų | 15.8 | 12% | 0.122 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.7 | -176.5 | -64.7 | -173.2 | -179.7 | -175.6 | 0 | 112 | W24 E45 K295 G298 L312 F313 D314 | W24-K300 HydrophobicContact CH2-CD 4.44Å; W24-K300 HydrophobicContact CZ2-CB 4.25Å; E45-K300 PolarHBondContact O-NZ 2.85Å; K295-K300 HydrophobicContact CB-CB 4.04Å; K295-K300 WeakPolarHBondContact CB-O 3.49Å; K295-K300 HydrophobicContact CD-CB 4.16Å; K295-K300 HydrophobicContact CD-CD 4.39Å; K295-K300 HydrophobicContact CD-CG 4.33Å; K295-K300 PolarHBondContact N-O 3.5Å; G298-K300 VanDerWaalsContact C-N 3.27Å; G298-K300 PolarHBondContact O-N 3.49Å; K300-L312 HydrophobicContact CB-CD1 4.03Å; K300-L312 HydrophobicContact CD-CD1 4.02Å; K300-L312 HydrophobicContact CD-CD2 4.05Å; K300-L312 HydrophobicContact CD-CG 4.22Å; K300-F313 CarbonylContact C-O 3.58Å; K300-F313 WeakPolarHBondContact CA-O 3.08Å; K300-D314 VanDerWaalsContact CE-OD1 3.32Å; K300-D314 WeakPolarHBondContact CE-OD1 3.27Å; K300-D314 WeakPolarHBondContact CG-OD1 3.3Å |
| 301 | L | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.7 | 174.5 | -178.5 | 64.5 | 0 | 0 | 0 | 108.9 | L3 A256 I263 I292 W294 V303 F313 C315 | L3-L301 HydrophobicContact CD1-CD2 4.32Å; L3-L301 HydrophobicContact CD2-CD2 4.16Å; A256-L301 HydrophobicContact CB-CD2 3.99Å; I263-L301 HydrophobicContact CG2-CD2 4.48Å; I292-L301 HydrophobicContact CG2-CD1 3.35Å; I292-L301 HydrophobicContact CG2-CG 4.23Å; W294-L301 HydrophobicContact CD2-CB 4.43Å; W294-L301 HydrophobicContact CD2-CD1 3.57Å; W294-L301 VanDerWaalsContact CE2-CD1 3.49Å; W294-L301 HydrophobicContact CE3-CB 4.12Å; W294-L301 HydrophobicContact CE3-CD1 4.12Å; W294-L301 HydrophobicContact CG-CD1 3.82Å; W294-L301 HydrophobicContact CH2-CB 4.29Å; W294-L301 HydrophobicContact CH2-CD1 4.48Å; W294-L301 HydrophobicContact CH2-CD2 4.3Å; W294-L301 HydrophobicContact CZ2-CD1 3.98Å; W294-L301 HydrophobicContact CZ2-CD2 4.08Å; W294-L301 HydrophobicContact CZ2-CG 4.45Å; W294-L301 HydrophobicContact CZ3-CB 4.08Å; L301-V303 HydrophobicContact CD2-CG2 4.24Å; L301-V303 HydrophobicContact CG-CG2 4.13Å; L301-F313 HydrophobicContact CB-CB 4.37Å; L301-F313 PolarHBondContact N-O 3.42Å; L301-F313 PolarHBondContact O-N 3.14Å; L301-C315 WeakPolarHBondContact CB-SG 3.48Å; L301-C315 PolarHBondContact N-SG 2.83Å |
| 302 | V | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 134.3 | 172.6 | -179.8 | 0 | 0 | 0 | 0 | 109 | V22 W24 I31 I292 G293 V310 D311 L312 | V22-V302 HydrophobicContact CG1-CB 3.91Å; V22-V302 HydrophobicContact CG1-CG1 3.63Å; V22-V302 HydrophobicContact CG2-CG1 4.33Å; W24-V302 HydrophobicContact CZ2-CG2 3.72Å; I31-V302 HydrophobicContact CD1-CG2 4.37Å; I31-V302 HydrophobicContact CG2-CG2 4.19Å; I292-V302 WeakPolarHBondContact CA-O 3.48Å; G293-V302 PolarHBondContact N-O 3.08Å; G293-V302 PolarHBondContact O-N 3.39Å; V302-V310 HydrophobicContact CG1-CG1 3.56Å; V302-D311 WeakPolarHBondContact CA-O 3.45Å; V302-L312 HydrophobicContact CG2-CD1 3.36Å |
| 303 | V | 94 | Very high | 90.7 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.3 | -179 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | I263 I289 I292 L301 V310 D311 F313 | I263-V303 HydrophobicContact CD1-CG1 4.41Å; I263-V303 HydrophobicContact CD1-CG2 3.94Å; I289-V303 HydrophobicContact CB-CG1 4.27Å; I289-V303 HydrophobicContact CD1-CG1 3.77Å; I289-V303 HydrophobicContact CG1-CG1 3.76Å; I289-V303 HydrophobicContact CG2-CG1 3.56Å; I292-V303 HydrophobicContact CG1-CG2 4.46Å; L301-V303 HydrophobicContact CD2-CG2 4.24Å; L301-V303 HydrophobicContact CG-CG2 4.13Å; V303-V310 CarbonylContact O-C 3.6Å; V303-V310 VanDerWaalsContact O-CA 3.3Å; V303-V310 WeakPolarHBondContact O-CA 3.37Å; V303-D311 PolarHBondContact N-O 3.46Å; V303-D311 PolarHBondContact O-N 2.85Å; V303-F313 HydrophobicContact CB-CE2 4.11Å; V303-F313 HydrophobicContact CG2-CD2 3.93Å; V303-F313 HydrophobicContact CG2-CE2 3.84Å |
| 304 | G | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 142.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I289 T290 A291 G309 | I289-G304 CarbonylContact C-O 3.6Å; I289-G304 WeakPolarHBondContact CA-O 3.45Å; T290-G304 PolarHBondContact N-O 3.39Å; T290-G304 PolarHBondContact OG1-O 3.3Å; A291-G304 PolarHBondContact N-O 3.36Å; A291-G304 PolarHBondContact O-N 2.93Å; G304-G309 WeakPolarHBondContact CA-O 3.47Å |
| 305 | T | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 164.4 | -173.6 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | V19 L286 T290 C307 G308 G309 | V19-T305 WeakPolarHBondContact CG2-O 3.39Å; V19-T305 PolarHBondContact N-O 3.18Å; V19-T305 VanDerWaalsContact N-O 3.13Å; L286-T305 HydrophobicContact CD1-CG2 3.66Å; L286-T305 HydrophobicContact CD2-CG2 4.38Å; L286-T305 HydrophobicContact CG-CG2 3.61Å; L286-T305 WeakPolarHBondContact O-CB 3.4Å; L286-T305 WeakPolarHBondContact O-CG2 3.38Å; T290-T305 PolarHBondContact OG1-O 3.42Å; T305-C307 VanDerWaalsContact C-N 3.28Å; T305-C307 PolarHBondContact O-N 2.65Å; T305-G308 PolarHBondContact O-N 3.2Å; T305-G309 PolarHBondContact N-O 3.24Å; T305-G309 VanDerWaalsContact OG1-CA 3.26Å; T305-G309 WeakPolarHBondContact OG1-CA 3.32Å; T305-G309 PolarHBondContact OG1-N 3.25Å; T305-G309 PolarHBondContact OG1-O 3.2Å |
| 306 | Y | 91.3 | Very high | 90.2 | Very high | 81 Ų | 81 | 16.4 Ų | 16.4 | 32% | 0.318 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -30.5 | 175.9 | -174.4 | -107.4 | 0 | 0 | 0 | 113.6 | E16 A17 K18 T288 T290 G308 | E16-Y306 HydrophobicContact CB-CE1 4.43Å; E16-Y306 VanDerWaalsContact CD-CZ 3.46Å; E16-Y306 HydrophobicContact CG-CE1 3.85Å; E16-Y306 HydrophobicContact CG-CE2 4.1Å; E16-Y306 WeakPolarHBondContact OE1-CE2 3.22Å; E16-Y306 PolarHBondContact OE1-OH 3.32Å; E16-Y306 PolarHBondContact OE2-OH 3.36Å; A17-Y306 CarbonylContact C-O 3.59Å; A17-Y306 VanDerWaalsContact C-O 3.3Å; A17-Y306 PolarHBondContact N-O 3Å; K18-Y306 WeakPolarHBondContact CA-O 3.35Å; K18-Y306 HydrophobicContact CB-CD2 4.03Å; K18-Y306 HydrophobicContact CB-CE2 4.32Å; K18-Y306 HydrophobicContact CD-CD2 4.17Å; K18-Y306 HydrophobicContact CD-CE2 4.33Å; K18-Y306 HydrophobicContact CG-CD2 4.21Å; K18-Y306 PolarHBondContact N-O 3.19Å; T288-Y306 WeakPolarHBondContact O-CB 3.16Å; T288-Y306 PolarHBondContact O-N 3.4Å; T290-Y306 HydrophobicContact CG2-CD2 4.25Å; Y306-G308 VanDerWaalsContact C-N 3.28Å; Y306-G308 PolarHBondContact O-N 3.24Å |
| 307 | C | 91.1 | Very high | 90 | Very high | 16 Ų | 16 | 14.9 Ų | 14.9 | 11% | 0.108 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 19.3 | 176.1 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | Q13 T305 G309 | Q13-C307 PolarHBondContact N-O 2.96Å; T305-C307 VanDerWaalsContact C-N 3.28Å; T305-C307 PolarHBondContact O-N 2.65Å; C307-G309 VanDerWaalsContact C-N 3.26Å; C307-G309 PolarHBondContact O-N 2.66Å |
| 308 | G | 89.6 | Confident | 90.2 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 81.6 | -5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116 | I10 A17 T305 Y306 | I10-G308 WeakPolarHBondContact CG2-O 3.42Å; A17-G308 WeakPolarHBondContact O-CA 3.4Å; A17-G308 PolarHBondContact O-N 3.47Å; A17-G308 VanDerWaalsContact O-N 3.16Å; T305-G308 PolarHBondContact O-N 3.2Å; Y306-G308 VanDerWaalsContact C-N 3.28Å; Y306-G308 PolarHBondContact O-N 3.24Å |
| 309 | G | 91.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | trans | -67 | 139.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I10 G304 T305 C307 | I10-G309 CarbonylContact O-C 3.57Å; I10-G309 VanDerWaalsContact O-CA 3.27Å; I10-G309 WeakPolarHBondContact O-CA 3.14Å; G304-G309 WeakPolarHBondContact CA-O 3.47Å; T305-G309 PolarHBondContact N-O 3.24Å; T305-G309 VanDerWaalsContact OG1-CA 3.26Å; T305-G309 WeakPolarHBondContact OG1-CA 3.32Å; T305-G309 PolarHBondContact OG1-N 3.25Å; T305-G309 PolarHBondContact OG1-O 3.2Å; C307-G309 VanDerWaalsContact C-N 3.26Å; C307-G309 PolarHBondContact O-N 2.66Å | ||
| 310 | V | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 115.7 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | T8 L9 I10 V19 V33 V302 V303 | T8-V310 CarbonylContact C-O 3.59Å; L9-V310 HydrophobicContact CB-CB 4.24Å; L9-V310 HydrophobicContact CB-CG1 4.06Å; L9-V310 HydrophobicContact CD1-CG1 3.98Å; L9-V310 HydrophobicContact CG-CG1 4.34Å; L9-V310 PolarHBondContact N-O 3.41Å; I10-V310 HydrophobicContact CB-CB 4.06Å; I10-V310 HydrophobicContact CB-CG2 4.11Å; I10-V310 HydrophobicContact CD1-CG2 4.02Å; I10-V310 HydrophobicContact CG1-CB 4.24Å; I10-V310 HydrophobicContact CG1-CG2 4.22Å; I10-V310 PolarHBondContact N-O 3.14Å; I10-V310 PolarHBondContact O-N 3.2Å; V19-V310 HydrophobicContact CG1-CG2 4.27Å; V19-V310 HydrophobicContact CG2-CG2 3.73Å; V33-V310 HydrophobicContact CG1-CG2 3.81Å; V33-V310 HydrophobicContact CG2-CG1 4.34Å; V302-V310 HydrophobicContact CG1-CG1 3.56Å; V303-V310 CarbonylContact O-C 3.6Å; V303-V310 VanDerWaalsContact O-CA 3.3Å; V303-V310 WeakPolarHBondContact O-CA 3.37Å |
| 311 | D | 92.2 | Very high | 90.1 | Very high | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.08 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.6 | 180 | -74.7 | -51.9 | 0 | 0 | 0 | 111.5 | H5 T8 V302 V303 F313 | H5-D311 IonicContact CD2-OD1 3.69Å; H5-D311 IonicContact NE2-OD1 2.69Å; H5-D311 PolarHBondContact NE2-OD1 3.4Å; H5-D311 VanDerWaalsContact NE2-OD1 3.08Å; T8-D311 WeakPolarHBondContact CA-OD1 3.35Å; T8-D311 VanDerWaalsContact CB-OD1 3.27Å; T8-D311 WeakPolarHBondContact CB-OD1 3.35Å; T8-D311 WeakPolarHBondContact CG2-OD1 3.41Å; T8-D311 PolarHBondContact OG1-OD1 3.45Å; V302-D311 WeakPolarHBondContact CA-O 3.45Å; V303-D311 PolarHBondContact N-O 3.46Å; V303-D311 PolarHBondContact O-N 2.85Å; D311-F313 HydrophobicContact CB-CD2 4.47Å; D311-F313 HydrophobicContact CB-CE2 3.69Å; D311-F313 HydrophobicContact CB-CZ 4.08Å |
| 312 | L | 92.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.4 | 175 | -175.5 | 70.5 | 0 | 0 | 0 | 108.7 | S6 K7 L9 W24 K300 V302 | S6-L312 WeakPolarHBondContact CA-O 3.14Å; S6-L312 VanDerWaalsContact CB-O 3.27Å; S6-L312 WeakPolarHBondContact CB-O 3.24Å; S6-L312 PolarHBondContact N-O 2.91Å; K7-L312 PolarHBondContact N-O 3.22Å; K7-L312 VanDerWaalsContact O-CB 3.31Å; K7-L312 WeakPolarHBondContact O-CB 3.27Å; K7-L312 PolarHBondContact O-N 3.21Å; L9-L312 HydrophobicContact CG-CB 4.42Å; W24-L312 HydrophobicContact CZ2-CD1 3.89Å; K300-L312 HydrophobicContact CB-CD1 4.03Å; K300-L312 HydrophobicContact CD-CD1 4.02Å; K300-L312 HydrophobicContact CD-CD2 4.05Å; K300-L312 HydrophobicContact CD-CG 4.22Å; V302-L312 HydrophobicContact CG2-CD1 3.36Å |
| 313 | F | 91.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.1 | 175.5 | -63.2 | -91.6 | 0 | 0 | 0 | 110.2 | L3 I4 H5 I263 I283 K300 L301 V303 D311 | L3-F313 HydrophobicContact CB-CD1 4.43Å; L3-F313 HydrophobicContact CD2-CB 4.46Å; I4-F313 CarbonylContact O-C 3.51Å; I4-F313 WeakPolarHBondContact O-CA 3.46Å; H5-F313 HydrophobicContact CB-CD1 4.19Å; H5-F313 HydrophobicContact CB-CE1 4.02Å; I263-F313 HydrophobicContact CD1-CD2 4.41Å; I263-F313 HydrophobicContact CD1-CE1 4.47Å; I263-F313 HydrophobicContact CD1-CE2 3.75Å; I263-F313 HydrophobicContact CD1-CZ 3.79Å; I283-F313 HydrophobicContact CD1-CE1 3.99Å; I283-F313 HydrophobicContact CD1-CZ 3.63Å; K300-F313 CarbonylContact C-O 3.58Å; K300-F313 WeakPolarHBondContact CA-O 3.08Å; L301-F313 HydrophobicContact CB-CB 4.37Å; L301-F313 PolarHBondContact N-O 3.42Å; L301-F313 PolarHBondContact O-N 3.14Å; V303-F313 HydrophobicContact CB-CE2 4.11Å; V303-F313 HydrophobicContact CG2-CD2 3.93Å; V303-F313 HydrophobicContact CG2-CE2 3.84Å; D311-F313 HydrophobicContact CB-CD2 4.47Å; D311-F313 HydrophobicContact CB-CE2 3.69Å; D311-F313 HydrophobicContact CB-CZ 4.08Å |
| 314 | D | 89.6 | Confident | 89 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 134.8 | 165.5 | -71.3 | -40.1 | 0 | 0 | 0 | 109.4 | I4 S6 K300 | I4-D314 PolarHBondContact N-O 3.49Å; I4-D314 PolarHBondContact O-N 2.86Å; S6-D314 VanDerWaalsContact CB-OD2 3.26Å; S6-D314 WeakPolarHBondContact CB-OD2 3.43Å; S6-D314 PolarHBondContact OG-OD2 3.42Å; K300-D314 VanDerWaalsContact CE-OD1 3.32Å; K300-D314 WeakPolarHBondContact CE-OD1 3.27Å; K300-D314 WeakPolarHBondContact CG-OD1 3.3Å |
| 315 | C | 87.8 | Confident | 88.8 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116.7 | -167.6 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | M1 L3 W294 S299 L301 | M1-C315 HydrophobicContact CE-CB 3.47Å; M1-C315 VanDerWaalsContact CE-CB 3.47Å; M1-C315 HydrophobicContact SD-CB 4.5Å; L3-C315 HydrophobicContact CD2-CB 4.3Å; L3-C315 WeakPolarHBondContact CD2-SG 3.25Å; W294-C315 HydrophobicContact CH2-CB 4.22Å; W294-C315 HydrophobicContact CZ3-CB 3.63Å; W294-C315 WeakPolarHBondContact CZ3-SG 3.42Å; S299-C315 WeakPolarHBondContact O-CB 3.39Å; S299-C315 PolarHBondContact O-N 2.98Å; L301-C315 WeakPolarHBondContact CB-SG 3.48Å; L301-C315 PolarHBondContact N-SG 2.83Å |
| 316 | C | 85.4 | Confident | 88.6 | Confident | 14 Ų | 14 | 49 Ų | 49 | 10% | 0.095 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 145 | 174.6 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | N2 K319 | N2-C316 WeakPolarHBondContact CB-O 3.45Å; N2-C316 PolarHBondContact N-O 2.7Å; N2-C316 PolarHBondContact O-N 3.41Å; C316-K319 HydrophobicContact CB-CG 4.31Å |
| 317 | V | 82.6 | Confident | 88.5 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -82.4 | -49 | 168.3 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | M1 Y330 | M1-V317 HydrophobicContact SD-CG2 3.67Å; V317-Y330 PolarHBondContact N-O 3.31Å |
| 318 | K | 83.9 | Confident | 88.5 | Confident | 119 Ų | 119 | 46.1 Ų | 46.1 | 52% | 0.517 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 141.9 | -176.3 | 178.4 | -179.4 | 176.9 | -178.4 | 0 | 109.7 | Y330 | K318-Y330 HydrophobicContact CB-CD2 4.33Å; K318-Y330 HydrophobicContact CB-CG 4.41Å; K318-Y330 HydrophobicContact CG-CD2 4.49Å; K318-Y330 PolarHBondContact N-O 3.34Å; K318-Y330 WeakPolarHBondContact O-CB 3.46Å; K318-Y330 PolarHBondContact O-N 2.92Å |
| 319 | K | 86.4 | Confident | 88.5 | Confident | 120 Ų | 120 | 47.1 Ų | 47.1 | 52% | 0.522 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.5 | 169 | -59.4 | -162.2 | 163.5 | -160.7 | 0 | 109.8 | C316 E327 L328 N329 | C316-K319 HydrophobicContact CB-CG 4.31Å; K319-E327 WeakPolarHBondContact CD-OE1 3.22Å; K319-E327 IonicContact NZ-OE1 2.67Å; K319-E327 PolarHBondContact NZ-OE1 3.22Å; K319-L328 CarbonylContact C-O 3.58Å; K319-L328 WeakPolarHBondContact CA-O 3.21Å; K319-N329 WeakPolarHBondContact CD-OD1 3.33Å; K319-N329 WeakPolarHBondContact CE-OD1 3.28Å; K319-N329 WeakPolarHBondContact CG-OD1 3.27Å |
| 320 | K | 88.8 | Confident | 88.3 | Confident | 76 Ų | 76 | 48.3 Ų | 48.3 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 122.6 | 176.5 | -179.7 | -179.3 | 177.8 | -171.2 | 0 | 109.4 | L328 Y330 D359 | K320-L328 HydrophobicContact CB-CB 4.3Å; K320-L328 HydrophobicContact CD-CD1 4.37Å; K320-L328 PolarHBondContact N-O 3.45Å; K320-L328 WeakPolarHBondContact O-CB 3.42Å; K320-L328 PolarHBondContact O-N 2.95Å; K320-Y330 HydrophobicContact CB-CE2 4.5Å; K320-D359 IonicContact NZ-OD1 3.42Å |
| 321 | L | 89.7 | Confident | 87.8 | Confident | 105 Ų | 105 | 48.3 Ų | 48.3 | 55% | 0.55 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 124.2 | 169.7 | -85.4 | 148.8 | 0 | 0 | 0 | 109.4 | L341 | L321-L341 HydrophobicContact CD2-CD1 3.59Å |
| 322 | Y | 85.2 | Confident | 87.2 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 14% | 0.137 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.2 | 175.3 | -174.3 | -92.9 | 0 | 0 | 0 | 109.9 | N324 I325 F326 V362 | Y322-N324 PolarHBondContact O-N 2.95Å; Y322-I325 PolarHBondContact O-N 3.26Å; Y322-I325 VanDerWaalsContact O-N 3.15Å; Y322-F326 HydrophobicContact CD1-CD2 4.37Å; Y322-F326 PolarHBondContact N-O 2.8Å; Y322-F326 PolarHBondContact O-N 3.44Å; Y322-F326 VanDerWaalsContact O-N 3.08Å; Y322-V362 HydrophobicContact CD1-CB 3.97Å; Y322-V362 HydrophobicContact CD1-CG2 3.81Å; Y322-V362 HydrophobicContact CE1-CB 3.62Å; Y322-V362 HydrophobicContact CE1-CG2 3.96Å; Y322-V362 PolarHBondContact OH-O 2.84Å |
| 323 | R | 85.5 | Confident | 86.6 | Confident | 161 Ų | 161 | 48.8 Ų | 48.8 | 61% | 0.608 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 23.6 | -178.2 | -60.7 | -178.1 | 176.7 | -176.3 | -4.3 | 114.7 | I325 | R323-I325 WeakPolarHBondContact O-CG1 2.93Å; R323-I325 PolarHBondContact O-N 2.99Å |
| 324 | N | 85.1 | Confident | 86 | Confident | 133 Ų | 133 | 48.9 Ų | 48.9 | 71% | 0.711 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 17.4 | -173.5 | -63.1 | -18.3 | 0 | 0 | 0 | 115.2 | Y322 | Y322-N324 PolarHBondContact O-N 2.95Š|
| 325 | I | 88.2 | Confident | 85.8 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -35.6 | 177 | -60.8 | 166.6 | 0 | 0 | 0 | 110.1 | Y322 R323 L341 K342 | Y322-I325 PolarHBondContact O-N 3.26Å; Y322-I325 VanDerWaalsContact O-N 3.15Å; R323-I325 WeakPolarHBondContact O-CG1 2.93Å; R323-I325 PolarHBondContact O-N 2.99Å; I325-L341 WeakPolarHBondContact O-CB 3.15Å; I325-L341 WeakPolarHBondContact O-CG 3.34Å; I325-L341 PolarHBondContact O-N 2.68Å; I325-K342 HydrophobicContact CG2-CD 4.48Å |
| 326 | F | 89.8 | Confident | 85.9 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.7 | -177.5 | -61.5 | -84 | 0 | 0 | 0 | 111.1 | Y322 V338 K339 N340 V362 N366 L382 | Y322-F326 HydrophobicContact CD1-CD2 4.37Å; Y322-F326 PolarHBondContact N-O 2.8Å; Y322-F326 PolarHBondContact O-N 3.44Å; Y322-F326 VanDerWaalsContact O-N 3.08Å; F326-V338 HydrophobicContact CB-CG1 4.37Å; F326-V338 HydrophobicContact CD1-CG1 3.99Å; F326-K339 CarbonylContact C-O 3.53Å; F326-K339 VanDerWaalsContact CA-O 3.27Å; F326-K339 WeakPolarHBondContact CA-O 3.48Å; F326-N340 HydrophobicContact CD1-CB 4.01Å; F326-N340 HydrophobicContact CE1-CB 3.77Å; F326-V362 HydrophobicContact CB-CG2 4.4Å; F326-V362 HydrophobicContact CD1-CG2 4.49Å; F326-V362 HydrophobicContact CD2-CB 4.17Å; F326-V362 HydrophobicContact CD2-CG1 4.18Å; F326-V362 HydrophobicContact CD2-CG2 3.81Å; F326-V362 HydrophobicContact CE2-CB 4.14Å; F326-V362 HydrophobicContact CE2-CG1 3.68Å; F326-V362 HydrophobicContact CE2-CG2 4.18Å; F326-V362 HydrophobicContact CG-CG2 3.98Å; F326-V362 HydrophobicContact CZ-CG1 3.91Å; F326-N366 HydrophobicContact CE2-CB 3.78Å; F326-N366 HydrophobicContact CZ-CB 3.82Å; F326-N366 WeakPolarHBondContact CZ-O 3.22Å; F326-L382 HydrophobicContact CE1-CD1 3.8Å; F326-L382 HydrophobicContact CZ-CD1 4.09Å |
| 327 | E | 90.3 | Very high | 86 | Confident | 35 Ų | 35 | 45.7 Ų | 45.7 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.1 | 169.2 | -176 | -171.6 | 162.8 | 0 | 0 | 108.4 | K319 N329 K339 L341 | K319-E327 WeakPolarHBondContact CD-OE1 3.22Å; K319-E327 IonicContact NZ-OE1 2.67Å; K319-E327 PolarHBondContact NZ-OE1 3.22Å; E327-N329 WeakPolarHBondContact CG-OD1 3.5Å; E327-N329 PolarHBondContact OE1-ND2 2.79Å; E327-N329 PolarHBondContact OE1-OD1 3.2Å; E327-K339 HydrophobicContact CB-CB 4.37Å; E327-K339 PolarHBondContact N-O 3.15Å; E327-K339 PolarHBondContact O-N 3.23Å; E327-L341 HydrophobicContact CB-CD2 4.09Å; E327-L341 HydrophobicContact CB-CG 4.43Å |
| 328 | L | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 106.6 | 176.5 | -53.7 | 176 | 0 | 0 | 0 | 109 | K319 K320 Y330 V336 V338 V360 | K319-L328 CarbonylContact C-O 3.58Å; K319-L328 WeakPolarHBondContact CA-O 3.21Å; K320-L328 HydrophobicContact CB-CB 4.3Å; K320-L328 HydrophobicContact CD-CD1 4.37Å; K320-L328 PolarHBondContact N-O 3.45Å; K320-L328 WeakPolarHBondContact O-CB 3.42Å; K320-L328 PolarHBondContact O-N 2.95Å; L328-Y330 HydrophobicContact CB-CE2 4.14Å; L328-V336 HydrophobicContact CB-CG1 4.23Å; L328-V338 HydrophobicContact CD2-CB 4.13Å; L328-V338 HydrophobicContact CD2-CG1 3.83Å; L328-V338 HydrophobicContact CD2-CG2 3.63Å; L328-V360 HydrophobicContact CD1-CB 4.11Å; L328-V360 HydrophobicContact CD1-CG1 4.24Å; L328-V360 HydrophobicContact CD2-CG1 3.93Å |
| 329 | N | 88.7 | Confident | 86.5 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 99.9 | -177.3 | -74.6 | -25.4 | 0 | 0 | 0 | 110.2 | K319 E327 V331 V336 I337 | K319-N329 WeakPolarHBondContact CD-OD1 3.33Å; K319-N329 WeakPolarHBondContact CE-OD1 3.28Å; K319-N329 WeakPolarHBondContact CG-OD1 3.27Å; E327-N329 WeakPolarHBondContact CG-OD1 3.5Å; E327-N329 PolarHBondContact OE1-ND2 2.79Å; E327-N329 PolarHBondContact OE1-OD1 3.2Å; N329-V331 PolarHBondContact O-N 3.46Å; N329-V336 CarbonylContact O-C 2.91Å; N329-V336 WeakPolarHBondContact O-CA 3.42Å; N329-I337 HydrophobicContact CB-CB 4.19Å; N329-I337 PolarHBondContact N-O 3.23Å; N329-I337 PolarHBondContact O-N 3.42Å |
| 330 | Y | 87.1 | Confident | 86.6 | Confident | 25 Ų | 25 | 37 Ų | 37 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 115.5 | 176.8 | -67.2 | -106.6 | 0 | 0 | 0 | 108.9 | V317 K318 K320 L328 V336 I357 | V317-Y330 PolarHBondContact N-O 3.31Å; K318-Y330 HydrophobicContact CB-CD2 4.33Å; K318-Y330 HydrophobicContact CB-CG 4.41Å; K318-Y330 HydrophobicContact CG-CD2 4.49Å; K318-Y330 PolarHBondContact N-O 3.34Å; K318-Y330 WeakPolarHBondContact O-CB 3.46Å; K318-Y330 PolarHBondContact O-N 2.92Å; K320-Y330 HydrophobicContact CB-CE2 4.5Å; L328-Y330 HydrophobicContact CB-CE2 4.14Å; Y330-V336 HydrophobicContact CD1-CG2 3.31Å; Y330-V336 HydrophobicContact CD2-CG1 4.35Å; Y330-V336 HydrophobicContact CD2-CG2 4.39Å; Y330-V336 HydrophobicContact CE1-CG2 3.4Å; Y330-V336 VanDerWaalsContact CE1-CG2 3.4Å; Y330-V336 HydrophobicContact CE2-CG1 4.33Å; Y330-V336 HydrophobicContact CE2-CG2 4.45Å; Y330-V336 HydrophobicContact CG-CG1 4.49Å; Y330-V336 HydrophobicContact CG-CG2 3.83Å; Y330-I357 HydrophobicContact CE1-CG2 4.37Å |
| 331 | V | 83.1 | Confident | 86.5 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -25.9 | -179.1 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | M1 G298 N329 Q335 I337 | M1-V331 HydrophobicContact CE-CG1 4.04Å; M1-V331 VanDerWaalsContact CE-O 3.26Å; M1-V331 WeakPolarHBondContact CE-O 3.29Å; G298-V331 WeakPolarHBondContact O-CG1 3.36Å; N329-V331 PolarHBondContact O-N 3.46Å; V331-Q335 PolarHBondContact N-O 2.94Å; V331-I337 HydrophobicContact CG2-CD1 3.64Å; V331-I337 HydrophobicContact CG2-CG1 3.98Å |
| 332 | G | 78.6 | Confident | 86.2 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 175.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S334 Q335 | G332-S334 PolarHBondContact O-N 3.41Å; G332-Q335 PolarHBondContact N-O 3.13Å; G332-Q335 PolarHBondContact O-N 2.91Å; G332-Q335 VanDerWaalsContact O-O 3.06Å |
| 333 | P | 79.8 | Confident | 86 | Confident | 25 Ų | 25 | 41.6 Ų | 41.6 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.7 | 176.1 | -23.4 | 33.6 | 0 | 0 | 0 | 112.9 | H253 P270 E356 I357 | H253-P333 HydrophobicContact CB-CG 4.4Å; P270-P333 HydrophobicContact CG-CB 4.15Å; P270-P333 HydrophobicContact CG-CG 4.42Å; P333-E356 HydrophobicContact CB-CB 4.49Å; P333-E356 HydrophobicContact CB-CG 4.1Å; P333-E356 CarbonylContact O-C 3.59Å; P333-E356 WeakPolarHBondContact O-CA 3.4Å; P333-I357 PolarHBondContact O-N 3.21Å |
| 334 | S | 79.5 | Confident | 85.7 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 8.1 | -178.7 | 67.3 | 0 | 0 | 0 | 0 | 114.3 | H253 G332 Q350 S351 Y355 I357 | H253-S334 PolarHBondContact CD2-OG 3.29Å; H253-S334 WeakPolarHBondContact NE2-CB 3.41Å; H253-S334 PolarHBondContact NE2-OG 2.82Å; G332-S334 PolarHBondContact O-N 3.41Å; S334-Q350 CarbonylContact O-C 3.54Å; S334-Q350 WeakPolarHBondContact O-CA 3.2Å; S334-S351 PolarHBondContact O-N 2.93Å; S334-Y355 WeakPolarHBondContact CA-O 3.5Å; S334-Y355 WeakPolarHBondContact CB-O 3.32Å; S334-I357 VanDerWaalsContact C-CD1 3.42Å; S334-I357 WeakPolarHBondContact O-CD1 3.2Å |
| 335 | Q | 85.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 125.8 | -176.3 | -170.1 | 176.4 | 24 | 0 | 0 | 113.1 | D297 V331 G332 V348 L349 Q350 | D297-Q335 PolarHBondContact O-NE2 3.46Å; V331-Q335 PolarHBondContact N-O 2.94Å; G332-Q335 PolarHBondContact N-O 3.13Å; G332-Q335 PolarHBondContact O-N 2.91Å; G332-Q335 VanDerWaalsContact O-O 3.06Å; Q335-V348 HydrophobicContact CG-CG1 4.18Å; Q335-V348 VanDerWaalsContact NE2-CG1 3.28Å; Q335-L349 CarbonylContact C-O 3.45Å; Q335-L349 WeakPolarHBondContact CA-O 3.33Å; Q335-Q350 HydrophobicContact CB-CG 4.47Å; Q335-Q350 HydrophobicContact CG-CB 4.21Å; Q335-Q350 HydrophobicContact CG-CG 4.48Å |
| 336 | V | 88.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.5 | 177.8 | -177 | 0 | 0 | 0 | 0 | 109.8 | L328 N329 Y330 L349 I357 V360 | L328-V336 HydrophobicContact CB-CG1 4.23Å; N329-V336 CarbonylContact O-C 2.91Å; N329-V336 WeakPolarHBondContact O-CA 3.42Å; Y330-V336 HydrophobicContact CD1-CG2 3.31Å; Y330-V336 HydrophobicContact CD2-CG1 4.35Å; Y330-V336 HydrophobicContact CD2-CG2 4.39Å; Y330-V336 HydrophobicContact CE1-CG2 3.4Å; Y330-V336 VanDerWaalsContact CE1-CG2 3.4Å; Y330-V336 HydrophobicContact CE2-CG1 4.33Å; Y330-V336 HydrophobicContact CE2-CG2 4.45Å; Y330-V336 HydrophobicContact CG-CG1 4.49Å; Y330-V336 HydrophobicContact CG-CG2 3.83Å; V336-L349 PolarHBondContact N-O 3.32Å; V336-L349 WeakPolarHBondContact O-CA 3.41Å; V336-L349 WeakPolarHBondContact O-CB 3.3Å; V336-L349 PolarHBondContact O-N 2.96Å; V336-I357 HydrophobicContact CB-CD1 4.42Å; V336-I357 HydrophobicContact CG2-CB 4.42Å; V336-I357 HydrophobicContact CG2-CD1 3.77Å; V336-I357 HydrophobicContact CG2-CG2 4.12Å; V336-V360 HydrophobicContact CG2-CG2 4.46Å |
| 337 | I | 88.3 | Confident | 84.9 | Confident | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.8 | 171.4 | -57 | 172.9 | 0 | 0 | 0 | 108.1 | D297 N329 V331 V348 | D297-I337 HydrophobicContact CB-CD1 3.79Å; D297-I337 HydrophobicContact CB-CG1 4.45Å; N329-I337 HydrophobicContact CB-CB 4.19Å; N329-I337 PolarHBondContact N-O 3.23Å; N329-I337 PolarHBondContact O-N 3.42Å; V331-I337 HydrophobicContact CG2-CD1 3.64Å; V331-I337 HydrophobicContact CG2-CG1 3.98Å; I337-V348 HydrophobicContact CG1-CG2 4.39Å |
| 338 | V | 89.5 | Confident | 84.6 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 113.9 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | F326 L328 T346 T347 V360 L369 | F326-V338 HydrophobicContact CB-CG1 4.37Å; F326-V338 HydrophobicContact CD1-CG1 3.99Å; L328-V338 HydrophobicContact CD2-CB 4.13Å; L328-V338 HydrophobicContact CD2-CG1 3.83Å; L328-V338 HydrophobicContact CD2-CG2 3.63Å; V338-T346 CarbonylContact O-C 3.56Å; V338-T346 WeakPolarHBondContact O-CA 3.43Å; V338-T347 PolarHBondContact N-O 3.34Å; V338-T347 PolarHBondContact O-N 2.81Å; V338-V360 HydrophobicContact CG2-CG1 4.46Å; V338-L369 HydrophobicContact CB-CD1 4.44Å; V338-L369 HydrophobicContact CG1-CD2 4.22Å; V338-L369 HydrophobicContact CG2-CD1 4.08Å; V338-L369 HydrophobicContact CG2-CD2 4.05Å |
| 339 | K | 87.6 | Confident | 84.3 | Confident | 83 Ų | 83 | 37.5 Ų | 37.5 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.2 | 176.8 | -177 | 175 | -177.4 | -177.6 | 0 | 110.4 | F326 E327 L341 D345 T346 | F326-K339 CarbonylContact C-O 3.53Å; F326-K339 VanDerWaalsContact CA-O 3.27Å; F326-K339 WeakPolarHBondContact CA-O 3.48Å; E327-K339 HydrophobicContact CB-CB 4.37Å; E327-K339 PolarHBondContact N-O 3.15Å; E327-K339 PolarHBondContact O-N 3.23Å; K339-L341 PolarHBondContact O-N 2.94Å; K339-D345 CarbonylContact C-O 3.42Å; K339-D345 WeakPolarHBondContact CA-O 3.42Å; K339-T346 HydrophobicContact CB-CG2 4.03Å; K339-T346 HydrophobicContact CD-CG2 4.17Å; K339-T346 HydrophobicContact CG-CG2 3.81Å |
| 340 | N | 88 | Confident | 84 | Confident | 34 Ų | 34 | 39.7 Ų | 39.7 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 117.7 | 168.5 | -172.2 | -22.7 | 0 | 0 | 0 | 109 | F326 K342 S343 G344 D345 | F326-N340 HydrophobicContact CD1-CB 4.01Å; F326-N340 HydrophobicContact CE1-CB 3.77Å; N340-K342 VanDerWaalsContact C-N 3.26Å; N340-K342 PolarHBondContact O-N 3.49Å; N340-K342 PolarHBondContact OD1-N 3.35Å; N340-S343 WeakPolarHBondContact CB-OG 3.5Å; N340-S343 VanDerWaalsContact CG-OG 3.25Å; N340-S343 PolarHBondContact ND2-OG 3.4Å; N340-S343 PolarHBondContact OD1-N 2.9Å; N340-G344 CarbonylContact O-C 3.51Å; N340-G344 WeakPolarHBondContact O-CA 3.32Å; N340-G344 PolarHBondContact O-N 2.92Å; N340-D345 PolarHBondContact N-O 3.47Å |
| 341 | L | 86.6 | Confident | 83.7 | Confident | 78 Ų | 78 | 38.7 Ų | 38.7 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21 | -177.7 | -63.8 | 172.5 | 0 | 0 | 0 | 112.8 | L321 I325 E327 K339 | L321-L341 HydrophobicContact CD2-CD1 3.59Å; I325-L341 WeakPolarHBondContact O-CB 3.15Å; I325-L341 WeakPolarHBondContact O-CG 3.34Å; I325-L341 PolarHBondContact O-N 2.68Å; E327-L341 HydrophobicContact CB-CD2 4.09Å; E327-L341 HydrophobicContact CB-CG 4.43Å; K339-L341 PolarHBondContact O-N 2.94Å |
| 342 | K | 83.4 | Confident | 83.3 | Confident | 170 Ų | 170 | 45.2 Ų | 45.2 | 74% | 0.739 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -49.6 | 179.6 | -66.5 | -172.9 | 176.2 | -173.7 | 0 | 112.5 | I325 N340 | I325-K342 HydrophobicContact CG2-CD 4.48Å; N340-K342 VanDerWaalsContact C-N 3.26Å; N340-K342 PolarHBondContact O-N 3.49Å; N340-K342 PolarHBondContact OD1-N 3.35Å |
| 343 | S | 81.7 | Confident | 82.9 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -23.6 | -179.6 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | N340 D345 | N340-S343 WeakPolarHBondContact CB-OG 3.5Å; N340-S343 VanDerWaalsContact CG-OG 3.25Å; N340-S343 PolarHBondContact ND2-OG 3.4Å; N340-S343 PolarHBondContact OD1-N 2.9Å; S343-D345 VanDerWaalsContact C-N 3.26Å; S343-D345 WeakPolarHBondContact CB-OD2 3.35Å; S343-D345 PolarHBondContact OG-N 3.4Å; S343-D345 PolarHBondContact OG-OD2 2.95Å |
| 344 | G | 78.7 | Confident | 82.4 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | trans | 85.7 | -6.9 | -172 | 0 | 0 | 0 | 0 | 0 | 113.8 | N340 | N340-G344 CarbonylContact O-C 3.51Å; N340-G344 WeakPolarHBondContact O-CA 3.32Å; N340-G344 PolarHBondContact O-N 2.92Å | ||
| 345 | D | 79 | Confident | 82.2 | Confident | 102 Ų | 102 | 54.3 Ų | 54.3 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | trans | -63.7 | 138.3 | -176.1 | -58 | -38.8 | 0 | 0 | 0 | 111.7 | K339 N340 S343 | K339-D345 CarbonylContact C-O 3.42Å; K339-D345 WeakPolarHBondContact CA-O 3.42Å; N340-D345 PolarHBondContact N-O 3.47Å; S343-D345 VanDerWaalsContact C-N 3.26Å; S343-D345 WeakPolarHBondContact CB-OD2 3.35Å; S343-D345 PolarHBondContact OG-N 3.4Å; S343-D345 PolarHBondContact OG-OD2 2.95Å | ||
| 346 | T | 81.8 | Confident | 82 | Confident | 78 Ų | 78 | 57 Ų | 57 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.2 | 179.5 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | V338 K339 | V338-T346 CarbonylContact O-C 3.56Å; V338-T346 WeakPolarHBondContact O-CA 3.43Å; K339-T346 HydrophobicContact CB-CG2 4.03Å; K339-T346 HydrophobicContact CD-CG2 4.17Å; K339-T346 HydrophobicContact CG-CG2 3.81Å |
| 347 | T | 85 | Confident | 81.9 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 4% | 0.043 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.9 | 172.7 | 58 | 0 | 0 | 0 | 0 | 110 | V338 L382 N385 | V338-T347 PolarHBondContact N-O 3.34Å; V338-T347 PolarHBondContact O-N 2.81Å; T347-L382 HydrophobicContact CG2-CD2 3.59Å; T347-L382 WeakPolarHBondContact OG1-CD2 3.37Å; T347-N385 VanDerWaalsContact CG2-OD1 3.28Å; T347-N385 WeakPolarHBondContact CG2-OD1 3.48Å |
| 348 | V | 84.7 | Confident | 81.7 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 110.4 | -179.3 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | D297 Q335 I337 L387 | D297-V348 HydrophobicContact CB-CG2 3.8Å; Q335-V348 HydrophobicContact CG-CG1 4.18Å; Q335-V348 VanDerWaalsContact NE2-CG1 3.28Å; I337-V348 HydrophobicContact CG1-CG2 4.39Å; V348-L387 WeakPolarHBondContact O-CD1 3.41Å |
| 349 | L | 85.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 110 | 177.3 | -168.8 | 144.3 | 0 | 0 | 0 | 109.1 | Q335 V336 I357 L369 T371 I378 | Q335-L349 CarbonylContact C-O 3.45Å; Q335-L349 WeakPolarHBondContact CA-O 3.33Å; V336-L349 PolarHBondContact N-O 3.32Å; V336-L349 WeakPolarHBondContact O-CA 3.41Å; V336-L349 WeakPolarHBondContact O-CB 3.3Å; V336-L349 PolarHBondContact O-N 2.96Å; L349-I357 HydrophobicContact CD2-CD1 3.43Å; L349-I357 VanDerWaalsContact CD2-CD1 3.43Å; L349-I357 HydrophobicContact CD2-CG1 4.19Å; L349-L369 HydrophobicContact CD1-CD1 4.31Å; L349-T371 HydrophobicContact CD1-CG2 4.3Å; L349-T371 WeakPolarHBondContact CD1-OG1 3.3Å; L349-T371 HydrophobicContact CD2-CG2 3.63Å; L349-I378 HydrophobicContact CD1-CG2 3.92Å; L349-I378 HydrophobicContact CD2-CD1 3.79Å; L349-I378 HydrophobicContact CD2-CG2 4.45Å; L349-I378 HydrophobicContact CG-CD1 4.45Å; L349-I378 HydrophobicContact CG-CG2 4.06Å |
| 350 | Q | 81.6 | Confident | 81.7 | Confident | 69 Ų | 69 | 58.7 Ų | 58.7 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.9 | 178.8 | -177.7 | 176 | 1.2 | 0 | 0 | 109.8 | P250 S334 Q335 K352 | P250-Q350 PolarHBondContact O-NE2 2.98Å; S334-Q350 CarbonylContact O-C 3.54Å; S334-Q350 WeakPolarHBondContact O-CA 3.2Å; Q335-Q350 HydrophobicContact CB-CG 4.47Å; Q335-Q350 HydrophobicContact CG-CB 4.21Å; Q335-Q350 HydrophobicContact CG-CG 4.48Å; Q350-K352 PolarHBondContact O-N 3.17Å |
| 351 | S | 81.2 | Confident | 81.8 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | trans | -71 | 120.1 | 170.2 | 175.7 | 0 | 0 | 0 | 0 | 109.5 | S334 F353 G354 Y355 E389 | S334-S351 PolarHBondContact O-N 2.93Å; S351-F353 PolarHBondContact O-N 3.02Å; S351-F353 PolarHBondContact OG-N 3.32Å; S351-G354 PolarHBondContact O-N 3.48Å; S351-G354 VanDerWaalsContact O-N 3.15Å; S351-G354 PolarHBondContact OG-N 3.26Å; S351-Y355 PolarHBondContact OG-N 3.11Å; S351-Y355 VanDerWaalsContact OG-N 3.14Å; S351-E389 WeakPolarHBondContact CA-OE2 3.36Å; S351-E389 WeakPolarHBondContact CB-OE1 3.34Å; S351-E389 PolarHBondContact OG-OE1 2.97Å | ||
| 352 | K | 74.6 | Confident | 81.9 | Confident | 138 Ų | 138 | 57.6 Ų | 57.6 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -28.9 | 173.6 | -66.6 | 178.2 | 178.2 | 169 | 0 | 111.8 | Q350 G354 E389 N425 | Q350-K352 PolarHBondContact O-N 3.17Å; K352-G354 VanDerWaalsContact C-N 3.34Å; K352-E389 WeakPolarHBondContact CB-OE2 3.24Å; K352-E389 PolarHBondContact N-OE2 3.23Å; K352-N425 PolarHBondContact NZ-ND2 2.86Å; K352-N425 PolarHBondContact NZ-OD1 3.47Å |
| 353 | F | 69.6 | Low | 82 | Confident | 107 Ų | 107 | 52.4 Ų | 52.4 | 47% | 0.469 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7 | 175.4 | -62.2 | -77 | 0 | 0 | 0 | 113.2 | S351 Y355 T376 E389 | S351-F353 PolarHBondContact O-N 3.02Å; S351-F353 PolarHBondContact OG-N 3.32Å; F353-Y355 VanDerWaalsContact C-N 3.31Å; F353-Y355 HydrophobicContact CB-CD2 3.55Å; F353-Y355 HydrophobicContact CB-CE2 3.45Å; F353-Y355 VanDerWaalsContact CB-CE2 3.45Å; F353-Y355 HydrophobicContact CB-CG 4.25Å; F353-Y355 HydrophobicContact CD2-CE2 4.42Å; F353-Y355 HydrophobicContact CG-CD2 4.36Å; F353-Y355 AromaticContact CG-CE2 3.97Å; F353-Y355 HydrophobicContact CG-CE2 3.97Å; F353-T376 HydrophobicContact CD2-CG2 3.82Å; F353-T376 HydrophobicContact CE2-CG2 4.21Å; F353-E389 HydrophobicContact CD2-CG 4.03Å; F353-E389 HydrophobicContact CE2-CG 4.15Å |
| 354 | G | 69 | Low | 81.9 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | trans | 72.9 | 19.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S351 K352 | S351-G354 PolarHBondContact O-N 3.48Å; S351-G354 VanDerWaalsContact O-N 3.15Å; S351-G354 PolarHBondContact OG-N 3.26Å; K352-G354 VanDerWaalsContact C-N 3.34Å | ||
| 355 | Y | 76.5 | Confident | 82.1 | Confident | 78 Ų | 78 | 59 Ų | 59 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | trans | -73 | 150.9 | 175.7 | -63.9 | -47.4 | 0 | 0 | 0 | 111.7 | S334 S351 F353 H375 T376 | S334-Y355 WeakPolarHBondContact CA-O 3.5Å; S334-Y355 WeakPolarHBondContact CB-O 3.32Å; S351-Y355 PolarHBondContact OG-N 3.11Å; S351-Y355 VanDerWaalsContact OG-N 3.14Å; F353-Y355 VanDerWaalsContact C-N 3.31Å; F353-Y355 HydrophobicContact CB-CD2 3.55Å; F353-Y355 HydrophobicContact CB-CE2 3.45Å; F353-Y355 VanDerWaalsContact CB-CE2 3.45Å; F353-Y355 HydrophobicContact CB-CG 4.25Å; F353-Y355 HydrophobicContact CD2-CE2 4.42Å; F353-Y355 HydrophobicContact CG-CD2 4.36Å; F353-Y355 AromaticContact CG-CE2 3.97Å; F353-Y355 HydrophobicContact CG-CE2 3.97Å; Y355-H375 HydrophobicContact CD2-CB 4.42Å; Y355-H375 HydrophobicContact CE2-CB 4.05Å; Y355-T376 HydrophobicContact CD2-CG2 3.62Å; Y355-T376 HydrophobicContact CE2-CG2 3.63Å | ||
| 356 | E | 80.3 | Confident | 82.3 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | trans | -68.8 | 133 | 175.9 | -173.1 | 175.8 | 171.1 | 0 | 0 | 110.3 | R271 P333 D358 T373 | R271-E356 IonicContact NH2-OE1 3.12Å; P333-E356 HydrophobicContact CB-CB 4.49Å; P333-E356 HydrophobicContact CB-CG 4.1Å; P333-E356 CarbonylContact O-C 3.59Å; P333-E356 WeakPolarHBondContact O-CA 3.4Å; E356-D358 PolarHBondContact O-N 3.31Å; E356-T373 VanDerWaalsContact O-CA 3.24Å; E356-T373 WeakPolarHBondContact O-CA 3.49Å; E356-T373 VanDerWaalsContact O-CB 3.24Å; E356-T373 WeakPolarHBondContact O-CB 3.33Å | ||
| 357 | I | 87.1 | Confident | 82.5 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 110.9 | 177.2 | -67.9 | 164.1 | 0 | 0 | 0 | 108.9 | Y330 P333 S334 V336 L349 V360 T371 T373 | Y330-I357 HydrophobicContact CE1-CG2 4.37Å; P333-I357 PolarHBondContact O-N 3.21Å; S334-I357 VanDerWaalsContact C-CD1 3.42Å; S334-I357 WeakPolarHBondContact O-CD1 3.2Å; V336-I357 HydrophobicContact CB-CD1 4.42Å; V336-I357 HydrophobicContact CG2-CB 4.42Å; V336-I357 HydrophobicContact CG2-CD1 3.77Å; V336-I357 HydrophobicContact CG2-CG2 4.12Å; L349-I357 HydrophobicContact CD2-CD1 3.43Å; L349-I357 VanDerWaalsContact CD2-CD1 3.43Å; L349-I357 HydrophobicContact CD2-CG1 4.19Å; I357-V360 HydrophobicContact CG2-CG2 3.6Å; I357-T371 HydrophobicContact CB-CG2 4.38Å; I357-T371 HydrophobicContact CG1-CG2 4.19Å; I357-T371 HydrophobicContact CG2-CG2 3.44Å; I357-T371 VanDerWaalsContact CG2-CG2 3.44Å; I357-T373 HydrophobicContact CG1-CG2 4.39Å |
| 358 | D | 84.5 | Confident | 82.8 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -45.7 | -176.1 | -68 | -42.6 | 0 | 0 | 0 | 112.3 | E356 H372 T373 S374 K395 | E356-D358 PolarHBondContact O-N 3.31Å; D358-H372 PolarHBondContact N-O 3Å; D358-T373 VanDerWaalsContact OD2-C 3.25Å; D358-S374 PolarHBondContact OD2-N 2.84Å; D358-K395 IonicContact OD2-NZ 2.7Å; D358-K395 PolarHBondContact OD2-NZ 3.44Å |
| 359 | D | 86.5 | Confident | 83 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 146.9 | -178.4 | -169.4 | 30 | 0 | 0 | 0 | 112.1 | K320 K361 T371 H372 | K320-D359 IonicContact NZ-OD1 3.42Å; D359-K361 WeakPolarHBondContact OD2-CE 3.46Å; D359-K361 IonicContact OD2-NZ 3.53Å; D359-T371 CarbonylContact O-C 3.54Å; D359-T371 VanDerWaalsContact O-CA 3.26Å; D359-T371 WeakPolarHBondContact O-CA 3.49Å; D359-T371 WeakPolarHBondContact O-CG2 3.46Å; D359-H372 PolarHBondContact O-N 3.41Å |
| 360 | V | 90.7 | Very high | 83.3 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.1 | 179.8 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | L328 V336 V338 I357 L369 T371 | L328-V360 HydrophobicContact CD1-CB 4.11Å; L328-V360 HydrophobicContact CD1-CG1 4.24Å; L328-V360 HydrophobicContact CD2-CG1 3.93Å; V336-V360 HydrophobicContact CG2-CG2 4.46Å; V338-V360 HydrophobicContact CG2-CG1 4.46Å; I357-V360 HydrophobicContact CG2-CG2 3.6Å; V360-L369 HydrophobicContact CG1-CD2 4Å; V360-T371 HydrophobicContact CG2-CG2 3.83Å |
| 361 | K | 89 | Confident | 83.8 | Confident | 88 Ų | 88 | 49.8 Ų | 49.8 | 38% | 0.383 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 138.1 | 178.8 | -62.1 | -177.6 | -172.5 | 175.9 | 0 | 110.7 | D359 M363 V370 | D359-K361 WeakPolarHBondContact OD2-CE 3.46Å; D359-K361 IonicContact OD2-NZ 3.53Å; K361-M363 HydrophobicContact CB-CG 4.36Å; K361-V370 PolarHBondContact N-O 3.41Å; K361-V370 PolarHBondContact O-N 2.86Å |
| 362 | V | 89.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.9 | 167.6 | -165.9 | 0 | 0 | 0 | 0 | 109.1 | Y322 F326 Y368 L369 L382 | Y322-V362 HydrophobicContact CD1-CB 3.97Å; Y322-V362 HydrophobicContact CD1-CG2 3.81Å; Y322-V362 HydrophobicContact CE1-CB 3.62Å; Y322-V362 HydrophobicContact CE1-CG2 3.96Å; Y322-V362 PolarHBondContact OH-O 2.84Å; F326-V362 HydrophobicContact CB-CG2 4.4Å; F326-V362 HydrophobicContact CD1-CG2 4.49Å; F326-V362 HydrophobicContact CD2-CB 4.17Å; F326-V362 HydrophobicContact CD2-CG1 4.18Å; F326-V362 HydrophobicContact CD2-CG2 3.81Å; F326-V362 HydrophobicContact CE2-CB 4.14Å; F326-V362 HydrophobicContact CE2-CG1 3.68Å; F326-V362 HydrophobicContact CE2-CG2 4.18Å; F326-V362 HydrophobicContact CG-CG2 3.98Å; F326-V362 HydrophobicContact CZ-CG1 3.91Å; V362-Y368 CarbonylContact C-O 3.56Å; V362-Y368 WeakPolarHBondContact CA-O 3.28Å; V362-L369 HydrophobicContact CG2-CD2 3.82Å; V362-L382 HydrophobicContact CG1-CD1 4.05Å |
| 363 | M | 85.7 | Confident | 84.7 | Confident | 62 Ų | 62 | 44.7 Ų | 44.7 | 31% | 0.305 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 177.4 | -174.1 | -60.6 | -170 | 75.1 | 0 | 0 | 111.8 | K361 N366 R367 Y368 V370 F401 F403 | K361-M363 HydrophobicContact CB-CG 4.36Å; M363-N366 PolarHBondContact O-N 3.38Å; M363-R367 PolarHBondContact O-N 2.7Å; M363-Y368 PolarHBondContact N-O 3.5Å; M363-Y368 PolarHBondContact O-N 3.39Å; M363-Y368 VanDerWaalsContact O-N 3.09Å; M363-V370 HydrophobicContact CG-CG2 4.32Å; M363-V370 HydrophobicContact SD-CG2 3.93Å; M363-F401 HydrophobicContact SD-CD2 4.23Å; M363-F403 HydrophobicContact CB-CD2 4.04Å; M363-F403 HydrophobicContact CB-CE2 3.37Å; M363-F403 HydrophobicContact CB-CZ 3.99Å; M363-F403 HydrophobicContact CE-CE2 4.28Å; M363-F403 HydrophobicContact CG-CE2 4.25Å; M363-F403 HydrophobicContact SD-CE2 4.03Å; M363-F403 HydrophobicContact SD-CZ 4.46Å |
| 364 | G | 79.2 | Confident | 85.1 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 68.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | N366 R367 | G364-N366 VanDerWaalsContact C-N 3.26Å; G364-N366 PolarHBondContact O-N 2.99Å; G364-R367 PolarHBondContact O-N 2.9Å |
| 365 | K | 82.1 | Confident | 85.7 | Confident | 214 Ų | 214 | 45 Ų | 45 | 93% | 0.93 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.8 | 180 | -60.5 | 179.2 | 177.6 | 175.6 | 0 | 114.6 | ||
| 366 | N | 83.6 | Confident | 86.2 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 16.8 | 179.2 | -55.2 | -34.2 | 0 | 0 | 0 | 115.5 | F326 M363 G364 | F326-N366 HydrophobicContact CE2-CB 3.78Å; F326-N366 HydrophobicContact CZ-CB 3.82Å; F326-N366 WeakPolarHBondContact CZ-O 3.22Å; M363-N366 PolarHBondContact O-N 3.38Å; G364-N366 VanDerWaalsContact C-N 3.26Å; G364-N366 PolarHBondContact O-N 2.99Å |
| 367 | R | 87.1 | Confident | 86.7 | Confident | 47 Ų | 47 | 38.6 Ų | 38.6 | 18% | 0.177 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -33.5 | -179.5 | 179.6 | 173.2 | 173.8 | -173.4 | -0.3 | 114 | M363 G364 D381 L382 N406 | M363-R367 PolarHBondContact O-N 2.7Å; G364-R367 PolarHBondContact O-N 2.9Å; R367-D381 WeakPolarHBondContact CG-OD1 3.27Å; R367-D381 IonicContact CZ-OD1 3.44Å; R367-D381 IonicContact CZ-OD2 2.64Å; R367-D381 VanDerWaalsContact CZ-OD2 3.28Å; R367-D381 IonicContact NE-OD1 3.34Å; R367-D381 PolarHBondContact NE-OD1 2.96Å; R367-D381 IonicContact NE-OD2 3.88Å; R367-D381 PolarHBondContact NE-OD2 2.9Å; R367-D381 IonicContact NH2-OD2 3.83Å; R367-D381 PolarHBondContact NH2-OD2 3.11Å; R367-L382 WeakPolarHBondContact O-CB 3.45Å; R367-L382 VanDerWaalsContact O-CG 3.3Å; R367-L382 WeakPolarHBondContact O-CG 3.31Å; R367-L382 PolarHBondContact O-N 2.92Å; R367-N406 PolarHBondContact NH1-OD1 3.43Å |
| 368 | Y | 90.3 | Very high | 86.9 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.4 | -169.1 | -56.3 | -76.6 | 0 | 0 | 0 | 112.7 | V362 M363 G380 D381 F403 Y405 Y422 | V362-Y368 CarbonylContact C-O 3.56Å; V362-Y368 WeakPolarHBondContact CA-O 3.28Å; M363-Y368 PolarHBondContact N-O 3.5Å; M363-Y368 PolarHBondContact O-N 3.39Å; M363-Y368 VanDerWaalsContact O-N 3.09Å; Y368-G380 CarbonylContact C-O 3.55Å; Y368-G380 VanDerWaalsContact CA-O 3.24Å; Y368-G380 WeakPolarHBondContact CA-O 3.24Å; Y368-D381 HydrophobicContact CD1-CB 4.13Å; Y368-D381 HydrophobicContact CE1-CB 4.08Å; Y368-F403 HydrophobicContact CD1-CD1 4.16Å; Y368-F403 HydrophobicContact CD2-CB 3.58Å; Y368-F403 AromaticContact CD2-CD1 3.55Å; Y368-F403 HydrophobicContact CD2-CD1 3.55Å; Y368-F403 HydrophobicContact CD2-CE1 4.38Å; Y368-F403 AromaticContact CD2-CG 3.65Å; Y368-F403 HydrophobicContact CD2-CG 3.65Å; Y368-F403 HydrophobicContact CE2-CB 3.66Å; Y368-F403 HydrophobicContact CE2-CD1 4.21Å; Y368-F403 HydrophobicContact CE2-CG 4.22Å; Y368-F403 HydrophobicContact CG-CB 4.4Å; Y368-F403 AromaticContact CG-CD1 3.5Å; Y368-F403 HydrophobicContact CG-CD1 3.5Å; Y368-F403 VanDerWaalsContact CG-CD1 3.5Å; Y368-F403 AromaticContact CG-CE1 3.96Å; Y368-F403 HydrophobicContact CG-CE1 3.96Å; Y368-F403 HydrophobicContact CG-CG 4.07Å; Y368-Y405 PolarHBondContact OH-O 2.84Å; Y368-Y422 HydrophobicContact CD1-CE1 4.08Å; Y368-Y422 AromaticContact CD1-CE2 3.93Å; Y368-Y422 HydrophobicContact CD1-CE2 3.93Å; Y368-Y422 AromaticContact CD1-CZ 3.43Å; Y368-Y422 VanDerWaalsContact CD1-CZ 3.43Å; Y368-Y422 WeakPolarHBondContact CD1-OH 3.22Å; Y368-Y422 HydrophobicContact CE1-CD2 4.49Å; Y368-Y422 AromaticContact CE1-CE2 3.55Å; Y368-Y422 HydrophobicContact CE1-CE2 3.55Å; Y368-Y422 AromaticContact CE1-CZ 3.58Å; Y368-Y422 WeakPolarHBondContact CE1-OH 3.44Å |
| 369 | L | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 136.2 | 174.1 | -79.7 | 170.4 | 0 | 0 | 0 | 110.7 | V338 L349 V360 V362 L379 G380 L382 | V338-L369 HydrophobicContact CB-CD1 4.44Å; V338-L369 HydrophobicContact CG1-CD2 4.22Å; V338-L369 HydrophobicContact CG2-CD1 4.08Å; V338-L369 HydrophobicContact CG2-CD2 4.05Å; L349-L369 HydrophobicContact CD1-CD1 4.31Å; V360-L369 HydrophobicContact CG1-CD2 4Å; V362-L369 HydrophobicContact CG2-CD2 3.82Å; L369-L379 CarbonylContact O-C 3.57Å; L369-L379 WeakPolarHBondContact O-CA 3.34Å; L369-G380 PolarHBondContact N-O 3.47Å; L369-G380 PolarHBondContact O-N 3.4Å; L369-L382 HydrophobicContact CD1-CD2 3.35Å; L369-L382 HydrophobicContact CD1-CG 4.07Å; L369-L382 HydrophobicContact CG-CD1 4.25Å; L369-L382 HydrophobicContact CG-CD2 3.77Å; L369-L382 HydrophobicContact CG-CG 3.97Å |
| 370 | V | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 114.9 | 171.9 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | K361 M363 L377 L379 F401 F403 | K361-V370 PolarHBondContact N-O 3.41Å; K361-V370 PolarHBondContact O-N 2.86Å; M363-V370 HydrophobicContact CG-CG2 4.32Å; M363-V370 HydrophobicContact SD-CG2 3.93Å; V370-L377 HydrophobicContact CG1-CD1 3.84Å; V370-L379 HydrophobicContact CB-CD2 4.19Å; V370-L379 HydrophobicContact CG1-CD2 3.96Å; V370-L379 HydrophobicContact CG2-CD2 3.83Å; V370-F401 HydrophobicContact CG1-CD1 4.35Å; V370-F401 HydrophobicContact CG1-CE1 3.74Å; V370-F401 HydrophobicContact CG1-CE2 4.06Å; V370-F401 HydrophobicContact CG1-CZ 3.59Å; V370-F401 HydrophobicContact CG2-CD1 4.24Å; V370-F401 HydrophobicContact CG2-CE1 4.42Å; V370-F401 HydrophobicContact CG2-CG 4.45Å; V370-F403 HydrophobicContact CG2-CE1 4.37Å; V370-F403 HydrophobicContact CG2-CE2 4.43Å; V370-F403 HydrophobicContact CG2-CZ 3.56Å |
| 371 | T | 90.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.5 | -175.7 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | L349 I357 D359 V360 L377 I378 | L349-T371 HydrophobicContact CD1-CG2 4.3Å; L349-T371 WeakPolarHBondContact CD1-OG1 3.3Å; L349-T371 HydrophobicContact CD2-CG2 3.63Å; I357-T371 HydrophobicContact CB-CG2 4.38Å; I357-T371 HydrophobicContact CG1-CG2 4.19Å; I357-T371 HydrophobicContact CG2-CG2 3.44Å; I357-T371 VanDerWaalsContact CG2-CG2 3.44Å; D359-T371 CarbonylContact O-C 3.54Å; D359-T371 VanDerWaalsContact O-CA 3.26Å; D359-T371 WeakPolarHBondContact O-CA 3.49Å; D359-T371 WeakPolarHBondContact O-CG2 3.46Å; V360-T371 HydrophobicContact CG2-CG2 3.83Å; T371-L377 CarbonylContact O-C 3.51Å; T371-L377 WeakPolarHBondContact O-CA 3.47Å; T371-I378 HydrophobicContact CG2-CD1 4.44Å; T371-I378 PolarHBondContact N-O 3.31Å; T371-I378 PolarHBondContact O-N 2.9Å |
| 372 | H | 88.8 | Confident | 86.7 | Confident | 33 Ų | 33 | 29.7 Ų | 29.7 | 15% | 0.153 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138 | 178.5 | -65.1 | 73.5 | 0 | 0 | 0 | 110.2 | D358 D359 E399 | D358-H372 PolarHBondContact N-O 3Å; D359-H372 PolarHBondContact O-N 3.41Å; H372-E399 IonicContact NE2-OE2 2.93Å |
| 373 | T | 86.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -173.6 | 166.2 | 80.4 | 0 | 0 | 0 | 0 | 109.9 | E356 I357 D358 H375 T376 I378 K395 | E356-T373 VanDerWaalsContact O-CA 3.24Å; E356-T373 WeakPolarHBondContact O-CA 3.49Å; E356-T373 VanDerWaalsContact O-CB 3.24Å; E356-T373 WeakPolarHBondContact O-CB 3.33Å; I357-T373 HydrophobicContact CG1-CG2 4.39Å; D358-T373 VanDerWaalsContact OD2-C 3.25Å; T373-H375 VanDerWaalsContact C-N 3.26Å; T373-H375 PolarHBondContact O-N 3.01Å; T373-H375 PolarHBondContact OG1-N 3.04Å; T373-T376 VanDerWaalsContact CG2-OG1 3.3Å; T373-T376 WeakPolarHBondContact CG2-OG1 3.32Å; T373-T376 PolarHBondContact N-O 3.1Å; T373-T376 WeakPolarHBondContact OG1-CA 3.36Å; T373-T376 WeakPolarHBondContact OG1-CB 3.36Å; T373-T376 PolarHBondContact OG1-N 3.48Å; T373-T376 PolarHBondContact OG1-O 3.18Å; T373-T376 VanDerWaalsContact OG1-O 3.13Å; T373-T376 PolarHBondContact OG1-OG1 3.27Å; T373-I378 HydrophobicContact CG2-CD1 4.15Å; T373-K395 WeakPolarHBondContact O-CE 3.43Å; T373-K395 PolarHBondContact O-NZ 3.3Å |
| 374 | S | 78.5 | Confident | 86 | Confident | 44 Ų | 44 | 39.4 Ų | 39.4 | 31% | 0.308 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -58.9 | -34.5 | 174.4 | 55 | 0 | 0 | 0 | 0 | 113.7 | D358 | D358-S374 PolarHBondContact OD2-N 2.84Š|
| 375 | H | 81.5 | Confident | 86.1 | Confident | 103 Ų | 103 | 42.7 Ų | 42.7 | 48% | 0.477 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -139.4 | -2.1 | -173.3 | -61.6 | -63.2 | 0 | 0 | 0 | 115 | Y355 T373 W392 | Y355-H375 HydrophobicContact CD2-CB 4.42Å; Y355-H375 HydrophobicContact CE2-CB 4.05Å; T373-H375 VanDerWaalsContact C-N 3.26Å; T373-H375 PolarHBondContact O-N 3.01Å; T373-H375 PolarHBondContact OG1-N 3.04Å; H375-W392 CarbonylContact C-O 3.42Å; H375-W392 CarbonylContact O-C 3.55Å; H375-W392 PolarHBondContact O-N 3.08Å |
| 376 | T | 87.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 159.2 | -177.6 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | F353 Y355 T373 E389 V390 | F353-T376 HydrophobicContact CD2-CG2 3.82Å; F353-T376 HydrophobicContact CE2-CG2 4.21Å; Y355-T376 HydrophobicContact CD2-CG2 3.62Å; Y355-T376 HydrophobicContact CE2-CG2 3.63Å; T373-T376 VanDerWaalsContact CG2-OG1 3.3Å; T373-T376 WeakPolarHBondContact CG2-OG1 3.32Å; T373-T376 PolarHBondContact N-O 3.1Å; T373-T376 WeakPolarHBondContact OG1-CA 3.36Å; T373-T376 WeakPolarHBondContact OG1-CB 3.36Å; T373-T376 PolarHBondContact OG1-N 3.48Å; T373-T376 PolarHBondContact OG1-O 3.18Å; T373-T376 VanDerWaalsContact OG1-O 3.13Å; T373-T376 PolarHBondContact OG1-OG1 3.27Å; T376-E389 HydrophobicContact CG2-CG 4.2Å; T376-E389 PolarHBondContact OG1-OE1 3.29Å; T376-V390 CarbonylContact C-O 3.56Å; T376-V390 WeakPolarHBondContact CA-O 3.1Å; T376-V390 WeakPolarHBondContact CB-O 3.3Å |
| 377 | L | 89.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124 | 172.6 | 177.1 | 74.9 | 0 | 0 | 0 | 108.1 | V370 T371 L379 E389 V390 W392 F401 I411 I420 | V370-L377 HydrophobicContact CG1-CD1 3.84Å; T371-L377 CarbonylContact O-C 3.51Å; T371-L377 WeakPolarHBondContact O-CA 3.47Å; L377-L379 HydrophobicContact CD2-CD1 4.49Å; L377-L379 HydrophobicContact CD2-CD2 4.17Å; L377-L379 HydrophobicContact CD2-CG 4.18Å; L377-L379 HydrophobicContact CG-CD2 4.25Å; L377-L379 HydrophobicContact CG-CG 4.28Å; L377-E389 WeakPolarHBondContact O-CA 3.48Å; L377-V390 HydrophobicContact CB-CG2 4.01Å; L377-V390 PolarHBondContact N-O 2.83Å; L377-V390 PolarHBondContact O-N 3.2Å; L377-W392 HydrophobicContact CB-CB 3.52Å; L377-W392 HydrophobicContact CB-CD2 4.26Å; L377-W392 HydrophobicContact CB-CG 3.76Å; L377-W392 HydrophobicContact CD2-CD2 4.1Å; L377-W392 HydrophobicContact CD2-CE3 4.28Å; L377-W392 HydrophobicContact CD2-CG 4.38Å; L377-F401 HydrophobicContact CD1-CZ 4.43Å; L377-F401 HydrophobicContact CD2-CE1 4.05Å; L377-F401 HydrophobicContact CD2-CZ 4.47Å; L377-I411 HydrophobicContact CD2-CD1 3.4Å; L377-I411 VanDerWaalsContact CD2-CD1 3.4Å; L377-I420 HydrophobicContact CD2-CD1 4.46Å |
| 378 | I | 90.9 | Very high | 86.5 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 116 | 175.3 | -54.9 | 165.9 | 0 | 0 | 0 | 108.2 | L349 T371 T373 S388 E389 | L349-I378 HydrophobicContact CD1-CG2 3.92Å; L349-I378 HydrophobicContact CD2-CD1 3.79Å; L349-I378 HydrophobicContact CD2-CG2 4.45Å; L349-I378 HydrophobicContact CG-CD1 4.45Å; L349-I378 HydrophobicContact CG-CG2 4.06Å; T371-I378 HydrophobicContact CG2-CD1 4.44Å; T371-I378 PolarHBondContact N-O 3.31Å; T371-I378 PolarHBondContact O-N 2.9Å; T373-I378 HydrophobicContact CG2-CD1 4.15Å; I378-S388 CarbonylContact C-O 3.55Å; I378-S388 VanDerWaalsContact CA-O 3.27Å; I378-S388 WeakPolarHBondContact CA-O 3.08Å; I378-E389 HydrophobicContact CD1-CG 4.34Å; I378-E389 HydrophobicContact CG1-CB 3.84Å; I378-E389 HydrophobicContact CG1-CG 3.6Å |
| 379 | L | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 146.7 | 172.3 | -65.5 | -176.7 | 0 | 0 | 0 | 110.2 | L369 V370 L377 L387 S388 F401 C409 I411 I420 Y422 | L369-L379 CarbonylContact O-C 3.57Å; L369-L379 WeakPolarHBondContact O-CA 3.34Å; V370-L379 HydrophobicContact CB-CD2 4.19Å; V370-L379 HydrophobicContact CG1-CD2 3.96Å; V370-L379 HydrophobicContact CG2-CD2 3.83Å; L377-L379 HydrophobicContact CD2-CD1 4.49Å; L377-L379 HydrophobicContact CD2-CD2 4.17Å; L377-L379 HydrophobicContact CD2-CG 4.18Å; L377-L379 HydrophobicContact CG-CD2 4.25Å; L377-L379 HydrophobicContact CG-CG 4.28Å; L379-L387 CarbonylContact O-C 3.58Å; L379-L387 WeakPolarHBondContact O-CA 3.23Å; L379-S388 PolarHBondContact N-O 2.9Å; L379-S388 PolarHBondContact O-N 3.03Å; L379-F401 HydrophobicContact CD2-CD1 4.33Å; L379-F401 HydrophobicContact CD2-CE1 4.09Å; L379-C409 HydrophobicContact CD1-CB 3.82Å; L379-I411 HydrophobicContact CD1-CD1 4.22Å; L379-I420 HydrophobicContact CD1-CB 4.01Å; L379-I420 HydrophobicContact CD1-CD1 3.77Å; L379-I420 HydrophobicContact CD1-CG1 4.46Å; L379-I420 HydrophobicContact CD1-CG2 4.08Å; L379-Y422 HydrophobicContact CB-CD1 4.48Å; L379-Y422 HydrophobicContact CB-CE1 4.16Å |
| 380 | G | 85.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 140.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y368 L369 Q386 L387 | Y368-G380 CarbonylContact C-O 3.55Å; Y368-G380 VanDerWaalsContact CA-O 3.24Å; Y368-G380 WeakPolarHBondContact CA-O 3.24Å; L369-G380 PolarHBondContact N-O 3.47Å; L369-G380 PolarHBondContact O-N 3.4Å; G380-Q386 CarbonylContact C-O 3.55Å; G380-Q386 VanDerWaalsContact CA-O 3.25Å; G380-Q386 WeakPolarHBondContact CA-O 3.26Å; G380-L387 VanDerWaalsContact CA-CD2 3.49Å |
| 381 | D | 86.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.7 | 161.4 | -172.4 | -10 | 0 | 0 | 0 | 109 | R367 Y368 H383 E384 N385 Q386 Y422 | R367-D381 WeakPolarHBondContact CG-OD1 3.27Å; R367-D381 IonicContact CZ-OD1 3.44Å; R367-D381 IonicContact CZ-OD2 2.64Å; R367-D381 VanDerWaalsContact CZ-OD2 3.28Å; R367-D381 IonicContact NE-OD1 3.34Å; R367-D381 PolarHBondContact NE-OD1 2.96Å; R367-D381 IonicContact NE-OD2 3.88Å; R367-D381 PolarHBondContact NE-OD2 2.9Å; R367-D381 IonicContact NH2-OD2 3.83Å; R367-D381 PolarHBondContact NH2-OD2 3.11Å; Y368-D381 HydrophobicContact CD1-CB 4.13Å; Y368-D381 HydrophobicContact CE1-CB 4.08Å; D381-H383 VanDerWaalsContact C-N 3.31Å; D381-H383 PolarHBondContact O-N 3.48Å; D381-H383 PolarHBondContact OD1-N 2.88Å; D381-E384 HydrophobicContact CB-CB 4.39Å; D381-N385 WeakPolarHBondContact O-CA 3.26Å; D381-N385 PolarHBondContact O-N 3.41Å; D381-Q386 PolarHBondContact N-O 3.08Å; D381-Q386 PolarHBondContact O-N 3.38Å; D381-Y422 HydrophobicContact CB-CD2 4.39Å; D381-Y422 HydrophobicContact CB-CG 4.34Å |
| 382 | L | 84.2 | Confident | 85.9 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.126 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -26.6 | 179.1 | -70 | 170.1 | 0 | 0 | 0 | 112.8 | F326 T347 V362 R367 L369 | F326-L382 HydrophobicContact CE1-CD1 3.8Å; F326-L382 HydrophobicContact CZ-CD1 4.09Å; T347-L382 HydrophobicContact CG2-CD2 3.59Å; T347-L382 WeakPolarHBondContact OG1-CD2 3.37Å; V362-L382 HydrophobicContact CG1-CD1 4.05Å; R367-L382 WeakPolarHBondContact O-CB 3.45Å; R367-L382 VanDerWaalsContact O-CG 3.3Å; R367-L382 WeakPolarHBondContact O-CG 3.31Å; R367-L382 PolarHBondContact O-N 2.92Å; L369-L382 HydrophobicContact CD1-CD2 3.35Å; L369-L382 HydrophobicContact CD1-CG 4.07Å; L369-L382 HydrophobicContact CG-CD1 4.25Å; L369-L382 HydrophobicContact CG-CD2 3.77Å; L369-L382 HydrophobicContact CG-CG 3.97Å |
| 383 | H | 81.5 | Confident | 85 | Confident | 142 Ų | 142 | 44.3 Ų | 44.3 | 66% | 0.657 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -49.3 | -178.3 | -78.2 | -142.6 | 0 | 0 | 0 | 111.3 | D381 N385 | D381-H383 VanDerWaalsContact C-N 3.31Å; D381-H383 PolarHBondContact O-N 3.48Å; D381-H383 PolarHBondContact OD1-N 2.88Å; H383-N385 VanDerWaalsContact C-N 3.28Å |
| 384 | E | 78.6 | Confident | 83.8 | Confident | 124 Ų | 124 | 49.8 Ų | 49.8 | 58% | 0.579 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7 | 178.1 | -62.8 | -64.7 | 158.1 | 0 | 0 | 112.6 | D381 Q386 | D381-E384 HydrophobicContact CB-CB 4.39Å; E384-Q386 HydrophobicContact CB-CG 4.06Å; E384-Q386 PolarHBondContact O-N 2.91Å |
| 385 | N | 81.3 | Confident | 83 | Confident | 96 Ų | 96 | 53.2 Ų | 53.2 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 36.5 | -176.3 | -159.3 | 24.2 | 0 | 0 | 0 | 113.4 | T347 D381 H383 | T347-N385 VanDerWaalsContact CG2-OD1 3.28Å; T347-N385 WeakPolarHBondContact CG2-OD1 3.48Å; D381-N385 WeakPolarHBondContact O-CA 3.26Å; D381-N385 PolarHBondContact O-N 3.41Å; H383-N385 VanDerWaalsContact C-N 3.28Å |
| 386 | Q | 84.2 | Confident | 82 | Confident | 81 Ų | 81 | 52.2 Ų | 52.2 | 38% | 0.379 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.8 | 179.1 | -69 | -177 | -4.4 | 0 | 0 | 109.9 | G380 D381 E384 Y422 | G380-Q386 CarbonylContact C-O 3.55Å; G380-Q386 VanDerWaalsContact CA-O 3.25Å; G380-Q386 WeakPolarHBondContact CA-O 3.26Å; D381-Q386 PolarHBondContact N-O 3.08Å; D381-Q386 PolarHBondContact O-N 3.38Å; E384-Q386 HydrophobicContact CB-CG 4.06Å; E384-Q386 PolarHBondContact O-N 2.91Å; Q386-Y422 PolarHBondContact OE1-O 2.91Å |
| 387 | L | 86.8 | Confident | 80.8 | Confident | 43 Ų | 43 | 58.3 Ų | 58.3 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.8 | 177.4 | -58.8 | 179.3 | 0 | 0 | 0 | 110.8 | V348 L379 G380 | V348-L387 WeakPolarHBondContact O-CD1 3.41Å; L379-L387 CarbonylContact O-C 3.58Å; L379-L387 WeakPolarHBondContact O-CA 3.23Å; G380-L387 VanDerWaalsContact CA-CD2 3.49Å |
| 388 | S | 89.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.5 | 177.2 | -64.7 | 0 | 0 | 0 | 0 | 109.7 | I378 L379 E421 Y422 G423 V424 | I378-S388 CarbonylContact C-O 3.55Å; I378-S388 VanDerWaalsContact CA-O 3.27Å; I378-S388 WeakPolarHBondContact CA-O 3.08Å; L379-S388 PolarHBondContact N-O 2.9Å; L379-S388 PolarHBondContact O-N 3.03Å; S388-E421 PolarHBondContact OG-O 3.13Å; S388-Y422 WeakPolarHBondContact OG-CA 3.49Å; S388-G423 PolarHBondContact OG-N 2.82Å; S388-V424 WeakPolarHBondContact CB-O 3.3Å; S388-V424 PolarHBondContact OG-N 3.41Å; S388-V424 VanDerWaalsContact OG-N 3.15Å; S388-V424 PolarHBondContact OG-O 3.47Å; S388-V424 VanDerWaalsContact OG-O 3.09Å |
| 389 | E | 90.1 | Very high | 79.5 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 112.5 | 172.4 | -175.7 | 169.5 | -165.8 | 0 | 0 | 110.6 | S351 K352 F353 T376 L377 I378 N425 | S351-E389 WeakPolarHBondContact CA-OE2 3.36Å; S351-E389 WeakPolarHBondContact CB-OE1 3.34Å; S351-E389 PolarHBondContact OG-OE1 2.97Å; K352-E389 WeakPolarHBondContact CB-OE2 3.24Å; K352-E389 PolarHBondContact N-OE2 3.23Å; F353-E389 HydrophobicContact CD2-CG 4.03Å; F353-E389 HydrophobicContact CE2-CG 4.15Å; T376-E389 HydrophobicContact CG2-CG 4.2Å; T376-E389 PolarHBondContact OG1-OE1 3.29Å; L377-E389 WeakPolarHBondContact O-CA 3.48Å; I378-E389 HydrophobicContact CD1-CG 4.34Å; I378-E389 HydrophobicContact CG1-CB 3.84Å; I378-E389 HydrophobicContact CG1-CG 3.6Å; E389-N425 PolarHBondContact N-OD1 3.33Å; E389-N425 VanDerWaalsContact N-OD1 3.16Å; E389-N425 CarbonylContact O-C 3.51Å; E389-N425 WeakPolarHBondContact O-CA 3.4Å; E389-N425 VanDerWaalsContact O-CB 3.32Å; E389-N425 WeakPolarHBondContact O-CB 3.4Å; E389-N425 VanDerWaalsContact O-O 3.09Å |
| 390 | V | 89.2 | Confident | 79.2 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 151.8 | 179.6 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | T376 L377 W392 I420 I427 | T376-V390 CarbonylContact C-O 3.56Å; T376-V390 WeakPolarHBondContact CA-O 3.1Å; T376-V390 WeakPolarHBondContact CB-O 3.3Å; L377-V390 HydrophobicContact CB-CG2 4.01Å; L377-V390 PolarHBondContact N-O 2.83Å; L377-V390 PolarHBondContact O-N 3.2Å; V390-W392 HydrophobicContact CG2-CE3 4.43Å; V390-W392 PolarHBondContact O-N 3.42Å; V390-I420 HydrophobicContact CB-CD1 4.49Å; V390-I420 HydrophobicContact CG1-CD1 4.17Å; V390-I420 HydrophobicContact CG1-CG1 4.48Å; V390-I420 HydrophobicContact CG1-CG2 3.99Å; V390-I420 HydrophobicContact CG2-CD1 3.63Å; V390-I427 HydrophobicContact CB-CG1 3.97Å; V390-I427 HydrophobicContact CG1-CG1 4.13Å; V390-I427 HydrophobicContact CG2-CG1 4.28Å |
| 391 | Q | 85.9 | Confident | 79.4 | Confident | 146 Ų | 146 | 77.9 Ų | 77.9 | 68% | 0.682 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 128.1 | 169.8 | -66.7 | -167.9 | -0.6 | 0 | 0 | 110.5 | ||
| 392 | W | 86.2 | Confident | 79.4 | Confident | 16 Ų | 16 | 81.5 Ų | 81.5 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | trans | -146.9 | 86.9 | -175.9 | -159.4 | -96 | 0 | 0 | 0 | 109.9 | H375 L377 V390 R394 E399 I411 Y418 I427 | H375-W392 CarbonylContact C-O 3.42Å; H375-W392 CarbonylContact O-C 3.55Å; H375-W392 PolarHBondContact O-N 3.08Å; L377-W392 HydrophobicContact CB-CB 3.52Å; L377-W392 HydrophobicContact CB-CD2 4.26Å; L377-W392 HydrophobicContact CB-CG 3.76Å; L377-W392 HydrophobicContact CD2-CD2 4.1Å; L377-W392 HydrophobicContact CD2-CE3 4.28Å; L377-W392 HydrophobicContact CD2-CG 4.38Å; V390-W392 HydrophobicContact CG2-CE3 4.43Å; V390-W392 PolarHBondContact O-N 3.42Å; W392-R394 PolarHBondContact NE1-O 2.96Å; W392-R394 VanDerWaalsContact NE1-O 3.11Å; W392-E399 HydrophobicContact CZ2-CG 4.41Å; W392-E399 VanDerWaalsContact NE1-CD 3.33Å; W392-E399 PolarHBondContact NE1-OE1 2.67Å; W392-E399 PolarHBondContact NE1-OE2 2.67Å; W392-E399 VanDerWaalsContact NE1-OE2 3.17Å; W392-I411 HydrophobicContact CH2-CB 4.19Å; W392-I411 HydrophobicContact CH2-CD1 3.91Å; W392-I411 HydrophobicContact CH2-CG2 3.81Å; W392-I411 HydrophobicContact CZ2-CD1 4.41Å; W392-I411 HydrophobicContact CZ2-CG2 3.91Å; W392-I411 HydrophobicContact CZ3-CD1 4.1Å; W392-Y418 AromaticContact CH2-CD2 3.64Å; W392-Y418 HydrophobicContact CH2-CD2 3.64Å; W392-Y418 AromaticContact CH2-CE2 3.99Å; W392-Y418 HydrophobicContact CH2-CE2 3.99Å; W392-Y418 HydrophobicContact CH2-CG 4.03Å; W392-Y418 HydrophobicContact CZ3-CD1 4.48Å; W392-Y418 HydrophobicContact CZ3-CD2 4.18Å; W392-Y418 HydrophobicContact CZ3-CG 4.1Å; W392-I427 HydrophobicContact CE3-CD1 4.35Å; W392-I427 HydrophobicContact CZ3-CD1 4.29Å | ||
| 393 | S | 69.9 | Low | 79.5 | Confident | 100 Ų | 100 | 81.8 Ų | 81.8 | 70% | 0.699 | 39% | 0.39 | S | S | * | . | trans | -85.7 | -8.8 | -178.7 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | K395 | S393-K395 PolarHBondContact O-N 2.9Š| ||
| 394 | R | 60.9 | Low | 79.4 | Confident | 115 Ų | 115 | 77.2 Ų | 77.2 | 43% | 0.434 | 38% | 0.381 | S | S | . | . | trans | -93.9 | 93.4 | -176.7 | -61.6 | -179.3 | -176.5 | -175.7 | 1.9 | 108.8 | W392 N396 E416 Y418 | W392-R394 PolarHBondContact NE1-O 2.96Å; W392-R394 VanDerWaalsContact NE1-O 3.11Å; R394-N396 VanDerWaalsContact C-N 3.34Å; R394-N396 PolarHBondContact O-N 3.02Å; R394-N396 VanDerWaalsContact O-N 3.17Å; R394-E416 IonicContact NH1-OE2 3.94Å; R394-E416 PolarHBondContact NH1-OE2 2.83Å; R394-Y418 PolarHBondContact NH1-OH 3.44Å | ||
| 395 | K | 60.8 | Low | 79.6 | Confident | 116 Ų | 116 | 72.6 Ų | 72.6 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | trans | -84.5 | 78.3 | 169.6 | -71.7 | -175.8 | 176.8 | -176.8 | 0 | 109.3 | D358 T373 S393 | D358-K395 IonicContact OD2-NZ 2.7Å; D358-K395 PolarHBondContact OD2-NZ 3.44Å; T373-K395 WeakPolarHBondContact O-CE 3.43Å; T373-K395 PolarHBondContact O-NZ 3.3Å; S393-K395 PolarHBondContact O-N 2.9Å | ||
| 396 | N | 61.7 | Low | 79.7 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 44% | 0.444 | 36% | 0.359 | S | S | . | . | trans | -102.1 | 127.1 | 179.2 | -125.6 | -12.8 | 0 | 0 | 0 | 110.2 | R394 K398 E399 S414 | R394-N396 VanDerWaalsContact C-N 3.34Å; R394-N396 PolarHBondContact O-N 3.02Å; R394-N396 VanDerWaalsContact O-N 3.17Å; N396-K398 PolarHBondContact O-N 3.43Å; N396-E399 PolarHBondContact N-OE1 3.12Å; N396-E399 PolarHBondContact O-N 3.3Å; N396-S414 PolarHBondContact ND2-OG 2.99Å | ||
| 397 | P | 61.6 | Low | 79.7 | Confident | 129 Ų | 129 | 73.1 Ų | 73.1 | 84% | 0.838 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 0 | -175.4 | 25.2 | -33.3 | 0 | 0 | 0 | 115 | ||
| 398 | K | 72.3 | Confident | 79.8 | Confident | 183 Ų | 183 | 71 Ų | 71 | 80% | 0.796 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | 13.7 | -174.9 | -66.5 | -173.6 | 178.4 | -180 | 0 | 114.7 | N396 | N396-K398 PolarHBondContact O-N 3.43Š|
| 399 | E | 81.1 | Confident | 79.8 | Confident | 30 Ų | 30 | 71 Ų | 71 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | trans | -66.5 | 134 | 176.7 | -69.6 | 166.7 | -160.9 | 0 | 0 | 112 | H372 W392 N396 F401 F412 | H372-E399 IonicContact NE2-OE2 2.93Å; W392-E399 HydrophobicContact CZ2-CG 4.41Å; W392-E399 VanDerWaalsContact NE1-CD 3.33Å; W392-E399 PolarHBondContact NE1-OE1 2.67Å; W392-E399 PolarHBondContact NE1-OE2 2.67Å; W392-E399 VanDerWaalsContact NE1-OE2 3.17Å; N396-E399 PolarHBondContact N-OE1 3.12Å; N396-E399 PolarHBondContact O-N 3.3Å; E399-F401 HydrophobicContact CB-CE2 4.24Å; E399-F412 WeakPolarHBondContact CA-O 3.43Å | ||
| 400 | R | 85.8 | Confident | 79.8 | Confident | 164 Ų | 164 | 71 Ų | 71 | 62% | 0.619 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.4 | 177.3 | -63.7 | -178.5 | 178.5 | 178.6 | -1.2 | 110.1 | F412 | R400-F412 HydrophobicContact CB-CB 4.34Å; R400-F412 PolarHBondContact N-O 3.29Å; R400-F412 PolarHBondContact O-N 2.91Å |
| 401 | F | 88.7 | Confident | 79.8 | Confident | 37 Ų | 37 | 70.9 Ų | 70.9 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.8 | 178.7 | -61.5 | -94.2 | 0 | 0 | 0 | 110.2 | M363 V370 L377 L379 E399 F403 I411 | M363-F401 HydrophobicContact SD-CD2 4.23Å; V370-F401 HydrophobicContact CG1-CD1 4.35Å; V370-F401 HydrophobicContact CG1-CE1 3.74Å; V370-F401 HydrophobicContact CG1-CE2 4.06Å; V370-F401 HydrophobicContact CG1-CZ 3.59Å; V370-F401 HydrophobicContact CG2-CD1 4.24Å; V370-F401 HydrophobicContact CG2-CE1 4.42Å; V370-F401 HydrophobicContact CG2-CG 4.45Å; L377-F401 HydrophobicContact CD1-CZ 4.43Å; L377-F401 HydrophobicContact CD2-CE1 4.05Å; L377-F401 HydrophobicContact CD2-CZ 4.47Å; L379-F401 HydrophobicContact CD2-CD1 4.33Å; L379-F401 HydrophobicContact CD2-CE1 4.09Å; E399-F401 HydrophobicContact CB-CE2 4.24Å; F401-F403 HydrophobicContact CB-CD2 4.22Å; F401-F403 HydrophobicContact CB-CE1 4.43Å; F401-F403 HydrophobicContact CB-CE2 3.39Å; F401-F403 HydrophobicContact CB-CZ 3.51Å; F401-F403 HydrophobicContact CD1-CZ 4.22Å; F401-F403 HydrophobicContact CG-CE2 4.31Å; F401-F403 HydrophobicContact CG-CZ 4.08Å; F401-I411 HydrophobicContact CD1-CD1 4.14Å; F401-I411 HydrophobicContact CD1-CG1 3.77Å; F401-I411 HydrophobicContact CD1-CG2 4.38Å; F401-I411 HydrophobicContact CE1-CD1 3.65Å; F401-I411 HydrophobicContact CE1-CG1 3.78Å; F401-I411 HydrophobicContact CE1-CG2 4.11Å; F401-I411 HydrophobicContact CZ-CG2 4.41Å |
| 402 | Y | 87.8 | Confident | 80 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 30% | 0.302 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117 | 174.8 | -178.4 | -103.1 | 0 | 0 | 0 | 110.5 | Y405 I410 P438 | Y402-Y405 HydrophobicContact CD1-CD2 4.18Å; Y402-Y405 HydrophobicContact CD1-CE2 4.05Å; Y402-Y405 AromaticContact CE1-CD2 3.96Å; Y402-Y405 HydrophobicContact CE1-CD2 3.96Å; Y402-Y405 AromaticContact CE1-CE2 3.65Å; Y402-Y405 HydrophobicContact CE1-CE2 3.65Å; Y402-I410 HydrophobicContact CD1-CD1 4.43Å; Y402-I410 PolarHBondContact N-O 3.33Å; Y402-I410 PolarHBondContact O-N 3.33Å; Y402-P438 HydrophobicContact CD2-CB 4.17Å; Y402-P438 HydrophobicContact CE1-CB 4.04Å; Y402-P438 HydrophobicContact CE2-CB 3.45Å; Y402-P438 VanDerWaalsContact CE2-CB 3.45Å; Y402-P438 HydrophobicContact CE2-CG 3.82Å; Y402-P438 WeakPolarHBondContact OH-CB 3.17Å |
| 403 | F | 86.3 | Confident | 79.7 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | trans | -109.3 | 33.3 | -173.9 | -62.7 | -68.6 | 0 | 0 | 0 | 112.6 | M363 Y368 V370 F401 Y405 C409 Y422 | M363-F403 HydrophobicContact CB-CD2 4.04Å; M363-F403 HydrophobicContact CB-CE2 3.37Å; M363-F403 HydrophobicContact CB-CZ 3.99Å; M363-F403 HydrophobicContact CE-CE2 4.28Å; M363-F403 HydrophobicContact CG-CE2 4.25Å; M363-F403 HydrophobicContact SD-CE2 4.03Å; M363-F403 HydrophobicContact SD-CZ 4.46Å; Y368-F403 HydrophobicContact CD1-CD1 4.16Å; Y368-F403 HydrophobicContact CD2-CB 3.58Å; Y368-F403 AromaticContact CD2-CD1 3.55Å; Y368-F403 HydrophobicContact CD2-CD1 3.55Å; Y368-F403 HydrophobicContact CD2-CE1 4.38Å; Y368-F403 AromaticContact CD2-CG 3.65Å; Y368-F403 HydrophobicContact CD2-CG 3.65Å; Y368-F403 HydrophobicContact CE2-CB 3.66Å; Y368-F403 HydrophobicContact CE2-CD1 4.21Å; Y368-F403 HydrophobicContact CE2-CG 4.22Å; Y368-F403 HydrophobicContact CG-CB 4.4Å; Y368-F403 AromaticContact CG-CD1 3.5Å; Y368-F403 HydrophobicContact CG-CD1 3.5Å; Y368-F403 VanDerWaalsContact CG-CD1 3.5Å; Y368-F403 AromaticContact CG-CE1 3.96Å; Y368-F403 HydrophobicContact CG-CE1 3.96Å; Y368-F403 HydrophobicContact CG-CG 4.07Å; V370-F403 HydrophobicContact CG2-CE1 4.37Å; V370-F403 HydrophobicContact CG2-CE2 4.43Å; V370-F403 HydrophobicContact CG2-CZ 3.56Å; F401-F403 HydrophobicContact CB-CD2 4.22Å; F401-F403 HydrophobicContact CB-CE1 4.43Å; F401-F403 HydrophobicContact CB-CE2 3.39Å; F401-F403 HydrophobicContact CB-CZ 3.51Å; F401-F403 HydrophobicContact CD1-CZ 4.22Å; F401-F403 HydrophobicContact CG-CE2 4.31Å; F401-F403 HydrophobicContact CG-CZ 4.08Å; F403-Y405 VanDerWaalsContact C-N 3.32Å; F403-C409 HydrophobicContact CE1-CB 4.32Å; F403-C409 WeakPolarHBondContact CE1-SG 3.21Å; F403-Y422 WeakPolarHBondContact CD1-OH 3.2Å | ||
| 404 | G | 78.4 | Confident | 79.9 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 46% | 0.464 | 31% | 0.312 | S | S | . | . | trans | -76.1 | -18.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 405 | Y | 83.2 | Confident | 80.6 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | trans | -106.6 | 140.1 | -176.8 | -57.4 | -78.3 | 0 | 0 | 0 | 111.3 | Y368 Y402 F403 F408 I410 I441 A443 | Y368-Y405 PolarHBondContact OH-O 2.84Å; Y402-Y405 HydrophobicContact CD1-CD2 4.18Å; Y402-Y405 HydrophobicContact CD1-CE2 4.05Å; Y402-Y405 AromaticContact CE1-CD2 3.96Å; Y402-Y405 HydrophobicContact CE1-CD2 3.96Å; Y402-Y405 AromaticContact CE1-CE2 3.65Å; Y402-Y405 HydrophobicContact CE1-CE2 3.65Å; F403-Y405 VanDerWaalsContact C-N 3.32Å; Y405-F408 AromaticContact CD1-CE1 3.85Å; Y405-F408 HydrophobicContact CD1-CE1 3.85Å; Y405-F408 HydrophobicContact CD1-CE2 4.33Å; Y405-F408 AromaticContact CD1-CZ 3.49Å; Y405-F408 HydrophobicContact CD1-CZ 3.49Å; Y405-F408 VanDerWaalsContact CD1-CZ 3.49Å; Y405-F408 HydrophobicContact CD2-CD2 4.15Å; Y405-F408 HydrophobicContact CD2-CE1 4.2Å; Y405-F408 AromaticContact CD2-CE2 3.27Å; Y405-F408 HydrophobicContact CD2-CE2 3.27Å; Y405-F408 AromaticContact CD2-CZ 3.3Å; Y405-F408 HydrophobicContact CD2-CZ 3.3Å; Y405-F408 AromaticContact CE1-CZ 3.95Å; Y405-F408 HydrophobicContact CE1-CZ 3.95Å; Y405-F408 AromaticContact CE2-CE2 3.78Å; Y405-F408 HydrophobicContact CE2-CE2 3.78Å; Y405-F408 AromaticContact CE2-CZ 3.75Å; Y405-F408 HydrophobicContact CE2-CZ 3.75Å; Y405-F408 HydrophobicContact CG-CD1 4.39Å; Y405-F408 HydrophobicContact CG-CD2 4.36Å; Y405-F408 AromaticContact CG-CE1 3.61Å; Y405-F408 HydrophobicContact CG-CE1 3.61Å; Y405-F408 AromaticContact CG-CE2 3.58Å; Y405-F408 HydrophobicContact CG-CE2 3.58Å; Y405-F408 AromaticContact CG-CZ 3.13Å; Y405-F408 HydrophobicContact CG-CZ 3.13Å; Y405-I410 HydrophobicContact CD2-CD1 4.17Å; Y405-I410 HydrophobicContact CD2-CG1 4.44Å; Y405-I410 HydrophobicContact CE2-CD1 3.66Å; Y405-I410 HydrophobicContact CE2-CG1 4.41Å; Y405-I441 PolarHBondContact OH-O 2.8Å; Y405-A443 WeakPolarHBondContact CE1-O 3.36Å; Y405-A443 PolarHBondContact OH-N 2.91Å | ||
| 406 | N | 82.6 | Confident | 81.8 | Confident | 98 Ų | 98 | 57 Ų | 57 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -72.9 | -38.3 | -177.1 | -74.4 | -22.9 | 0 | 0 | 0 | 112.7 | R367 Y422 | R367-N406 PolarHBondContact NH1-OD1 3.43Å; N406-Y422 WeakPolarHBondContact O-CD2 3.42Å |
| 407 | K | 84.7 | Confident | 83.1 | Confident | 89 Ų | 89 | 53 Ų | 53 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -92.1 | -16.6 | -171.7 | -66.7 | -174.2 | 178.6 | -173.4 | 0 | 114.8 | Y422 V445 N446 E447 | K407-Y422 VanDerWaalsContact C-CD2 3.43Å; K407-Y422 WeakPolarHBondContact O-CD2 3.41Å; K407-Y422 PolarHBondContact O-N 2.9Å; K407-V445 WeakPolarHBondContact CD-O 3.48Å; K407-N446 PolarHBondContact NZ-O 3.23Å; K407-E447 HydrophobicContact CD-CG 4.43Å |
| 408 | F | 89.2 | Confident | 84.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 160.4 | -176.5 | 65.4 | -87.5 | 0 | 0 | 0 | 111.9 | Y405 I410 V419 I420 A443 V445 | Y405-F408 AromaticContact CD1-CE1 3.85Å; Y405-F408 HydrophobicContact CD1-CE1 3.85Å; Y405-F408 HydrophobicContact CD1-CE2 4.33Å; Y405-F408 AromaticContact CD1-CZ 3.49Å; Y405-F408 HydrophobicContact CD1-CZ 3.49Å; Y405-F408 VanDerWaalsContact CD1-CZ 3.49Å; Y405-F408 HydrophobicContact CD2-CD2 4.15Å; Y405-F408 HydrophobicContact CD2-CE1 4.2Å; Y405-F408 AromaticContact CD2-CE2 3.27Å; Y405-F408 HydrophobicContact CD2-CE2 3.27Å; Y405-F408 AromaticContact CD2-CZ 3.3Å; Y405-F408 HydrophobicContact CD2-CZ 3.3Å; Y405-F408 AromaticContact CE1-CZ 3.95Å; Y405-F408 HydrophobicContact CE1-CZ 3.95Å; Y405-F408 AromaticContact CE2-CE2 3.78Å; Y405-F408 HydrophobicContact CE2-CE2 3.78Å; Y405-F408 AromaticContact CE2-CZ 3.75Å; Y405-F408 HydrophobicContact CE2-CZ 3.75Å; Y405-F408 HydrophobicContact CG-CD1 4.39Å; Y405-F408 HydrophobicContact CG-CD2 4.36Å; Y405-F408 AromaticContact CG-CE1 3.61Å; Y405-F408 HydrophobicContact CG-CE1 3.61Å; Y405-F408 AromaticContact CG-CE2 3.58Å; Y405-F408 HydrophobicContact CG-CE2 3.58Å; Y405-F408 AromaticContact CG-CZ 3.13Å; Y405-F408 HydrophobicContact CG-CZ 3.13Å; F408-I410 HydrophobicContact CD2-CG1 4.1Å; F408-I410 HydrophobicContact CE2-CD1 4.04Å; F408-I410 HydrophobicContact CE2-CG1 3.79Å; F408-V419 HydrophobicContact CB-CG1 4.31Å; F408-V419 HydrophobicContact CD2-CG1 3.62Å; F408-V419 HydrophobicContact CE2-CG1 4.22Å; F408-V419 HydrophobicContact CG-CG1 4.14Å; F408-I420 CarbonylContact C-O 3.54Å; F408-I420 WeakPolarHBondContact CA-O 3.27Å; F408-I420 VanDerWaalsContact CB-O 3.27Å; F408-I420 WeakPolarHBondContact CB-O 3.36Å; F408-A443 HydrophobicContact CE1-CB 4.45Å; F408-A443 HydrophobicContact CE2-CB 3.56Å; F408-A443 HydrophobicContact CZ-CB 3.39Å; F408-V445 HydrophobicContact CD1-CB 3.73Å; F408-V445 HydrophobicContact CD1-CG2 3.54Å; F408-V445 HydrophobicContact CE1-CB 4.11Å; F408-V445 HydrophobicContact CE1-CG2 3.81Å; F408-V445 HydrophobicContact CG-CG2 4.02Å; F408-V445 HydrophobicContact CZ-CG2 4.47Å |
| 409 | C | 89.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.5 | 172.4 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | L379 F403 I420 Y422 | L379-C409 HydrophobicContact CD1-CB 3.82Å; F403-C409 HydrophobicContact CE1-CB 4.32Å; F403-C409 WeakPolarHBondContact CE1-SG 3.21Å; C409-I420 PolarHBondContact N-O 3.49Å; C409-I420 PolarHBondContact O-N 2.96Å; C409-Y422 HydrophobicContact CB-CE1 4.41Å |
| 410 | I | 90.7 | Very high | 85.8 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.8 | 166.9 | -60.8 | -178 | 0 | 0 | 0 | 109 | Y402 Y405 F408 F412 L417 Y418 V419 I441 A443 | Y402-I410 HydrophobicContact CD1-CD1 4.43Å; Y402-I410 PolarHBondContact N-O 3.33Å; Y402-I410 PolarHBondContact O-N 3.33Å; Y405-I410 HydrophobicContact CD2-CD1 4.17Å; Y405-I410 HydrophobicContact CD2-CG1 4.44Å; Y405-I410 HydrophobicContact CE2-CD1 3.66Å; Y405-I410 HydrophobicContact CE2-CG1 4.41Å; F408-I410 HydrophobicContact CD2-CG1 4.1Å; F408-I410 HydrophobicContact CE2-CD1 4.04Å; F408-I410 HydrophobicContact CE2-CG1 3.79Å; I410-F412 HydrophobicContact CG2-CD2 4.21Å; I410-F412 HydrophobicContact CG2-CE1 4.43Å; I410-F412 HydrophobicContact CG2-CE2 3.69Å; I410-F412 HydrophobicContact CG2-CZ 3.82Å; I410-L417 HydrophobicContact CG2-CD1 3.88Å; I410-L417 HydrophobicContact CG2-CD2 3.61Å; I410-L417 HydrophobicContact CG2-CG 3.46Å; I410-L417 VanDerWaalsContact CG2-CG 3.46Å; I410-Y418 CarbonylContact C-O 3.53Å; I410-Y418 WeakPolarHBondContact CA-O 3.09Å; I410-V419 HydrophobicContact CG1-CG2 4.44Å; I410-I441 HydrophobicContact CD1-CG2 4.25Å; I410-A443 HydrophobicContact CD1-CB 4.48Å |
| 411 | I | 90 | Very high | 86 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125 | 174.9 | -49.4 | 177 | 0 | 0 | 0 | 109 | L377 L379 W392 F401 L417 Y418 I420 | L377-I411 HydrophobicContact CD2-CD1 3.4Å; L377-I411 VanDerWaalsContact CD2-CD1 3.4Å; L379-I411 HydrophobicContact CD1-CD1 4.22Å; W392-I411 HydrophobicContact CH2-CB 4.19Å; W392-I411 HydrophobicContact CH2-CD1 3.91Å; W392-I411 HydrophobicContact CH2-CG2 3.81Å; W392-I411 HydrophobicContact CZ2-CD1 4.41Å; W392-I411 HydrophobicContact CZ2-CG2 3.91Å; W392-I411 HydrophobicContact CZ3-CD1 4.1Å; F401-I411 HydrophobicContact CD1-CD1 4.14Å; F401-I411 HydrophobicContact CD1-CG1 3.77Å; F401-I411 HydrophobicContact CD1-CG2 4.38Å; F401-I411 HydrophobicContact CE1-CD1 3.65Å; F401-I411 HydrophobicContact CE1-CG1 3.78Å; F401-I411 HydrophobicContact CE1-CG2 4.11Å; F401-I411 HydrophobicContact CZ-CG2 4.41Å; I411-L417 WeakPolarHBondContact O-CA 3.47Å; I411-Y418 PolarHBondContact N-O 3.14Å; I411-Y418 PolarHBondContact O-N 3.44Å; I411-I420 HydrophobicContact CD1-CD1 3.57Å |
| 412 | F | 88.3 | Confident | 86 | Confident | 19 Ų | 19 | 29.8 Ų | 29.8 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.4 | 170.7 | -60.3 | -89.3 | 0 | 0 | 0 | 109.8 | E399 R400 I410 L417 T436 I441 | E399-F412 WeakPolarHBondContact CA-O 3.43Å; R400-F412 HydrophobicContact CB-CB 4.34Å; R400-F412 PolarHBondContact N-O 3.29Å; R400-F412 PolarHBondContact O-N 2.91Å; I410-F412 HydrophobicContact CG2-CD2 4.21Å; I410-F412 HydrophobicContact CG2-CE1 4.43Å; I410-F412 HydrophobicContact CG2-CE2 3.69Å; I410-F412 HydrophobicContact CG2-CZ 3.82Å; F412-L417 HydrophobicContact CD1-CB 4.31Å; F412-L417 HydrophobicContact CD1-CD1 4.38Å; F412-L417 HydrophobicContact CD1-CG 4.31Å; F412-L417 HydrophobicContact CE1-CB 4.3Å; F412-L417 HydrophobicContact CE1-CD1 3.58Å; F412-L417 HydrophobicContact CE1-CG 3.96Å; F412-L417 HydrophobicContact CZ-CD1 3.96Å; F412-L417 HydrophobicContact CZ-CG 4.42Å; F412-T436 HydrophobicContact CB-CG2 4.44Å; F412-T436 HydrophobicContact CD1-CG2 3.89Å; F412-T436 HydrophobicContact CE1-CG2 4.37Å; F412-T436 HydrophobicContact CG-CG2 4.22Å; F412-I441 HydrophobicContact CE1-CD1 3.49Å; F412-I441 VanDerWaalsContact CE1-CD1 3.49Å; F412-I441 HydrophobicContact CZ-CD1 3.4Å; F412-I441 VanDerWaalsContact CZ-CD1 3.4Å |
| 413 | G | 79.8 | Confident | 85.9 | Confident | 9 Ų | 9 | 28 Ų | 28 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 138.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G415 E416 | G413-G415 PolarHBondContact O-N 3.5Å; G413-G415 VanDerWaalsContact O-N 3.16Å; G413-E416 PolarHBondContact N-O 3.29Å; G413-E416 PolarHBondContact O-N 3.11Å; G413-E416 VanDerWaalsContact O-O 3.12Å |
| 414 | S | 74.7 | Confident | 85.7 | Confident | 72 Ų | 72 | 28.9 Ų | 28.9 | 50% | 0.503 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 30 | 175.6 | -44.6 | 0 | 0 | 0 | 0 | 115.1 | N396 E416 | N396-S414 PolarHBondContact ND2-OG 2.99Å; S414-E416 VanDerWaalsContact C-N 3.3Å |
| 415 | G | 75.3 | Confident | 86.1 | Confident | 46 Ų | 46 | 29.6 Ų | 29.6 | 47% | 0.474 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G413 T433 | G413-G415 PolarHBondContact O-N 3.5Å; G413-G415 VanDerWaalsContact O-N 3.16Å; G415-T433 PolarHBondContact O-N 3.01Å |
| 416 | E | 85.8 | Confident | 86.1 | Confident | 54 Ų | 54 | 35.1 Ų | 35.1 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.5 | 177.1 | -65.9 | 176.5 | 156.7 | 0 | 0 | 110.3 | R394 G413 S414 Y418 | R394-E416 IonicContact NH1-OE2 3.94Å; R394-E416 PolarHBondContact NH1-OE2 2.83Å; G413-E416 PolarHBondContact N-O 3.29Å; G413-E416 PolarHBondContact O-N 3.11Å; G413-E416 VanDerWaalsContact O-O 3.12Å; S414-E416 VanDerWaalsContact C-N 3.3Å; E416-Y418 HydrophobicContact CB-CE2 3.81Å; E416-Y418 PolarHBondContact OE2-OH 3.47Å |
| 417 | L | 89.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.3 | 173 | -177.5 | 165 | 0 | 0 | 0 | 107.8 | I410 I411 F412 V419 S430 V431 T433 I441 I459 | I410-L417 HydrophobicContact CG2-CD1 3.88Å; I410-L417 HydrophobicContact CG2-CD2 3.61Å; I410-L417 HydrophobicContact CG2-CG 3.46Å; I410-L417 VanDerWaalsContact CG2-CG 3.46Å; I411-L417 WeakPolarHBondContact O-CA 3.47Å; F412-L417 HydrophobicContact CD1-CB 4.31Å; F412-L417 HydrophobicContact CD1-CD1 4.38Å; F412-L417 HydrophobicContact CD1-CG 4.31Å; F412-L417 HydrophobicContact CE1-CB 4.3Å; F412-L417 HydrophobicContact CE1-CD1 3.58Å; F412-L417 HydrophobicContact CE1-CG 3.96Å; F412-L417 HydrophobicContact CZ-CD1 3.96Å; F412-L417 HydrophobicContact CZ-CG 4.42Å; L417-V419 HydrophobicContact CD2-CG2 3.59Å; L417-S430 CarbonylContact O-C 3.56Å; L417-S430 VanDerWaalsContact O-CA 3.24Å; L417-S430 WeakPolarHBondContact O-CA 3.39Å; L417-V431 WeakPolarHBondContact CB-O 3.31Å; L417-V431 PolarHBondContact N-O 3.25Å; L417-V431 PolarHBondContact O-N 2.87Å; L417-T433 HydrophobicContact CB-CG2 3.98Å; L417-T433 HydrophobicContact CD1-CG2 4.04Å; L417-I441 HydrophobicContact CD1-CD1 3.53Å; L417-I441 HydrophobicContact CD1-CG1 4.2Å; L417-I441 HydrophobicContact CD1-CG2 3.95Å; L417-I459 HydrophobicContact CD1-CD1 4.17Å; L417-I459 HydrophobicContact CD2-CD1 3.73Å |
| 418 | Y | 90.1 | Very high | 86.4 | Confident | 19 Ų | 19 | 30.7 Ų | 30.7 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.4 | 176.5 | -56.2 | -88.3 | 0 | 0 | 0 | 110.4 | W392 R394 I410 I411 E416 I427 | W392-Y418 AromaticContact CH2-CD2 3.64Å; W392-Y418 HydrophobicContact CH2-CD2 3.64Å; W392-Y418 AromaticContact CH2-CE2 3.99Å; W392-Y418 HydrophobicContact CH2-CE2 3.99Å; W392-Y418 HydrophobicContact CH2-CG 4.03Å; W392-Y418 HydrophobicContact CZ3-CD1 4.48Å; W392-Y418 HydrophobicContact CZ3-CD2 4.18Å; W392-Y418 HydrophobicContact CZ3-CG 4.1Å; R394-Y418 PolarHBondContact NH1-OH 3.44Å; I410-Y418 CarbonylContact C-O 3.53Å; I410-Y418 WeakPolarHBondContact CA-O 3.09Å; I411-Y418 PolarHBondContact N-O 3.14Å; I411-Y418 PolarHBondContact O-N 3.44Å; E416-Y418 HydrophobicContact CB-CE2 3.81Å; E416-Y418 PolarHBondContact OE2-OH 3.47Å; Y418-I427 HydrophobicContact CD1-CG2 4.17Å |
| 419 | V | 91.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.5 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | F408 I410 L417 L428 G429 I459 F473 | F408-V419 HydrophobicContact CB-CG1 4.31Å; F408-V419 HydrophobicContact CD2-CG1 3.62Å; F408-V419 HydrophobicContact CE2-CG1 4.22Å; F408-V419 HydrophobicContact CG-CG1 4.14Å; I410-V419 HydrophobicContact CG1-CG2 4.44Å; L417-V419 HydrophobicContact CD2-CG2 3.59Å; V419-L428 HydrophobicContact CB-CB 4.49Å; V419-L428 HydrophobicContact CG1-CB 4.45Å; V419-L428 HydrophobicContact CG1-CD2 3.95Å; V419-L428 WeakPolarHBondContact O-CB 3.35Å; V419-L428 PolarHBondContact O-N 2.9Å; V419-G429 PolarHBondContact N-O 2.84Å; V419-I459 HydrophobicContact CG2-CD1 4.14Å; V419-F473 HydrophobicContact CB-CE2 4.21Å; V419-F473 HydrophobicContact CB-CZ 3.99Å; V419-F473 HydrophobicContact CG1-CE2 4.38Å; V419-F473 HydrophobicContact CG2-CE2 3.94Å; V419-F473 HydrophobicContact CG2-CZ 3.55Å |
| 420 | I | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 117.5 | 178.3 | -57.3 | 175.2 | 0 | 0 | 0 | 109 | L377 L379 V390 F408 C409 I411 I427 | L377-I420 HydrophobicContact CD2-CD1 4.46Å; L379-I420 HydrophobicContact CD1-CB 4.01Å; L379-I420 HydrophobicContact CD1-CD1 3.77Å; L379-I420 HydrophobicContact CD1-CG1 4.46Å; L379-I420 HydrophobicContact CD1-CG2 4.08Å; V390-I420 HydrophobicContact CB-CD1 4.49Å; V390-I420 HydrophobicContact CG1-CD1 4.17Å; V390-I420 HydrophobicContact CG1-CG1 4.48Å; V390-I420 HydrophobicContact CG1-CG2 3.99Å; V390-I420 HydrophobicContact CG2-CD1 3.63Å; F408-I420 CarbonylContact C-O 3.54Å; F408-I420 WeakPolarHBondContact CA-O 3.27Å; F408-I420 VanDerWaalsContact CB-O 3.27Å; F408-I420 WeakPolarHBondContact CB-O 3.36Å; C409-I420 PolarHBondContact N-O 3.49Å; C409-I420 PolarHBondContact O-N 2.96Å; I411-I420 HydrophobicContact CD1-CD1 3.57Å; I420-I427 HydrophobicContact CG1-CG1 4.48Å |
| 421 | E | 90.6 | Very high | 86 | Confident | 30 Ų | 30 | 34.7 Ų | 34.7 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134.9 | 174 | -174 | 176.1 | -174.3 | 0 | 0 | 110.2 | S388 V424 V445 K457 | S388-E421 PolarHBondContact OG-O 3.13Å; E421-V424 HydrophobicContact CB-CB 4.23Å; E421-V424 HydrophobicContact CB-CG2 4.01Å; E421-V424 HydrophobicContact CG-CG2 3.96Å; E421-V424 PolarHBondContact O-N 3.21Å; E421-V445 HydrophobicContact CG-CG1 4.14Å; E421-K457 WeakPolarHBondContact OE2-CE 3.37Å; E421-K457 IonicContact OE2-NZ 2.83Å; E421-K457 PolarHBondContact OE2-NZ 2.85Å |
| 422 | Y | 88.7 | Confident | 85.9 | Confident | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 136.5 | 176.4 | -62.5 | -65.6 | 0 | 0 | 0 | 110.3 | Y368 L379 D381 Q386 S388 F403 N406 K407 C409 V424 | Y368-Y422 HydrophobicContact CD1-CE1 4.08Å; Y368-Y422 AromaticContact CD1-CE2 3.93Å; Y368-Y422 HydrophobicContact CD1-CE2 3.93Å; Y368-Y422 AromaticContact CD1-CZ 3.43Å; Y368-Y422 VanDerWaalsContact CD1-CZ 3.43Å; Y368-Y422 WeakPolarHBondContact CD1-OH 3.22Å; Y368-Y422 HydrophobicContact CE1-CD2 4.49Å; Y368-Y422 AromaticContact CE1-CE2 3.55Å; Y368-Y422 HydrophobicContact CE1-CE2 3.55Å; Y368-Y422 AromaticContact CE1-CZ 3.58Å; Y368-Y422 WeakPolarHBondContact CE1-OH 3.44Å; L379-Y422 HydrophobicContact CB-CD1 4.48Å; L379-Y422 HydrophobicContact CB-CE1 4.16Å; D381-Y422 HydrophobicContact CB-CD2 4.39Å; D381-Y422 HydrophobicContact CB-CG 4.34Å; Q386-Y422 PolarHBondContact OE1-O 2.91Å; S388-Y422 WeakPolarHBondContact OG-CA 3.49Å; F403-Y422 WeakPolarHBondContact CD1-OH 3.2Å; N406-Y422 WeakPolarHBondContact O-CD2 3.42Å; K407-Y422 VanDerWaalsContact C-CD2 3.43Å; K407-Y422 WeakPolarHBondContact O-CD2 3.41Å; K407-Y422 PolarHBondContact O-N 2.9Å; C409-Y422 HydrophobicContact CB-CE1 4.41Å; Y422-V424 VanDerWaalsContact C-N 3.33Å |
| 423 | G | 84.3 | Confident | 85.8 | Confident | 39 Ų | 39 | 43.5 Ų | 43.5 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -13 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S388 | S388-G423 PolarHBondContact OG-N 2.82Š|
| 424 | V | 83.9 | Confident | 86 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 30% | 0.297 | 28% | 0.281 | S | S | . | . | trans | -102.3 | 121 | 178.3 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | S388 E421 Y422 E426 | S388-V424 WeakPolarHBondContact CB-O 3.3Å; S388-V424 PolarHBondContact OG-N 3.41Å; S388-V424 VanDerWaalsContact OG-N 3.15Å; S388-V424 PolarHBondContact OG-O 3.47Å; S388-V424 VanDerWaalsContact OG-O 3.09Å; E421-V424 HydrophobicContact CB-CB 4.23Å; E421-V424 HydrophobicContact CB-CG2 4.01Å; E421-V424 HydrophobicContact CG-CG2 3.96Å; E421-V424 PolarHBondContact O-N 3.21Å; Y422-V424 VanDerWaalsContact C-N 3.33Å; V424-E426 HydrophobicContact CG1-CB 4.29Å; V424-E426 PolarHBondContact O-N 2.89Å; V424-E426 VanDerWaalsContact O-N 3.12Å | ||
| 425 | N | 85.6 | Confident | 86.5 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 32% | 0.321 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -84.5 | 26.7 | -175.9 | -51.1 | -69.8 | 0 | 0 | 0 | 113.3 | K352 E389 | K352-N425 PolarHBondContact NZ-ND2 2.86Å; K352-N425 PolarHBondContact NZ-OD1 3.47Å; E389-N425 PolarHBondContact N-OD1 3.33Å; E389-N425 VanDerWaalsContact N-OD1 3.16Å; E389-N425 CarbonylContact O-C 3.51Å; E389-N425 WeakPolarHBondContact O-CA 3.4Å; E389-N425 VanDerWaalsContact O-CB 3.32Å; E389-N425 WeakPolarHBondContact O-CB 3.4Å; E389-N425 VanDerWaalsContact O-O 3.09Å |
| 426 | E | 84.4 | Confident | 86.9 | Confident | 144 Ų | 144 | 50.5 Ų | 50.5 | 67% | 0.673 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -136.1 | 150.7 | -178.9 | -65.8 | -176.9 | 173.4 | 0 | 0 | 109.1 | V424 L428 | V424-E426 HydrophobicContact CG1-CB 4.29Å; V424-E426 PolarHBondContact O-N 2.89Å; V424-E426 VanDerWaalsContact O-N 3.12Å; E426-L428 PolarHBondContact O-N 2.96Å |
| 427 | I | 85.5 | Confident | 86.8 | Confident | 62 Ų | 62 | 51 Ų | 51 | 32% | 0.318 | 27% | 0.268 | S | S | . | . | trans | -74 | 120.6 | 173.1 | -59.7 | 174.4 | 0 | 0 | 0 | 106.9 | V390 W392 Y418 I420 G429 | V390-I427 HydrophobicContact CB-CG1 3.97Å; V390-I427 HydrophobicContact CG1-CG1 4.13Å; V390-I427 HydrophobicContact CG2-CG1 4.28Å; W392-I427 HydrophobicContact CE3-CD1 4.35Å; W392-I427 HydrophobicContact CZ3-CD1 4.29Å; Y418-I427 HydrophobicContact CD1-CG2 4.17Å; I420-I427 HydrophobicContact CG1-CG1 4.48Å; I427-G429 PolarHBondContact O-N 3.12Å | ||
| 428 | L | 86.5 | Confident | 86.5 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | trans | -63 | -36.5 | -176.1 | -178.7 | 66.1 | 0 | 0 | 0 | 111.6 | V419 E426 V445 K457 F473 | V419-L428 HydrophobicContact CB-CB 4.49Å; V419-L428 HydrophobicContact CG1-CB 4.45Å; V419-L428 HydrophobicContact CG1-CD2 3.95Å; V419-L428 WeakPolarHBondContact O-CB 3.35Å; V419-L428 PolarHBondContact O-N 2.9Å; E426-L428 PolarHBondContact O-N 2.96Å; L428-V445 HydrophobicContact CD2-CG1 4.34Å; L428-V445 HydrophobicContact CD2-CG2 3.85Å; L428-K457 HydrophobicContact CD1-CD 3.42Å; L428-K457 VanDerWaalsContact CD1-CD 3.42Å; L428-K457 HydrophobicContact CD2-CB 4.32Å; L428-K457 HydrophobicContact CD2-CD 4Å; L428-K457 HydrophobicContact CG-CD 4.3Å; L428-F473 HydrophobicContact CD1-CB 4.25Å; L428-F473 HydrophobicContact CD2-CB 4.33Å; L428-F473 HydrophobicContact CD2-CD2 3.86Å; L428-F473 HydrophobicContact CD2-CE2 4.42Å; L428-F473 HydrophobicContact CD2-CG 4.2Å; L428-F473 HydrophobicContact CG-CB 3.91Å; L428-F473 HydrophobicContact CG-CD2 4.17Å; L428-F473 HydrophobicContact CG-CG 3.99Å | ||
| 429 | G | 85.1 | Confident | 86.4 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | 172.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V419 I427 | V419-G429 PolarHBondContact N-O 2.84Å; I427-G429 PolarHBondContact O-N 3.12Å |
| 430 | S | 88.2 | Confident | 86.4 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 43% | 0.434 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 142.8 | -180 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | L417 | L417-S430 CarbonylContact O-C 3.56Å; L417-S430 VanDerWaalsContact O-CA 3.24Å; L417-S430 WeakPolarHBondContact O-CA 3.39Å |
| 431 | V | 89.2 | Confident | 86.4 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.6 | 179.9 | 171.2 | 0 | 0 | 0 | 0 | 109 | L417 I459 Y461 F471 F473 | L417-V431 WeakPolarHBondContact CB-O 3.31Å; L417-V431 PolarHBondContact N-O 3.25Å; L417-V431 PolarHBondContact O-N 2.87Å; V431-I459 HydrophobicContact CG2-CG2 4.01Å; V431-Y461 HydrophobicContact CB-CE1 4.39Å; V431-Y461 HydrophobicContact CG1-CD1 3.64Å; V431-Y461 HydrophobicContact CG1-CD2 3.39Å; V431-Y461 HydrophobicContact CG1-CE1 3.39Å; V431-Y461 HydrophobicContact CG1-CE2 3.1Å; V431-Y461 HydrophobicContact CG1-CG 3.64Å; V431-Y461 HydrophobicContact CG2-CD1 4.44Å; V431-Y461 HydrophobicContact CG2-CE1 4.09Å; V431-F471 HydrophobicContact CG2-CB 4.5Å; V431-F471 HydrophobicContact CG2-CD1 4.44Å; V431-F471 HydrophobicContact CG2-CG 4.48Å; V431-F473 HydrophobicContact CG2-CE1 4.38Å |
| 432 | R | 87.5 | Confident | 86.5 | Confident | 194 Ų | 194 | 57.7 Ų | 57.7 | 73% | 0.732 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.9 | 175 | -171.7 | 173.5 | 178.9 | 157.8 | -2.6 | 109.9 | ||
| 433 | T | 86.1 | Confident | 86.6 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | trans | -153.5 | 141.4 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | G415 L417 F435 M462 | G415-T433 PolarHBondContact O-N 3.01Å; L417-T433 HydrophobicContact CB-CG2 3.98Å; L417-T433 HydrophobicContact CD1-CG2 4.04Å; T433-F435 PolarHBondContact OG1-N 3.31Å; T433-M462 PolarHBondContact OG1-O 3.26Å | ||
| 434 | E | 83.6 | Confident | 86.8 | Confident | 172 Ų | 172 | 56.4 Ų | 56.4 | 80% | 0.804 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -86.6 | -15.9 | 176.1 | -59.7 | -174.6 | 173.8 | 0 | 0 | 112 | T436 | E434-T436 PolarHBondContact O-N 3.27Š|
| 435 | F | 85.3 | Confident | 87 | Confident | 42 Ų | 42 | 54 Ų | 54 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | trans | -84.1 | 104.2 | -175.9 | -58.1 | -76.1 | 0 | 0 | 0 | 110.3 | T433 T437 L440 I441 M462 L465 | T433-F435 PolarHBondContact OG1-N 3.31Å; F435-T437 VanDerWaalsContact C-N 3.34Å; F435-L440 HydrophobicContact CB-CB 4.41Å; F435-L440 HydrophobicContact CB-CD1 4.23Å; F435-L440 HydrophobicContact CD1-CD1 3.95Å; F435-L440 HydrophobicContact CG-CD1 4.28Å; F435-I441 VanDerWaalsContact O-CD1 3.28Å; F435-I441 WeakPolarHBondContact O-CD1 3.25Å; F435-M462 HydrophobicContact CB-CB 4.45Å; F435-M462 HydrophobicContact CD2-CB 3.43Å; F435-M462 VanDerWaalsContact CD2-CB 3.43Å; F435-M462 WeakPolarHBondContact CD2-O 3.4Å; F435-M462 HydrophobicContact CE2-CB 3.83Å; F435-M462 HydrophobicContact CG-CB 3.99Å; F435-L465 HydrophobicContact CD1-CD2 3.98Å; F435-L465 HydrophobicContact CE1-CD1 4.48Å; F435-L465 HydrophobicContact CE1-CD2 3.33Å; F435-L465 HydrophobicContact CE1-CG 3.6Å; F435-L465 HydrophobicContact CZ-CD2 3.91Å; F435-L465 HydrophobicContact CZ-CG 3.78Å | ||
| 436 | T | 82.6 | Confident | 86.7 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | trans | -88.3 | -1.3 | 178.2 | 63 | 0 | 0 | 0 | 0 | 113.9 | F412 E434 | F412-T436 HydrophobicContact CB-CG2 4.44Å; F412-T436 HydrophobicContact CD1-CG2 3.89Å; F412-T436 HydrophobicContact CE1-CG2 4.37Å; F412-T436 HydrophobicContact CG-CG2 4.22Å; E434-T436 PolarHBondContact O-N 3.27Å | ||
| 437 | T | 85.2 | Confident | 86.3 | Confident | 65 Ų | 65 | 49.5 Ų | 49.5 | 40% | 0.399 | 25% | 0.249 | S | C | . | . | trans | -75.7 | 126.7 | -176.1 | -54.2 | 0 | 0 | 0 | 0 | 109.8 | F435 F439 L440 | F435-T437 VanDerWaalsContact C-N 3.34Å; T437-F439 HydrophobicContact CG2-CB 4.18Å; T437-F439 HydrophobicContact CG2-CD2 3.79Å; T437-F439 HydrophobicContact CG2-CG 4.44Å; T437-F439 PolarHBondContact O-N 3.09Å; T437-L440 PolarHBondContact O-N 2.83Å | ||
| 438 | P | 81.9 | Confident | 85.9 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 29% | 0.286 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -65.5 | -21.5 | -177.3 | 26.3 | -35.2 | 0 | 0 | 0 | 113.9 | Y402 L440 I441 | Y402-P438 HydrophobicContact CD2-CB 4.17Å; Y402-P438 HydrophobicContact CE1-CB 4.04Å; Y402-P438 HydrophobicContact CE2-CB 3.45Å; Y402-P438 VanDerWaalsContact CE2-CB 3.45Å; Y402-P438 HydrophobicContact CE2-CG 3.82Å; Y402-P438 WeakPolarHBondContact OH-CB 3.17Å; P438-L440 PolarHBondContact O-N 3.15Å; P438-I441 PolarHBondContact O-N 3.42Å |
| 439 | F | 88.1 | Confident | 85.1 | Confident | 126 Ų | 126 | 53.4 Ų | 53.4 | 55% | 0.553 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -71.4 | -16.2 | 174.2 | -57.6 | -63.9 | 0 | 0 | 0 | 113.6 | T437 W490 I491 | T437-F439 HydrophobicContact CG2-CB 4.18Å; T437-F439 HydrophobicContact CG2-CD2 3.79Å; T437-F439 HydrophobicContact CG2-CG 4.44Å; T437-F439 PolarHBondContact O-N 3.09Å; F439-W490 AromaticContact CD1-CD1 3.77Å; F439-W490 CarbonylContact O-C 3.52Å; F439-W490 VanDerWaalsContact O-CA 3.29Å; F439-W490 WeakPolarHBondContact O-CA 2.99Å; F439-I491 PolarHBondContact O-N 2.77Å |
| 440 | L | 91.5 | Very high | 84.2 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -104.1 | 11.1 | -179.1 | -66.3 | -178.6 | 0 | 0 | 0 | 112.2 | F435 T437 P438 M462 L465 D489 I491 | F435-L440 HydrophobicContact CB-CB 4.41Å; F435-L440 HydrophobicContact CB-CD1 4.23Å; F435-L440 HydrophobicContact CD1-CD1 3.95Å; F435-L440 HydrophobicContact CG-CD1 4.28Å; T437-L440 PolarHBondContact O-N 2.83Å; P438-L440 PolarHBondContact O-N 3.15Å; L440-M462 HydrophobicContact CB-CG 3.72Å; L440-M462 HydrophobicContact CD1-CG 4.42Å; L440-M462 HydrophobicContact CD2-CG 4.01Å; L440-M462 HydrophobicContact CD2-SD 4.45Å; L440-M462 HydrophobicContact CG-CG 4.26Å; L440-M462 WeakPolarHBondContact O-CG 3.4Å; L440-M462 PolarHBondContact O-N 2.74Å; L440-L465 HydrophobicContact CD1-CD2 4.26Å; L440-D489 WeakPolarHBondContact CD2-O 3.33Å; L440-I491 VanDerWaalsContact C-CD1 3.46Å; L440-I491 VanDerWaalsContact O-CD1 3.23Å; L440-I491 WeakPolarHBondContact O-CD1 3.43Å |
| 441 | I | 91.3 | Very high | 82.8 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 130.5 | -179.9 | -58.6 | 159.5 | 0 | 0 | 0 | 108.2 | Y405 I410 F412 L417 F435 P438 I459 A460 | Y405-I441 PolarHBondContact OH-O 2.8Å; I410-I441 HydrophobicContact CD1-CG2 4.25Å; F412-I441 HydrophobicContact CE1-CD1 3.49Å; F412-I441 VanDerWaalsContact CE1-CD1 3.49Å; F412-I441 HydrophobicContact CZ-CD1 3.4Å; F412-I441 VanDerWaalsContact CZ-CD1 3.4Å; L417-I441 HydrophobicContact CD1-CD1 3.53Å; L417-I441 HydrophobicContact CD1-CG1 4.2Å; L417-I441 HydrophobicContact CD1-CG2 3.95Å; F435-I441 VanDerWaalsContact O-CD1 3.28Å; F435-I441 WeakPolarHBondContact O-CD1 3.25Å; P438-I441 PolarHBondContact O-N 3.42Å; I441-I459 HydrophobicContact CG2-CD1 3.9Å; I441-I459 HydrophobicContact CG2-CG1 4.13Å; I441-A460 CarbonylContact C-O 3.56Å; I441-A460 WeakPolarHBondContact CA-O 3.42Å |
| 442 | S | 92.1 | Very high | 81.5 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 113.6 | 172.2 | 178 | 0 | 0 | 0 | 0 | 110.2 | R444 I459 A460 L493 | S442-R444 PolarHBondContact OG-NH1 2.96Å; S442-I459 CarbonylContact O-C 3.46Å; S442-I459 WeakPolarHBondContact O-CA 3.37Å; S442-A460 PolarHBondContact N-O 2.93Å; S442-A460 PolarHBondContact O-N 3.12Å; S442-L493 WeakPolarHBondContact O-CD1 3.35Å; S442-L493 PolarHBondContact OG-N 3.14Å |
| 443 | A | 90.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 147.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y405 F408 I410 K458 I459 | Y405-A443 WeakPolarHBondContact CE1-O 3.36Å; Y405-A443 PolarHBondContact OH-N 2.91Å; F408-A443 HydrophobicContact CE1-CB 4.45Å; F408-A443 HydrophobicContact CE2-CB 3.56Å; F408-A443 HydrophobicContact CZ-CB 3.39Å; I410-A443 HydrophobicContact CD1-CB 4.48Å; A443-K458 WeakPolarHBondContact CA-O 3.37Å; A443-I459 HydrophobicContact CB-CB 4.1Å; A443-I459 HydrophobicContact CB-CD1 4.17Å; A443-I459 HydrophobicContact CB-CG1 3.95Å |
| 444 | R | 89.1 | Confident | 79 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 124.2 | 177.7 | -63.7 | -67.7 | -176 | -103.1 | 9.6 | 109.3 | S442 E447 K457 K458 E492 L493 N494 | S442-R444 PolarHBondContact OG-NH1 2.96Å; R444-E447 WeakPolarHBondContact CD-OE2 3.39Å; R444-E447 IonicContact NE-OE2 3.56Å; R444-K457 CarbonylContact O-C 3.52Å; R444-K457 WeakPolarHBondContact O-CA 3.35Å; R444-K458 PolarHBondContact N-O 3.14Å; R444-K458 PolarHBondContact O-N 3.32Å; R444-E492 IonicContact NH2-OE1 2.66Å; R444-E492 PolarHBondContact NH2-OE1 3.33Å; R444-L493 HydrophobicContact CG-CB 3.84Å; R444-L493 HydrophobicContact CG-CD1 4.49Å; R444-L493 PolarHBondContact NE-O 3.45Å; R444-L493 PolarHBondContact NH2-O 3.36Å; R444-N494 WeakPolarHBondContact CG-O 3.42Å |
| 445 | V | 86.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 100.5 | -177.8 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | K407 F408 E421 L428 E447 C456 K457 | K407-V445 WeakPolarHBondContact CD-O 3.48Å; F408-V445 HydrophobicContact CD1-CB 3.73Å; F408-V445 HydrophobicContact CD1-CG2 3.54Å; F408-V445 HydrophobicContact CE1-CB 4.11Å; F408-V445 HydrophobicContact CE1-CG2 3.81Å; F408-V445 HydrophobicContact CG-CG2 4.02Å; F408-V445 HydrophobicContact CZ-CG2 4.47Å; E421-V445 HydrophobicContact CG-CG1 4.14Å; L428-V445 HydrophobicContact CD2-CG1 4.34Å; L428-V445 HydrophobicContact CD2-CG2 3.85Å; V445-E447 VanDerWaalsContact C-N 3.3Å; V445-E447 PolarHBondContact O-N 3Å; V445-C456 CarbonylContact C-O 3.4Å; V445-C456 WeakPolarHBondContact CA-O 3.35Å; V445-K457 HydrophobicContact CG1-CD 4.17Å; V445-K457 HydrophobicContact CG1-CG 4.11Å |
| 446 | N | 79.1 | Confident | 78.2 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 50.2 | 40.7 | 173 | -65.6 | -35.9 | 0 | 0 | 0 | 114.4 | K407 T455 C456 K457 | K407-N446 PolarHBondContact NZ-O 3.23Å; N446-T455 WeakPolarHBondContact OD1-CA 3.26Å; N446-T455 WeakPolarHBondContact OD1-CB 3.32Å; N446-C456 PolarHBondContact N-O 3.5Å; N446-C456 PolarHBondContact OD1-N 3.34Å; N446-C456 PolarHBondContact OD1-O 3.04Å; N446-K457 VanDerWaalsContact ND2-CE 3.29Å; N446-K457 WeakPolarHBondContact ND2-CE 3.45Å |
| 447 | E | 77.3 | Confident | 78.5 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -76.4 | -46.6 | -179.3 | -71.6 | 174.7 | 179.7 | 0 | 0 | 112 | K407 R444 V445 E495 | K407-E447 HydrophobicContact CD-CG 4.43Å; R444-E447 WeakPolarHBondContact CD-OE2 3.39Å; R444-E447 IonicContact NE-OE2 3.56Å; V445-E447 VanDerWaalsContact C-N 3.3Å; V445-E447 PolarHBondContact O-N 3Å; E447-E495 HydrophobicContact CB-CB 4.25Å; E447-E495 HydrophobicContact CB-CG 4.41Å |
| 448 | R | 77.1 | Confident | 78.8 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -129.4 | 144.8 | 176.6 | -174 | 169.6 | 167.5 | -133.8 | -10 | 111.2 | E495 T496 D536 T602 D606 | R448-E495 HydrophobicContact CB-CB 3.9Å; R448-T496 HydrophobicContact CB-CG2 4.46Å; R448-T496 HydrophobicContact CG-CG2 4.35Å; R448-D536 IonicContact CZ-OD2 3.24Å; R448-D536 IonicContact NH1-OD1 3.71Å; R448-D536 IonicContact NH1-OD2 2.71Å; R448-D536 PolarHBondContact NH1-OD2 3.39Å; R448-D536 IonicContact NH2-OD2 2.93Å; R448-T602 PolarHBondContact NH2-O 3.22Å; R448-D606 IonicContact CZ-OD1 2.77Å; R448-D606 IonicContact CZ-OD2 3.8Å; R448-D606 VanDerWaalsContact NE-CG 3.28Å; R448-D606 IonicContact NE-OD1 3.54Å; R448-D606 PolarHBondContact NE-OD1 3.4Å; R448-D606 IonicContact NE-OD2 2.79Å; R448-D606 PolarHBondContact NE-OD2 2.98Å; R448-D606 IonicContact NH2-OD1 2.76Å; R448-D606 PolarHBondContact NH2-OD1 3.23Å; R448-D606 IonicContact NH2-OD2 3.62Å; R448-D606 PolarHBondContact NH2-OD2 3.36Å |
| 449 | K | 68.7 | Low | 79.3 | Confident | 156 Ų | 156 | 52.8 Ų | 52.8 | 68% | 0.678 | 26% | 0.258 | S | S | * | . | trans | -93.7 | 124.8 | 179.7 | -67 | -177.7 | -178.7 | 178.5 | 0 | 109.7 | ||||
| 450 | S | 66.2 | Low | 79.6 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | trans | -84.7 | 163 | 174.5 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | N452 N453 | S450-N452 PolarHBondContact O-N 3.22Å; S450-N453 PolarHBondContact O-N 2.94Å | ||
| 451 | S | 60.5 | Low | 79.7 | Confident | 69 Ų | 69 | 46.7 Ų | 46.7 | 48% | 0.483 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | -25.2 | -178.2 | 62 | 0 | 0 | 0 | 0 | 116.3 | D606 | S451-D606 WeakPolarHBondContact CA-O 3.44Å; S451-D606 PolarHBondContact N-O 2.89Å |
| 452 | N | 60.5 | Low | 79.8 | Confident | 107 Ų | 107 | 46.6 Ų | 46.6 | 57% | 0.572 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 8.8 | 179.1 | -76.1 | -36 | 0 | 0 | 0 | 115.3 | S450 R454 | S450-N452 PolarHBondContact O-N 3.22Å; N452-R454 HydrophobicContact CB-CG 3.85Å; N452-R454 PolarHBondContact O-N 3.3Å |
| 453 | N | 60.2 | Low | 79.6 | Confident | 131 Ų | 131 | 50.3 Ų | 50.3 | 70% | 0.701 | 25% | 0.25 | S | C | * | . | trans | 52.5 | 23.2 | -173.6 | -93.1 | -30.8 | 0 | 0 | 0 | 113.6 | S450 | S450-N453 PolarHBondContact O-N 2.94Š| ||
| 454 | R | 62.2 | Low | 79.6 | Confident | 180 Ų | 180 | 53.7 Ų | 53.7 | 68% | 0.679 | 27% | 0.268 | S | S | * | . | trans | -77.1 | 131.7 | -179.7 | -71.1 | -179 | -179.2 | 179.8 | 0.6 | 109.6 | N452 C456 | N452-R454 HydrophobicContact CB-CG 3.85Å; N452-R454 PolarHBondContact O-N 3.3Å; R454-C456 PolarHBondContact O-N 3.33Å | ||
| 455 | T | 72.4 | Confident | 79.7 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | trans | -66.3 | 121.8 | 170.6 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | N446 | N446-T455 WeakPolarHBondContact OD1-CA 3.26Å; N446-T455 WeakPolarHBondContact OD1-CB 3.32Å | ||
| 456 | C | 78.9 | Confident | 80 | Confident | 13 Ų | 13 | 60 Ų | 60 | 9% | 0.088 | 30% | 0.298 | C | S | . | . | trans | -95.9 | 113.2 | 175.9 | -179 | 0 | 0 | 0 | 0 | 109.6 | V445 N446 R454 T496 | V445-C456 CarbonylContact C-O 3.4Å; V445-C456 WeakPolarHBondContact CA-O 3.35Å; N446-C456 PolarHBondContact N-O 3.5Å; N446-C456 PolarHBondContact OD1-N 3.34Å; N446-C456 PolarHBondContact OD1-O 3.04Å; R454-C456 PolarHBondContact O-N 3.33Å; C456-T496 VanDerWaalsContact SG-C 3.58Å; C456-T496 PolarHBondContact SG-O 3.07Å | ||
| 457 | K | 89.1 | Confident | 80.7 | Confident | 36 Ų | 36 | 59 Ų | 59 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 81.3 | 172 | -53.7 | -166.1 | -178.3 | -169.9 | 0 | 109.3 | E421 L428 R444 V445 N446 F473 V474 | E421-K457 WeakPolarHBondContact OE2-CE 3.37Å; E421-K457 IonicContact OE2-NZ 2.83Å; E421-K457 PolarHBondContact OE2-NZ 2.85Å; L428-K457 HydrophobicContact CD1-CD 3.42Å; L428-K457 VanDerWaalsContact CD1-CD 3.42Å; L428-K457 HydrophobicContact CD2-CB 4.32Å; L428-K457 HydrophobicContact CD2-CD 4Å; L428-K457 HydrophobicContact CG-CD 4.3Å; R444-K457 CarbonylContact O-C 3.52Å; R444-K457 WeakPolarHBondContact O-CA 3.35Å; V445-K457 HydrophobicContact CG1-CD 4.17Å; V445-K457 HydrophobicContact CG1-CG 4.11Å; N446-K457 VanDerWaalsContact ND2-CE 3.29Å; N446-K457 WeakPolarHBondContact ND2-CE 3.45Å; K457-F473 HydrophobicContact CB-CB 4.05Å; K457-F473 HydrophobicContact CB-CD2 4.44Å; K457-F473 WeakPolarHBondContact O-CB 3.47Å; K457-F473 WeakPolarHBondContact O-CD2 3.45Å; K457-F473 PolarHBondContact O-N 2.87Å; K457-V474 HydrophobicContact CB-CG2 3.78Å; K457-V474 HydrophobicContact CD-CG2 4.34Å; K457-V474 HydrophobicContact CG-CG2 3.91Å |
| 458 | K | 90.8 | Very high | 81.5 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151.9 | -175.1 | -62.2 | -176.2 | -174.1 | 174.5 | 0 | 112 | A443 R444 F471 D472 L493 G497 | A443-K458 WeakPolarHBondContact CA-O 3.37Å; R444-K458 PolarHBondContact N-O 3.14Å; R444-K458 PolarHBondContact O-N 3.32Å; K458-F471 CarbonylContact C-O 2.88Å; K458-F471 VanDerWaalsContact CA-O 3.28Å; K458-F471 WeakPolarHBondContact CA-O 3.43Å; K458-D472 WeakPolarHBondContact CE-OD2 3.01Å; K458-D472 HydrophobicContact CG-CB 3.96Å; K458-L493 HydrophobicContact CB-CD1 4.43Å; K458-G497 WeakPolarHBondContact CD-O 3.49Å; K458-G497 PolarHBondContact NZ-O 3.35Å |
| 459 | I | 93.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.6 | 173.2 | -174.8 | 167.2 | 0 | 0 | 0 | 110.3 | L417 V419 V431 I441 S442 A443 Y461 I470 F471 F473 | L417-I459 HydrophobicContact CD1-CD1 4.17Å; L417-I459 HydrophobicContact CD2-CD1 3.73Å; V419-I459 HydrophobicContact CG2-CD1 4.14Å; V431-I459 HydrophobicContact CG2-CG2 4.01Å; I441-I459 HydrophobicContact CG2-CD1 3.9Å; I441-I459 HydrophobicContact CG2-CG1 4.13Å; S442-I459 CarbonylContact O-C 3.46Å; S442-I459 WeakPolarHBondContact O-CA 3.37Å; A443-I459 HydrophobicContact CB-CB 4.1Å; A443-I459 HydrophobicContact CB-CD1 4.17Å; A443-I459 HydrophobicContact CB-CG1 3.95Å; I459-Y461 HydrophobicContact CG1-CD1 4.42Å; I459-Y461 HydrophobicContact CG2-CD1 4.27Å; I459-I470 CarbonylContact O-C 3.56Å; I459-I470 VanDerWaalsContact O-CA 3.3Å; I459-I470 WeakPolarHBondContact O-CA 3.4Å; I459-F471 HydrophobicContact CG2-CB 3.82Å; I459-F471 HydrophobicContact CG2-CD1 4.47Å; I459-F471 PolarHBondContact N-O 3.21Å; I459-F471 PolarHBondContact O-N 2.89Å; I459-F473 HydrophobicContact CB-CE2 3.72Å; I459-F473 HydrophobicContact CB-CZ 3.9Å; I459-F473 HydrophobicContact CD1-CZ 4.33Å; I459-F473 HydrophobicContact CG2-CD2 4.48Å; I459-F473 HydrophobicContact CG2-CE1 4.13Å; I459-F473 HydrophobicContact CG2-CE2 3.57Å; I459-F473 HydrophobicContact CG2-CZ 3.35Å |
| 460 | A | 94 | Very high | 83.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 132.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | I441 S442 V468 A469 I470 I491 L493 L500 | I441-A460 CarbonylContact C-O 3.56Å; I441-A460 WeakPolarHBondContact CA-O 3.42Å; S442-A460 PolarHBondContact N-O 2.93Å; S442-A460 PolarHBondContact O-N 3.12Å; A460-V468 HydrophobicContact CB-CG1 4.08Å; A460-A469 CarbonylContact C-O 3.57Å; A460-A469 VanDerWaalsContact CA-O 3.28Å; A460-A469 WeakPolarHBondContact CA-O 3.24Å; A460-I470 HydrophobicContact CB-CG1 4.16Å; A460-I491 HydrophobicContact CB-CD1 4.1Å; A460-L493 HydrophobicContact CB-CD1 3.87Å; A460-L493 HydrophobicContact CB-CD2 4.18Å; A460-L493 HydrophobicContact CB-CG 3.83Å; A460-L500 HydrophobicContact CB-CD1 3.87Å |
| 461 | Y | 93.5 | Very high | 84.7 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 155.6 | -178.5 | 64.2 | -80.1 | 0 | 0 | 0 | 110.3 | V431 I459 L463 A469 F471 | V431-Y461 HydrophobicContact CB-CE1 4.39Å; V431-Y461 HydrophobicContact CG1-CD1 3.64Å; V431-Y461 HydrophobicContact CG1-CD2 3.39Å; V431-Y461 HydrophobicContact CG1-CE1 3.39Å; V431-Y461 HydrophobicContact CG1-CE2 3.1Å; V431-Y461 HydrophobicContact CG1-CG 3.64Å; V431-Y461 HydrophobicContact CG2-CD1 4.44Å; V431-Y461 HydrophobicContact CG2-CE1 4.09Å; I459-Y461 HydrophobicContact CG1-CD1 4.42Å; I459-Y461 HydrophobicContact CG2-CD1 4.27Å; Y461-L463 HydrophobicContact CE2-CD2 3.69Å; Y461-L463 HydrophobicContact CE2-CG 4.2Å; Y461-A469 HydrophobicContact CD1-CB 4.34Å; Y461-A469 VanDerWaalsContact CD1-O 3.31Å; Y461-A469 WeakPolarHBondContact CD1-O 3.35Å; Y461-A469 HydrophobicContact CE1-CB 3.71Å; Y461-A469 HydrophobicContact CE2-CB 3.93Å; Y461-A469 VanDerWaalsContact CZ-CB 3.48Å; Y461-A469 PolarHBondContact N-O 2.74Å; Y461-A469 PolarHBondContact O-N 3.3Å; Y461-F471 HydrophobicContact CE1-CB 4.04Å |
| 462 | M | 92.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.3 | 177 | -59.4 | -55.2 | -57.8 | 0 | 0 | 111 | T433 F435 L440 D464 V468 I488 I491 | T433-M462 PolarHBondContact OG1-O 3.26Å; F435-M462 HydrophobicContact CB-CB 4.45Å; F435-M462 HydrophobicContact CD2-CB 3.43Å; F435-M462 VanDerWaalsContact CD2-CB 3.43Å; F435-M462 WeakPolarHBondContact CD2-O 3.4Å; F435-M462 HydrophobicContact CE2-CB 3.83Å; F435-M462 HydrophobicContact CG-CB 3.99Å; L440-M462 HydrophobicContact CB-CG 3.72Å; L440-M462 HydrophobicContact CD1-CG 4.42Å; L440-M462 HydrophobicContact CD2-CG 4.01Å; L440-M462 HydrophobicContact CD2-SD 4.45Å; L440-M462 HydrophobicContact CG-CG 4.26Å; L440-M462 WeakPolarHBondContact O-CG 3.4Å; L440-M462 PolarHBondContact O-N 2.74Å; M462-D464 WeakPolarHBondContact CE-O 3.26Å; M462-V468 HydrophobicContact CE-CG2 4.22Å; M462-V468 HydrophobicContact SD-CB 4.42Å; M462-V468 HydrophobicContact SD-CG2 3.75Å; M462-I488 HydrophobicContact CE-CB 3.83Å; M462-I488 HydrophobicContact CE-CD1 4.06Å; M462-I488 HydrophobicContact CE-CG1 4.29Å; M462-I488 HydrophobicContact CE-CG2 4.39Å; M462-I488 HydrophobicContact SD-CB 4.26Å; M462-I488 HydrophobicContact SD-CG2 4.17Å; M462-I491 HydrophobicContact SD-CD1 4.42Å; M462-I491 HydrophobicContact SD-CG2 4.08Å |
| 463 | L | 88.6 | Confident | 87.4 | Confident | 81 Ų | 81 | 42.3 Ų | 42.3 | 42% | 0.424 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -43.7 | 165.5 | -74.7 | 173.4 | 0 | 0 | 0 | 110.7 | Y461 T467 A469 | Y461-L463 HydrophobicContact CE2-CD2 3.69Å; Y461-L463 HydrophobicContact CE2-CG 4.2Å; L463-T467 HydrophobicContact CD1-CG2 4.3Å; L463-T467 PolarHBondContact N-O 3.31Å; L463-A469 HydrophobicContact CD1-CB 3.73Å; L463-A469 HydrophobicContact CD2-CB 4.34Å; L463-A469 HydrophobicContact CG-CB 3.71Å |
| 464 | D | 89.8 | Confident | 88.6 | Confident | 70 Ų | 70 | 39.8 Ų | 39.8 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 179.1 | 170.6 | 63 | 55.5 | 0 | 0 | 0 | 107.8 | M462 K466 T467 | M462-D464 WeakPolarHBondContact CE-O 3.26Å; D464-K466 PolarHBondContact O-N 3.29Å; D464-K466 VanDerWaalsContact O-N 3.1Å; D464-K466 VanDerWaalsContact OD1-CA 3.25Å; D464-K466 WeakPolarHBondContact OD1-CA 3.42Å; D464-K466 WeakPolarHBondContact OD1-CB 3.2Å; D464-K466 PolarHBondContact OD1-N 3.2Å; D464-T467 PolarHBondContact O-N 3.33Å; D464-T467 WeakPolarHBondContact OD1-CB 3.23Å; D464-T467 PolarHBondContact OD1-N 3.27Å; D464-T467 PolarHBondContact OD1-OG1 3.34Å; D464-T467 VanDerWaalsContact OD1-OG1 3.13Å; D464-T467 WeakPolarHBondContact OD2-CB 3.46Å; D464-T467 PolarHBondContact OD2-OG1 3.3Å |
| 465 | L | 91.4 | Very high | 89.6 | Confident | 55 Ų | 55 | 35 Ų | 35 | 29% | 0.288 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -5.8 | -177.9 | -74 | 174.3 | 0 | 0 | 0 | 114.8 | F435 L440 K487 I488 | F435-L465 HydrophobicContact CD1-CD2 3.98Å; F435-L465 HydrophobicContact CE1-CD1 4.48Å; F435-L465 HydrophobicContact CE1-CD2 3.33Å; F435-L465 HydrophobicContact CE1-CG 3.6Å; F435-L465 HydrophobicContact CZ-CD2 3.91Å; F435-L465 HydrophobicContact CZ-CG 3.78Å; L440-L465 HydrophobicContact CD1-CD2 4.26Å; L465-K487 HydrophobicContact CB-CB 4.19Å; L465-K487 HydrophobicContact CB-CD 4.29Å; L465-K487 HydrophobicContact CB-CG 3.94Å; L465-K487 HydrophobicContact CD1-CD 3.95Å; L465-K487 CarbonylContact O-C 3.45Å; L465-K487 WeakPolarHBondContact O-CA 3.49Å; L465-I488 PolarHBondContact O-N 2.64Å |
| 466 | K | 93.3 | Very high | 90 | Very high | 95 Ų | 95 | 32.9 Ų | 32.9 | 41% | 0.413 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -13.7 | -177 | -69.3 | -168.3 | -178 | -163.7 | 0 | 113.4 | D464 H484 D485 K487 | D464-K466 PolarHBondContact O-N 3.29Å; D464-K466 VanDerWaalsContact O-N 3.1Å; D464-K466 VanDerWaalsContact OD1-CA 3.25Å; D464-K466 WeakPolarHBondContact OD1-CA 3.42Å; D464-K466 WeakPolarHBondContact OD1-CB 3.2Å; D464-K466 PolarHBondContact OD1-N 3.2Å; K466-H484 VanDerWaalsContact CB-O 3.31Å; K466-H484 WeakPolarHBondContact CB-O 3.41Å; K466-H484 PolarHBondContact O-N 3.16Å; K466-D485 VanDerWaalsContact CE-O 3.22Å; K466-D485 WeakPolarHBondContact CE-O 3.39Å; K466-D485 PolarHBondContact NZ-O 3.04Å; K466-K487 HydrophobicContact CG-CG 4.47Å |
| 467 | T | 93 | Very high | 90.3 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 18% | 0.184 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 115.9 | -172.6 | -48.3 | 0 | 0 | 0 | 0 | 111.2 | L463 D464 V482 | L463-T467 HydrophobicContact CD1-CG2 4.3Å; L463-T467 PolarHBondContact N-O 3.31Å; D464-T467 PolarHBondContact O-N 3.33Å; D464-T467 WeakPolarHBondContact OD1-CB 3.23Å; D464-T467 PolarHBondContact OD1-N 3.27Å; D464-T467 PolarHBondContact OD1-OG1 3.34Å; D464-T467 VanDerWaalsContact OD1-OG1 3.13Å; D464-T467 WeakPolarHBondContact OD2-CB 3.46Å; D464-T467 PolarHBondContact OD2-OG1 3.3Å; T467-V482 WeakPolarHBondContact CA-O 3.38Å |
| 468 | V | 94.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.3 | 171.2 | -163.3 | 0 | 0 | 0 | 0 | 109.3 | A460 M462 H481 V482 I488 I491 L500 | A460-V468 HydrophobicContact CB-CG1 4.08Å; M462-V468 HydrophobicContact CE-CG2 4.22Å; M462-V468 HydrophobicContact SD-CB 4.42Å; M462-V468 HydrophobicContact SD-CG2 3.75Å; V468-H481 CarbonylContact O-C 3.53Å; V468-H481 WeakPolarHBondContact O-CA 3.27Å; V468-V482 HydrophobicContact CB-CB 4.11Å; V468-V482 HydrophobicContact CG2-CB 4.44Å; V468-V482 PolarHBondContact N-O 3.18Å; V468-V482 PolarHBondContact O-N 3.28Å; V468-I488 HydrophobicContact CG2-CD1 3.46Å; V468-I488 VanDerWaalsContact CG2-CD1 3.46Å; V468-I491 HydrophobicContact CG1-CD1 3.94Å; V468-I491 HydrophobicContact CG2-CG2 4.18Å; V468-L500 HydrophobicContact CB-CD2 4.38Å; V468-L500 HydrophobicContact CG1-CD2 4.02Å |
| 469 | A | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A460 Y461 L463 | A460-A469 CarbonylContact C-O 3.57Å; A460-A469 VanDerWaalsContact CA-O 3.28Å; A460-A469 WeakPolarHBondContact CA-O 3.24Å; Y461-A469 HydrophobicContact CD1-CB 4.34Å; Y461-A469 VanDerWaalsContact CD1-O 3.31Å; Y461-A469 WeakPolarHBondContact CD1-O 3.35Å; Y461-A469 HydrophobicContact CE1-CB 3.71Å; Y461-A469 HydrophobicContact CE2-CB 3.93Å; Y461-A469 VanDerWaalsContact CZ-CB 3.48Å; Y461-A469 PolarHBondContact N-O 2.74Å; Y461-A469 PolarHBondContact O-N 3.3Å; L463-A469 HydrophobicContact CD1-CB 3.73Å; L463-A469 HydrophobicContact CD2-CB 4.34Å; L463-A469 HydrophobicContact CG-CB 3.71Å |
| 470 | I | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.2 | 176.5 | -51.5 | -179.2 | 0 | 0 | 0 | 108.2 | I459 A460 N478 V479 A480 V482 L500 F512 I514 | I459-I470 CarbonylContact O-C 3.56Å; I459-I470 VanDerWaalsContact O-CA 3.3Å; I459-I470 WeakPolarHBondContact O-CA 3.4Å; A460-I470 HydrophobicContact CB-CG1 4.16Å; I470-N478 CarbonylContact O-C 3.38Å; I470-N478 WeakPolarHBondContact O-CA 3.36Å; I470-V479 PolarHBondContact O-N 3.3Å; I470-A480 HydrophobicContact CB-CB 4.43Å; I470-A480 HydrophobicContact CD1-CB 4.19Å; I470-A480 HydrophobicContact CG1-CB 4.48Å; I470-A480 PolarHBondContact N-O 2.9Å; I470-A480 PolarHBondContact O-N 3.3Å; I470-V482 HydrophobicContact CD1-CG2 4.48Å; I470-L500 HydrophobicContact CD1-CB 4.39Å; I470-L500 HydrophobicContact CD1-CD2 3.96Å; I470-L500 HydrophobicContact CG1-CD2 4.48Å; I470-F512 HydrophobicContact CD1-CD1 4.34Å; I470-F512 HydrophobicContact CD1-CE1 4.26Å; I470-I514 HydrophobicContact CD1-CD1 3.66Å; I470-I514 HydrophobicContact CD1-CG1 3.7Å; I470-I514 HydrophobicContact CG2-CD1 4.35Å |
| 471 | F | 92.2 | Very high | 89.5 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 17% | 0.167 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.1 | -179.5 | -173 | -94 | 0 | 0 | 0 | 110.7 | V431 K458 I459 Y461 F473 G476 N478 | V431-F471 HydrophobicContact CG2-CB 4.5Å; V431-F471 HydrophobicContact CG2-CD1 4.44Å; V431-F471 HydrophobicContact CG2-CG 4.48Å; K458-F471 CarbonylContact C-O 2.88Å; K458-F471 VanDerWaalsContact CA-O 3.28Å; K458-F471 WeakPolarHBondContact CA-O 3.43Å; I459-F471 HydrophobicContact CG2-CB 3.82Å; I459-F471 HydrophobicContact CG2-CD1 4.47Å; I459-F471 PolarHBondContact N-O 3.21Å; I459-F471 PolarHBondContact O-N 2.89Å; Y461-F471 HydrophobicContact CE1-CB 4.04Å; F471-F473 AromaticContact CD1-CD1 3.69Å; F471-F473 HydrophobicContact CD1-CD1 3.69Å; F471-F473 AromaticContact CD1-CE1 3.82Å; F471-F473 HydrophobicContact CD1-CE1 3.82Å; F471-F473 HydrophobicContact CD1-CG 4.32Å; F471-F473 AromaticContact CE1-CD1 3.64Å; F471-F473 HydrophobicContact CE1-CD1 3.64Å; F471-F473 HydrophobicContact CE1-CE1 4.03Å; F471-F473 HydrophobicContact CE1-CG 4.45Å; F471-G476 WeakPolarHBondContact CE2-O 3.47Å; F471-G476 VanDerWaalsContact CZ-C 3.41Å; F471-G476 WeakPolarHBondContact CZ-O 3.49Å; F471-N478 WeakPolarHBondContact CD2-OD1 3.44Å |
| 472 | D | 90.3 | Very high | 89.4 | Confident | 20 Ų | 20 | 42.5 Ų | 42.5 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 115.5 | 174.2 | -174.5 | -17.5 | 0 | 0 | 0 | 109.6 | K458 V474 T475 G476 S477 V479 | K458-D472 WeakPolarHBondContact CE-OD2 3.01Å; K458-D472 HydrophobicContact CG-CB 3.96Å; D472-V474 PolarHBondContact O-N 3.1Å; D472-V474 WeakPolarHBondContact OD1-CB 3.33Å; D472-V474 PolarHBondContact OD1-N 2.9Å; D472-T475 WeakPolarHBondContact CB-OG1 3.43Å; D472-G476 VanDerWaalsContact O-CA 3.31Å; D472-G476 WeakPolarHBondContact O-CA 3.47Å; D472-G476 PolarHBondContact O-N 3.47Å; D472-S477 PolarHBondContact N-O 3.39Å; D472-S477 PolarHBondContact O-N 3.47Å; D472-V479 HydrophobicContact CB-CG2 3.46Å; D472-V479 VanDerWaalsContact CB-CG2 3.46Å |
| 473 | F | 88.2 | Confident | 89.3 | Confident | 20 Ų | 20 | 46 Ų | 46 | 9% | 0.088 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20.2 | 179.7 | -64.5 | -63.5 | 0 | 0 | 0 | 112.8 | V419 L428 V431 K457 I459 F471 | V419-F473 HydrophobicContact CB-CE2 4.21Å; V419-F473 HydrophobicContact CB-CZ 3.99Å; V419-F473 HydrophobicContact CG1-CE2 4.38Å; V419-F473 HydrophobicContact CG2-CE2 3.94Å; V419-F473 HydrophobicContact CG2-CZ 3.55Å; L428-F473 HydrophobicContact CD1-CB 4.25Å; L428-F473 HydrophobicContact CD2-CB 4.33Å; L428-F473 HydrophobicContact CD2-CD2 3.86Å; L428-F473 HydrophobicContact CD2-CE2 4.42Å; L428-F473 HydrophobicContact CD2-CG 4.2Å; L428-F473 HydrophobicContact CG-CB 3.91Å; L428-F473 HydrophobicContact CG-CD2 4.17Å; L428-F473 HydrophobicContact CG-CG 3.99Å; V431-F473 HydrophobicContact CG2-CE1 4.38Å; K457-F473 HydrophobicContact CB-CB 4.05Å; K457-F473 HydrophobicContact CB-CD2 4.44Å; K457-F473 WeakPolarHBondContact O-CB 3.47Å; K457-F473 WeakPolarHBondContact O-CD2 3.45Å; K457-F473 PolarHBondContact O-N 2.87Å; I459-F473 HydrophobicContact CB-CE2 3.72Å; I459-F473 HydrophobicContact CB-CZ 3.9Å; I459-F473 HydrophobicContact CD1-CZ 4.33Å; I459-F473 HydrophobicContact CG2-CD2 4.48Å; I459-F473 HydrophobicContact CG2-CE1 4.13Å; I459-F473 HydrophobicContact CG2-CE2 3.57Å; I459-F473 HydrophobicContact CG2-CZ 3.35Å; F471-F473 AromaticContact CD1-CD1 3.69Å; F471-F473 HydrophobicContact CD1-CD1 3.69Å; F471-F473 AromaticContact CD1-CE1 3.82Å; F471-F473 HydrophobicContact CD1-CE1 3.82Å; F471-F473 HydrophobicContact CD1-CG 4.32Å; F471-F473 AromaticContact CE1-CD1 3.64Å; F471-F473 HydrophobicContact CE1-CD1 3.64Å; F471-F473 HydrophobicContact CE1-CE1 4.03Å; F471-F473 HydrophobicContact CE1-CG 4.45Å |
| 474 | V | 84.8 | Confident | 89.5 | Confident | 79 Ų | 79 | 43.7 Ų | 43.7 | 48% | 0.479 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -45.5 | 177.5 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | K457 D472 | K457-V474 HydrophobicContact CB-CG2 3.78Å; K457-V474 HydrophobicContact CD-CG2 4.34Å; K457-V474 HydrophobicContact CG-CG2 3.91Å; D472-V474 PolarHBondContact O-N 3.1Å; D472-V474 WeakPolarHBondContact OD1-CB 3.33Å; D472-V474 PolarHBondContact OD1-N 2.9Å |
| 475 | T | 82.9 | Confident | 89.4 | Confident | 80 Ų | 80 | 47.1 Ų | 47.1 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -20.3 | 178.1 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | D472 S477 | D472-T475 WeakPolarHBondContact CB-OG1 3.43Å; T475-S477 VanDerWaalsContact C-N 3.28Å; T475-S477 PolarHBondContact OG1-N 3.1Å; T475-S477 PolarHBondContact OG1-OG 2.98Å |
| 476 | G | 81.3 | Confident | 89.3 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 24 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F471 D472 | F471-G476 WeakPolarHBondContact CE2-O 3.47Å; F471-G476 VanDerWaalsContact CZ-C 3.41Å; F471-G476 WeakPolarHBondContact CZ-O 3.49Å; D472-G476 VanDerWaalsContact O-CA 3.31Å; D472-G476 WeakPolarHBondContact O-CA 3.47Å; D472-G476 PolarHBondContact O-N 3.47Å |
| 477 | S | 83.9 | Confident | 89.3 | Confident | 38 Ų | 38 | 48.6 Ų | 48.6 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150.3 | -175.9 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | D472 T475 V479 | D472-S477 PolarHBondContact N-O 3.39Å; D472-S477 PolarHBondContact O-N 3.47Å; T475-S477 VanDerWaalsContact C-N 3.28Å; T475-S477 PolarHBondContact OG1-N 3.1Å; T475-S477 PolarHBondContact OG1-OG 2.98Å; S477-V479 PolarHBondContact O-N 3.41Å |
| 478 | N | 85.5 | Confident | 89.4 | Confident | 69 Ų | 69 | 47.2 Ų | 47.2 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 120.5 | 164.8 | -82.2 | -42.7 | 0 | 0 | 0 | 108.4 | I470 F471 | I470-N478 CarbonylContact O-C 3.38Å; I470-N478 WeakPolarHBondContact O-CA 3.36Å; F471-N478 WeakPolarHBondContact CD2-OD1 3.44Å |
| 479 | V | 86.9 | Confident | 89.2 | Confident | 60 Ų | 60 | 49.5 Ų | 49.5 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -38.6 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 111 | I470 D472 S477 I514 | I470-V479 PolarHBondContact O-N 3.3Å; D472-V479 HydrophobicContact CB-CG2 3.46Å; D472-V479 VanDerWaalsContact CB-CG2 3.46Å; S477-V479 PolarHBondContact O-N 3.41Å; V479-I514 HydrophobicContact CB-CG2 4.44Å; V479-I514 HydrophobicContact CG1-CG2 3.51Å |
| 480 | A | 87.9 | Confident | 89.3 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 13% | 0.132 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 151.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I470 F512 I514 | I470-A480 HydrophobicContact CB-CB 4.43Å; I470-A480 HydrophobicContact CD1-CB 4.19Å; I470-A480 HydrophobicContact CG1-CB 4.48Å; I470-A480 PolarHBondContact N-O 2.9Å; I470-A480 PolarHBondContact O-N 3.3Å; A480-F512 HydrophobicContact CB-CE1 3.97Å; A480-F512 HydrophobicContact CB-CZ 4.28Å; A480-I514 HydrophobicContact CB-CG2 4.48Å |
| 481 | H | 90.8 | Very high | 89.3 | Confident | 106 Ų | 106 | 51.4 Ų | 51.4 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 125 | 166.8 | -70 | -77.1 | 0 | 0 | 0 | 109.1 | V468 | V468-H481 CarbonylContact O-C 3.53Å; V468-H481 WeakPolarHBondContact O-CA 3.27Å |
| 482 | V | 91.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 96.8 | -174.9 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | T467 V468 I470 L500 F502 F512 K519 | T467-V482 WeakPolarHBondContact CA-O 3.38Å; V468-V482 HydrophobicContact CB-CB 4.11Å; V468-V482 HydrophobicContact CG2-CB 4.44Å; V468-V482 PolarHBondContact N-O 3.18Å; V468-V482 PolarHBondContact O-N 3.28Å; I470-V482 HydrophobicContact CD1-CG2 4.48Å; V482-L500 HydrophobicContact CG2-CD2 4.25Å; V482-F502 HydrophobicContact CG1-CE1 3.8Å; V482-F502 HydrophobicContact CG1-CZ 4.02Å; V482-F512 HydrophobicContact CG1-CG 4.41Å; V482-F512 HydrophobicContact CG2-CD1 3.52Å; V482-F512 HydrophobicContact CG2-CD2 4.45Å; V482-F512 HydrophobicContact CG2-CE1 3.4Å; V482-F512 HydrophobicContact CG2-CE2 4.32Å; V482-F512 HydrophobicContact CG2-CG 4.05Å; V482-F512 HydrophobicContact CG2-CZ 3.8Å; V482-K519 HydrophobicContact CG1-CD 4.5Å |
| 483 | S | 91 | Very high | 89.5 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 139 | 170.7 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | K519 | S483-K519 PolarHBondContact O-NZ 3.24Å |
| 484 | H | 92.1 | Very high | 89.6 | Confident | 32 Ų | 32 | 49.5 Ų | 49.5 | 15% | 0.148 | 27% | 0.272 | C | S | . | . | trans | -137.5 | 140.3 | 174.4 | -170.4 | 54.3 | 0 | 0 | 0 | 110.7 | K466 R486 I488 F502 D504 I510 | K466-H484 VanDerWaalsContact CB-O 3.31Å; K466-H484 WeakPolarHBondContact CB-O 3.41Å; K466-H484 PolarHBondContact O-N 3.16Å; H484-R486 PolarHBondContact CD2-O 3.49Å; H484-R486 PolarHBondContact O-N 3.3Å; H484-R486 VanDerWaalsContact O-N 3.11Å; H484-I488 HydrophobicContact CB-CD1 4Å; H484-I488 HydrophobicContact CB-CG1 4.24Å; H484-F502 HydrophobicContact CB-CE2 4.08Å; H484-F502 AromaticContact CG-CE2 3.84Å; H484-D504 WeakPolarHBondContact NE2-CB 3.16Å; H484-D504 IonicContact NE2-OD2 3.11Å; H484-D504 PolarHBondContact NE2-OD2 2.95Å; H484-I510 WeakPolarHBondContact CE1-CD1 3.28Å | ||
| 485 | D | 88.2 | Confident | 89.7 | Confident | 142 Ų | 142 | 47.4 Ų | 47.4 | 76% | 0.759 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -64.3 | -25.4 | -172.3 | -62.8 | -24.9 | 0 | 0 | 0 | 113.4 | K466 | K466-D485 VanDerWaalsContact CE-O 3.22Å; K466-D485 WeakPolarHBondContact CE-O 3.39Å; K466-D485 PolarHBondContact NZ-O 3.04Å |
| 486 | R | 90 | Very high | 89.7 | Confident | 81 Ų | 81 | 44 Ų | 44 | 31% | 0.306 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -113.6 | 157.3 | -175.2 | -68 | 171.4 | 179.1 | 170.7 | 9.5 | 111 | H484 I488 D504 K506 | H484-R486 PolarHBondContact CD2-O 3.49Å; H484-R486 PolarHBondContact O-N 3.3Å; H484-R486 VanDerWaalsContact O-N 3.11Å; R486-I488 PolarHBondContact O-N 3.17Å; R486-D504 HydrophobicContact CB-CB 4.13Å; R486-D504 WeakPolarHBondContact CD-OD2 3.24Å; R486-D504 IonicContact NH1-OD2 2.65Å; R486-D504 PolarHBondContact NH1-OD2 2.86Å; R486-K506 VanDerWaalsContact CZ-CD 3.48Å; R486-K506 VanDerWaalsContact NH2-NZ 3.17Å |
| 487 | K | 93 | Very high | 90 | Very high | 100 Ų | 100 | 42.4 Ų | 42.4 | 44% | 0.435 | 22% | 0.219 | S | C | . | . | trans | -63.8 | 126.6 | 177.7 | -64.9 | -179.1 | 177.3 | -175.7 | 0 | 109.6 | L465 K466 D504 K505 | L465-K487 HydrophobicContact CB-CB 4.19Å; L465-K487 HydrophobicContact CB-CD 4.29Å; L465-K487 HydrophobicContact CB-CG 3.94Å; L465-K487 HydrophobicContact CD1-CD 3.95Å; L465-K487 CarbonylContact O-C 3.45Å; L465-K487 WeakPolarHBondContact O-CA 3.49Å; K466-K487 HydrophobicContact CG-CG 4.47Å; K487-D504 CarbonylContact O-C 3.53Å; K487-D504 WeakPolarHBondContact O-CA 3.26Å; K487-K505 HydrophobicContact CB-CD 3.91Å; K487-K505 HydrophobicContact CB-CG 3.98Å; K487-K505 HydrophobicContact CD-CD 4.43Å; K487-K505 WeakPolarHBondContact O-CG 3.36Å; K487-K505 PolarHBondContact O-N 2.93Å | ||
| 488 | I | 93.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 135.6 | 173.9 | -58.1 | -179.7 | 0 | 0 | 0 | 108.1 | M462 L465 V468 H484 R486 I491 F502 R503 | M462-I488 HydrophobicContact CE-CB 3.83Å; M462-I488 HydrophobicContact CE-CD1 4.06Å; M462-I488 HydrophobicContact CE-CG1 4.29Å; M462-I488 HydrophobicContact CE-CG2 4.39Å; M462-I488 HydrophobicContact SD-CB 4.26Å; M462-I488 HydrophobicContact SD-CG2 4.17Å; L465-I488 PolarHBondContact O-N 2.64Å; V468-I488 HydrophobicContact CG2-CD1 3.46Å; V468-I488 VanDerWaalsContact CG2-CD1 3.46Å; H484-I488 HydrophobicContact CB-CD1 4Å; H484-I488 HydrophobicContact CB-CG1 4.24Å; R486-I488 PolarHBondContact O-N 3.17Å; I488-I491 HydrophobicContact CG2-CG2 3.53Å; I488-F502 HydrophobicContact CD1-CD2 3.66Å; I488-F502 HydrophobicContact CD1-CE2 3.99Å; I488-F502 HydrophobicContact CD1-CG 4.3Å; I488-F502 HydrophobicContact CG1-CD2 4.04Å; I488-F502 HydrophobicContact CG1-CE2 4.47Å; I488-F502 HydrophobicContact CG2-CB 4.11Å; I488-F502 HydrophobicContact CG2-CD2 4.38Å; I488-R503 WeakPolarHBondContact CA-O 3.38Å; I488-R503 WeakPolarHBondContact CG2-O 3.43Å |
| 489 | D | 91.6 | Very high | 90.3 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -16.8 | -179.7 | 77.4 | -26.1 | 0 | 0 | 0 | 113.7 | L440 R503 K505 | L440-D489 WeakPolarHBondContact CD2-O 3.33Å; D489-R503 PolarHBondContact N-O 3.03Å; D489-R503 IonicContact OD1-CZ 3.66Å; D489-R503 IonicContact OD1-NE 2.77Å; D489-R503 PolarHBondContact OD1-NE 3.21Å; D489-R503 IonicContact OD1-NH2 2.93Å; D489-R503 IonicContact OD2-CZ 3.94Å; D489-R503 IonicContact OD2-NE 3.82Å; D489-R503 PolarHBondContact OD2-NE 2.93Å; D489-R503 IonicContact OD2-NH2 3.7Å; D489-R503 PolarHBondContact OD2-NH2 3.19Å; D489-K505 HydrophobicContact CB-CG 4.23Å |
| 490 | W | 94.7 | Very high | 90.7 | Very high | 36 Ų | 36 | 37.6 Ų | 37.6 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 140.6 | 179.4 | -178.9 | 95.4 | 0 | 0 | 0 | 112 | F439 E492 L501 F502 R503 V529 | F439-W490 AromaticContact CD1-CD1 3.77Å; F439-W490 CarbonylContact O-C 3.52Å; F439-W490 VanDerWaalsContact O-CA 3.29Å; F439-W490 WeakPolarHBondContact O-CA 2.99Å; W490-E492 HydrophobicContact CH2-CB 3.24Å; W490-E492 HydrophobicContact CH2-CG 4.28Å; W490-E492 WeakPolarHBondContact CH2-OE2 3.45Å; W490-E492 HydrophobicContact CZ2-CB 3.5Å; W490-E492 VanDerWaalsContact CZ2-CB 3.5Å; W490-E492 HydrophobicContact CZ2-CG 4.31Å; W490-E492 WeakPolarHBondContact CZ2-OE2 3.36Å; W490-E492 HydrophobicContact CZ3-CB 3.91Å; W490-L501 HydrophobicContact CH2-CB 4.29Å; W490-L501 HydrophobicContact CZ3-CB 3.82Å; W490-F502 CarbonylContact O-C 3.59Å; W490-F502 VanDerWaalsContact O-CA 3.28Å; W490-F502 WeakPolarHBondContact O-CA 3.46Å; W490-R503 HydrophobicContact CB-CB 4.27Å; W490-R503 HydrophobicContact CE3-CB 4.41Å; W490-R503 PolarHBondContact O-N 2.93Å; W490-V529 HydrophobicContact CD2-CG1 4.33Å; W490-V529 HydrophobicContact CE3-CG1 3.85Å; W490-V529 HydrophobicContact CH2-CB 4.49Å; W490-V529 HydrophobicContact CH2-CG1 3.54Å; W490-V529 HydrophobicContact CH2-CG2 4.38Å; W490-V529 HydrophobicContact CZ2-CG1 4.04Å; W490-V529 HydrophobicContact CZ3-CG1 3.44Å; W490-V529 VanDerWaalsContact CZ3-CG1 3.44Å |
| 491 | I | 94.8 | Very high | 91 | Very high | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147.5 | 175.8 | 71 | 177.1 | 0 | 0 | 0 | 112.3 | F439 L440 A460 M462 V468 I488 L500 L501 F502 | F439-I491 PolarHBondContact O-N 2.77Å; L440-I491 VanDerWaalsContact C-CD1 3.46Å; L440-I491 VanDerWaalsContact O-CD1 3.23Å; L440-I491 WeakPolarHBondContact O-CD1 3.43Å; A460-I491 HydrophobicContact CB-CD1 4.1Å; M462-I491 HydrophobicContact SD-CD1 4.42Å; M462-I491 HydrophobicContact SD-CG2 4.08Å; V468-I491 HydrophobicContact CG1-CD1 3.94Å; V468-I491 HydrophobicContact CG2-CG2 4.18Å; I488-I491 HydrophobicContact CG2-CG2 3.53Å; I491-L500 HydrophobicContact CB-CD1 4.33Å; I491-L501 CarbonylContact C-O 3.59Å; I491-L501 WeakPolarHBondContact CA-O 3.2Å; I491-F502 HydrophobicContact CB-CB 4.37Å; I491-F502 HydrophobicContact CG2-CB 3.76Å |
| 492 | E | 93.9 | Very high | 91.2 | Very high | 37 Ų | 37 | 31.8 Ų | 31.8 | 17% | 0.173 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 126.1 | 174.5 | -167.3 | 174.3 | -164 | 0 | 0 | 113.5 | R444 W490 L501 W531 | R444-E492 IonicContact NH2-OE1 2.66Å; R444-E492 PolarHBondContact NH2-OE1 3.33Å; W490-E492 HydrophobicContact CH2-CB 3.24Å; W490-E492 HydrophobicContact CH2-CG 4.28Å; W490-E492 WeakPolarHBondContact CH2-OE2 3.45Å; W490-E492 HydrophobicContact CZ2-CB 3.5Å; W490-E492 VanDerWaalsContact CZ2-CB 3.5Å; W490-E492 HydrophobicContact CZ2-CG 4.31Å; W490-E492 WeakPolarHBondContact CZ2-OE2 3.36Å; W490-E492 HydrophobicContact CZ3-CB 3.91Å; E492-L501 PolarHBondContact N-O 3.2Å; E492-L501 PolarHBondContact O-N 2.86Å; E492-W531 PolarHBondContact O-NE1 3.3Å |
| 493 | L | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 146.4 | 170.8 | -72.7 | 173.1 | 0 | 0 | 0 | 110.9 | S442 R444 K458 A460 K499 L500 I514 | S442-L493 WeakPolarHBondContact O-CD1 3.35Å; S442-L493 PolarHBondContact OG-N 3.14Å; R444-L493 HydrophobicContact CG-CB 3.84Å; R444-L493 HydrophobicContact CG-CD1 4.49Å; R444-L493 PolarHBondContact NE-O 3.45Å; R444-L493 PolarHBondContact NH2-O 3.36Å; K458-L493 HydrophobicContact CB-CD1 4.43Å; A460-L493 HydrophobicContact CB-CD1 3.87Å; A460-L493 HydrophobicContact CB-CD2 4.18Å; A460-L493 HydrophobicContact CB-CG 3.83Å; L493-K499 WeakPolarHBondContact CA-O 3.43Å; L493-L500 HydrophobicContact CD2-CB 3.93Å; L493-L500 HydrophobicContact CD2-CD1 3.82Å; L493-L500 HydrophobicContact CD2-CG 4.46Å; L493-L500 HydrophobicContact CG-CD1 4.09Å; L493-I514 HydrophobicContact CD2-CD1 3.67Å |
| 494 | N | 90.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | trans | -69.8 | 162.8 | 166.8 | 75.8 | -32 | 0 | 0 | 0 | 111.4 | R444 T496 G497 Q498 K499 W531 D536 | R444-N494 WeakPolarHBondContact CG-O 3.42Å; N494-T496 PolarHBondContact ND2-OG1 3.47Å; N494-T496 PolarHBondContact O-N 3.09Å; N494-G497 PolarHBondContact O-N 3.42Å; N494-G497 WeakPolarHBondContact OD1-CA 3.34Å; N494-G497 PolarHBondContact OD1-N 3.33Å; N494-Q498 PolarHBondContact OD1-N 3.17Å; N494-K499 HydrophobicContact CB-CB 4.47Å; N494-K499 PolarHBondContact N-O 3.47Å; N494-K499 PolarHBondContact OD1-N 3.36Å; N494-K499 PolarHBondContact OD1-O 3.23Å; N494-W531 HydrophobicContact CB-CD2 3.91Å; N494-W531 HydrophobicContact CB-CE3 4.13Å; N494-W531 HydrophobicContact CB-CH2 4.04Å; N494-W531 HydrophobicContact CB-CZ2 3.8Å; N494-W531 HydrophobicContact CB-CZ3 4.19Å; N494-D536 WeakPolarHBondContact CB-OD1 3.38Å; N494-D536 PolarHBondContact ND2-OD1 2.89Å | ||
| 495 | E | 87.2 | Confident | 91.4 | Very high | 35 Ų | 35 | 35 Ų | 35 | 16% | 0.164 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.8 | -175.2 | -65.6 | -176.8 | 179.1 | 0 | 0 | 113.9 | E447 R448 Q534 | E447-E495 HydrophobicContact CB-CB 4.25Å; E447-E495 HydrophobicContact CB-CG 4.41Å; R448-E495 HydrophobicContact CB-CB 3.9Å; E495-Q534 PolarHBondContact OE1-N 2.73Å; E495-Q534 VanDerWaalsContact OE2-CA 3.25Å; E495-Q534 WeakPolarHBondContact OE2-CA 3.11Å; E495-Q534 PolarHBondContact OE2-N 3.05Å |
| 496 | T | 83.2 | Confident | 91.6 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 6% | 0.055 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.8 | 175.5 | 71 | 0 | 0 | 0 | 0 | 113.3 | R448 C456 N494 Q498 | R448-T496 HydrophobicContact CB-CG2 4.46Å; R448-T496 HydrophobicContact CG-CG2 4.35Å; C456-T496 VanDerWaalsContact SG-C 3.58Å; C456-T496 PolarHBondContact SG-O 3.07Å; N494-T496 PolarHBondContact ND2-OG1 3.47Å; N494-T496 PolarHBondContact O-N 3.09Å; T496-Q498 VanDerWaalsContact C-N 3.3Å; T496-Q498 PolarHBondContact O-N 3Å; T496-Q498 PolarHBondContact OG1-OE1 2.88Å |
| 497 | G | 85.9 | Confident | 91.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 64.5 | 30.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | K458 N494 I514 | K458-G497 WeakPolarHBondContact CD-O 3.49Å; K458-G497 PolarHBondContact NZ-O 3.35Å; N494-G497 PolarHBondContact O-N 3.42Å; N494-G497 WeakPolarHBondContact OD1-CA 3.34Å; N494-G497 PolarHBondContact OD1-N 3.33Å; G497-I514 WeakPolarHBondContact O-CD1 3.19Å |
| 498 | Q | 85.8 | Confident | 91.7 | Very high | 45 Ų | 45 | 28.5 Ų | 28.5 | 21% | 0.21 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -102.3 | -21.3 | 175.9 | -71.2 | 176.5 | -46.7 | 0 | 0 | 112.6 | N494 T496 I514 E515 | N494-Q498 PolarHBondContact OD1-N 3.17Å; T496-Q498 VanDerWaalsContact C-N 3.3Å; T496-Q498 PolarHBondContact O-N 3Å; T496-Q498 PolarHBondContact OG1-OE1 2.88Å; Q498-I514 VanDerWaalsContact O-CB 3.23Å; Q498-I514 WeakPolarHBondContact O-CB 3.45Å; Q498-I514 VanDerWaalsContact O-CG1 3.32Å; Q498-I514 WeakPolarHBondContact O-CG1 3.46Å; Q498-I514 PolarHBondContact O-N 3.46Å; Q498-E515 PolarHBondContact NE2-OE1 2.81Å |
| 499 | K | 90.5 | Very high | 91.7 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 10% | 0.096 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.5 | -178.3 | -59.1 | -174.5 | -174.3 | -175.3 | 0 | 110.7 | L493 N494 L511 F512 W531 T552 | L493-K499 WeakPolarHBondContact CA-O 3.43Å; N494-K499 HydrophobicContact CB-CB 4.47Å; N494-K499 PolarHBondContact N-O 3.47Å; N494-K499 PolarHBondContact OD1-N 3.36Å; N494-K499 PolarHBondContact OD1-O 3.23Å; K499-L511 HydrophobicContact CB-CD1 4.05Å; K499-L511 HydrophobicContact CD-CD1 4.5Å; K499-F512 CarbonylContact C-O 3.54Å; K499-F512 WeakPolarHBondContact CA-O 3.45Å; K499-W531 HydrophobicContact CB-CH2 3.92Å; K499-W531 HydrophobicContact CB-CZ2 4.06Å; K499-W531 HydrophobicContact CD-CH2 4.41Å; K499-T552 VanDerWaalsContact NZ-CB 3.3Å; K499-T552 PolarHBondContact NZ-OG1 2.74Å |
| 500 | L | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.6 | 178.3 | 174.9 | 70 | 0 | 0 | 0 | 109.3 | A460 V468 I470 V482 I491 L493 F502 F512 | A460-L500 HydrophobicContact CB-CD1 3.87Å; V468-L500 HydrophobicContact CB-CD2 4.38Å; V468-L500 HydrophobicContact CG1-CD2 4.02Å; I470-L500 HydrophobicContact CD1-CB 4.39Å; I470-L500 HydrophobicContact CD1-CD2 3.96Å; I470-L500 HydrophobicContact CG1-CD2 4.48Å; V482-L500 HydrophobicContact CG2-CD2 4.25Å; I491-L500 HydrophobicContact CB-CD1 4.33Å; L493-L500 HydrophobicContact CD2-CB 3.93Å; L493-L500 HydrophobicContact CD2-CD1 3.82Å; L493-L500 HydrophobicContact CD2-CG 4.46Å; L493-L500 HydrophobicContact CG-CD1 4.09Å; L500-F502 HydrophobicContact CD2-CD1 4.38Å; L500-F502 HydrophobicContact CG-CD1 4.49Å; L500-F512 HydrophobicContact CB-CB 4.29Å; L500-F512 HydrophobicContact CB-CD1 4.35Å; L500-F512 HydrophobicContact CD2-CD1 4.49Å; L500-F512 PolarHBondContact N-O 3.26Å; L500-F512 PolarHBondContact O-N 3.37Å |
| 501 | L | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 140.1 | 163.6 | -72.4 | 171.1 | 0 | 0 | 0 | 109.7 | W490 I491 E492 L509 I510 L511 L522 V529 W531 I538 | W490-L501 HydrophobicContact CH2-CB 4.29Å; W490-L501 HydrophobicContact CZ3-CB 3.82Å; I491-L501 CarbonylContact C-O 3.59Å; I491-L501 WeakPolarHBondContact CA-O 3.2Å; E492-L501 PolarHBondContact N-O 3.2Å; E492-L501 PolarHBondContact O-N 2.86Å; L501-L509 HydrophobicContact CD2-CD1 4.19Å; L501-L509 HydrophobicContact CD2-CG 4.5Å; L501-I510 WeakPolarHBondContact CA-O 3.14Å; L501-L511 HydrophobicContact CD2-CB 3.81Å; L501-L511 HydrophobicContact CD2-CD1 3.76Å; L501-L511 HydrophobicContact CD2-CG 4.4Å; L501-L511 HydrophobicContact CG-CD1 4.19Å; L501-L522 HydrophobicContact CD2-CD1 3.87Å; L501-V529 HydrophobicContact CD1-CG2 3.85Å; L501-W531 HydrophobicContact CD1-CD2 4.07Å; L501-W531 VanDerWaalsContact CD1-CE2 3.46Å; L501-W531 HydrophobicContact CD1-CG 4.45Å; L501-W531 HydrophobicContact CD1-CH2 4.43Å; L501-W531 HydrophobicContact CD1-CZ2 3.69Å; L501-W531 HydrophobicContact CG-CH2 4.42Å; L501-W531 HydrophobicContact CG-CZ2 3.57Å; L501-I538 HydrophobicContact CD1-CD1 4.3Å; L501-I538 HydrophobicContact CD1-CG1 4.11Å; L501-I538 HydrophobicContact CD1-CG2 3.84Å; L501-I538 HydrophobicContact CD2-CD1 4.03Å |
| 502 | F | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.8 | 168.5 | 65.7 | -86.9 | 0 | 0 | 0 | 111.7 | V482 H484 I488 W490 I491 L500 I510 F512 | V482-F502 HydrophobicContact CG1-CE1 3.8Å; V482-F502 HydrophobicContact CG1-CZ 4.02Å; H484-F502 HydrophobicContact CB-CE2 4.08Å; H484-F502 AromaticContact CG-CE2 3.84Å; I488-F502 HydrophobicContact CD1-CD2 3.66Å; I488-F502 HydrophobicContact CD1-CE2 3.99Å; I488-F502 HydrophobicContact CD1-CG 4.3Å; I488-F502 HydrophobicContact CG1-CD2 4.04Å; I488-F502 HydrophobicContact CG1-CE2 4.47Å; I488-F502 HydrophobicContact CG2-CB 4.11Å; I488-F502 HydrophobicContact CG2-CD2 4.38Å; W490-F502 CarbonylContact O-C 3.59Å; W490-F502 VanDerWaalsContact O-CA 3.28Å; W490-F502 WeakPolarHBondContact O-CA 3.46Å; I491-F502 HydrophobicContact CB-CB 4.37Å; I491-F502 HydrophobicContact CG2-CB 3.76Å; L500-F502 HydrophobicContact CD2-CD1 4.38Å; L500-F502 HydrophobicContact CG-CD1 4.49Å; F502-I510 HydrophobicContact CD1-CB 4.29Å; F502-I510 HydrophobicContact CD1-CG2 4.37Å; F502-I510 HydrophobicContact CD2-CB 4.28Å; F502-I510 HydrophobicContact CD2-CD1 4.23Å; F502-I510 HydrophobicContact CE1-CB 3.86Å; F502-I510 HydrophobicContact CE1-CG2 3.54Å; F502-I510 HydrophobicContact CE2-CB 3.87Å; F502-I510 HydrophobicContact CE2-CD1 3.43Å; F502-I510 VanDerWaalsContact CE2-CD1 3.43Å; F502-I510 HydrophobicContact CE2-CG1 4.24Å; F502-I510 HydrophobicContact CE2-CG2 4.14Å; F502-I510 HydrophobicContact CG-CB 4.49Å; F502-I510 HydrophobicContact CZ-CB 3.65Å; F502-I510 HydrophobicContact CZ-CD1 3.78Å; F502-I510 HydrophobicContact CZ-CG1 4.32Å; F502-I510 HydrophobicContact CZ-CG2 3.4Å; F502-I510 VanDerWaalsContact CZ-CG2 3.4Å; F502-I510 PolarHBondContact N-O 3.34Å; F502-I510 PolarHBondContact O-N 3.14Å; F502-F512 HydrophobicContact CE1-CB 4.16Å |
| 503 | R | 94.4 | Very high | 91.6 | Very high | 39 Ų | 39 | 25.4 Ų | 25.4 | 15% | 0.147 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137 | 178.9 | -170.5 | -173.8 | 68 | -169.2 | -0.7 | 110.8 | I488 D489 W490 Q508 C526 Y527 | I488-R503 WeakPolarHBondContact CA-O 3.38Å; I488-R503 WeakPolarHBondContact CG2-O 3.43Å; D489-R503 PolarHBondContact N-O 3.03Å; D489-R503 IonicContact OD1-CZ 3.66Å; D489-R503 IonicContact OD1-NE 2.77Å; D489-R503 PolarHBondContact OD1-NE 3.21Å; D489-R503 IonicContact OD1-NH2 2.93Å; D489-R503 IonicContact OD2-CZ 3.94Å; D489-R503 IonicContact OD2-NE 3.82Å; D489-R503 PolarHBondContact OD2-NE 2.93Å; D489-R503 IonicContact OD2-NH2 3.7Å; D489-R503 PolarHBondContact OD2-NH2 3.19Å; W490-R503 HydrophobicContact CB-CB 4.27Å; W490-R503 HydrophobicContact CE3-CB 4.41Å; W490-R503 PolarHBondContact O-N 2.93Å; R503-Q508 VanDerWaalsContact CA-O 3.27Å; R503-Q508 WeakPolarHBondContact CA-O 3.31Å; R503-C526 WeakPolarHBondContact CD-O 3.38Å; R503-C526 PolarHBondContact NH1-O 3.25Å; R503-Y527 PolarHBondContact NH1-O 3.42Å |
| 504 | D | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 167.7 | 174.4 | 84.6 | -1.3 | 0 | 0 | 0 | 112.9 | H484 R486 K487 K506 L507 Q508 | H484-D504 WeakPolarHBondContact NE2-CB 3.16Å; H484-D504 IonicContact NE2-OD2 3.11Å; H484-D504 PolarHBondContact NE2-OD2 2.95Å; R486-D504 HydrophobicContact CB-CB 4.13Å; R486-D504 WeakPolarHBondContact CD-OD2 3.24Å; R486-D504 IonicContact NH1-OD2 2.65Å; R486-D504 PolarHBondContact NH1-OD2 2.86Å; K487-D504 CarbonylContact O-C 3.53Å; K487-D504 WeakPolarHBondContact O-CA 3.26Å; D504-K506 PolarHBondContact O-N 3.2Å; D504-K506 VanDerWaalsContact OD1-C 3.29Å; D504-K506 VanDerWaalsContact OD1-CA 3.26Å; D504-K506 WeakPolarHBondContact OD1-CA 3.2Å; D504-K506 WeakPolarHBondContact OD1-CB 3.45Å; D504-K506 PolarHBondContact OD1-N 3.4Å; D504-L507 WeakPolarHBondContact O-CA 3.28Å; D504-L507 PolarHBondContact O-N 3.2Å; D504-L507 PolarHBondContact OD1-N 2.72Å; D504-L507 VanDerWaalsContact OD1-N 3.13Å; D504-Q508 PolarHBondContact N-O 2.75Å; D504-Q508 WeakPolarHBondContact OD1-CB 3.4Å; D504-Q508 PolarHBondContact OD1-N 3.42Å; D504-Q508 PolarHBondContact OD2-OE1 2.97Å |
| 505 | K | 91.7 | Very high | 91.1 | Very high | 136 Ų | 136 | 32.6 Ų | 32.6 | 59% | 0.591 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -10.2 | 176.6 | -79.9 | -160.6 | 179.7 | -161.1 | 0 | 115 | K487 D489 L507 | K487-K505 HydrophobicContact CB-CD 3.91Å; K487-K505 HydrophobicContact CB-CG 3.98Å; K487-K505 HydrophobicContact CD-CD 4.43Å; K487-K505 WeakPolarHBondContact O-CG 3.36Å; K487-K505 PolarHBondContact O-N 2.93Å; D489-K505 HydrophobicContact CB-CG 4.23Å; K505-L507 VanDerWaalsContact C-N 3.32Å |
| 506 | K | 91.2 | Very high | 91 | Very high | 127 Ų | 127 | 34.8 Ų | 34.8 | 55% | 0.552 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 9 | 170.4 | -64.8 | -145.2 | -163.3 | 168.8 | 0 | 112.4 | R486 D504 Q508 | R486-K506 VanDerWaalsContact CZ-CD 3.48Å; R486-K506 VanDerWaalsContact NH2-NZ 3.17Å; D504-K506 PolarHBondContact O-N 3.2Å; D504-K506 VanDerWaalsContact OD1-C 3.29Å; D504-K506 VanDerWaalsContact OD1-CA 3.26Å; D504-K506 WeakPolarHBondContact OD1-CA 3.2Å; D504-K506 WeakPolarHBondContact OD1-CB 3.45Å; D504-K506 PolarHBondContact OD1-N 3.4Å; K506-Q508 VanDerWaalsContact C-N 3.27Å; K506-Q508 HydrophobicContact CB-CG 4.38Å; K506-Q508 PolarHBondContact O-N 2.77Å |
| 507 | L | 92.1 | Very high | 91.1 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 16% | 0.157 | 18% | 0.183 | C | C | . | . | trans | 66.5 | 23.9 | -177.9 | -52.7 | 172.5 | 0 | 0 | 0 | 113.4 | D504 K505 F525 C526 Y527 | D504-L507 WeakPolarHBondContact O-CA 3.28Å; D504-L507 PolarHBondContact O-N 3.2Å; D504-L507 PolarHBondContact OD1-N 2.72Å; D504-L507 VanDerWaalsContact OD1-N 3.13Å; K505-L507 VanDerWaalsContact C-N 3.32Å; L507-F525 HydrophobicContact CB-CD2 4.02Å; L507-F525 HydrophobicContact CB-CE2 4.37Å; L507-F525 HydrophobicContact CD1-CD2 4.02Å; L507-F525 HydrophobicContact CD1-CE2 3.54Å; L507-F525 HydrophobicContact CD1-CZ 3.9Å; L507-F525 HydrophobicContact CG-CE2 4.47Å; L507-F525 CarbonylContact O-C 3.57Å; L507-F525 VanDerWaalsContact O-CA 3.24Å; L507-F525 WeakPolarHBondContact O-CA 3.25Å; L507-F525 PolarHBondContact O-N 3.08Å; L507-C526 PolarHBondContact O-N 2.83Å; L507-Y527 HydrophobicContact CD1-CD1 3.68Å; L507-Y527 HydrophobicContact CD1-CE1 3.41Å; L507-Y527 VanDerWaalsContact CD1-CE1 3.41Å | ||
| 508 | Q | 92.8 | Very high | 91.2 | Very high | 29 Ų | 29 | 38 Ų | 38 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | trans | -77.9 | 126.9 | 172 | -59.4 | -173.5 | -44 | 0 | 0 | 109.7 | R503 D504 K506 L523 N524 | R503-Q508 VanDerWaalsContact CA-O 3.27Å; R503-Q508 WeakPolarHBondContact CA-O 3.31Å; D504-Q508 PolarHBondContact N-O 2.75Å; D504-Q508 WeakPolarHBondContact OD1-CB 3.4Å; D504-Q508 PolarHBondContact OD1-N 3.42Å; D504-Q508 PolarHBondContact OD2-OE1 2.97Å; K506-Q508 VanDerWaalsContact C-N 3.27Å; K506-Q508 HydrophobicContact CB-CG 4.38Å; K506-Q508 PolarHBondContact O-N 2.77Å; Q508-L523 CarbonylContact C-O 3.53Å; Q508-L523 WeakPolarHBondContact CA-O 3.06Å; Q508-N524 PolarHBondContact NE2-OD1 3.44Å | ||
| 509 | L | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.7 | 177.7 | -179.9 | 64.7 | 0 | 0 | 0 | 110.4 | L501 L522 L523 C526 V529 A540 | L501-L509 HydrophobicContact CD2-CD1 4.19Å; L501-L509 HydrophobicContact CD2-CG 4.5Å; L509-L522 HydrophobicContact CD2-CB 4.14Å; L509-L522 HydrophobicContact CD2-CD1 4.11Å; L509-L522 HydrophobicContact CG-CB 4.22Å; L509-L522 HydrophobicContact CG-CD1 4.36Å; L509-L522 PolarHBondContact O-N 3.31Å; L509-L523 HydrophobicContact CB-CB 4.19Å; L509-L523 HydrophobicContact CD2-CD1 4.43Å; L509-L523 PolarHBondContact N-O 3.4Å; L509-L523 PolarHBondContact O-N 3.37Å; L509-C526 HydrophobicContact CB-CB 3.89Å; L509-V529 HydrophobicContact CD1-CB 4.17Å; L509-V529 HydrophobicContact CD1-CG1 3.92Å; L509-V529 HydrophobicContact CD1-CG2 3.9Å; L509-V529 HydrophobicContact CD2-CB 4.24Å; L509-V529 HydrophobicContact CD2-CG2 3.81Å; L509-A540 HydrophobicContact CD2-CB 3.93Å |
| 510 | I | 94.4 | Very high | 91.4 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.2 | -176.6 | -59.5 | 158.3 | 0 | 0 | 0 | 109.1 | H484 L501 F502 S520 | H484-I510 WeakPolarHBondContact CE1-CD1 3.28Å; L501-I510 WeakPolarHBondContact CA-O 3.14Å; F502-I510 HydrophobicContact CD1-CB 4.29Å; F502-I510 HydrophobicContact CD1-CG2 4.37Å; F502-I510 HydrophobicContact CD2-CB 4.28Å; F502-I510 HydrophobicContact CD2-CD1 4.23Å; F502-I510 HydrophobicContact CE1-CB 3.86Å; F502-I510 HydrophobicContact CE1-CG2 3.54Å; F502-I510 HydrophobicContact CE2-CB 3.87Å; F502-I510 HydrophobicContact CE2-CD1 3.43Å; F502-I510 VanDerWaalsContact CE2-CD1 3.43Å; F502-I510 HydrophobicContact CE2-CG1 4.24Å; F502-I510 HydrophobicContact CE2-CG2 4.14Å; F502-I510 HydrophobicContact CG-CB 4.49Å; F502-I510 HydrophobicContact CZ-CB 3.65Å; F502-I510 HydrophobicContact CZ-CD1 3.78Å; F502-I510 HydrophobicContact CZ-CG1 4.32Å; F502-I510 HydrophobicContact CZ-CG2 3.4Å; F502-I510 VanDerWaalsContact CZ-CG2 3.4Å; F502-I510 PolarHBondContact N-O 3.34Å; F502-I510 PolarHBondContact O-N 3.14Å; I510-S520 CarbonylContact C-O 3.54Å; I510-S520 WeakPolarHBondContact CA-O 3.32Å; I510-S520 WeakPolarHBondContact CG2-O 3.44Å |
| 511 | L | 94.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.5 | 173.1 | 172.8 | 69.7 | 0 | 0 | 0 | 109.4 | K499 L501 K519 S520 L522 W531 I538 T555 | K499-L511 HydrophobicContact CB-CD1 4.05Å; K499-L511 HydrophobicContact CD-CD1 4.5Å; L501-L511 HydrophobicContact CD2-CB 3.81Å; L501-L511 HydrophobicContact CD2-CD1 3.76Å; L501-L511 HydrophobicContact CD2-CG 4.4Å; L501-L511 HydrophobicContact CG-CD1 4.19Å; L511-K519 CarbonylContact O-C 3.59Å; L511-S520 WeakPolarHBondContact CB-OG 3.49Å; L511-S520 PolarHBondContact N-O 2.81Å; L511-S520 PolarHBondContact O-N 3.02Å; L511-S520 PolarHBondContact O-OG 2.91Å; L511-L522 HydrophobicContact CB-CD1 3.81Å; L511-L522 HydrophobicContact CB-CD2 4.27Å; L511-L522 HydrophobicContact CB-CG 3.94Å; L511-W531 HydrophobicContact CD1-CH2 3.89Å; L511-W531 HydrophobicContact CD1-CZ2 4.05Å; L511-I538 HydrophobicContact CD1-CD1 4.13Å; L511-I538 HydrophobicContact CD2-CD1 4.06Å; L511-T555 HydrophobicContact CD2-CG2 4.21Å |
| 512 | F | 93.6 | Very high | 91.1 | Very high | 10 Ų | 10 | 45 Ų | 45 | 4% | 0.044 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.1 | 176 | 178.3 | -109.7 | 0 | 0 | 0 | 110.4 | I470 A480 V482 K499 L500 F502 I514 G517 V518 K519 | I470-F512 HydrophobicContact CD1-CD1 4.34Å; I470-F512 HydrophobicContact CD1-CE1 4.26Å; A480-F512 HydrophobicContact CB-CE1 3.97Å; A480-F512 HydrophobicContact CB-CZ 4.28Å; V482-F512 HydrophobicContact CG1-CG 4.41Å; V482-F512 HydrophobicContact CG2-CD1 3.52Å; V482-F512 HydrophobicContact CG2-CD2 4.45Å; V482-F512 HydrophobicContact CG2-CE1 3.4Å; V482-F512 HydrophobicContact CG2-CE2 4.32Å; V482-F512 HydrophobicContact CG2-CG 4.05Å; V482-F512 HydrophobicContact CG2-CZ 3.8Å; K499-F512 CarbonylContact C-O 3.54Å; K499-F512 WeakPolarHBondContact CA-O 3.45Å; L500-F512 HydrophobicContact CB-CB 4.29Å; L500-F512 HydrophobicContact CB-CD1 4.35Å; L500-F512 HydrophobicContact CD2-CD1 4.49Å; L500-F512 PolarHBondContact N-O 3.26Å; L500-F512 PolarHBondContact O-N 3.37Å; F502-F512 HydrophobicContact CE1-CB 4.16Å; F512-I514 HydrophobicContact CD1-CG1 4.14Å; F512-I514 HydrophobicContact CE1-CG1 4.2Å; F512-G517 WeakPolarHBondContact CE2-O 3.33Å; F512-V518 WeakPolarHBondContact CA-O 3.37Å; F512-K519 HydrophobicContact CD2-CB 4.37Å; F512-K519 HydrophobicContact CD2-CD 4.44Å; F512-K519 HydrophobicContact CD2-CG 3.35Å; F512-K519 HydrophobicContact CE2-CG 3.88Å; F512-K519 HydrophobicContact CG-CG 4.36Å |
| 513 | D | 90.2 | Very high | 90.9 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 19% | 0.193 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 122.7 | 170.5 | -178.7 | -18.1 | 0 | 0 | 0 | 109.6 | E515 T516 G517 V518 | D513-E515 PolarHBondContact OD1-N 2.77Å; D513-T516 WeakPolarHBondContact CB-OG1 3.39Å; D513-T516 PolarHBondContact OD1-N 3.37Å; D513-T516 WeakPolarHBondContact OD2-CG2 3.22Å; D513-T516 PolarHBondContact OD2-OG1 3.08Å; D513-G517 CarbonylContact O-C 3.47Å; D513-G517 WeakPolarHBondContact O-CA 3.25Å; D513-G517 PolarHBondContact O-N 2.93Å; D513-V518 HydrophobicContact CB-CB 4.46Å; D513-V518 PolarHBondContact N-O 3.28Å; D513-V518 PolarHBondContact O-N 3.21Å |
| 514 | I | 89.6 | Confident | 90.7 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -30 | -173.4 | -58 | 169.9 | 0 | 0 | 0 | 111.2 | I470 V479 A480 L493 G497 Q498 F512 | I470-I514 HydrophobicContact CD1-CD1 3.66Å; I470-I514 HydrophobicContact CD1-CG1 3.7Å; I470-I514 HydrophobicContact CG2-CD1 4.35Å; V479-I514 HydrophobicContact CB-CG2 4.44Å; V479-I514 HydrophobicContact CG1-CG2 3.51Å; A480-I514 HydrophobicContact CB-CG2 4.48Å; L493-I514 HydrophobicContact CD2-CD1 3.67Å; G497-I514 WeakPolarHBondContact O-CD1 3.19Å; Q498-I514 VanDerWaalsContact O-CB 3.23Å; Q498-I514 WeakPolarHBondContact O-CB 3.45Å; Q498-I514 VanDerWaalsContact O-CG1 3.32Å; Q498-I514 WeakPolarHBondContact O-CG1 3.46Å; Q498-I514 PolarHBondContact O-N 3.46Å; F512-I514 HydrophobicContact CD1-CG1 4.14Å; F512-I514 HydrophobicContact CE1-CG1 4.2Å |
| 515 | E | 83.5 | Confident | 90.5 | Very high | 136 Ų | 136 | 52.3 Ų | 52.3 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -42.7 | -179.7 | -68.7 | -171.3 | -178.7 | 0 | 0 | 111.6 | Q498 D513 | Q498-E515 PolarHBondContact NE2-OE1 2.81Å; D513-E515 PolarHBondContact OD1-N 2.77Å |
| 516 | T | 84.7 | Confident | 90.4 | Very high | 81 Ų | 81 | 45.9 Ų | 45.9 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -20 | -179.2 | 63 | 0 | 0 | 0 | 0 | 113.3 | D513 V518 | D513-T516 WeakPolarHBondContact CB-OG1 3.39Å; D513-T516 PolarHBondContact OD1-N 3.37Å; D513-T516 WeakPolarHBondContact OD2-CG2 3.22Å; D513-T516 PolarHBondContact OD2-OG1 3.08Å; T516-V518 VanDerWaalsContact C-N 3.27Å; T516-V518 WeakPolarHBondContact OG1-CB 3.46Å; T516-V518 WeakPolarHBondContact OG1-CG2 3.27Å |
| 517 | G | 84.8 | Confident | 90.2 | Very high | 41 Ų | 41 | 45.9 Ų | 45.9 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | trans | 75.5 | 12.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F512 D513 | F512-G517 WeakPolarHBondContact CE2-O 3.33Å; D513-G517 CarbonylContact O-C 3.47Å; D513-G517 WeakPolarHBondContact O-CA 3.25Å; D513-G517 PolarHBondContact O-N 2.93Å | ||
| 518 | V | 87.9 | Confident | 90.1 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 21% | 0.212 | 24% | 0.238 | C | C | . | . | trans | -82.6 | 120.3 | -173.8 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | F512 D513 T516 F1710 | F512-V518 WeakPolarHBondContact CA-O 3.37Å; D513-V518 HydrophobicContact CB-CB 4.46Å; D513-V518 PolarHBondContact N-O 3.28Å; D513-V518 PolarHBondContact O-N 3.21Å; T516-V518 VanDerWaalsContact C-N 3.27Å; T516-V518 WeakPolarHBondContact OG1-CB 3.46Å; T516-V518 WeakPolarHBondContact OG1-CG2 3.27Å; V518-F1710 HydrophobicContact CB-CB 4.43Å; V518-F1710 HydrophobicContact CB-CD1 3.81Å; V518-F1710 HydrophobicContact CB-CE1 4.42Å; V518-F1710 HydrophobicContact CB-CG 4.18Å; V518-F1710 HydrophobicContact CG1-CB 4.15Å; V518-F1710 HydrophobicContact CG1-CD1 3.45Å; V518-F1710 VanDerWaalsContact CG1-CD1 3.45Å; V518-F1710 HydrophobicContact CG1-CD2 4Å; V518-F1710 HydrophobicContact CG1-CE1 3.83Å; V518-F1710 HydrophobicContact CG1-CE2 4.32Å; V518-F1710 HydrophobicContact CG1-CG 3.57Å; V518-F1710 HydrophobicContact CG1-CZ 4.25Å; V518-F1710 HydrophobicContact CG2-CB 3.7Å; V518-F1710 HydrophobicContact CG2-CD1 3.92Å; V518-F1710 HydrophobicContact CG2-CG 3.98Å; V518-F1710 WeakPolarHBondContact CG2-O 3.27Å | ||
| 519 | K | 89.9 | Confident | 90.1 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 92 | 175.6 | -68.1 | 179 | -170.8 | 179.1 | 0 | 112.6 | V482 S483 L511 F512 F1710 | V482-K519 HydrophobicContact CG1-CD 4.5Å; S483-K519 PolarHBondContact O-NZ 3.24Å; L511-K519 CarbonylContact O-C 3.59Å; F512-K519 HydrophobicContact CD2-CB 4.37Å; F512-K519 HydrophobicContact CD2-CD 4.44Å; F512-K519 HydrophobicContact CD2-CG 3.35Å; F512-K519 HydrophobicContact CE2-CG 3.88Å; F512-K519 HydrophobicContact CG-CG 4.36Å; K519-F1710 VanDerWaalsContact C-CE1 3.42Å; K519-F1710 VanDerWaalsContact C-CZ 3.47Å; K519-F1710 HydrophobicContact CB-CE1 4.16Å; K519-F1710 WeakPolarHBondContact O-CE1 3.42Å; K519-F1710 WeakPolarHBondContact O-CZ 3.21Å |
| 520 | S | 90.7 | Very high | 89.9 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.5 | 178.8 | 57 | 0 | 0 | 0 | 0 | 112.7 | I510 L511 T555 | I510-S520 CarbonylContact C-O 3.54Å; I510-S520 WeakPolarHBondContact CA-O 3.32Å; I510-S520 WeakPolarHBondContact CG2-O 3.44Å; L511-S520 WeakPolarHBondContact CB-OG 3.49Å; L511-S520 PolarHBondContact N-O 2.81Å; L511-S520 PolarHBondContact O-N 3.02Å; L511-S520 PolarHBondContact O-OG 2.91Å; S520-T555 WeakPolarHBondContact OG-CG2 3.4Å |
| 521 | M | 91.5 | Very high | 89.8 | Confident | 105 Ų | 105 | 47.8 Ų | 47.8 | 52% | 0.517 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 119.1 | 172.5 | -177.3 | -177.6 | -70.9 | 0 | 0 | 109.5 | N524 | M521-N524 PolarHBondContact SD-OD1 3.28Å |
| 522 | L | 91.9 | Very high | 89.5 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 12% | 0.12 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -48 | -177.6 | -63.5 | -175.4 | 0 | 0 | 0 | 112.6 | L501 L509 L511 I538 W549 T555 | L501-L522 HydrophobicContact CD2-CD1 3.87Å; L509-L522 HydrophobicContact CD2-CB 4.14Å; L509-L522 HydrophobicContact CD2-CD1 4.11Å; L509-L522 HydrophobicContact CG-CB 4.22Å; L509-L522 HydrophobicContact CG-CD1 4.36Å; L509-L522 PolarHBondContact O-N 3.31Å; L511-L522 HydrophobicContact CB-CD1 3.81Å; L511-L522 HydrophobicContact CB-CD2 4.27Å; L511-L522 HydrophobicContact CB-CG 3.94Å; L522-I538 HydrophobicContact CD1-CD1 3.81Å; L522-I538 HydrophobicContact CD1-CG2 4.46Å; L522-W549 HydrophobicContact CB-CH2 4.21Å; L522-W549 HydrophobicContact CB-CZ2 3.87Å; L522-W549 HydrophobicContact CD2-CZ2 4.45Å; L522-T555 HydrophobicContact CD2-CG2 4.02Å |
| 523 | L | 91.2 | Very high | 89 | Confident | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 143.2 | -179.5 | -68.7 | 171.8 | 0 | 0 | 0 | 110.9 | Q508 L509 F525 C526 A540 C547 W549 M558 | Q508-L523 CarbonylContact C-O 3.53Å; Q508-L523 WeakPolarHBondContact CA-O 3.06Å; L509-L523 HydrophobicContact CB-CB 4.19Å; L509-L523 HydrophobicContact CD2-CD1 4.43Å; L509-L523 PolarHBondContact N-O 3.4Å; L509-L523 PolarHBondContact O-N 3.37Å; L523-F525 VanDerWaalsContact C-N 3.32Å; L523-C526 HydrophobicContact CB-CB 4.29Å; L523-C526 HydrophobicContact CD1-CB 4.16Å; L523-A540 HydrophobicContact CD1-CB 3.65Å; L523-C547 HydrophobicContact CD1-CB 4.29Å; L523-W549 HydrophobicContact CD1-CH2 3.76Å; L523-W549 HydrophobicContact CD2-CH2 4.18Å; L523-W549 HydrophobicContact CD2-CZ2 4.47Å; L523-W549 HydrophobicContact CG-CH2 3.71Å; L523-W549 HydrophobicContact CG-CZ2 4.24Å; L523-M558 HydrophobicContact CD2-SD 4.18Å |
| 524 | N | 89.6 | Confident | 88.5 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 58% | 0.578 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -77 | -19.4 | 172.6 | -80.2 | -43.6 | 0 | 0 | 0 | 113.6 | Q508 M521 | Q508-N524 PolarHBondContact NE2-OD1 3.44Å; M521-N524 PolarHBondContact SD-OD1 3.28Å |
| 525 | F | 89.1 | Confident | 88.3 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | trans | -151.3 | 108.8 | -174.3 | -162.2 | -107.9 | 0 | 0 | 0 | 110.1 | L507 L523 Y527 S542 K543 | L507-F525 HydrophobicContact CB-CD2 4.02Å; L507-F525 HydrophobicContact CB-CE2 4.37Å; L507-F525 HydrophobicContact CD1-CD2 4.02Å; L507-F525 HydrophobicContact CD1-CE2 3.54Å; L507-F525 HydrophobicContact CD1-CZ 3.9Å; L507-F525 HydrophobicContact CG-CE2 4.47Å; L507-F525 CarbonylContact O-C 3.57Å; L507-F525 VanDerWaalsContact O-CA 3.24Å; L507-F525 WeakPolarHBondContact O-CA 3.25Å; L507-F525 PolarHBondContact O-N 3.08Å; L523-F525 VanDerWaalsContact C-N 3.32Å; F525-Y527 HydrophobicContact CD1-CD2 4.41Å; F525-Y527 AromaticContact CD1-CE2 3.98Å; F525-Y527 HydrophobicContact CD1-CE2 3.98Å; F525-Y527 AromaticContact CE1-CD2 3.96Å; F525-Y527 HydrophobicContact CE1-CD2 3.96Å; F525-Y527 HydrophobicContact CE1-CE1 4.16Å; F525-Y527 AromaticContact CE1-CE2 3.14Å; F525-Y527 HydrophobicContact CE1-CE2 3.14Å; F525-Y527 AromaticContact CE1-CZ 3.26Å; F525-Y527 WeakPolarHBondContact CE1-OH 3.26Å; F525-Y527 AromaticContact CZ-CE1 3.97Å; F525-Y527 HydrophobicContact CZ-CE1 3.97Å; F525-Y527 AromaticContact CZ-CE2 3.76Å; F525-Y527 HydrophobicContact CZ-CE2 3.76Å; F525-Y527 AromaticContact CZ-CZ 3.31Å; F525-Y527 WeakPolarHBondContact CZ-OH 3.49Å; F525-S542 WeakPolarHBondContact O-CB 3.49Å; F525-S542 PolarHBondContact O-OG 3.17Å; F525-K543 HydrophobicContact CD1-CG 4.15Å; F525-K543 HydrophobicContact CE1-CG 4.41Å | ||
| 526 | C | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -139 | 113.9 | -173.4 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | R503 L507 L509 L523 Y528 Q541 | R503-C526 WeakPolarHBondContact CD-O 3.38Å; R503-C526 PolarHBondContact NH1-O 3.25Å; L507-C526 PolarHBondContact O-N 2.83Å; L509-C526 HydrophobicContact CB-CB 3.89Å; L523-C526 HydrophobicContact CB-CB 4.29Å; L523-C526 HydrophobicContact CD1-CB 4.16Å; C526-Y528 PolarHBondContact SG-O 2.83Å; C526-Q541 WeakPolarHBondContact CA-O 3.2Å | ||
| 527 | Y | 85.8 | Confident | 88.6 | Confident | 127 Ų | 127 | 42.8 Ų | 42.8 | 50% | 0.498 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -86.6 | -38.5 | 178.6 | -72.4 | -65.1 | 0 | 0 | 0 | 112.7 | R503 L507 F525 Q541 | R503-Y527 PolarHBondContact NH1-O 3.42Å; L507-Y527 HydrophobicContact CD1-CD1 3.68Å; L507-Y527 HydrophobicContact CD1-CE1 3.41Å; L507-Y527 VanDerWaalsContact CD1-CE1 3.41Å; F525-Y527 HydrophobicContact CD1-CD2 4.41Å; F525-Y527 AromaticContact CD1-CE2 3.98Å; F525-Y527 HydrophobicContact CD1-CE2 3.98Å; F525-Y527 AromaticContact CE1-CD2 3.96Å; F525-Y527 HydrophobicContact CE1-CD2 3.96Å; F525-Y527 HydrophobicContact CE1-CE1 4.16Å; F525-Y527 AromaticContact CE1-CE2 3.14Å; F525-Y527 HydrophobicContact CE1-CE2 3.14Å; F525-Y527 AromaticContact CE1-CZ 3.26Å; F525-Y527 WeakPolarHBondContact CE1-OH 3.26Å; F525-Y527 AromaticContact CZ-CE1 3.97Å; F525-Y527 HydrophobicContact CZ-CE1 3.97Å; F525-Y527 AromaticContact CZ-CE2 3.76Å; F525-Y527 HydrophobicContact CZ-CE2 3.76Å; F525-Y527 AromaticContact CZ-CZ 3.31Å; F525-Y527 WeakPolarHBondContact CZ-OH 3.49Å; Y527-Q541 PolarHBondContact N-O 2.98Å |
| 528 | Y | 90.3 | Very high | 88.9 | Confident | 45 Ų | 45 | 40.8 Ų | 40.8 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.7 | 179.6 | -175 | -84.2 | 0 | 0 | 0 | 109.4 | C526 Q530 A540 Q541 I568 D570 | C526-Y528 PolarHBondContact SG-O 2.83Å; Y528-Q530 HydrophobicContact CE1-CB 3.87Å; Y528-Q530 PolarHBondContact OH-OE1 2.93Å; Y528-A540 CarbonylContact O-C 3.54Å; Y528-A540 WeakPolarHBondContact O-CA 3.47Å; Y528-Q541 PolarHBondContact O-N 3.14Å; Y528-I568 HydrophobicContact CD1-CB 3.71Å; Y528-I568 HydrophobicContact CD1-CD1 3.96Å; Y528-I568 HydrophobicContact CD1-CG1 4.44Å; Y528-I568 HydrophobicContact CD1-CG2 3.59Å; Y528-I568 HydrophobicContact CD2-CB 4.12Å; Y528-I568 HydrophobicContact CD2-CG2 4.28Å; Y528-I568 WeakPolarHBondContact CD2-O 3.34Å; Y528-I568 HydrophobicContact CE1-CB 4.03Å; Y528-I568 HydrophobicContact CE1-CG2 3.36Å; Y528-I568 HydrophobicContact CE2-CB 4.38Å; Y528-I568 HydrophobicContact CE2-CG2 4.05Å; Y528-I568 WeakPolarHBondContact CE2-O 3.48Å; Y528-I568 HydrophobicContact CG-CB 3.77Å; Y528-I568 HydrophobicContact CG-CG2 4.05Å; Y528-D570 WeakPolarHBondContact OH-CA 3.18Å |
| 529 | V | 92.6 | Very high | 89.2 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 143.7 | 170.4 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | W490 L501 L509 I538 I539 A540 | W490-V529 HydrophobicContact CD2-CG1 4.33Å; W490-V529 HydrophobicContact CE3-CG1 3.85Å; W490-V529 HydrophobicContact CH2-CB 4.49Å; W490-V529 HydrophobicContact CH2-CG1 3.54Å; W490-V529 HydrophobicContact CH2-CG2 4.38Å; W490-V529 HydrophobicContact CZ2-CG1 4.04Å; W490-V529 HydrophobicContact CZ3-CG1 3.44Å; W490-V529 VanDerWaalsContact CZ3-CG1 3.44Å; L501-V529 HydrophobicContact CD1-CG2 3.85Å; L509-V529 HydrophobicContact CD1-CB 4.17Å; L509-V529 HydrophobicContact CD1-CG1 3.92Å; L509-V529 HydrophobicContact CD1-CG2 3.9Å; L509-V529 HydrophobicContact CD2-CB 4.24Å; L509-V529 HydrophobicContact CD2-CG2 3.81Å; V529-I538 HydrophobicContact CG2-CG2 4.11Å; V529-I539 CarbonylContact C-O 3.59Å; V529-I539 VanDerWaalsContact CA-O 3.25Å; V529-I539 WeakPolarHBondContact CA-O 3.43Å; V529-A540 HydrophobicContact CB-CB 4.27Å; V529-A540 HydrophobicContact CG2-CB 4.34Å |
| 530 | Q | 90.9 | Very high | 89.3 | Confident | 40 Ų | 40 | 35.7 Ų | 35.7 | 19% | 0.187 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 149.8 | 175 | -161.5 | -175.5 | -3.4 | 0 | 0 | 110.4 | Y528 I539 | Y528-Q530 HydrophobicContact CE1-CB 3.87Å; Y528-Q530 PolarHBondContact OH-OE1 2.93Å; Q530-I539 PolarHBondContact N-O 3.42Å; Q530-I539 PolarHBondContact O-N 3.33Å |
| 531 | W | 91.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 5% | 0.045 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 138.7 | 162.5 | -65.8 | 98.4 | 0 | 0 | 0 | 110.7 | E492 N494 K499 L501 L511 D536 I538 T552 | E492-W531 PolarHBondContact O-NE1 3.3Å; N494-W531 HydrophobicContact CB-CD2 3.91Å; N494-W531 HydrophobicContact CB-CE3 4.13Å; N494-W531 HydrophobicContact CB-CH2 4.04Å; N494-W531 HydrophobicContact CB-CZ2 3.8Å; N494-W531 HydrophobicContact CB-CZ3 4.19Å; K499-W531 HydrophobicContact CB-CH2 3.92Å; K499-W531 HydrophobicContact CB-CZ2 4.06Å; K499-W531 HydrophobicContact CD-CH2 4.41Å; L501-W531 HydrophobicContact CD1-CD2 4.07Å; L501-W531 VanDerWaalsContact CD1-CE2 3.46Å; L501-W531 HydrophobicContact CD1-CG 4.45Å; L501-W531 HydrophobicContact CD1-CH2 4.43Å; L501-W531 HydrophobicContact CD1-CZ2 3.69Å; L501-W531 HydrophobicContact CG-CH2 4.42Å; L501-W531 HydrophobicContact CG-CZ2 3.57Å; L511-W531 HydrophobicContact CD1-CH2 3.89Å; L511-W531 HydrophobicContact CD1-CZ2 4.05Å; W531-D536 HydrophobicContact CZ3-CB 4.34Å; W531-I538 HydrophobicContact CD2-CG1 4.43Å; W531-I538 HydrophobicContact CE3-CG1 3.77Å; W531-I538 HydrophobicContact CH2-CD1 3.88Å; W531-I538 HydrophobicContact CH2-CG1 3.78Å; W531-I538 HydrophobicContact CZ2-CG1 4.44Å; W531-I538 HydrophobicContact CZ3-CD1 3.98Å; W531-I538 HydrophobicContact CZ3-CG1 3.4Å; W531-I538 VanDerWaalsContact CZ3-CG1 3.4Å; W531-T552 HydrophobicContact CH2-CG2 4.28Å; W531-T552 HydrophobicContact CZ3-CG2 3.96Å |
| 532 | V | 88.6 | Confident | 89.3 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 125.6 | 171.1 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | Q534 S535 V537 I539 V571 T578 L593 | V532-Q534 PolarHBondContact O-N 3Å; V532-S535 WeakPolarHBondContact CB-OG 3.38Å; V532-S535 WeakPolarHBondContact CG1-OG 3.36Å; V532-S535 PolarHBondContact O-N 3.45Å; V532-S535 VanDerWaalsContact O-N 3.12Å; V532-S535 PolarHBondContact O-OG 3.4Å; V532-V537 HydrophobicContact CB-CB 4.11Å; V532-V537 HydrophobicContact CG2-CB 3.91Å; V532-V537 HydrophobicContact CG2-CG1 3.85Å; V532-V537 PolarHBondContact N-O 2.76Å; V532-I539 HydrophobicContact CG2-CD1 3.38Å; V532-I539 HydrophobicContact CG2-CG1 3.7Å; V532-V571 HydrophobicContact CG2-CG1 4.23Å; V532-T578 HydrophobicContact CG1-CG2 3.57Å; V532-L593 HydrophobicContact CG2-CD1 4.34Å |
| 533 | P | 84.7 | Confident | 88.9 | Confident | 41 Ų | 41 | 37.1 Ų | 37.1 | 27% | 0.266 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 136.1 | -179.4 | -26.5 | 34 | 0 | 0 | 0 | 113 | S535 R573 | P533-S535 VanDerWaalsContact C-N 3.26Å; P533-S535 PolarHBondContact O-N 2.89Å; P533-R573 WeakPolarHBondContact O-CD 3.5Å; P533-R573 PolarHBondContact O-NH1 2.86Å |
| 534 | Q | 79.8 | Confident | 88.7 | Confident | 123 Ų | 123 | 41.3 Ų | 41.3 | 58% | 0.575 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 24.4 | -178 | -53.8 | 176.4 | -12.2 | 0 | 0 | 115.1 | E495 V532 R573 T602 | E495-Q534 PolarHBondContact OE1-N 2.73Å; E495-Q534 VanDerWaalsContact OE2-CA 3.25Å; E495-Q534 WeakPolarHBondContact OE2-CA 3.11Å; E495-Q534 PolarHBondContact OE2-N 3.05Å; V532-Q534 PolarHBondContact O-N 3Å; Q534-R573 PolarHBondContact O-NH1 2.65Å; Q534-T602 VanDerWaalsContact O-CG2 3.28Å; Q534-T602 WeakPolarHBondContact O-CG2 3.47Å |
| 535 | S | 84.1 | Confident | 88.7 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -154.6 | 160.3 | 175.9 | 64.2 | 0 | 0 | 0 | 0 | 112 | V532 P533 V537 T602 | V532-S535 WeakPolarHBondContact CB-OG 3.38Å; V532-S535 WeakPolarHBondContact CG1-OG 3.36Å; V532-S535 PolarHBondContact O-N 3.45Å; V532-S535 VanDerWaalsContact O-N 3.12Å; V532-S535 PolarHBondContact O-OG 3.4Å; P533-S535 VanDerWaalsContact C-N 3.26Å; P533-S535 PolarHBondContact O-N 2.89Å; S535-V537 VanDerWaalsContact C-N 3.27Å; S535-V537 PolarHBondContact O-N 3.03Å; S535-T602 WeakPolarHBondContact CB-OG1 3.4Å |
| 536 | D | 85.5 | Confident | 88.8 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | trans | -95.1 | 44.3 | 175.6 | -64 | -47.9 | 0 | 0 | 0 | 111.7 | R448 N494 W531 T552 | R448-D536 IonicContact CZ-OD2 3.24Å; R448-D536 IonicContact NH1-OD1 3.71Å; R448-D536 IonicContact NH1-OD2 2.71Å; R448-D536 PolarHBondContact NH1-OD2 3.39Å; R448-D536 IonicContact NH2-OD2 2.93Å; N494-D536 WeakPolarHBondContact CB-OD1 3.38Å; N494-D536 PolarHBondContact ND2-OD1 2.89Å; W531-D536 HydrophobicContact CZ3-CB 4.34Å; D536-T552 WeakPolarHBondContact O-CG2 3.35Å | ||
| 537 | V | 89.4 | Confident | 88.8 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.024 | 17% | 0.17 | C | C | . | . | trans | -104.7 | 133.4 | 178 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | V532 S535 I548 W549 Y550 I598 | V532-V537 HydrophobicContact CB-CB 4.11Å; V532-V537 HydrophobicContact CG2-CB 3.91Å; V532-V537 HydrophobicContact CG2-CG1 3.85Å; V532-V537 PolarHBondContact N-O 2.76Å; S535-V537 VanDerWaalsContact C-N 3.27Å; S535-V537 PolarHBondContact O-N 3.03Å; V537-I548 HydrophobicContact CG1-CG2 3.97Å; V537-W549 WeakPolarHBondContact CG1-O 3.38Å; V537-Y550 HydrophobicContact CG1-CD1 4.22Å; V537-I598 HydrophobicContact CG2-CG1 4.12Å; V537-I598 HydrophobicContact CG2-CG2 4.31Å | ||
| 538 | I | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.1 | -176 | -54.9 | 167.3 | 0 | 0 | 0 | 109.3 | L501 L511 L522 V529 W531 I548 W549 T552 | L501-I538 HydrophobicContact CD1-CD1 4.3Å; L501-I538 HydrophobicContact CD1-CG1 4.11Å; L501-I538 HydrophobicContact CD1-CG2 3.84Å; L501-I538 HydrophobicContact CD2-CD1 4.03Å; L511-I538 HydrophobicContact CD1-CD1 4.13Å; L511-I538 HydrophobicContact CD2-CD1 4.06Å; L522-I538 HydrophobicContact CD1-CD1 3.81Å; L522-I538 HydrophobicContact CD1-CG2 4.46Å; V529-I538 HydrophobicContact CG2-CG2 4.11Å; W531-I538 HydrophobicContact CD2-CG1 4.43Å; W531-I538 HydrophobicContact CE3-CG1 3.77Å; W531-I538 HydrophobicContact CH2-CD1 3.88Å; W531-I538 HydrophobicContact CH2-CG1 3.78Å; W531-I538 HydrophobicContact CZ2-CG1 4.44Å; W531-I538 HydrophobicContact CZ3-CD1 3.98Å; W531-I538 HydrophobicContact CZ3-CG1 3.4Å; W531-I538 VanDerWaalsContact CZ3-CG1 3.4Å; I538-I548 WeakPolarHBondContact O-CA 3.41Å; I538-W549 HydrophobicContact CB-CB 4.28Å; I538-W549 HydrophobicContact CB-CE3 3.92Å; I538-W549 HydrophobicContact CG2-CE3 3.85Å; I538-W549 HydrophobicContact CG2-CZ3 4.19Å; I538-W549 PolarHBondContact N-O 3.28Å; I538-W549 PolarHBondContact O-N 3.33Å; I538-T552 HydrophobicContact CD1-CG2 3.7Å; I538-T552 HydrophobicContact CG1-CG2 3.98Å |
| 539 | I | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.1 | 172.1 | -60 | -179.6 | 0 | 0 | 0 | 108.7 | V529 Q530 V532 L546 C547 I568 V571 V580 L593 | V529-I539 CarbonylContact C-O 3.59Å; V529-I539 VanDerWaalsContact CA-O 3.25Å; V529-I539 WeakPolarHBondContact CA-O 3.43Å; Q530-I539 PolarHBondContact N-O 3.42Å; Q530-I539 PolarHBondContact O-N 3.33Å; V532-I539 HydrophobicContact CG2-CD1 3.38Å; V532-I539 HydrophobicContact CG2-CG1 3.7Å; I539-L546 HydrophobicContact CG2-CD1 3.41Å; I539-L546 VanDerWaalsContact CG2-CD1 3.41Å; I539-C547 WeakPolarHBondContact CA-O 3.32Å; I539-I568 HydrophobicContact CG2-CD1 4.24Å; I539-V571 HydrophobicContact CD1-CB 4.49Å; I539-V571 HydrophobicContact CD1-CG1 3.8Å; I539-V571 HydrophobicContact CD1-CG2 3.82Å; I539-V580 HydrophobicContact CD1-CG2 3.67Å; I539-V580 HydrophobicContact CG2-CG2 4.34Å; I539-L593 HydrophobicContact CD1-CD1 3.34Å; I539-L593 HydrophobicContact CG1-CD1 4.35Å |
| 540 | A | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L509 L523 Y528 V529 C547 W549 | L509-A540 HydrophobicContact CD2-CB 3.93Å; L523-A540 HydrophobicContact CD1-CB 3.65Å; Y528-A540 CarbonylContact O-C 3.54Å; Y528-A540 WeakPolarHBondContact O-CA 3.47Å; V529-A540 HydrophobicContact CB-CB 4.27Å; V529-A540 HydrophobicContact CG2-CB 4.34Å; A540-C547 PolarHBondContact N-O 3.32Å; A540-C547 PolarHBondContact O-N 2.93Å; A540-W549 HydrophobicContact CB-CH2 4.35Å; A540-W549 HydrophobicContact CB-CZ3 3.86Å |
| 541 | Q | 91.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122.9 | 170.5 | -168.6 | 174.6 | -2.3 | 0 | 0 | 110.4 | C526 Y527 Y528 K543 S545 L563 G566 I568 | C526-Q541 WeakPolarHBondContact CA-O 3.2Å; Y527-Q541 PolarHBondContact N-O 2.98Å; Y528-Q541 PolarHBondContact O-N 3.14Å; Q541-K543 WeakPolarHBondContact CG-O 3.41Å; Q541-K543 PolarHBondContact NE2-O 2.93Å; Q541-K543 VanDerWaalsContact NE2-O 3.13Å; Q541-S545 WeakPolarHBondContact CA-O 3.45Å; Q541-L563 HydrophobicContact CG-CD1 4.18Å; Q541-G566 PolarHBondContact NE2-O 2.74Å; Q541-I568 HydrophobicContact CB-CD1 3.67Å; Q541-I568 HydrophobicContact CB-CG1 4.13Å; Q541-I568 HydrophobicContact CG-CD1 4.35Å; Q541-I568 HydrophobicContact CG-CG1 4.42Å |
| 542 | S | 88.5 | Confident | 87.7 | Confident | 28 Ų | 28 | 28.2 Ų | 28.2 | 20% | 0.196 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 104.7 | 169.9 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | F525 D544 S545 | F525-S542 WeakPolarHBondContact O-CB 3.49Å; F525-S542 PolarHBondContact O-OG 3.17Å; S542-D544 PolarHBondContact O-N 3.25Å; S542-S545 PolarHBondContact N-O 3.13Å; S542-S545 PolarHBondContact O-N 2.95Å |
| 543 | K | 85.2 | Confident | 87.2 | Confident | 139 Ų | 139 | 35.5 Ų | 35.5 | 60% | 0.604 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | -118.1 | -174.2 | -54.7 | 176.9 | 179.9 | 178.7 | 0 | 110.6 | F525 Q541 S545 | F525-K543 HydrophobicContact CD1-CG 4.15Å; F525-K543 HydrophobicContact CE1-CG 4.41Å; Q541-K543 WeakPolarHBondContact CG-O 3.41Å; Q541-K543 PolarHBondContact NE2-O 2.93Å; Q541-K543 VanDerWaalsContact NE2-O 3.13Å; K543-S545 VanDerWaalsContact C-N 3.35Å |
| 544 | D | 86 | Confident | 86.9 | Confident | 107 Ų | 107 | 35 Ų | 35 | 57% | 0.572 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 22.5 | 179.7 | -52.3 | -44.4 | 0 | 0 | 0 | 112.5 | S542 L563 | S542-D544 PolarHBondContact O-N 3.25Å; D544-L563 WeakPolarHBondContact O-CB 3.25Å; D544-L563 PolarHBondContact O-N 3.21Å |
| 545 | S | 89.5 | Confident | 86.9 | Confident | 37 Ų | 37 | 31.1 Ų | 31.1 | 26% | 0.259 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.1 | 179.4 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | Q541 S542 K543 | Q541-S545 WeakPolarHBondContact CA-O 3.45Å; S542-S545 PolarHBondContact N-O 3.13Å; S542-S545 PolarHBondContact O-N 2.95Å; K543-S545 VanDerWaalsContact C-N 3.35Å |
| 546 | L | 90.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 115.9 | 167 | 174.3 | 69.5 | 0 | 0 | 0 | 109.1 | I539 I548 S560 I561 L563 I568 V580 | I539-L546 HydrophobicContact CG2-CD1 3.41Å; I539-L546 VanDerWaalsContact CG2-CD1 3.41Å; L546-I548 HydrophobicContact CD2-CD1 4.22Å; L546-I548 HydrophobicContact CG-CD1 4.24Å; L546-I548 HydrophobicContact CG-CG1 4.22Å; L546-S560 CarbonylContact O-C 3.52Å; L546-S560 WeakPolarHBondContact O-CA 3.36Å; L546-I561 HydrophobicContact CB-CB 4.23Å; L546-I561 HydrophobicContact CD2-CB 4.39Å; L546-I561 HydrophobicContact CD2-CD1 4.24Å; L546-I561 PolarHBondContact N-O 3.25Å; L546-I561 PolarHBondContact O-N 2.78Å; L546-L563 HydrophobicContact CB-CD1 4.3Å; L546-L563 HydrophobicContact CB-CD2 3.82Å; L546-L563 HydrophobicContact CB-CG 4.11Å; L546-I568 HydrophobicContact CD1-CD1 3.4Å; L546-I568 VanDerWaalsContact CD1-CD1 3.4Å; L546-I568 HydrophobicContact CD1-CG1 4.43Å; L546-V580 HydrophobicContact CD1-CG1 4.07Å; L546-V580 HydrophobicContact CD1-CG2 4.45Å; L546-V580 HydrophobicContact CD2-CB 4.47Å; L546-V580 HydrophobicContact CD2-CG2 4.32Å |
| 547 | C | 91.5 | Very high | 86.4 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.1 | -179.2 | -62.3 | 0 | 0 | 0 | 0 | 110 | L523 I539 A540 W549 M558 T559 | L523-C547 HydrophobicContact CD1-CB 4.29Å; I539-C547 WeakPolarHBondContact CA-O 3.32Å; A540-C547 PolarHBondContact N-O 3.32Å; A540-C547 PolarHBondContact O-N 2.93Å; C547-W549 HydrophobicContact CB-CH2 3.68Å; C547-W549 HydrophobicContact CB-CZ3 3.76Å; C547-M558 HydrophobicContact CB-CG 4.1Å; C547-M558 HydrophobicContact CB-SD 3.55Å; C547-M558 VanDerWaalsContact CB-SD 3.55Å; C547-M558 VanDerWaalsContact SG-SD 3.61Å; C547-T559 CarbonylContact C-O 3.57Å; C547-T559 WeakPolarHBondContact CA-O 3.38Å |
| 548 | I | 91.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.7 | -175.6 | -54.9 | 148.3 | 0 | 0 | 0 | 109.7 | V537 I538 L546 Y550 T559 I561 L593 | V537-I548 HydrophobicContact CG1-CG2 3.97Å; I538-I548 WeakPolarHBondContact O-CA 3.41Å; L546-I548 HydrophobicContact CD2-CD1 4.22Å; L546-I548 HydrophobicContact CG-CD1 4.24Å; L546-I548 HydrophobicContact CG-CG1 4.22Å; I548-Y550 HydrophobicContact CB-CE2 4.48Å; I548-Y550 HydrophobicContact CG2-CD1 4.34Å; I548-Y550 HydrophobicContact CG2-CD2 4.11Å; I548-Y550 HydrophobicContact CG2-CE1 4.07Å; I548-Y550 HydrophobicContact CG2-CE2 3.83Å; I548-Y550 HydrophobicContact CG2-CG 4.36Å; I548-T559 PolarHBondContact N-O 3.03Å; I548-T559 PolarHBondContact O-N 3.11Å; I548-I561 HydrophobicContact CD1-CD1 3.67Å; I548-I561 HydrophobicContact CD1-CG1 4.32Å; I548-L593 HydrophobicContact CD1-CD2 3.42Å; I548-L593 VanDerWaalsContact CD1-CD2 3.42Å; I548-L593 HydrophobicContact CG1-CD2 4.05Å |
| 549 | W | 90.6 | Very high | 86 | Confident | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 99.5 | 170.9 | -65.6 | -99.2 | 0 | 0 | 0 | 110 | L522 L523 V537 I538 A540 C547 T555 M558 | L522-W549 HydrophobicContact CB-CH2 4.21Å; L522-W549 HydrophobicContact CB-CZ2 3.87Å; L522-W549 HydrophobicContact CD2-CZ2 4.45Å; L523-W549 HydrophobicContact CD1-CH2 3.76Å; L523-W549 HydrophobicContact CD2-CH2 4.18Å; L523-W549 HydrophobicContact CD2-CZ2 4.47Å; L523-W549 HydrophobicContact CG-CH2 3.71Å; L523-W549 HydrophobicContact CG-CZ2 4.24Å; V537-W549 WeakPolarHBondContact CG1-O 3.38Å; I538-W549 HydrophobicContact CB-CB 4.28Å; I538-W549 HydrophobicContact CB-CE3 3.92Å; I538-W549 HydrophobicContact CG2-CE3 3.85Å; I538-W549 HydrophobicContact CG2-CZ3 4.19Å; I538-W549 PolarHBondContact N-O 3.28Å; I538-W549 PolarHBondContact O-N 3.33Å; A540-W549 HydrophobicContact CB-CH2 4.35Å; A540-W549 HydrophobicContact CB-CZ3 3.86Å; C547-W549 HydrophobicContact CB-CH2 3.68Å; C547-W549 HydrophobicContact CB-CZ3 3.76Å; W549-T555 PolarHBondContact NE1-O 2.93Å; W549-T555 VanDerWaalsContact NE1-O 3.13Å; W549-M558 HydrophobicContact CD2-CG 4.24Å; W549-M558 HydrophobicContact CH2-CG 4.19Å; W549-M558 HydrophobicContact CH2-SD 3.77Å; W549-M558 HydrophobicContact CZ2-CB 4.21Å; W549-M558 HydrophobicContact CZ2-CG 3.7Å; W549-M558 HydrophobicContact CZ2-SD 3.43Å; W549-M558 WeakPolarHBondContact CZ2-SD 3.36Å |
| 550 | Y | 85 | Confident | 85.8 | Confident | 35 Ų | 35 | 57 Ų | 57 | 14% | 0.137 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -70.9 | -30.4 | 176.5 | -68.1 | -74.7 | 0 | 0 | 0 | 113.4 | V537 I548 D594 L597 I598 | V537-Y550 HydrophobicContact CG1-CD1 4.22Å; I548-Y550 HydrophobicContact CB-CE2 4.48Å; I548-Y550 HydrophobicContact CG2-CD1 4.34Å; I548-Y550 HydrophobicContact CG2-CD2 4.11Å; I548-Y550 HydrophobicContact CG2-CE1 4.07Å; I548-Y550 HydrophobicContact CG2-CE2 3.83Å; I548-Y550 HydrophobicContact CG2-CG 4.36Å; Y550-D594 HydrophobicContact CE1-CB 4.02Å; Y550-D594 WeakPolarHBondContact OH-CB 3.05Å; Y550-D594 PolarHBondContact OH-N 2.98Å; Y550-L597 HydrophobicContact CD1-CB 3.66Å; Y550-L597 HydrophobicContact CD1-CD1 4.33Å; Y550-L597 HydrophobicContact CD2-CD1 3.82Å; Y550-L597 HydrophobicContact CE1-CB 4.21Å; Y550-L597 HydrophobicContact CE2-CD1 4.12Å; Y550-L597 HydrophobicContact CG-CB 3.87Å; Y550-L597 HydrophobicContact CG-CD1 3.94Å; Y550-I598 HydrophobicContact CD1-CG1 3.85Å; Y550-I598 HydrophobicContact CE1-CD1 4.2Å; Y550-I598 HydrophobicContact CE1-CG1 3.77Å |
| 551 | N | 81.4 | Confident | 85.6 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | trans | -121.2 | 113.7 | 174.6 | 179.7 | 13.6 | 0 | 0 | 0 | 109.6 | E553 S554 | N551-E553 VanDerWaalsContact C-N 3.3Å; N551-E553 PolarHBondContact O-N 3.39Å; N551-E553 WeakPolarHBondContact OD1-CB 3.1Å; N551-E553 PolarHBondContact OD1-N 3.01Å; N551-S554 WeakPolarHBondContact CB-OG 3.39Å; N551-S554 PolarHBondContact ND2-OG 2.97Å; N551-S554 VanDerWaalsContact ND2-OG 3.09Å; N551-S554 PolarHBondContact O-N 3.41Å; N551-S554 PolarHBondContact O-OG 3.24Å | ||
| 552 | T | 80.1 | Confident | 85.3 | Confident | 8 Ų | 8 | 63.7 Ų | 63.7 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.4 | -178.9 | 42 | 0 | 0 | 0 | 0 | 113.8 | K499 W531 D536 I538 | K499-T552 VanDerWaalsContact NZ-CB 3.3Å; K499-T552 PolarHBondContact NZ-OG1 2.74Å; W531-T552 HydrophobicContact CH2-CG2 4.28Å; W531-T552 HydrophobicContact CZ3-CG2 3.96Å; D536-T552 WeakPolarHBondContact O-CG2 3.35Å; I538-T552 HydrophobicContact CD1-CG2 3.7Å; I538-T552 HydrophobicContact CG1-CG2 3.98Å |
| 553 | E | 77.3 | Confident | 85.1 | Confident | 153 Ų | 153 | 63 Ų | 63 | 72% | 0.715 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -26 | 172.3 | -60.4 | -174.6 | 154.9 | 0 | 0 | 112.6 | N551 | N551-E553 VanDerWaalsContact C-N 3.3Å; N551-E553 PolarHBondContact O-N 3.39Å; N551-E553 WeakPolarHBondContact OD1-CB 3.1Å; N551-E553 PolarHBondContact OD1-N 3.01Å |
| 554 | S | 78.5 | Confident | 84.5 | Confident | 31 Ų | 31 | 67.2 Ų | 67.2 | 22% | 0.217 | 34% | 0.338 | C | S | . | . | trans | -109.6 | 72.9 | -179.6 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | N551 D556 R557 | N551-S554 WeakPolarHBondContact CB-OG 3.39Å; N551-S554 PolarHBondContact ND2-OG 2.97Å; N551-S554 VanDerWaalsContact ND2-OG 3.09Å; N551-S554 PolarHBondContact O-N 3.41Å; N551-S554 PolarHBondContact O-OG 3.24Å; S554-D556 PolarHBondContact O-N 3.22Å; S554-D556 VanDerWaalsContact O-N 3.09Å; S554-R557 PolarHBondContact O-N 3.11Å | ||
| 555 | T | 80.1 | Confident | 83.8 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 26% | 0.258 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.6 | -176.5 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | L511 S520 L522 W549 R557 | L511-T555 HydrophobicContact CD2-CG2 4.21Å; S520-T555 WeakPolarHBondContact OG-CG2 3.4Å; L522-T555 HydrophobicContact CD2-CG2 4.02Å; W549-T555 PolarHBondContact NE1-O 2.93Å; W549-T555 VanDerWaalsContact NE1-O 3.13Å; T555-R557 VanDerWaalsContact C-N 3.31Å; T555-R557 PolarHBondContact O-N 3.35Å |
| 556 | D | 78.8 | Confident | 83.3 | Confident | 156 Ų | 156 | 62.7 Ų | 62.7 | 83% | 0.834 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -18.8 | 179.2 | -56.8 | -17 | 0 | 0 | 0 | 113.3 | S554 M558 | S554-D556 PolarHBondContact O-N 3.22Å; S554-D556 VanDerWaalsContact O-N 3.09Å; D556-M558 PolarHBondContact O-N 2.73Å |
| 557 | R | 80.6 | Confident | 83 | Confident | 199 Ų | 199 | 67.8 Ų | 67.8 | 75% | 0.751 | 35% | 0.35 | S | S | * | . | trans | -96.9 | 76.2 | -178.1 | -66.1 | -171.8 | 179 | -168.4 | -0.1 | 111.1 | S554 T555 | S554-R557 PolarHBondContact O-N 3.11Å; T555-R557 VanDerWaalsContact C-N 3.31Å; T555-R557 PolarHBondContact O-N 3.35Å | ||
| 558 | M | 85.6 | Confident | 82.9 | Confident | 76 Ų | 76 | 68 Ų | 68 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | trans | -93.6 | 133.8 | 175.3 | -178 | -171.9 | 69.6 | 0 | 0 | 111.5 | L523 C547 W549 D556 | L523-M558 HydrophobicContact CD2-SD 4.18Å; C547-M558 HydrophobicContact CB-CG 4.1Å; C547-M558 HydrophobicContact CB-SD 3.55Å; C547-M558 VanDerWaalsContact CB-SD 3.55Å; C547-M558 VanDerWaalsContact SG-SD 3.61Å; W549-M558 HydrophobicContact CD2-CG 4.24Å; W549-M558 HydrophobicContact CH2-CG 4.19Å; W549-M558 HydrophobicContact CH2-SD 3.77Å; W549-M558 HydrophobicContact CZ2-CB 4.21Å; W549-M558 HydrophobicContact CZ2-CG 3.7Å; W549-M558 HydrophobicContact CZ2-SD 3.43Å; W549-M558 WeakPolarHBondContact CZ2-SD 3.36Å; D556-M558 PolarHBondContact O-N 2.73Å | ||
| 559 | T | 86.7 | Confident | 82.6 | Confident | 61 Ų | 61 | 71.4 Ų | 71.4 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 124.8 | 168.2 | -54 | 0 | 0 | 0 | 0 | 109.4 | C547 I548 | C547-T559 CarbonylContact C-O 3.57Å; C547-T559 WeakPolarHBondContact CA-O 3.38Å; I548-T559 PolarHBondContact N-O 3.03Å; I548-T559 PolarHBondContact O-N 3.11Å |
| 560 | S | 88.6 | Confident | 82.3 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.3 | 179.6 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | L546 | L546-S560 CarbonylContact O-C 3.52Å; L546-S560 WeakPolarHBondContact O-CA 3.36Å |
| 561 | I | 89 | Confident | 82.5 | Confident | 47 Ų | 47 | 73 Ų | 73 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.6 | 176.9 | -56.9 | 175.4 | 0 | 0 | 0 | 108.4 | L546 I548 Y591 | L546-I561 HydrophobicContact CB-CB 4.23Å; L546-I561 HydrophobicContact CD2-CB 4.39Å; L546-I561 HydrophobicContact CD2-CD1 4.24Å; L546-I561 PolarHBondContact N-O 3.25Å; L546-I561 PolarHBondContact O-N 2.78Å; I548-I561 HydrophobicContact CD1-CD1 3.67Å; I548-I561 HydrophobicContact CD1-CG1 4.32Å; I561-Y591 HydrophobicContact CG2-CD1 4.34Å; I561-Y591 HydrophobicContact CG2-CE1 4.37Å |
| 562 | P | 86 | Confident | 82.7 | Confident | 98 Ų | 98 | 72.3 Ų | 72.3 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 132.6 | 177.8 | 28.3 | -33.1 | 0 | 0 | 0 | 111.4 | ||
| 563 | L | 83.8 | Confident | 82.8 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | trans | -92.2 | 146.9 | 176.6 | -57.7 | -178.5 | 0 | 0 | 0 | 110.3 | Q541 D544 L546 G565 I582 Y591 | Q541-L563 HydrophobicContact CG-CD1 4.18Å; D544-L563 WeakPolarHBondContact O-CB 3.25Å; D544-L563 PolarHBondContact O-N 3.21Å; L546-L563 HydrophobicContact CB-CD1 4.3Å; L546-L563 HydrophobicContact CB-CD2 3.82Å; L546-L563 HydrophobicContact CB-CG 4.11Å; L563-G565 PolarHBondContact O-N 3.31Å; L563-I582 HydrophobicContact CD1-CD1 3.83Å; L563-I582 HydrophobicContact CD2-CD1 3.18Å; L563-I582 HydrophobicContact CG-CD1 4.07Å; L563-Y591 HydrophobicContact CD2-CE1 4.37Å; L563-Y591 HydrophobicContact CD2-CE2 4.22Å | ||
| 564 | R | 73.5 | Confident | 82.7 | Confident | 227 Ų | 227 | 73 Ų | 73 | 86% | 0.857 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -87.4 | 31.4 | 177.7 | -66.6 | -174.8 | -178.3 | 179.3 | 2 | 112.4 | ||
| 565 | G | 70.8 | Confident | 82.4 | Confident | 25 Ų | 25 | 79.3 Ų | 79.3 | 26% | 0.258 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 90.3 | 166.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L563 E584 | L563-G565 PolarHBondContact O-N 3.31Å; G565-E584 WeakPolarHBondContact O-CG 3.28Å |
| 566 | G | 80 | Confident | 81.9 | Confident | 24 Ų | 24 | 79.8 Ų | 79.8 | 25% | 0.247 | 43% | 0.425 | C | S | . | . | trans | 98.6 | 158.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q541 N583 | Q541-G566 PolarHBondContact NE2-O 2.74Å; G566-N583 WeakPolarHBondContact CA-O 3.29Å | ||
| 567 | D | 83.5 | Confident | 81.9 | Confident | 108 Ų | 108 | 80.1 Ų | 80.1 | 58% | 0.578 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140.8 | -178.9 | -63.6 | -37.3 | 0 | 0 | 0 | 110.3 | T569 I582 N583 | D567-T569 PolarHBondContact O-N 3.31Å; D567-I582 WeakPolarHBondContact O-CA 3.44Å; D567-N583 PolarHBondContact N-O 3.43Å; D567-N583 PolarHBondContact O-N 3.47Å |
| 568 | I | 88.7 | Confident | 82.2 | Confident | 8 Ų | 8 | 70.7 Ų | 70.7 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 130.3 | 172.6 | -57 | 175.2 | 0 | 0 | 0 | 108.7 | Y528 I539 Q541 L546 V580 I582 | Y528-I568 HydrophobicContact CD1-CB 3.71Å; Y528-I568 HydrophobicContact CD1-CD1 3.96Å; Y528-I568 HydrophobicContact CD1-CG1 4.44Å; Y528-I568 HydrophobicContact CD1-CG2 3.59Å; Y528-I568 HydrophobicContact CD2-CB 4.12Å; Y528-I568 HydrophobicContact CD2-CG2 4.28Å; Y528-I568 WeakPolarHBondContact CD2-O 3.34Å; Y528-I568 HydrophobicContact CE1-CB 4.03Å; Y528-I568 HydrophobicContact CE1-CG2 3.36Å; Y528-I568 HydrophobicContact CE2-CB 4.38Å; Y528-I568 HydrophobicContact CE2-CG2 4.05Å; Y528-I568 WeakPolarHBondContact CE2-O 3.48Å; Y528-I568 HydrophobicContact CG-CB 3.77Å; Y528-I568 HydrophobicContact CG-CG2 4.05Å; I539-I568 HydrophobicContact CG2-CD1 4.24Å; Q541-I568 HydrophobicContact CB-CD1 3.67Å; Q541-I568 HydrophobicContact CB-CG1 4.13Å; Q541-I568 HydrophobicContact CG-CD1 4.35Å; Q541-I568 HydrophobicContact CG-CG1 4.42Å; L546-I568 HydrophobicContact CD1-CD1 3.4Å; L546-I568 VanDerWaalsContact CD1-CD1 3.4Å; L546-I568 HydrophobicContact CD1-CG1 4.43Å; I568-V580 HydrophobicContact CB-CG1 4.49Å; I568-V580 HydrophobicContact CD1-CG1 4.13Å; I568-V580 HydrophobicContact CG1-CG1 4.11Å; I568-V580 HydrophobicContact CG2-CG1 3.62Å; I568-I582 HydrophobicContact CG1-CD1 4.44Å; I568-I582 HydrophobicContact CG1-CG1 4.27Å |
| 569 | T | 86 | Confident | 82.4 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 43% | 0.429 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -39.5 | 178.9 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | D567 L581 N583 | D567-T569 PolarHBondContact O-N 3.31Å; T569-L581 PolarHBondContact N-O 2.88Å; T569-L581 WeakPolarHBondContact OG1-CB 3.39Å; T569-L581 PolarHBondContact OG1-O 3.38Å; T569-L581 VanDerWaalsContact OG1-O 3.1Å; T569-N583 HydrophobicContact CG2-CB 3.55Å |
| 570 | D | 85.5 | Confident | 82.5 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 38% | 0.38 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 163.2 | -176.7 | -155.7 | -4.3 | 0 | 0 | 0 | 111.1 | Y528 L581 | Y528-D570 WeakPolarHBondContact OH-CA 3.18Å; D570-L581 HydrophobicContact CB-CD1 4.37Å; D570-L581 PolarHBondContact O-N 3.48Å |
| 571 | V | 88.6 | Confident | 82.7 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.024 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 115.1 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | V532 I539 T578 V580 | V532-V571 HydrophobicContact CG2-CG1 4.23Å; I539-V571 HydrophobicContact CD1-CB 4.49Å; I539-V571 HydrophobicContact CD1-CG1 3.8Å; I539-V571 HydrophobicContact CD1-CG2 3.82Å; V571-T578 HydrophobicContact CG1-CG2 4.11Å; V571-V580 HydrophobicContact CG2-CG2 4.44Å |
| 572 | V | 84.3 | Confident | 82.6 | Confident | 34 Ų | 34 | 64 Ų | 64 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.4 | -173.5 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | Q574 E579 L581 | V572-Q574 HydrophobicContact CG1-CB 4.24Å; V572-Q574 HydrophobicContact CG1-CG 3.58Å; V572-E579 PolarHBondContact N-O 3.37Å; V572-E579 PolarHBondContact O-N 3.17Å; V572-L581 HydrophobicContact CG2-CD1 3.71Å; V572-L581 HydrophobicContact CG2-CG 4.27Å |
| 573 | R | 83.8 | Confident | 82.5 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 16% | 0.155 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 102.4 | 169.5 | -168.8 | 172 | 178.9 | -176.4 | -0.2 | 109.1 | P533 Q534 R577 T578 E599 | P533-R573 WeakPolarHBondContact O-CD 3.5Å; P533-R573 PolarHBondContact O-NH1 2.86Å; Q534-R573 PolarHBondContact O-NH1 2.65Å; R573-R577 WeakPolarHBondContact CA-O 3.16Å; R573-T578 HydrophobicContact CB-CG2 4.49Å; R573-E599 IonicContact CZ-OE1 3.6Å; R573-E599 IonicContact NH2-OE1 3.57Å; R573-E599 PolarHBondContact NH2-OE1 2.86Å; R573-E599 IonicContact NH2-OE2 3.49Å |
| 574 | Q | 74.3 | Confident | 82.5 | Confident | 134 Ų | 134 | 65.2 Ų | 65.2 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.5 | 178.5 | -74.8 | -179.2 | 22.9 | 0 | 0 | 109.7 | V572 G576 R577 | V572-Q574 HydrophobicContact CG1-CB 4.24Å; V572-Q574 HydrophobicContact CG1-CG 3.58Å; Q574-G576 PolarHBondContact O-N 3.06Å; Q574-R577 PolarHBondContact N-O 3.34Å; Q574-R577 PolarHBondContact O-N 2.78Å |
| 575 | N | 73.3 | Confident | 82.4 | Confident | 164 Ų | 164 | 57.4 Ų | 57.4 | 88% | 0.877 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 32.6 | 177.8 | -55.2 | -30.5 | 0 | 0 | 0 | 114.7 | R577 | N575-R577 PolarHBondContact O-N 3.5Š|
| 576 | G | 69.1 | Low | 82.6 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 10.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q574 | Q574-G576 PolarHBondContact O-N 3.06Š|
| 577 | R | 78.7 | Confident | 82.6 | Confident | 164 Ų | 164 | 69.1 Ų | 69.1 | 62% | 0.619 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.1 | 170.9 | -67.5 | -175 | -177.1 | -177.5 | -0.1 | 111.1 | R573 Q574 N575 D595 | R573-R577 WeakPolarHBondContact CA-O 3.16Å; Q574-R577 PolarHBondContact N-O 3.34Å; Q574-R577 PolarHBondContact O-N 2.78Å; N575-R577 PolarHBondContact O-N 3.5Å; R577-D595 VanDerWaalsContact CA-OD2 3.29Å; R577-D595 WeakPolarHBondContact CA-OD2 3.47Å |
| 578 | T | 87 | Confident | 82.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 117 | 174.6 | -46.4 | 0 | 0 | 0 | 0 | 110.1 | V532 V571 R573 L593 D595 I598 | V532-T578 HydrophobicContact CG1-CG2 3.57Å; V571-T578 HydrophobicContact CG1-CG2 4.11Å; R573-T578 HydrophobicContact CB-CG2 4.49Å; T578-L593 HydrophobicContact CG2-CD1 3.7Å; T578-L593 PolarHBondContact O-N 3.36Å; T578-D595 WeakPolarHBondContact CB-OD1 3.43Å; T578-D595 PolarHBondContact N-OD1 3.32Å; T578-D595 PolarHBondContact N-OD2 2.96Å; T578-D595 PolarHBondContact OG1-OD1 2.93Å; T578-I598 HydrophobicContact CG2-CD1 4.29Å |
| 579 | E | 89.2 | Confident | 82.3 | Confident | 66 Ų | 66 | 70.7 Ų | 70.7 | 31% | 0.308 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.9 | -177.6 | -66.6 | 179.9 | 178.6 | 0 | 0 | 111.5 | V572 A590 Y591 A592 | V572-E579 PolarHBondContact N-O 3.37Å; V572-E579 PolarHBondContact O-N 3.17Å; E579-A590 HydrophobicContact CB-CB 4.22Å; E579-A590 WeakPolarHBondContact OE2-CB 3.47Å; E579-Y591 CarbonylContact C-O 3.59Å; E579-Y591 WeakPolarHBondContact CA-O 3.44Å; E579-A592 HydrophobicContact CG-CB 4.42Å |
| 580 | V | 90.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.5 | 173.1 | -175.7 | 0 | 0 | 0 | 0 | 109 | I539 L546 I568 V571 I582 A590 Y591 L593 | I539-V580 HydrophobicContact CD1-CG2 3.67Å; I539-V580 HydrophobicContact CG2-CG2 4.34Å; L546-V580 HydrophobicContact CD1-CG1 4.07Å; L546-V580 HydrophobicContact CD1-CG2 4.45Å; L546-V580 HydrophobicContact CD2-CB 4.47Å; L546-V580 HydrophobicContact CD2-CG2 4.32Å; I568-V580 HydrophobicContact CB-CG1 4.49Å; I568-V580 HydrophobicContact CD1-CG1 4.13Å; I568-V580 HydrophobicContact CG1-CG1 4.11Å; I568-V580 HydrophobicContact CG2-CG1 3.62Å; V571-V580 HydrophobicContact CG2-CG2 4.44Å; V580-I582 HydrophobicContact CG1-CG1 4.25Å; V580-A590 CarbonylContact O-C 3.57Å; V580-A590 WeakPolarHBondContact O-CA 3.4Å; V580-Y591 PolarHBondContact N-O 2.83Å; V580-Y591 PolarHBondContact O-N 3.15Å; V580-L593 HydrophobicContact CG2-CD1 3.97Å; V580-L593 HydrophobicContact CG2-CD2 3.91Å; V580-L593 HydrophobicContact CG2-CG 4.04Å |
| 581 | L | 90.7 | Very high | 82.3 | Confident | 43 Ų | 43 | 68.5 Ų | 68.5 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.5 | -179.5 | -59.4 | -177.1 | 0 | 0 | 0 | 110.3 | T569 D570 V572 T588 A590 | T569-L581 PolarHBondContact N-O 2.88Å; T569-L581 WeakPolarHBondContact OG1-CB 3.39Å; T569-L581 PolarHBondContact OG1-O 3.38Å; T569-L581 VanDerWaalsContact OG1-O 3.1Å; D570-L581 HydrophobicContact CB-CD1 4.37Å; D570-L581 PolarHBondContact O-N 3.48Å; V572-L581 HydrophobicContact CG2-CD1 3.71Å; V572-L581 HydrophobicContact CG2-CG 4.27Å; L581-T588 HydrophobicContact CB-CG2 3.86Å; L581-T588 HydrophobicContact CD2-CG2 4.28Å; L581-T588 HydrophobicContact CG-CG2 4.48Å; L581-A590 HydrophobicContact CD2-CB 3.9Å |
| 582 | I | 87.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.9 | -176.5 | -53.9 | -172.8 | 0 | 0 | 0 | 109.3 | L563 D567 I568 V580 T588 I589 Y591 | L563-I582 HydrophobicContact CD1-CD1 3.83Å; L563-I582 HydrophobicContact CD2-CD1 3.18Å; L563-I582 HydrophobicContact CG-CD1 4.07Å; D567-I582 WeakPolarHBondContact O-CA 3.44Å; I568-I582 HydrophobicContact CG1-CD1 4.44Å; I568-I582 HydrophobicContact CG1-CG1 4.27Å; V580-I582 HydrophobicContact CG1-CG1 4.25Å; I582-T588 CarbonylContact O-C 3.47Å; I582-T588 VanDerWaalsContact O-CA 3.27Å; I582-T588 WeakPolarHBondContact O-CA 3.44Å; I582-I589 PolarHBondContact N-O 3.47Å; I582-I589 PolarHBondContact O-N 3.13Å; I582-Y591 HydrophobicContact CD1-CD2 3.45Å; I582-Y591 VanDerWaalsContact CD1-CD2 3.45Å; I582-Y591 HydrophobicContact CD1-CE2 3.57Å; I582-Y591 HydrophobicContact CD1-CG 4.29Å; I582-Y591 HydrophobicContact CG1-CD2 4.03Å; I582-Y591 HydrophobicContact CG1-CE2 4.33Å |
| 583 | N | 85 | Confident | 82.2 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 34% | 0.337 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 108 | -179.5 | -172.5 | 15.5 | 0 | 0 | 0 | 111.4 | G566 D567 T569 G585 | G566-N583 WeakPolarHBondContact CA-O 3.29Å; D567-N583 PolarHBondContact N-O 3.43Å; D567-N583 PolarHBondContact O-N 3.47Å; T569-N583 HydrophobicContact CG2-CB 3.55Å; N583-G585 PolarHBondContact O-N 3.16Å; N583-G585 PolarHBondContact OD1-N 2.72Å |
| 584 | E | 81.9 | Confident | 82.1 | Confident | 72 Ų | 72 | 72 Ų | 72 | 34% | 0.336 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 47.9 | 171.1 | -68.1 | -176.4 | 175 | 0 | 0 | 110.5 | G565 V586 K587 I589 | G565-E584 WeakPolarHBondContact O-CG 3.28Å; E584-V586 VanDerWaalsContact C-N 3.29Å; E584-V586 PolarHBondContact O-N 3.18Å; E584-K587 PolarHBondContact N-O 2.82Å; E584-I589 HydrophobicContact CG-CD1 4.25Å; E584-I589 WeakPolarHBondContact OE1-CD1 3.27Å; E584-I589 VanDerWaalsContact OE2-CD1 3.31Å; E584-I589 WeakPolarHBondContact OE2-CD1 3.47Å |
| 585 | G | 72.5 | Confident | 82.5 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 65% | 0.649 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | -57.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N583 | N583-G585 PolarHBondContact O-N 3.16Å; N583-G585 PolarHBondContact OD1-N 2.72Å |
| 586 | V | 75.1 | Confident | 82.6 | Confident | 145 Ų | 145 | 60.8 Ų | 60.8 | 88% | 0.879 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -24.5 | -178.2 | -172 | 0 | 0 | 0 | 0 | 112.3 | E584 | E584-V586 VanDerWaalsContact C-N 3.29Å; E584-V586 PolarHBondContact O-N 3.18Å |
| 587 | K | 79 | Confident | 83.2 | Confident | 151 Ų | 151 | 61 Ų | 61 | 66% | 0.657 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.7 | -179.7 | -68.6 | -177.6 | -179.8 | 178.1 | 0 | 110.5 | E584 | E584-K587 PolarHBondContact N-O 2.82Å |
| 588 | T | 82.5 | Confident | 83.4 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 120.7 | 166.5 | -47.9 | 0 | 0 | 0 | 0 | 108.7 | L581 I582 | L581-T588 HydrophobicContact CB-CG2 3.86Å; L581-T588 HydrophobicContact CD2-CG2 4.28Å; L581-T588 HydrophobicContact CG-CG2 4.48Å; I582-T588 CarbonylContact O-C 3.47Å; I582-T588 VanDerWaalsContact O-CA 3.27Å; I582-T588 WeakPolarHBondContact O-CA 3.44Å |
| 589 | I | 84.4 | Confident | 83.2 | Confident | 58 Ų | 58 | 55 Ų | 55 | 30% | 0.297 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.9 | 176.7 | -57.9 | -177.8 | 0 | 0 | 0 | 108.5 | I582 E584 Y591 | I582-I589 PolarHBondContact N-O 3.47Å; I582-I589 PolarHBondContact O-N 3.13Å; E584-I589 HydrophobicContact CG-CD1 4.25Å; E584-I589 WeakPolarHBondContact OE1-CD1 3.27Å; E584-I589 VanDerWaalsContact OE2-CD1 3.31Å; E584-I589 WeakPolarHBondContact OE2-CD1 3.47Å; I589-Y591 HydrophobicContact CB-CE2 4.32Å; I589-Y591 HydrophobicContact CG2-CD2 4.07Å; I589-Y591 HydrophobicContact CG2-CE2 3.7Å |
| 590 | A | 85.6 | Confident | 83 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E579 V580 L581 | E579-A590 HydrophobicContact CB-CB 4.22Å; E579-A590 WeakPolarHBondContact OE2-CB 3.47Å; V580-A590 CarbonylContact O-C 3.57Å; V580-A590 WeakPolarHBondContact O-CA 3.4Å; L581-A590 HydrophobicContact CD2-CB 3.9Å |
| 591 | Y | 85.3 | Confident | 82.6 | Confident | 48 Ų | 48 | 53.6 Ų | 53.6 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 114 | 173 | -77.3 | -102.3 | 0 | 0 | 0 | 109.5 | I561 L563 E579 V580 I582 I589 | I561-Y591 HydrophobicContact CG2-CD1 4.34Å; I561-Y591 HydrophobicContact CG2-CE1 4.37Å; L563-Y591 HydrophobicContact CD2-CE1 4.37Å; L563-Y591 HydrophobicContact CD2-CE2 4.22Å; E579-Y591 CarbonylContact C-O 3.59Å; E579-Y591 WeakPolarHBondContact CA-O 3.44Å; V580-Y591 PolarHBondContact N-O 2.83Å; V580-Y591 PolarHBondContact O-N 3.15Å; I582-Y591 HydrophobicContact CD1-CD2 3.45Å; I582-Y591 VanDerWaalsContact CD1-CD2 3.45Å; I582-Y591 HydrophobicContact CD1-CE2 3.57Å; I582-Y591 HydrophobicContact CD1-CG 4.29Å; I582-Y591 HydrophobicContact CG1-CD2 4.03Å; I582-Y591 HydrophobicContact CG1-CE2 4.33Å; I589-Y591 HydrophobicContact CB-CE2 4.32Å; I589-Y591 HydrophobicContact CG2-CD2 4.07Å; I589-Y591 HydrophobicContact CG2-CE2 3.7Å |
| 592 | A | 85.4 | Confident | 82.2 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 58% | 0.579 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 138.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E579 | E579-A592 HydrophobicContact CG-CB 4.42Å |
| 593 | L | 85.9 | Confident | 81.9 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | trans | -96.5 | 169.3 | 176 | -57.5 | 176.8 | 0 | 0 | 0 | 111.5 | V532 I539 I548 T578 V580 D595 I598 | V532-L593 HydrophobicContact CG2-CD1 4.34Å; I539-L593 HydrophobicContact CD1-CD1 3.34Å; I539-L593 HydrophobicContact CG1-CD1 4.35Å; I548-L593 HydrophobicContact CD1-CD2 3.42Å; I548-L593 VanDerWaalsContact CD1-CD2 3.42Å; I548-L593 HydrophobicContact CG1-CD2 4.05Å; T578-L593 HydrophobicContact CG2-CD1 3.7Å; T578-L593 PolarHBondContact O-N 3.36Å; V580-L593 HydrophobicContact CG2-CD1 3.97Å; V580-L593 HydrophobicContact CG2-CD2 3.91Å; V580-L593 HydrophobicContact CG2-CG 4.04Å; L593-D595 PolarHBondContact O-N 2.85Å; L593-D595 VanDerWaalsContact O-N 3.08Å; L593-I598 HydrophobicContact CB-CD1 3.98Å; L593-I598 HydrophobicContact CD1-CD1 4.29Å | ||
| 594 | D | 82.4 | Confident | 81.8 | Confident | 69 Ų | 69 | 50.7 Ų | 50.7 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | trans | -80.6 | 87.6 | 175.5 | -168.2 | -12.6 | 0 | 0 | 0 | 110.6 | Y550 S596 L597 I598 | Y550-D594 HydrophobicContact CE1-CB 4.02Å; Y550-D594 WeakPolarHBondContact OH-CB 3.05Å; Y550-D594 PolarHBondContact OH-N 2.98Å; D594-S596 VanDerWaalsContact CG-OG 3.32Å; D594-S596 PolarHBondContact O-N 3.4Å; D594-S596 VanDerWaalsContact OD1-CB 3.25Å; D594-S596 WeakPolarHBondContact OD1-CB 3.48Å; D594-S596 PolarHBondContact OD1-N 2.89Å; D594-S596 PolarHBondContact OD1-OG 3.16Å; D594-S596 PolarHBondContact OD2-OG 3.12Å; D594-L597 HydrophobicContact CB-CD1 4.35Å; D594-L597 PolarHBondContact O-N 2.93Å; D594-I598 WeakPolarHBondContact O-CG1 3.43Å; D594-I598 PolarHBondContact O-N 3.28Å | ||
| 595 | D | 81.8 | Confident | 81.5 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.1 | -21.1 | 177.5 | -66.8 | -50.8 | 0 | 0 | 0 | 112.6 | R577 T578 L593 I598 E599 | R577-D595 VanDerWaalsContact CA-OD2 3.29Å; R577-D595 WeakPolarHBondContact CA-OD2 3.47Å; T578-D595 WeakPolarHBondContact CB-OD1 3.43Å; T578-D595 PolarHBondContact N-OD1 3.32Å; T578-D595 PolarHBondContact N-OD2 2.96Å; T578-D595 PolarHBondContact OG1-OD1 2.93Å; L593-D595 PolarHBondContact O-N 2.85Å; L593-D595 VanDerWaalsContact O-N 3.08Å; D595-I598 PolarHBondContact O-N 3.45Å; D595-E599 WeakPolarHBondContact O-CB 3.1Å; D595-E599 WeakPolarHBondContact O-CG 3.47Å; D595-E599 PolarHBondContact O-N 3.21Å |
| 596 | S | 76.1 | Confident | 81.7 | Confident | 30 Ų | 30 | 48.4 Ų | 48.4 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.8 | -41.7 | -179.5 | 76 | 0 | 0 | 0 | 0 | 112.9 | D594 F600 F615 | D594-S596 VanDerWaalsContact CG-OG 3.32Å; D594-S596 PolarHBondContact O-N 3.4Å; D594-S596 VanDerWaalsContact OD1-CB 3.25Å; D594-S596 WeakPolarHBondContact OD1-CB 3.48Å; D594-S596 PolarHBondContact OD1-N 2.89Å; D594-S596 PolarHBondContact OD1-OG 3.16Å; D594-S596 PolarHBondContact OD2-OG 3.12Å; S596-F600 WeakPolarHBondContact O-CB 3.31Å; S596-F600 PolarHBondContact O-N 3.46Å; S596-F615 VanDerWaalsContact CB-CZ 3.47Å; S596-F615 WeakPolarHBondContact O-CE1 2.9Å |
| 597 | L | 80.6 | Confident | 81.7 | Confident | 56 Ų | 56 | 43.2 Ų | 43.2 | 29% | 0.293 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.3 | -36.3 | 176.3 | -66.2 | 174.9 | 0 | 0 | 0 | 111 | Y550 D594 G601 M628 | Y550-L597 HydrophobicContact CD1-CB 3.66Å; Y550-L597 HydrophobicContact CD1-CD1 4.33Å; Y550-L597 HydrophobicContact CD2-CD1 3.82Å; Y550-L597 HydrophobicContact CE1-CB 4.21Å; Y550-L597 HydrophobicContact CE2-CD1 4.12Å; Y550-L597 HydrophobicContact CG-CB 3.87Å; Y550-L597 HydrophobicContact CG-CD1 3.94Å; D594-L597 HydrophobicContact CB-CD1 4.35Å; D594-L597 PolarHBondContact O-N 2.93Å; L597-G601 PolarHBondContact O-N 3.28Å; L597-M628 HydrophobicContact CD2-CE 3.32Å |
| 598 | I | 84 | Confident | 81.8 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -51.6 | 178 | -58.3 | 173.4 | 0 | 0 | 0 | 110 | V537 Y550 T578 L593 D594 D595 T602 | V537-I598 HydrophobicContact CG2-CG1 4.12Å; V537-I598 HydrophobicContact CG2-CG2 4.31Å; Y550-I598 HydrophobicContact CD1-CG1 3.85Å; Y550-I598 HydrophobicContact CE1-CD1 4.2Å; Y550-I598 HydrophobicContact CE1-CG1 3.77Å; T578-I598 HydrophobicContact CG2-CD1 4.29Å; L593-I598 HydrophobicContact CB-CD1 3.98Å; L593-I598 HydrophobicContact CD1-CD1 4.29Å; D594-I598 WeakPolarHBondContact O-CG1 3.43Å; D594-I598 PolarHBondContact O-N 3.28Å; D595-I598 PolarHBondContact O-N 3.45Å; I598-T602 WeakPolarHBondContact O-CB 3.23Å; I598-T602 PolarHBondContact O-N 3.11Å; I598-T602 PolarHBondContact O-OG1 2.74Å |
| 599 | E | 81.7 | Confident | 81.9 | Confident | 37 Ų | 37 | 36.2 Ų | 36.2 | 17% | 0.173 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -46.1 | -178 | -73.7 | -68.3 | 163.9 | 0 | 0 | 112.5 | R573 D595 T602 A603 R611 F615 | R573-E599 IonicContact CZ-OE1 3.6Å; R573-E599 IonicContact NH2-OE1 3.57Å; R573-E599 PolarHBondContact NH2-OE1 2.86Å; R573-E599 IonicContact NH2-OE2 3.49Å; D595-E599 WeakPolarHBondContact O-CB 3.1Å; D595-E599 WeakPolarHBondContact O-CG 3.47Å; D595-E599 PolarHBondContact O-N 3.21Å; E599-T602 PolarHBondContact O-N 2.79Å; E599-A603 WeakPolarHBondContact O-CB 3.29Å; E599-A603 PolarHBondContact O-N 3.25Å; E599-R611 IonicContact OE1-NH2 3.33Å; E599-R611 IonicContact OE2-CZ 3.73Å; E599-R611 IonicContact OE2-NE 2.77Å; E599-R611 PolarHBondContact OE2-NE 3.5Å; E599-R611 IonicContact OE2-NH2 2.74Å; E599-R611 PolarHBondContact OE2-NH2 3.32Å; E599-F615 HydrophobicContact CB-CD2 4.16Å; E599-F615 HydrophobicContact CB-CE2 4.24Å; E599-F615 HydrophobicContact CB-CG 4.43Å |
| 600 | F | 85.1 | Confident | 81.9 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 177.8 | 176.5 | -102 | 0 | 0 | 0 | 111.9 | S596 A603 M604 A612 F615 L616 M628 | S596-F600 WeakPolarHBondContact O-CB 3.31Å; S596-F600 PolarHBondContact O-N 3.46Å; F600-A603 PolarHBondContact O-N 3.11Å; F600-M604 HydrophobicContact CD1-CG 4.39Å; F600-M604 HydrophobicContact CD2-CG 4.28Å; F600-M604 HydrophobicContact CE1-CG 3.93Å; F600-M604 HydrophobicContact CE2-CG 3.79Å; F600-M604 HydrophobicContact CE2-SD 4.04Å; F600-M604 HydrophobicContact CZ-CG 3.6Å; F600-M604 HydrophobicContact CZ-SD 3.95Å; F600-M604 WeakPolarHBondContact O-CB 3.35Å; F600-M604 VanDerWaalsContact O-CG 3.26Å; F600-M604 WeakPolarHBondContact O-CG 3.4Å; F600-M604 PolarHBondContact O-N 2.94Å; F600-A612 HydrophobicContact CD2-CB 4.31Å; F600-A612 HydrophobicContact CE2-CB 4.31Å; F600-F615 HydrophobicContact CB-CD1 4.05Å; F600-F615 HydrophobicContact CB-CE1 4.26Å; F600-L616 HydrophobicContact CD2-CD1 4.08Å; F600-L616 HydrophobicContact CD2-CD2 3.94Å; F600-L616 HydrophobicContact CD2-CG 3.9Å; F600-L616 HydrophobicContact CE2-CD1 3.64Å; F600-L616 HydrophobicContact CE2-CD2 4.22Å; F600-L616 HydrophobicContact CE2-CG 4.01Å; F600-M628 HydrophobicContact CB-SD 4.48Å; F600-M628 HydrophobicContact CD1-CB 4.27Å; F600-M628 HydrophobicContact CD1-CG 3.84Å; F600-M628 HydrophobicContact CD1-SD 3.91Å; F600-M628 HydrophobicContact CD2-CB 4.39Å; F600-M628 HydrophobicContact CD2-SD 4.49Å; F600-M628 HydrophobicContact CE1-CB 3.74Å; F600-M628 HydrophobicContact CE1-CG 3.61Å; F600-M628 HydrophobicContact CE1-SD 4.3Å; F600-M628 HydrophobicContact CE2-CB 3.89Å; F600-M628 HydrophobicContact CE2-CG 4.49Å; F600-M628 HydrophobicContact CG-CG 4.37Å; F600-M628 HydrophobicContact CG-SD 4.02Å; F600-M628 HydrophobicContact CZ-CB 3.54Å; F600-M628 HydrophobicContact CZ-CG 3.98Å |
| 601 | G | 81.5 | Confident | 81.8 | Confident | 19 Ų | 19 | 42 Ų | 42 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -48 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L597 A603 M604 D605 | L597-G601 PolarHBondContact O-N 3.28Å; G601-A603 PolarHBondContact O-N 3.39Å; G601-M604 PolarHBondContact O-N 3.45Å; G601-D605 VanDerWaalsContact O-CG 3.29Å; G601-D605 PolarHBondContact O-N 3.09Å |
| 602 | T | 82.1 | Confident | 81.8 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | R448 Q534 S535 I598 E599 D605 D606 | R448-T602 PolarHBondContact NH2-O 3.22Å; Q534-T602 VanDerWaalsContact O-CG2 3.28Å; Q534-T602 WeakPolarHBondContact O-CG2 3.47Å; S535-T602 WeakPolarHBondContact CB-OG1 3.4Å; I598-T602 WeakPolarHBondContact O-CB 3.23Å; I598-T602 PolarHBondContact O-N 3.11Å; I598-T602 PolarHBondContact O-OG1 2.74Å; E599-T602 PolarHBondContact O-N 2.79Å; T602-D605 PolarHBondContact O-N 2.75Å; T602-D606 WeakPolarHBondContact O-CB 3.28Å; T602-D606 PolarHBondContact O-N 3.47Å |
| 603 | A | 82.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | E599 F600 G601 G607 D608 R611 A612 | E599-A603 WeakPolarHBondContact O-CB 3.29Å; E599-A603 PolarHBondContact O-N 3.25Å; F600-A603 PolarHBondContact O-N 3.11Å; G601-A603 PolarHBondContact O-N 3.39Å; A603-G607 PolarHBondContact O-N 2.84Å; A603-D608 PolarHBondContact O-N 3.04Å; A603-R611 HydrophobicContact CB-CB 4.1Å; A603-R611 HydrophobicContact CB-CG 4.01Å; A603-A612 HydrophobicContact CB-CB 3.99Å |
| 604 | M | 82.9 | Confident | 81.7 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 21% | 0.212 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 174.8 | -72.8 | -67.5 | -60.6 | 0 | 0 | 111.6 | F600 G601 G607 L609 A612 L632 A635 | F600-M604 HydrophobicContact CD1-CG 4.39Å; F600-M604 HydrophobicContact CD2-CG 4.28Å; F600-M604 HydrophobicContact CE1-CG 3.93Å; F600-M604 HydrophobicContact CE2-CG 3.79Å; F600-M604 HydrophobicContact CE2-SD 4.04Å; F600-M604 HydrophobicContact CZ-CG 3.6Å; F600-M604 HydrophobicContact CZ-SD 3.95Å; F600-M604 WeakPolarHBondContact O-CB 3.35Å; F600-M604 VanDerWaalsContact O-CG 3.26Å; F600-M604 WeakPolarHBondContact O-CG 3.4Å; F600-M604 PolarHBondContact O-N 2.94Å; G601-M604 PolarHBondContact O-N 3.45Å; M604-G607 PolarHBondContact O-N 2.95Å; M604-L609 HydrophobicContact SD-CD2 4.37Å; M604-A612 HydrophobicContact SD-CB 4.31Å; M604-L632 HydrophobicContact SD-CB 4.4Å; M604-L632 HydrophobicContact SD-CD1 3.82Å; M604-A635 HydrophobicContact CE-CB 3.8Å |
| 605 | D | 75.9 | Confident | 81.6 | Confident | 60 Ų | 60 | 38.5 Ų | 38.5 | 32% | 0.321 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -69.5 | -36.3 | 179.9 | -68.1 | -20.6 | 0 | 0 | 0 | 112.5 | G601 T602 G607 | G601-D605 VanDerWaalsContact O-CG 3.29Å; G601-D605 PolarHBondContact O-N 3.09Å; T602-D605 PolarHBondContact O-N 2.75Å; D605-G607 PolarHBondContact O-N 3.33Å |
| 606 | D | 76.6 | Confident | 81.8 | Confident | 27 Ų | 27 | 36.9 Ų | 36.9 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9 | 174.6 | -73.3 | -19.3 | 0 | 0 | 0 | 112.9 | R448 S451 T602 D608 | R448-D606 IonicContact CZ-OD1 2.77Å; R448-D606 IonicContact CZ-OD2 3.8Å; R448-D606 VanDerWaalsContact NE-CG 3.28Å; R448-D606 IonicContact NE-OD1 3.54Å; R448-D606 PolarHBondContact NE-OD1 3.4Å; R448-D606 IonicContact NE-OD2 2.79Å; R448-D606 PolarHBondContact NE-OD2 2.98Å; R448-D606 IonicContact NH2-OD1 2.76Å; R448-D606 PolarHBondContact NH2-OD1 3.23Å; R448-D606 IonicContact NH2-OD2 3.62Å; R448-D606 PolarHBondContact NH2-OD2 3.36Å; S451-D606 WeakPolarHBondContact CA-O 3.44Å; S451-D606 PolarHBondContact N-O 2.89Å; T602-D606 WeakPolarHBondContact O-CB 3.28Å; T602-D606 PolarHBondContact O-N 3.47Å; D606-D608 PolarHBondContact O-N 3.13Å |
| 607 | G | 74.9 | Confident | 82.2 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 37% | 0.371 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 12.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | A603 M604 D605 L609 | A603-G607 PolarHBondContact O-N 2.84Å; M604-G607 PolarHBondContact O-N 2.95Å; D605-G607 PolarHBondContact O-N 3.33Å; G607-L609 VanDerWaalsContact C-N 3.3Å; G607-L609 PolarHBondContact O-N 2.83Å |
| 608 | D | 80.7 | Confident | 82.3 | Confident | 72 Ų | 72 | 42.8 Ų | 42.8 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | trans | -84.5 | 75.7 | 176.8 | -167.7 | -15.6 | 0 | 0 | 0 | 109.8 | A603 D606 E610 R611 A612 | A603-D608 PolarHBondContact O-N 3.04Å; D606-D608 PolarHBondContact O-N 3.13Å; D608-E610 PolarHBondContact O-N 3.48Å; D608-E610 PolarHBondContact OD1-N 3.31Å; D608-R611 HydrophobicContact CB-CB 4.08Å; D608-R611 VanDerWaalsContact CG-CB 3.45Å; D608-R611 PolarHBondContact O-N 3.04Å; D608-R611 PolarHBondContact OD1-N 3.49Å; D608-A612 PolarHBondContact O-N 2.83Å | ||
| 609 | L | 85 | Confident | 82.1 | Confident | 22 Ų | 22 | 45.6 Ų | 45.6 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -26.1 | -177.2 | -54.9 | -178.4 | 0 | 0 | 0 | 112.2 | M604 G607 A612 V613 L632 A639 V644 | M604-L609 HydrophobicContact SD-CD2 4.37Å; G607-L609 VanDerWaalsContact C-N 3.3Å; G607-L609 PolarHBondContact O-N 2.83Å; L609-A612 PolarHBondContact O-N 3.01Å; L609-V613 WeakPolarHBondContact O-CG2 3.36Å; L609-V613 PolarHBondContact O-N 3.16Å; L609-L632 HydrophobicContact CB-CD1 4.12Å; L609-L632 HydrophobicContact CD2-CD1 3.89Å; L609-A639 HydrophobicContact CD1-CB 4.13Å; L609-V644 HydrophobicContact CB-CG1 4.38Å |
| 610 | E | 83.8 | Confident | 81.9 | Confident | 139 Ų | 139 | 51.9 Ų | 51.9 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -72.6 | -42.8 | 177.7 | -66.9 | -176.6 | 179.8 | 0 | 0 | 111.1 | D608 A612 V613 S614 | D608-E610 PolarHBondContact O-N 3.48Å; D608-E610 PolarHBondContact OD1-N 3.31Å; E610-A612 VanDerWaalsContact C-N 3.28Å; E610-A612 PolarHBondContact O-N 2.94Å; E610-V613 PolarHBondContact O-N 3.23Å; E610-S614 PolarHBondContact O-N 2.79Å |
| 611 | R | 83.4 | Confident | 81.6 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 171.3 | -175.7 | 178.9 | 177.8 | 175.3 | 2 | 111.1 | E599 A603 D608 S614 F615 | E599-R611 IonicContact OE1-NH2 3.33Å; E599-R611 IonicContact OE2-CZ 3.73Å; E599-R611 IonicContact OE2-NE 2.77Å; E599-R611 PolarHBondContact OE2-NE 3.5Å; E599-R611 IonicContact OE2-NH2 2.74Å; E599-R611 PolarHBondContact OE2-NH2 3.32Å; A603-R611 HydrophobicContact CB-CB 4.1Å; A603-R611 HydrophobicContact CB-CG 4.01Å; D608-R611 HydrophobicContact CB-CB 4.08Å; D608-R611 VanDerWaalsContact CG-CB 3.45Å; D608-R611 PolarHBondContact O-N 3.04Å; D608-R611 PolarHBondContact OD1-N 3.49Å; R611-S614 PolarHBondContact O-N 3.2Å; R611-S614 PolarHBondContact O-OG 3.39Å; R611-F615 WeakPolarHBondContact O-CB 3.22Å; R611-F615 PolarHBondContact O-N 2.81Å |
| 612 | A | 85 | Confident | 81.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | F600 A603 M604 D608 L609 E610 F615 L616 L632 | F600-A612 HydrophobicContact CD2-CB 4.31Å; F600-A612 HydrophobicContact CE2-CB 4.31Å; A603-A612 HydrophobicContact CB-CB 3.99Å; M604-A612 HydrophobicContact SD-CB 4.31Å; D608-A612 PolarHBondContact O-N 2.83Å; L609-A612 PolarHBondContact O-N 3.01Å; E610-A612 VanDerWaalsContact C-N 3.28Å; E610-A612 PolarHBondContact O-N 2.94Å; A612-F615 PolarHBondContact O-N 3.38Å; A612-L616 WeakPolarHBondContact O-CG 3.09Å; A612-L616 PolarHBondContact O-N 3.3Å; A612-L632 HydrophobicContact CB-CD1 4.06Å; A612-L632 HydrophobicContact CB-CD2 4.33Å |
| 613 | V | 85.4 | Confident | 81.4 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -52.7 | 173.1 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | L609 E610 F615 L616 E617 W629 L632 V644 | L609-V613 WeakPolarHBondContact O-CG2 3.36Å; L609-V613 PolarHBondContact O-N 3.16Å; E610-V613 PolarHBondContact O-N 3.23Å; V613-F615 PolarHBondContact O-N 3.4Å; V613-F615 VanDerWaalsContact O-N 3.14Å; V613-L616 PolarHBondContact O-N 2.79Å; V613-L616 VanDerWaalsContact O-N 3.11Å; V613-E617 HydrophobicContact CG1-CG 4.02Å; V613-E617 WeakPolarHBondContact O-CB 3.42Å; V613-E617 WeakPolarHBondContact O-CG 3.49Å; V613-E617 PolarHBondContact O-N 2.85Å; V613-W629 HydrophobicContact CG1-CH2 4.21Å; V613-W629 HydrophobicContact CG2-CZ3 4.42Å; V613-L632 HydrophobicContact CG2-CD2 3.71Å; V613-V644 HydrophobicContact CG2-CB 4.49Å; V613-V644 HydrophobicContact CG2-CG1 3.61Å; V613-V644 HydrophobicContact CG2-CG2 4.28Å |
| 614 | S | 84.3 | Confident | 80.9 | Confident | 73 Ų | 73 | 67 Ų | 67 | 51% | 0.51 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.5 | -33.9 | -177.1 | 71.8 | 0 | 0 | 0 | 0 | 112.2 | E610 R611 | E610-S614 PolarHBondContact O-N 2.79Å; R611-S614 PolarHBondContact O-N 3.2Å; R611-S614 PolarHBondContact O-OG 3.39Å |
| 615 | F | 81.4 | Confident | 80.8 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 18% | 0.18 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73.7 | -49.7 | 176.1 | -175.7 | -100.1 | 0 | 0 | 0 | 112 | S596 E599 F600 R611 A612 V613 E617 S618 L619 | S596-F615 VanDerWaalsContact CB-CZ 3.47Å; S596-F615 WeakPolarHBondContact O-CE1 2.9Å; E599-F615 HydrophobicContact CB-CD2 4.16Å; E599-F615 HydrophobicContact CB-CE2 4.24Å; E599-F615 HydrophobicContact CB-CG 4.43Å; F600-F615 HydrophobicContact CB-CD1 4.05Å; F600-F615 HydrophobicContact CB-CE1 4.26Å; R611-F615 WeakPolarHBondContact O-CB 3.22Å; R611-F615 PolarHBondContact O-N 2.81Å; A612-F615 PolarHBondContact O-N 3.38Å; V613-F615 PolarHBondContact O-N 3.4Å; V613-F615 VanDerWaalsContact O-N 3.14Å; F615-E617 VanDerWaalsContact C-N 3.29Å; F615-E617 PolarHBondContact O-N 3.44Å; F615-S618 WeakPolarHBondContact O-CB 3.4Å; F615-S618 PolarHBondContact O-N 2.8Å; F615-S618 PolarHBondContact O-OG 2.9Å; F615-L619 HydrophobicContact CD1-CD1 4.16Å; F615-L619 HydrophobicContact CE1-CD1 3.38Å; F615-L619 HydrophobicContact CE1-CG 4.17Å; F615-L619 HydrophobicContact CZ-CD1 3.7Å; F615-L619 HydrophobicContact CZ-CD2 4.29Å; F615-L619 HydrophobicContact CZ-CG 4.13Å |
| 616 | L | 84.6 | Confident | 81.1 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.8 | -29.2 | 179.5 | -71.6 | -178.3 | 0 | 0 | 0 | 113.4 | F600 A612 V613 S618 L619 M628 W629 L632 | F600-L616 HydrophobicContact CD2-CD1 4.08Å; F600-L616 HydrophobicContact CD2-CD2 3.94Å; F600-L616 HydrophobicContact CD2-CG 3.9Å; F600-L616 HydrophobicContact CE2-CD1 3.64Å; F600-L616 HydrophobicContact CE2-CD2 4.22Å; F600-L616 HydrophobicContact CE2-CG 4.01Å; A612-L616 WeakPolarHBondContact O-CG 3.09Å; A612-L616 PolarHBondContact O-N 3.3Å; V613-L616 PolarHBondContact O-N 2.79Å; V613-L616 VanDerWaalsContact O-N 3.11Å; L616-S618 VanDerWaalsContact C-N 3.27Å; L616-L619 PolarHBondContact O-N 2.96Å; L616-M628 HydrophobicContact CD1-CB 4Å; L616-M628 HydrophobicContact CD2-CB 3.66Å; L616-M628 HydrophobicContact CD2-CG 4.33Å; L616-M628 HydrophobicContact CD2-SD 3.68Å; L616-M628 HydrophobicContact CG-CB 4.49Å; L616-W629 HydrophobicContact CB-CD2 4.14Å; L616-W629 HydrophobicContact CB-CH2 3.95Å; L616-W629 HydrophobicContact CB-CZ2 3.4Å; L616-W629 VanDerWaalsContact CB-CZ2 3.4Å; L616-W629 HydrophobicContact CD1-CD2 3.69Å; L616-W629 HydrophobicContact CD1-CE3 3.95Å; L616-W629 HydrophobicContact CD1-CG 3.98Å; L616-W629 HydrophobicContact CD1-CZ2 4.43Å; L616-W629 HydrophobicContact CD1-CZ3 4.42Å; L616-L632 HydrophobicContact CD1-CD2 3.85Å |
| 617 | E | 84.1 | Confident | 81.4 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 58% | 0.584 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.6 | -26.2 | 172.9 | -74 | -175 | 161.9 | 0 | 0 | 112.5 | V613 F615 L619 W629 | V613-E617 HydrophobicContact CG1-CG 4.02Å; V613-E617 WeakPolarHBondContact O-CB 3.42Å; V613-E617 WeakPolarHBondContact O-CG 3.49Å; V613-E617 PolarHBondContact O-N 2.85Å; F615-E617 VanDerWaalsContact C-N 3.29Å; F615-E617 PolarHBondContact O-N 3.44Å; E617-L619 VanDerWaalsContact C-N 3.27Å; E617-L619 PolarHBondContact O-N 2.84Å; E617-W629 HydrophobicContact CG-CH2 3.87Å; E617-W629 HydrophobicContact CG-CZ2 4.03Å |
| 618 | S | 82.9 | Confident | 81.9 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -13.4 | 176.2 | 78.2 | 0 | 0 | 0 | 0 | 113.6 | F615 L616 | F615-S618 WeakPolarHBondContact O-CB 3.4Å; F615-S618 PolarHBondContact O-N 2.8Å; F615-S618 PolarHBondContact O-OG 2.9Å; L616-S618 VanDerWaalsContact C-N 3.27Å |
| 619 | L | 80.7 | Confident | 82.2 | Confident | 59 Ų | 59 | 66 Ų | 66 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -103.4 | 150.5 | -176.8 | -64.3 | 179.3 | 0 | 0 | 0 | 112.6 | F615 L616 E617 T625 | F615-L619 HydrophobicContact CD1-CD1 4.16Å; F615-L619 HydrophobicContact CE1-CD1 3.38Å; F615-L619 HydrophobicContact CE1-CG 4.17Å; F615-L619 HydrophobicContact CZ-CD1 3.7Å; F615-L619 HydrophobicContact CZ-CD2 4.29Å; F615-L619 HydrophobicContact CZ-CG 4.13Å; L616-L619 PolarHBondContact O-N 2.96Å; E617-L619 VanDerWaalsContact C-N 3.27Å; E617-L619 PolarHBondContact O-N 2.84Å; L619-T625 HydrophobicContact CB-CG2 4.05Å; L619-T625 HydrophobicContact CD1-CG2 4.05Å |
| 620 | E | 77.8 | Confident | 82.3 | Confident | 169 Ų | 169 | 67.4 Ų | 67.4 | 79% | 0.79 | 36% | 0.358 | S | S | * | . | trans | -69.1 | 148.9 | 172.1 | -66.7 | -173.7 | 173.8 | 0 | 0 | 112 | T622 T625 | E620-T622 PolarHBondContact O-N 2.84Å; E620-T625 WeakPolarHBondContact O-CG2 3.49Å; E620-T625 PolarHBondContact O-OG1 3.06Å | ||
| 621 | V | 77.6 | Confident | 82.4 | Confident | 87 Ų | 87 | 66.2 Ų | 66.2 | 53% | 0.527 | 35% | 0.35 | S | S | . | . | trans | -76.1 | 82.2 | -177.8 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | T625 K626 | V621-T625 VanDerWaalsContact CA-OG1 3.29Å; V621-T625 WeakPolarHBondContact CA-OG1 3.38Å; V621-K626 HydrophobicContact CG1-CD 4.18Å; V621-K626 HydrophobicContact CG1-CG 3.56Å | ||
| 622 | T | 81.4 | Confident | 82.6 | Confident | 53 Ų | 53 | 62 Ų | 62 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | trans | -86.8 | 163.9 | 172 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | E620 E624 T625 K626 | E620-T622 PolarHBondContact O-N 2.84Å; T622-E624 WeakPolarHBondContact CB-OE2 3.5Å; T622-E624 PolarHBondContact O-N 2.92Å; T622-T625 PolarHBondContact N-OG1 2.89Å; T622-T625 PolarHBondContact O-N 2.96Å; T622-T625 PolarHBondContact O-OG1 3.4Å; T622-T625 VanDerWaalsContact OG1-CG2 3.29Å; T622-T625 WeakPolarHBondContact OG1-CG2 3.25Å; T622-T625 PolarHBondContact OG1-N 3.16Å; T622-T625 VanDerWaalsContact OG1-N 3.13Å; T622-T625 PolarHBondContact OG1-OG1 2.81Å; T622-K626 WeakPolarHBondContact O-CG 3.44Å; T622-K626 PolarHBondContact O-N 2.77Å | ||
| 623 | P | 78.8 | Confident | 82.7 | Confident | 97 Ų | 97 | 62 Ų | 62 | 63% | 0.63 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.7 | -32.1 | 173 | 20.7 | -29.9 | 0 | 0 | 0 | 112.8 | S627 | P623-S627 PolarHBondContact O-N 3.37Å; P623-S627 VanDerWaalsContact O-N 3.11Å |
| 624 | E | 72 | Confident | 82.7 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65.5 | -50 | 173.7 | -62.8 | 72.6 | -156.9 | 0 | 0 | 111 | T622 K626 S627 M628 | T622-E624 WeakPolarHBondContact CB-OE2 3.5Å; T622-E624 PolarHBondContact O-N 2.92Å; E624-K626 VanDerWaalsContact C-N 3.33Å; E624-K626 PolarHBondContact O-N 3.18Å; E624-S627 VanDerWaalsContact O-CB 3.3Å; E624-S627 WeakPolarHBondContact O-CB 3.33Å; E624-S627 PolarHBondContact O-N 3.08Å; E624-S627 VanDerWaalsContact O-N 3.1Å; E624-M628 WeakPolarHBondContact O-CG 3.48Å; E624-M628 PolarHBondContact O-N 3.34Å |
| 625 | T | 80.9 | Confident | 82.7 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.5 | -32.6 | 177.9 | 66 | 0 | 0 | 0 | 0 | 112 | L619 E620 V621 T622 S627 M628 W629 | L619-T625 HydrophobicContact CB-CG2 4.05Å; L619-T625 HydrophobicContact CD1-CG2 4.05Å; E620-T625 WeakPolarHBondContact O-CG2 3.49Å; E620-T625 PolarHBondContact O-OG1 3.06Å; V621-T625 VanDerWaalsContact CA-OG1 3.29Å; V621-T625 WeakPolarHBondContact CA-OG1 3.38Å; T622-T625 PolarHBondContact N-OG1 2.89Å; T622-T625 PolarHBondContact O-N 2.96Å; T622-T625 PolarHBondContact O-OG1 3.4Å; T622-T625 VanDerWaalsContact OG1-CG2 3.29Å; T622-T625 WeakPolarHBondContact OG1-CG2 3.25Å; T622-T625 PolarHBondContact OG1-N 3.16Å; T622-T625 VanDerWaalsContact OG1-N 3.13Å; T622-T625 PolarHBondContact OG1-OG1 2.81Å; T625-S627 VanDerWaalsContact C-N 3.28Å; T625-S627 PolarHBondContact O-N 3.45Å; T625-M628 CarbonylContact O-C 3.6Å; T625-M628 WeakPolarHBondContact O-CB 3.5Å; T625-M628 PolarHBondContact O-N 3.14Å; T625-M628 VanDerWaalsContact O-N 3.14Å; T625-W629 WeakPolarHBondContact O-CB 3.48Å; T625-W629 PolarHBondContact O-N 3.48Å |
| 626 | K | 82.8 | Confident | 82.9 | Confident | 112 Ų | 112 | 62.2 Ų | 62.2 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 170.6 | -75.2 | -178.2 | -176.3 | -178.2 | 0 | 111.8 | V621 T622 E624 T630 L652 | V621-K626 HydrophobicContact CG1-CD 4.18Å; V621-K626 HydrophobicContact CG1-CG 3.56Å; T622-K626 WeakPolarHBondContact O-CG 3.44Å; T622-K626 PolarHBondContact O-N 2.77Å; E624-K626 VanDerWaalsContact C-N 3.33Å; E624-K626 PolarHBondContact O-N 3.18Å; K626-T630 WeakPolarHBondContact O-CB 3.47Å; K626-T630 PolarHBondContact O-N 3.33Å; K626-T630 PolarHBondContact O-OG1 2.89Å; K626-L652 HydrophobicContact CB-CD2 4.46Å; K626-L652 WeakPolarHBondContact O-CD2 3.08Å |
| 627 | S | 82.3 | Confident | 82.9 | Confident | 66 Ų | 66 | 62.4 Ų | 62.4 | 46% | 0.462 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 173.7 | -169.5 | 0 | 0 | 0 | 0 | 111.3 | P623 E624 T625 T630 K631 | P623-S627 PolarHBondContact O-N 3.37Å; P623-S627 VanDerWaalsContact O-N 3.11Å; E624-S627 VanDerWaalsContact O-CB 3.3Å; E624-S627 WeakPolarHBondContact O-CB 3.33Å; E624-S627 PolarHBondContact O-N 3.08Å; E624-S627 VanDerWaalsContact O-N 3.1Å; T625-S627 VanDerWaalsContact C-N 3.28Å; T625-S627 PolarHBondContact O-N 3.45Å; S627-T630 WeakPolarHBondContact O-CB 3.38Å; S627-T630 PolarHBondContact O-N 3.01Å; S627-K631 PolarHBondContact O-N 3.37Å |
| 628 | M | 84.4 | Confident | 82.7 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 11% | 0.108 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 175.7 | -63.5 | 175.7 | -171.6 | 0 | 0 | 112.4 | L597 F600 L616 E624 T625 T630 K631 L632 | L597-M628 HydrophobicContact CD2-CE 3.32Å; F600-M628 HydrophobicContact CB-SD 4.48Å; F600-M628 HydrophobicContact CD1-CB 4.27Å; F600-M628 HydrophobicContact CD1-CG 3.84Å; F600-M628 HydrophobicContact CD1-SD 3.91Å; F600-M628 HydrophobicContact CD2-CB 4.39Å; F600-M628 HydrophobicContact CD2-SD 4.49Å; F600-M628 HydrophobicContact CE1-CB 3.74Å; F600-M628 HydrophobicContact CE1-CG 3.61Å; F600-M628 HydrophobicContact CE1-SD 4.3Å; F600-M628 HydrophobicContact CE2-CB 3.89Å; F600-M628 HydrophobicContact CE2-CG 4.49Å; F600-M628 HydrophobicContact CG-CG 4.37Å; F600-M628 HydrophobicContact CG-SD 4.02Å; F600-M628 HydrophobicContact CZ-CB 3.54Å; F600-M628 HydrophobicContact CZ-CG 3.98Å; L616-M628 HydrophobicContact CD1-CB 4Å; L616-M628 HydrophobicContact CD2-CB 3.66Å; L616-M628 HydrophobicContact CD2-CG 4.33Å; L616-M628 HydrophobicContact CD2-SD 3.68Å; L616-M628 HydrophobicContact CG-CB 4.49Å; E624-M628 WeakPolarHBondContact O-CG 3.48Å; E624-M628 PolarHBondContact O-N 3.34Å; T625-M628 CarbonylContact O-C 3.6Å; T625-M628 WeakPolarHBondContact O-CB 3.5Å; T625-M628 PolarHBondContact O-N 3.14Å; T625-M628 VanDerWaalsContact O-N 3.14Å; M628-T630 VanDerWaalsContact C-N 3.25Å; M628-T630 PolarHBondContact O-N 3.4Å; M628-K631 PolarHBondContact O-N 2.9Å; M628-K631 VanDerWaalsContact O-N 3.16Å; M628-L632 WeakPolarHBondContact O-CB 3.15Å; M628-L632 PolarHBondContact O-N 3.04Å |
| 629 | W | 88 | Confident | 82.5 | Confident | 11 Ų | 11 | 64 Ų | 64 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.6 | -36.1 | 173.7 | -81.2 | 116.1 | 0 | 0 | 0 | 112.4 | V613 L616 E617 T625 L632 G633 L652 | V613-W629 HydrophobicContact CG1-CH2 4.21Å; V613-W629 HydrophobicContact CG2-CZ3 4.42Å; L616-W629 HydrophobicContact CB-CD2 4.14Å; L616-W629 HydrophobicContact CB-CH2 3.95Å; L616-W629 HydrophobicContact CB-CZ2 3.4Å; L616-W629 VanDerWaalsContact CB-CZ2 3.4Å; L616-W629 HydrophobicContact CD1-CD2 3.69Å; L616-W629 HydrophobicContact CD1-CE3 3.95Å; L616-W629 HydrophobicContact CD1-CG 3.98Å; L616-W629 HydrophobicContact CD1-CZ2 4.43Å; L616-W629 HydrophobicContact CD1-CZ3 4.42Å; E617-W629 HydrophobicContact CG-CH2 3.87Å; E617-W629 HydrophobicContact CG-CZ2 4.03Å; T625-W629 WeakPolarHBondContact O-CB 3.48Å; T625-W629 PolarHBondContact O-N 3.48Å; W629-L632 HydrophobicContact CE3-CD2 4.01Å; W629-L632 HydrophobicContact CZ3-CD2 3.94Å; W629-G633 PolarHBondContact O-N 3Å; W629-L652 HydrophobicContact CB-CD2 3.75Å; W629-L652 HydrophobicContact CB-CG 4.06Å |
| 630 | T | 86.6 | Confident | 82.3 | Confident | 52 Ų | 52 | 63.3 Ų | 63.3 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 175.5 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | K626 S627 M628 G633 F634 L652 | K626-T630 WeakPolarHBondContact O-CB 3.47Å; K626-T630 PolarHBondContact O-N 3.33Å; K626-T630 PolarHBondContact O-OG1 2.89Å; S627-T630 WeakPolarHBondContact O-CB 3.38Å; S627-T630 PolarHBondContact O-N 3.01Å; M628-T630 VanDerWaalsContact C-N 3.25Å; M628-T630 PolarHBondContact O-N 3.4Å; T630-G633 PolarHBondContact O-N 3.25Å; T630-F634 HydrophobicContact CG2-CD2 3.88Å; T630-F634 HydrophobicContact CG2-CE2 3.67Å; T630-F634 VanDerWaalsContact O-CD2 3.23Å; T630-F634 WeakPolarHBondContact O-CD2 3.17Å; T630-F634 PolarHBondContact O-N 2.85Å; T630-F634 VanDerWaalsContact O-N 3.11Å; T630-L652 WeakPolarHBondContact OG1-CD2 3.42Å |
| 631 | K | 85.1 | Confident | 82.5 | Confident | 113 Ų | 113 | 57.5 Ų | 57.5 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 175.5 | -73.3 | -177.4 | 176 | -169.6 | 0 | 111.5 | S627 M628 G633 F634 A635 | S627-K631 PolarHBondContact O-N 3.37Å; M628-K631 PolarHBondContact O-N 2.9Å; M628-K631 VanDerWaalsContact O-N 3.16Å; K631-G633 VanDerWaalsContact C-N 3.34Å; K631-G633 PolarHBondContact O-N 3.15Å; K631-F634 PolarHBondContact O-N 3.23Å; K631-A635 WeakPolarHBondContact O-CB 3.39Å; K631-A635 PolarHBondContact O-N 2.8Å |
| 632 | L | 88.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 176.7 | -178.4 | 60.5 | 0 | 0 | 0 | 112 | M604 L609 A612 V613 L616 M628 W629 F634 A635 S636 V644 | M604-L632 HydrophobicContact SD-CB 4.4Å; M604-L632 HydrophobicContact SD-CD1 3.82Å; L609-L632 HydrophobicContact CB-CD1 4.12Å; L609-L632 HydrophobicContact CD2-CD1 3.89Å; A612-L632 HydrophobicContact CB-CD1 4.06Å; A612-L632 HydrophobicContact CB-CD2 4.33Å; V613-L632 HydrophobicContact CG2-CD2 3.71Å; L616-L632 HydrophobicContact CD1-CD2 3.85Å; M628-L632 WeakPolarHBondContact O-CB 3.15Å; M628-L632 PolarHBondContact O-N 3.04Å; W629-L632 HydrophobicContact CE3-CD2 4.01Å; W629-L632 HydrophobicContact CZ3-CD2 3.94Å; L632-F634 PolarHBondContact O-N 2.96Å; L632-A635 PolarHBondContact O-N 2.82Å; L632-S636 VanDerWaalsContact O-CB 3.26Å; L632-S636 WeakPolarHBondContact O-CB 3.34Å; L632-S636 PolarHBondContact O-N 3.44Å; L632-S636 PolarHBondContact O-OG 3.45Å; L632-V644 HydrophobicContact CD1-CG1 4.12Å; L632-V644 HydrophobicContact CD2-CG1 4.45Å; L632-V644 HydrophobicContact CG-CG1 4.13Å |
| 633 | G | 87.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | W629 T630 K631 S636 L637 S645 | W629-G633 PolarHBondContact O-N 3Å; T630-G633 PolarHBondContact O-N 3.25Å; K631-G633 VanDerWaalsContact C-N 3.34Å; K631-G633 PolarHBondContact O-N 3.15Å; G633-S636 WeakPolarHBondContact CA-OG 3.39Å; G633-S636 PolarHBondContact O-OG 2.98Å; G633-L637 WeakPolarHBondContact O-CB 3.29Å; G633-L637 PolarHBondContact O-N 3.14Å; G633-S645 PolarHBondContact O-OG 3.45Å |
| 634 | F | 85.4 | Confident | 83.5 | Confident | 97 Ų | 97 | 51.6 Ų | 51.6 | 43% | 0.425 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -77 | -40.3 | 174.7 | -76.7 | -67.3 | 0 | 0 | 0 | 112.8 | T630 K631 L632 L637 K638 | T630-F634 HydrophobicContact CG2-CD2 3.88Å; T630-F634 HydrophobicContact CG2-CE2 3.67Å; T630-F634 VanDerWaalsContact O-CD2 3.23Å; T630-F634 WeakPolarHBondContact O-CD2 3.17Å; T630-F634 PolarHBondContact O-N 2.85Å; T630-F634 VanDerWaalsContact O-N 3.11Å; K631-F634 PolarHBondContact O-N 3.23Å; L632-F634 PolarHBondContact O-N 2.96Å; F634-L637 PolarHBondContact O-N 2.83Å; F634-K638 PolarHBondContact O-N 2.84Å; F634-K638 VanDerWaalsContact O-N 3.07Å |
| 635 | A | 83.8 | Confident | 84.3 | Confident | 32 Ų | 32 | 46 Ų | 46 | 26% | 0.264 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M604 K631 L632 K638 A639 | M604-A635 HydrophobicContact CE-CB 3.8Å; K631-A635 WeakPolarHBondContact O-CB 3.39Å; K631-A635 PolarHBondContact O-N 2.8Å; L632-A635 PolarHBondContact O-N 2.82Å; A635-K638 PolarHBondContact O-N 2.86Å; A635-A639 WeakPolarHBondContact O-CB 3.44Å; A635-A639 PolarHBondContact O-N 3.1Å |
| 636 | S | 86.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 176.4 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | L632 G633 A639 G640 N641 S645 | L632-S636 VanDerWaalsContact O-CB 3.26Å; L632-S636 WeakPolarHBondContact O-CB 3.34Å; L632-S636 PolarHBondContact O-N 3.44Å; L632-S636 PolarHBondContact O-OG 3.45Å; G633-S636 WeakPolarHBondContact CA-OG 3.39Å; G633-S636 PolarHBondContact O-OG 2.98Å; S636-A639 PolarHBondContact O-N 2.91Å; S636-G640 PolarHBondContact O-N 2.98Å; S636-G640 VanDerWaalsContact O-N 3.15Å; S636-N641 PolarHBondContact O-N 2.86Å; S636-S645 VanDerWaalsContact OG-CA 3.26Å; S636-S645 WeakPolarHBondContact OG-CA 3.39Å; S636-S645 WeakPolarHBondContact OG-CB 3.43Å; S636-S645 PolarHBondContact OG-N 3.47Å |
| 637 | L | 84.1 | Confident | 84.8 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | 174.3 | -165 | 86.2 | 0 | 0 | 0 | 110.8 | G633 F634 G640 S645 F649 L661 I682 L685 E686 | G633-L637 WeakPolarHBondContact O-CB 3.29Å; G633-L637 PolarHBondContact O-N 3.14Å; F634-L637 PolarHBondContact O-N 2.83Å; L637-G640 PolarHBondContact O-N 3.26Å; L637-G640 VanDerWaalsContact O-N 3.16Å; L637-S645 WeakPolarHBondContact CD1-OG 3.44Å; L637-F649 HydrophobicContact CD1-CE2 4.34Å; L637-L661 HydrophobicContact CD1-CD1 4.42Å; L637-L661 HydrophobicContact CD1-CD2 3.9Å; L637-I682 HydrophobicContact CD2-CG2 4.44Å; L637-I682 HydrophobicContact CG-CG2 4.21Å; L637-L685 HydrophobicContact CD1-CD2 4.12Å; L637-L685 HydrophobicContact CD2-CD2 4.07Å; L637-E686 HydrophobicContact CD2-CG 3.78Å; L637-E686 WeakPolarHBondContact CD2-OE1 3.46Å |
| 638 | K | 80.1 | Confident | 85.1 | Confident | 173 Ų | 173 | 41.7 Ų | 41.7 | 75% | 0.752 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -65.3 | -38.6 | 176.2 | -73.5 | -176.6 | 177.9 | -176 | 0 | 113 | F634 A635 G640 | F634-K638 PolarHBondContact O-N 2.84Å; F634-K638 VanDerWaalsContact O-N 3.07Å; A635-K638 PolarHBondContact O-N 2.86Å; K638-G640 PolarHBondContact O-N 3.4Å |
| 639 | A | 77.9 | Confident | 85.4 | Confident | 72 Ų | 72 | 40.9 Ų | 40.9 | 60% | 0.595 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -8.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L609 A635 S636 N641 | L609-A639 HydrophobicContact CD1-CB 4.13Å; A635-A639 WeakPolarHBondContact O-CB 3.44Å; A635-A639 PolarHBondContact O-N 3.1Å; S636-A639 PolarHBondContact O-N 2.91Å; A639-N641 VanDerWaalsContact C-N 3.26Å; A639-N641 PolarHBondContact O-N 3.5Å |
| 640 | G | 76.1 | Confident | 85.4 | Confident | 44 Ų | 44 | 42.9 Ų | 42.9 | 45% | 0.454 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 11.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S636 L637 K638 L642 | S636-G640 PolarHBondContact O-N 2.98Å; S636-G640 VanDerWaalsContact O-N 3.15Å; L637-G640 PolarHBondContact O-N 3.26Å; L637-G640 VanDerWaalsContact O-N 3.16Å; K638-G640 PolarHBondContact O-N 3.4Å; G640-L642 PolarHBondContact O-N 3.31Å |
| 641 | N | 83.3 | Confident | 85.3 | Confident | 47 Ų | 47 | 42.7 Ų | 42.7 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | trans | -82.9 | 83.1 | 175.9 | -168.4 | -21.3 | 0 | 0 | 0 | 110.1 | S636 A639 I643 V644 S645 | S636-N641 PolarHBondContact O-N 2.86Å; A639-N641 VanDerWaalsContact C-N 3.26Å; A639-N641 PolarHBondContact O-N 3.5Å; N641-I643 PolarHBondContact O-N 2.78Å; N641-I643 PolarHBondContact OD1-N 2.77Å; N641-V644 WeakPolarHBondContact ND2-CG2 3.25Å; N641-V644 PolarHBondContact O-N 3.41Å; N641-V644 PolarHBondContact OD1-N 2.94Å; N641-S645 WeakPolarHBondContact O-CB 3.29Å; N641-S645 PolarHBondContact O-N 2.82Å | ||
| 642 | L | 83.6 | Confident | 85.4 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -26.1 | -177.7 | -61.8 | 178.7 | 0 | 0 | 0 | 113.3 | G640 E646 L661 I682 | G640-L642 PolarHBondContact O-N 3.31Å; L642-E646 VanDerWaalsContact O-CB 3.31Å; L642-E646 WeakPolarHBondContact O-CB 3.43Å; L642-E646 PolarHBondContact O-N 3.5Å; L642-L661 HydrophobicContact CD2-CD2 3.91Å; L642-I682 HydrophobicContact CD2-CD1 4.03Å; L642-I682 HydrophobicContact CD2-CG1 4.21Å |
| 643 | I | 87.1 | Confident | 85.2 | Confident | 90 Ų | 90 | 42 Ų | 42 | 46% | 0.462 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.5 | -54.2 | -179 | -61 | 172.5 | 0 | 0 | 0 | 109.7 | N641 S645 E646 Q647 | N641-I643 PolarHBondContact O-N 2.78Å; N641-I643 PolarHBondContact OD1-N 2.77Å; I643-S645 PolarHBondContact O-N 2.89Å; I643-E646 PolarHBondContact O-N 3.33Å; I643-Q647 WeakPolarHBondContact O-CG 3.3Å; I643-Q647 PolarHBondContact O-N 2.78Å |
| 644 | V | 88.5 | Confident | 85.2 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -35.2 | 178.2 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | L609 V613 L632 N641 Q647 S648 | L609-V644 HydrophobicContact CB-CG1 4.38Å; V613-V644 HydrophobicContact CG2-CB 4.49Å; V613-V644 HydrophobicContact CG2-CG1 3.61Å; V613-V644 HydrophobicContact CG2-CG2 4.28Å; L632-V644 HydrophobicContact CD1-CG1 4.12Å; L632-V644 HydrophobicContact CD2-CG1 4.45Å; L632-V644 HydrophobicContact CG-CG1 4.13Å; N641-V644 WeakPolarHBondContact ND2-CG2 3.25Å; N641-V644 PolarHBondContact O-N 3.41Å; N641-V644 PolarHBondContact OD1-N 2.94Å; V644-Q647 PolarHBondContact O-N 3.41Å; V644-S648 VanDerWaalsContact O-CB 3.28Å; V644-S648 WeakPolarHBondContact O-CB 3.29Å; V644-S648 PolarHBondContact O-N 3.47Å; V644-S648 PolarHBondContact O-OG 3.03Å |
| 645 | S | 87.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 175.9 | -163.7 | 0 | 0 | 0 | 0 | 112.3 | G633 S636 L637 N641 I643 S648 F649 | G633-S645 PolarHBondContact O-OG 3.45Å; S636-S645 VanDerWaalsContact OG-CA 3.26Å; S636-S645 WeakPolarHBondContact OG-CA 3.39Å; S636-S645 WeakPolarHBondContact OG-CB 3.43Å; S636-S645 PolarHBondContact OG-N 3.47Å; L637-S645 WeakPolarHBondContact CD1-OG 3.44Å; N641-S645 WeakPolarHBondContact O-CB 3.29Å; N641-S645 PolarHBondContact O-N 2.82Å; I643-S645 PolarHBondContact O-N 2.89Å; S645-S648 PolarHBondContact O-N 3.26Å; S645-F649 WeakPolarHBondContact O-CD2 3.29Å; S645-F649 PolarHBondContact O-N 3.26Å; S645-F649 VanDerWaalsContact OG-CE2 3.26Å; S645-F649 WeakPolarHBondContact OG-CE2 3.42Å |
| 646 | E | 87.8 | Confident | 85.3 | Confident | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.065 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 173.8 | -175.5 | -170.4 | 167.6 | 0 | 0 | 111.1 | L642 I643 A650 R662 R665 | L642-E646 VanDerWaalsContact O-CB 3.31Å; L642-E646 WeakPolarHBondContact O-CB 3.43Å; L642-E646 PolarHBondContact O-N 3.5Å; I643-E646 PolarHBondContact O-N 3.33Å; E646-A650 WeakPolarHBondContact O-CB 3.39Å; E646-A650 PolarHBondContact O-N 3.36Å; E646-R662 IonicContact OE1-CZ 3.88Å; E646-R662 VanDerWaalsContact OE1-CZ 3.23Å; E646-R662 IonicContact OE1-NE 2.94Å; E646-R662 PolarHBondContact OE1-NE 2.97Å; E646-R662 IonicContact OE1-NH2 3.31Å; E646-R662 PolarHBondContact OE1-NH2 3.29Å; E646-R665 IonicContact OE2-CZ 2.69Å; E646-R665 IonicContact OE2-NE 3.81Å; E646-R665 IonicContact OE2-NH1 3.11Å; E646-R665 PolarHBondContact OE2-NH1 3.48Å; E646-R665 IonicContact OE2-NH2 3.53Å; E646-R665 PolarHBondContact OE2-NH2 3.01Å |
| 647 | Q | 87.9 | Confident | 85.3 | Confident | 81 Ų | 81 | 51 Ų | 51 | 38% | 0.379 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 177.4 | -73.9 | 173 | -31 | 0 | 0 | 111.5 | I643 V644 A650 S651 | I643-Q647 WeakPolarHBondContact O-CG 3.3Å; I643-Q647 PolarHBondContact O-N 2.78Å; V644-Q647 PolarHBondContact O-N 3.41Å; Q647-A650 PolarHBondContact O-N 3.36Å; Q647-S651 PolarHBondContact O-N 2.52Å |
| 648 | S | 88.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -50 | 178.8 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | V644 S645 A650 S651 L652 | V644-S648 VanDerWaalsContact O-CB 3.28Å; V644-S648 WeakPolarHBondContact O-CB 3.29Å; V644-S648 PolarHBondContact O-N 3.47Å; V644-S648 PolarHBondContact O-OG 3.03Å; S645-S648 PolarHBondContact O-N 3.26Å; S648-A650 VanDerWaalsContact C-N 3.3Å; S648-A650 PolarHBondContact O-N 2.7Å; S648-S651 PolarHBondContact O-N 2.79Å; S648-S651 PolarHBondContact O-OG 3.44Å; S648-L652 VanDerWaalsContact O-CG 3.31Å; S648-L652 WeakPolarHBondContact O-CG 3.46Å; S648-L652 PolarHBondContact O-N 3.09Å; S648-L652 VanDerWaalsContact O-N 3.08Å |
| 649 | F | 89.1 | Confident | 85.7 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.9 | -26 | 178.3 | -70.7 | -57.5 | 0 | 0 | 0 | 113.4 | L637 S645 L652 G653 C654 K657 L661 | L637-F649 HydrophobicContact CD1-CE2 4.34Å; S645-F649 WeakPolarHBondContact O-CD2 3.29Å; S645-F649 PolarHBondContact O-N 3.26Å; S645-F649 VanDerWaalsContact OG-CE2 3.26Å; S645-F649 WeakPolarHBondContact OG-CE2 3.42Å; F649-L652 HydrophobicContact CD1-CD1 4.05Å; F649-L652 HydrophobicContact CE1-CD1 4.43Å; F649-G653 PolarHBondContact O-N 3.43Å; F649-C654 HydrophobicContact CB-CB 4.21Å; F649-C654 HydrophobicContact CD1-CB 4.34Å; F649-C654 PolarHBondContact O-N 3.16Å; F649-K657 HydrophobicContact CB-CB 4.35Å; F649-K657 HydrophobicContact CD1-CD 3.98Å; F649-K657 HydrophobicContact CD2-CB 4.46Å; F649-K657 HydrophobicContact CE1-CD 3.96Å; F649-K657 HydrophobicContact CE2-CD 4.47Å; F649-K657 HydrophobicContact CG-CB 4.25Å; F649-K657 HydrophobicContact CG-CD 4.29Å; F649-K657 HydrophobicContact CZ-CD 4.22Å; F649-L661 HydrophobicContact CD2-CD1 3.68Å; F649-L661 HydrophobicContact CE2-CD1 4.25Å |
| 650 | A | 88.2 | Confident | 86.2 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 45% | 0.446 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68 | -44.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E646 Q647 S648 L652 G653 | E646-A650 WeakPolarHBondContact O-CB 3.39Å; E646-A650 PolarHBondContact O-N 3.36Å; Q647-A650 PolarHBondContact O-N 3.36Å; S648-A650 VanDerWaalsContact C-N 3.3Å; S648-A650 PolarHBondContact O-N 2.7Å; A650-L652 VanDerWaalsContact C-N 3.26Å; A650-L652 PolarHBondContact O-N 3.41Å; A650-G653 PolarHBondContact O-N 3.4Å; A650-G653 VanDerWaalsContact O-N 3.1Å |
| 651 | S | 85.8 | Confident | 86.7 | Confident | 47 Ų | 47 | 49.8 Ų | 49.8 | 33% | 0.329 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.1 | -31.4 | 176.1 | 75.1 | 0 | 0 | 0 | 0 | 112.8 | Q647 S648 G653 | Q647-S651 PolarHBondContact O-N 2.52Å; S648-S651 PolarHBondContact O-N 2.79Å; S648-S651 PolarHBondContact O-OG 3.44Å; S651-G653 VanDerWaalsContact C-N 3.34Å |
| 652 | L | 87.1 | Confident | 86.9 | Confident | 45 Ų | 45 | 53.4 Ų | 53.4 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11.7 | 175.6 | -67 | 168.3 | 0 | 0 | 0 | 114.1 | K626 W629 T630 S648 F649 A650 | K626-L652 HydrophobicContact CB-CD2 4.46Å; K626-L652 WeakPolarHBondContact O-CD2 3.08Å; W629-L652 HydrophobicContact CB-CD2 3.75Å; W629-L652 HydrophobicContact CB-CG 4.06Å; T630-L652 WeakPolarHBondContact OG1-CD2 3.42Å; S648-L652 VanDerWaalsContact O-CG 3.31Å; S648-L652 WeakPolarHBondContact O-CG 3.46Å; S648-L652 PolarHBondContact O-N 3.09Å; S648-L652 VanDerWaalsContact O-N 3.08Å; F649-L652 HydrophobicContact CD1-CD1 4.05Å; F649-L652 HydrophobicContact CE1-CD1 4.43Å; A650-L652 VanDerWaalsContact C-N 3.26Å; A650-L652 PolarHBondContact O-N 3.41Å |
| 653 | G | 84.5 | Confident | 87 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | 13.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F649 A650 S651 V655 | F649-G653 PolarHBondContact O-N 3.43Å; A650-G653 PolarHBondContact O-N 3.4Å; A650-G653 VanDerWaalsContact O-N 3.1Å; S651-G653 VanDerWaalsContact C-N 3.34Å; G653-V655 PolarHBondContact O-N 3.06Å |
| 654 | C | 86.1 | Confident | 86.9 | Confident | 50 Ų | 50 | 54 Ų | 54 | 34% | 0.338 | 29% | 0.291 | S | S | . | . | trans | -82.7 | 73.3 | 179.3 | -76.5 | 0 | 0 | 0 | 0 | 112.1 | F649 S656 K657 S658 | F649-C654 HydrophobicContact CB-CB 4.21Å; F649-C654 HydrophobicContact CD1-CB 4.34Å; F649-C654 PolarHBondContact O-N 3.16Å; C654-S656 VanDerWaalsContact C-N 3.31Å; C654-S656 PolarHBondContact O-N 3.32Å; C654-K657 HydrophobicContact CB-CB 4.31Å; C654-K657 PolarHBondContact O-N 2.91Å; C654-S658 PolarHBondContact O-N 3.47Å | ||
| 655 | V | 87.5 | Confident | 86.7 | Confident | 112 Ų | 112 | 57 Ų | 57 | 68% | 0.679 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -57 | -38.4 | -173.8 | -175.9 | 0 | 0 | 0 | 0 | 113.3 | G653 R659 | G653-V655 PolarHBondContact O-N 3.06Å; V655-R659 VanDerWaalsContact O-CB 3.26Å; V655-R659 WeakPolarHBondContact O-CB 3.2Å; V655-R659 PolarHBondContact O-N 3.3Å |
| 656 | S | 84.8 | Confident | 86.6 | Confident | 94 Ų | 94 | 60 Ų | 60 | 66% | 0.657 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.8 | -47.6 | -180 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | C654 R659 Y660 | C654-S656 VanDerWaalsContact C-N 3.31Å; C654-S656 PolarHBondContact O-N 3.32Å; S656-R659 PolarHBondContact O-N 2.79Å; S656-Y660 WeakPolarHBondContact O-CB 3.46Å; S656-Y660 PolarHBondContact O-N 3.11Å |
| 657 | K | 85.1 | Confident | 86.3 | Confident | 61 Ų | 61 | 61.8 Ų | 61.8 | 27% | 0.265 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 176.1 | -70.6 | -171.7 | 175.4 | -172.3 | 0 | 111.4 | F649 C654 Y660 L661 L685 | F649-K657 HydrophobicContact CB-CB 4.35Å; F649-K657 HydrophobicContact CD1-CD 3.98Å; F649-K657 HydrophobicContact CD2-CB 4.46Å; F649-K657 HydrophobicContact CE1-CD 3.96Å; F649-K657 HydrophobicContact CE2-CD 4.47Å; F649-K657 HydrophobicContact CG-CB 4.25Å; F649-K657 HydrophobicContact CG-CD 4.29Å; F649-K657 HydrophobicContact CZ-CD 4.22Å; C654-K657 HydrophobicContact CB-CB 4.31Å; C654-K657 PolarHBondContact O-N 2.91Å; K657-Y660 PolarHBondContact O-N 3.34Å; K657-L661 WeakPolarHBondContact O-CB 3.4Å; K657-L661 VanDerWaalsContact O-CG 3.26Å; K657-L661 WeakPolarHBondContact O-CG 3.21Å; K657-L661 PolarHBondContact O-N 2.99Å; K657-L685 HydrophobicContact CB-CD1 4.35Å; K657-L685 HydrophobicContact CD-CD2 4.35Å; K657-L685 HydrophobicContact CG-CD1 4.29Å |
| 658 | S | 86.3 | Confident | 85.9 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 8% | 0.077 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | C654 Y660 L661 R662 | C654-S658 PolarHBondContact O-N 3.47Å; S658-Y660 PolarHBondContact O-N 3.29Å; S658-L661 PolarHBondContact O-N 3.28Å; S658-R662 VanDerWaalsContact O-CB 3.28Å; S658-R662 WeakPolarHBondContact O-CB 3.48Å; S658-R662 PolarHBondContact O-N 2.86Å |
| 659 | R | 87.9 | Confident | 85.4 | Confident | 190 Ų | 190 | 66.6 Ų | 66.6 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 177.1 | -175.2 | 175.7 | 179.7 | 156.7 | 0.2 | 112.1 | V655 S656 R662 Q663 | V655-R659 VanDerWaalsContact O-CB 3.26Å; V655-R659 WeakPolarHBondContact O-CB 3.2Å; V655-R659 PolarHBondContact O-N 3.3Å; S656-R659 PolarHBondContact O-N 2.79Å; R659-R662 PolarHBondContact O-N 3.07Å; R659-Q663 WeakPolarHBondContact O-CB 3.29Å; R659-Q663 PolarHBondContact O-N 2.91Å |
| 660 | Y | 87.3 | Confident | 84.9 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 26% | 0.263 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 177.1 | -171.6 | -91.1 | 0 | 0 | 0 | 111.3 | S656 K657 S658 R662 Q663 T664 C681 L685 | S656-Y660 WeakPolarHBondContact O-CB 3.46Å; S656-Y660 PolarHBondContact O-N 3.11Å; K657-Y660 PolarHBondContact O-N 3.34Å; S658-Y660 PolarHBondContact O-N 3.29Å; Y660-R662 VanDerWaalsContact C-N 3.33Å; Y660-R662 PolarHBondContact O-N 3.42Å; Y660-Q663 WeakPolarHBondContact O-CB 3.41Å; Y660-Q663 PolarHBondContact O-N 3.38Å; Y660-Q663 VanDerWaalsContact O-N 3.1Å; Y660-T664 PolarHBondContact O-N 2.77Å; Y660-T664 PolarHBondContact O-OG1 3.08Å; Y660-T664 VanDerWaalsContact O-OG1 3.07Å; Y660-C681 HydrophobicContact CE1-CB 3.87Å; Y660-C681 VanDerWaalsContact CE1-O 3.29Å; Y660-C681 WeakPolarHBondContact CE1-O 3.18Å; Y660-C681 WeakPolarHBondContact OH-CA 3.45Å; Y660-C681 WeakPolarHBondContact OH-CB 3.33Å; Y660-C681 PolarHBondContact OH-O 2.78Å; Y660-L685 HydrophobicContact CD1-CB 4.3Å; Y660-L685 HydrophobicContact CD1-CD1 3.42Å; Y660-L685 VanDerWaalsContact CD1-CD1 3.42Å; Y660-L685 HydrophobicContact CD1-CG 4.46Å; Y660-L685 HydrophobicContact CE1-CB 4.18Å; Y660-L685 HydrophobicContact CE1-CD1 4.14Å; Y660-L685 HydrophobicContact CG-CD1 4.1Å |
| 661 | L | 87.3 | Confident | 84 | Confident | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 176.2 | -71.8 | 170.8 | 0 | 0 | 0 | 112.1 | L637 L642 F649 K657 S658 T664 R665 L685 | L637-L661 HydrophobicContact CD1-CD1 4.42Å; L637-L661 HydrophobicContact CD1-CD2 3.9Å; L642-L661 HydrophobicContact CD2-CD2 3.91Å; F649-L661 HydrophobicContact CD2-CD1 3.68Å; F649-L661 HydrophobicContact CE2-CD1 4.25Å; K657-L661 WeakPolarHBondContact O-CB 3.4Å; K657-L661 VanDerWaalsContact O-CG 3.26Å; K657-L661 WeakPolarHBondContact O-CG 3.21Å; K657-L661 PolarHBondContact O-N 2.99Å; S658-L661 PolarHBondContact O-N 3.28Å; L661-T664 PolarHBondContact O-N 3.34Å; L661-R665 VanDerWaalsContact O-CB 3.27Å; L661-R665 WeakPolarHBondContact O-CB 3.36Å; L661-R665 PolarHBondContact O-N 2.93Å; L661-L685 HydrophobicContact CD2-CD1 4.32Å; L661-L685 HydrophobicContact CG-CD1 4.16Å |
| 662 | R | 87.8 | Confident | 83.1 | Confident | 123 Ų | 123 | 80.9 Ų | 80.9 | 46% | 0.464 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 174.3 | -176.6 | 177.8 | -65.7 | 172.4 | 1.5 | 111.6 | E646 S658 R659 Y660 R665 N666 | E646-R662 IonicContact OE1-CZ 3.88Å; E646-R662 VanDerWaalsContact OE1-CZ 3.23Å; E646-R662 IonicContact OE1-NE 2.94Å; E646-R662 PolarHBondContact OE1-NE 2.97Å; E646-R662 IonicContact OE1-NH2 3.31Å; E646-R662 PolarHBondContact OE1-NH2 3.29Å; S658-R662 VanDerWaalsContact O-CB 3.28Å; S658-R662 WeakPolarHBondContact O-CB 3.48Å; S658-R662 PolarHBondContact O-N 2.86Å; R659-R662 PolarHBondContact O-N 3.07Å; Y660-R662 VanDerWaalsContact C-N 3.33Å; Y660-R662 PolarHBondContact O-N 3.42Å; R662-R665 PolarHBondContact O-N 3.1Å; R662-N666 WeakPolarHBondContact O-CB 3.48Å; R662-N666 PolarHBondContact O-N 3.09Å; R662-N666 PolarHBondContact O-OD1 2.95Å |
| 663 | Q | 85.7 | Confident | 82.1 | Confident | 117 Ų | 117 | 80.3 Ų | 80.3 | 55% | 0.547 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 176.5 | -174.3 | 175.3 | -4.7 | 0 | 0 | 111.3 | R659 Y660 R665 N666 L667 | R659-Q663 WeakPolarHBondContact O-CB 3.29Å; R659-Q663 PolarHBondContact O-N 2.91Å; Y660-Q663 WeakPolarHBondContact O-CB 3.41Å; Y660-Q663 PolarHBondContact O-N 3.38Å; Y660-Q663 VanDerWaalsContact O-N 3.1Å; Q663-R665 VanDerWaalsContact C-N 3.34Å; Q663-R665 PolarHBondContact O-N 2.83Å; Q663-N666 PolarHBondContact O-N 3.01Å; Q663-L667 HydrophobicContact CG-CD1 4.15Å; Q663-L667 WeakPolarHBondContact O-CB 3.41Å; Q663-L667 VanDerWaalsContact O-CG 3.27Å; Q663-L667 WeakPolarHBondContact O-CG 3.43Å; Q663-L667 PolarHBondContact O-N 2.8Å |
| 664 | T | 84.2 | Confident | 81.4 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 111.4 | Y660 L661 L667 L668 L673 A678 C681 | Y660-T664 PolarHBondContact O-N 2.77Å; Y660-T664 PolarHBondContact O-OG1 3.08Å; Y660-T664 VanDerWaalsContact O-OG1 3.07Å; L661-T664 PolarHBondContact O-N 3.34Å; T664-L667 PolarHBondContact O-N 2.85Å; T664-L668 WeakPolarHBondContact O-CB 3.21Å; T664-L668 PolarHBondContact O-N 3.1Å; T664-L673 HydrophobicContact CG2-CD2 3.98Å; T664-A678 HydrophobicContact CG2-CB 4.09Å; T664-C681 HydrophobicContact CG2-CB 3.61Å |
| 665 | R | 84.6 | Confident | 80.8 | Confident | 65 Ų | 65 | 85.9 Ų | 85.9 | 25% | 0.245 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 176.3 | -171.4 | -170.6 | 73 | -167.1 | -7.7 | 111.8 | E646 L661 R662 Q663 L667 L668 L669 | E646-R665 IonicContact OE2-CZ 2.69Å; E646-R665 IonicContact OE2-NE 3.81Å; E646-R665 IonicContact OE2-NH1 3.11Å; E646-R665 PolarHBondContact OE2-NH1 3.48Å; E646-R665 IonicContact OE2-NH2 3.53Å; E646-R665 PolarHBondContact OE2-NH2 3.01Å; L661-R665 VanDerWaalsContact O-CB 3.27Å; L661-R665 WeakPolarHBondContact O-CB 3.36Å; L661-R665 PolarHBondContact O-N 2.93Å; R662-R665 PolarHBondContact O-N 3.1Å; Q663-R665 VanDerWaalsContact C-N 3.34Å; Q663-R665 PolarHBondContact O-N 2.83Å; R665-L667 VanDerWaalsContact C-N 3.33Å; R665-L667 PolarHBondContact O-N 2.86Å; R665-L668 WeakPolarHBondContact O-CB 3.48Å; R665-L668 PolarHBondContact O-N 2.95Å; R665-L669 HydrophobicContact CG-CD1 3.99Å; R665-L669 HydrophobicContact CG-CG 4.45Å; R665-L669 WeakPolarHBondContact O-CB 3.23Å; R665-L669 WeakPolarHBondContact O-CG 3.39Å; R665-L669 PolarHBondContact O-N 3.13Å |
| 666 | N | 85.2 | Confident | 80 | Confident | 65 Ų | 65 | 83 Ų | 83 | 35% | 0.348 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 179.2 | -71.8 | -1 | 0 | 0 | 0 | 111.1 | R662 Q663 L668 L669 E670 | R662-N666 WeakPolarHBondContact O-CB 3.48Å; R662-N666 PolarHBondContact O-N 3.09Å; R662-N666 PolarHBondContact O-OD1 2.95Å; Q663-N666 PolarHBondContact O-N 3.01Å; N666-L668 VanDerWaalsContact C-N 3.34Å; N666-L668 PolarHBondContact O-N 3.32Å; N666-L669 PolarHBondContact O-N 2.83Å; N666-E670 WeakPolarHBondContact O-CB 3.37Å; N666-E670 VanDerWaalsContact O-CG 3.32Å; N666-E670 WeakPolarHBondContact O-CG 3.49Å; N666-E670 PolarHBondContact O-N 3.47Å |
| 667 | L | 81.7 | Confident | 79.5 | Confident | 51 Ų | 51 | 80.1 Ų | 80.1 | 27% | 0.267 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.7 | -33.9 | 175.3 | -68.8 | 171.2 | 0 | 0 | 0 | 112.8 | Q663 T664 R665 N671 K672 L673 | Q663-L667 HydrophobicContact CG-CD1 4.15Å; Q663-L667 WeakPolarHBondContact O-CB 3.41Å; Q663-L667 VanDerWaalsContact O-CG 3.27Å; Q663-L667 WeakPolarHBondContact O-CG 3.43Å; Q663-L667 PolarHBondContact O-N 2.8Å; T664-L667 PolarHBondContact O-N 2.85Å; R665-L667 VanDerWaalsContact C-N 3.33Å; R665-L667 PolarHBondContact O-N 2.86Å; L667-N671 PolarHBondContact O-N 3.22Å; L667-K672 HydrophobicContact CD2-CB 4.19Å; L667-K672 HydrophobicContact CD2-CD 4.25Å; L667-K672 PolarHBondContact O-N 2.88Å; L667-L673 HydrophobicContact CB-CB 3.87Å; L667-L673 HydrophobicContact CB-CD2 4.14Å; L667-L673 HydrophobicContact CB-CG 4.49Å; L667-L673 PolarHBondContact O-N 2.91Å |
| 668 | L | 79.4 | Confident | 79 | Confident | 59 Ų | 59 | 77.5 Ų | 77.5 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.4 | -40.9 | 172.8 | -164.8 | 100.5 | 0 | 0 | 0 | 111.6 | T664 R665 N666 N671 A678 | T664-L668 WeakPolarHBondContact O-CB 3.21Å; T664-L668 PolarHBondContact O-N 3.1Å; R665-L668 WeakPolarHBondContact O-CB 3.48Å; R665-L668 PolarHBondContact O-N 2.95Å; N666-L668 VanDerWaalsContact C-N 3.34Å; N666-L668 PolarHBondContact O-N 3.32Å; L668-N671 PolarHBondContact O-N 2.86Å; L668-A678 HydrophobicContact CD1-CB 3.53Å |
| 669 | L | 79.1 | Confident | 78.6 | Confident | 122 Ų | 122 | 82.5 Ų | 82.5 | 64% | 0.639 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69 | -37 | 176.9 | -74.3 | 166.8 | 0 | 0 | 0 | 112.4 | R665 N666 N671 | R665-L669 HydrophobicContact CG-CD1 3.99Å; R665-L669 HydrophobicContact CG-CG 4.45Å; R665-L669 WeakPolarHBondContact O-CB 3.23Å; R665-L669 WeakPolarHBondContact O-CG 3.39Å; R665-L669 PolarHBondContact O-N 3.13Å; N666-L669 PolarHBondContact O-N 2.83Å; L669-N671 PolarHBondContact O-N 3.3Å |
| 670 | E | 78 | Confident | 78.1 | Confident | 110 Ų | 110 | 73.5 Ų | 73.5 | 51% | 0.514 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 3.3 | 176.1 | -71.4 | 179.7 | -169.1 | 0 | 0 | 113.2 | N666 K672 | N666-E670 WeakPolarHBondContact O-CB 3.37Å; N666-E670 VanDerWaalsContact O-CG 3.32Å; N666-E670 WeakPolarHBondContact O-CG 3.49Å; N666-E670 PolarHBondContact O-N 3.47Å; E670-K672 HydrophobicContact CB-CD 4.26Å; E670-K672 HydrophobicContact CB-CG 4.19Å; E670-K672 PolarHBondContact O-N 2.97Å; E670-K672 WeakPolarHBondContact OE2-CD 3.41Å; E670-K672 VanDerWaalsContact OE2-CE 3.31Å; E670-K672 WeakPolarHBondContact OE2-CE 3.5Å; E670-K672 IonicContact OE2-NZ 3.63Å; E670-K672 PolarHBondContact OE2-NZ 2.98Å |
| 671 | N | 68.6 | Low | 77.8 | Confident | 148 Ų | 148 | 71.3 Ų | 71.3 | 79% | 0.791 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 19.3 | -174.1 | -75.8 | -25.5 | 0 | 0 | 0 | 114.6 | L667 L668 L669 L673 | L667-N671 PolarHBondContact O-N 3.22Å; L668-N671 PolarHBondContact O-N 2.86Å; L669-N671 PolarHBondContact O-N 3.3Å; N671-L673 VanDerWaalsContact C-N 3.33Å |
| 672 | K | 67.2 | Low | 77.5 | Confident | 148 Ų | 148 | 72.7 Ų | 72.7 | 64% | 0.643 | 36% | 0.358 | S | S | * | . | trans | -80.7 | -17.3 | 175.9 | -70.8 | 178 | -177.7 | 160.3 | 0 | 112.3 | L667 E670 | L667-K672 HydrophobicContact CD2-CB 4.19Å; L667-K672 HydrophobicContact CD2-CD 4.25Å; L667-K672 PolarHBondContact O-N 2.88Å; E670-K672 HydrophobicContact CB-CD 4.26Å; E670-K672 HydrophobicContact CB-CG 4.19Å; E670-K672 PolarHBondContact O-N 2.97Å; E670-K672 WeakPolarHBondContact OE2-CD 3.41Å; E670-K672 VanDerWaalsContact OE2-CE 3.31Å; E670-K672 WeakPolarHBondContact OE2-CE 3.5Å; E670-K672 IonicContact OE2-NZ 3.63Å; E670-K672 PolarHBondContact OE2-NZ 2.98Å | ||
| 673 | L | 67 | Low | 77.2 | Confident | 33 Ų | 33 | 67.2 Ų | 67.2 | 17% | 0.173 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -122.9 | 126 | -176 | -154.2 | 70 | 0 | 0 | 0 | 110.7 | T664 L667 N671 N677 A678 | T664-L673 HydrophobicContact CG2-CD2 3.98Å; L667-L673 HydrophobicContact CB-CB 3.87Å; L667-L673 HydrophobicContact CB-CD2 4.14Å; L667-L673 HydrophobicContact CB-CG 4.49Å; L667-L673 PolarHBondContact O-N 2.91Å; N671-L673 VanDerWaalsContact C-N 3.33Å; L673-N677 HydrophobicContact CD1-CB 3.46Å; L673-N677 VanDerWaalsContact CD1-CB 3.46Å; L673-N677 HydrophobicContact CD2-CB 4.38Å; L673-N677 HydrophobicContact CG-CB 3.53Å; L673-A678 HydrophobicContact CD2-CB 4.19Å |
| 674 | S | 70 | Confident | 77.1 | Confident | 52 Ų | 52 | 64 Ų | 64 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | trans | -66.3 | 155.8 | 171.4 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | S676 N677 A678 | S674-S676 PolarHBondContact O-N 3.32Å; S674-N677 WeakPolarHBondContact O-CA 3.47Å; S674-N677 PolarHBondContact O-N 2.99Å; S674-N677 WeakPolarHBondContact OG-CB 3.4Å; S674-N677 PolarHBondContact OG-N 3.06Å; S674-N677 VanDerWaalsContact OG-N 3.09Å; S674-N677 PolarHBondContact OG-ND2 2.98Å; S674-A678 PolarHBondContact O-N 3.46Å | ||
| 675 | K | 73.2 | Confident | 77 | Confident | 169 Ų | 169 | 65.2 Ų | 65.2 | 74% | 0.735 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -55.4 | -36.9 | 174.3 | -75.9 | -176.4 | 177.7 | -179.4 | 0 | 112 | A678 Q679 | K675-A678 WeakPolarHBondContact O-CB 3.44Å; K675-A678 PolarHBondContact O-N 3.21Å; K675-Q679 WeakPolarHBondContact O-CG 3.43Å; K675-Q679 PolarHBondContact O-N 2.88Å |
| 676 | S | 71 | Confident | 76.8 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | S674 A678 Q679 A680 I695 | S674-S676 PolarHBondContact O-N 3.32Å; S676-A678 VanDerWaalsContact C-N 3.32Å; S676-A678 PolarHBondContact O-N 2.82Å; S676-Q679 WeakPolarHBondContact O-CB 3.43Å; S676-Q679 PolarHBondContact O-N 3.08Å; S676-A680 PolarHBondContact O-N 3.08Å; S676-I695 WeakPolarHBondContact O-CG2 3.46Å |
| 677 | N | 73.4 | Confident | 76.7 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.4 | -32.2 | 173.5 | -73 | -13.5 | 0 | 0 | 0 | 112.5 | L673 S674 A680 C681 Q699 | L673-N677 HydrophobicContact CD1-CB 3.46Å; L673-N677 VanDerWaalsContact CD1-CB 3.46Å; L673-N677 HydrophobicContact CD2-CB 4.38Å; L673-N677 HydrophobicContact CG-CB 3.53Å; S674-N677 WeakPolarHBondContact O-CA 3.47Å; S674-N677 PolarHBondContact O-N 2.99Å; S674-N677 WeakPolarHBondContact OG-CB 3.4Å; S674-N677 PolarHBondContact OG-N 3.06Å; S674-N677 VanDerWaalsContact OG-N 3.09Å; S674-N677 PolarHBondContact OG-ND2 2.98Å; N677-A680 PolarHBondContact O-N 3.29Å; N677-C681 PolarHBondContact O-N 3.22Å; N677-C681 PolarHBondContact O-SG 3.25Å; N677-Q699 VanDerWaalsContact OD1-CD 3.25Å; N677-Q699 PolarHBondContact OD1-NE2 3.37Å; N677-Q699 PolarHBondContact OD1-OE1 2.92Å |
| 678 | A | 75 | Confident | 76.7 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 5% | 0.05 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T664 L668 L673 S674 K675 S676 C681 I682 | T664-A678 HydrophobicContact CG2-CB 4.09Å; L668-A678 HydrophobicContact CD1-CB 3.53Å; L673-A678 HydrophobicContact CD2-CB 4.19Å; S674-A678 PolarHBondContact O-N 3.46Å; K675-A678 WeakPolarHBondContact O-CB 3.44Å; K675-A678 PolarHBondContact O-N 3.21Å; S676-A678 VanDerWaalsContact C-N 3.32Å; S676-A678 PolarHBondContact O-N 2.82Å; A678-C681 WeakPolarHBondContact O-CB 3.48Å; A678-C681 PolarHBondContact O-N 3Å; A678-I682 VanDerWaalsContact O-CG1 3.29Å; A678-I682 WeakPolarHBondContact O-CG1 3.33Å; A678-I682 PolarHBondContact O-N 3.09Å |
| 679 | Q | 77.1 | Confident | 76.9 | Confident | 116 Ų | 116 | 73 Ų | 73 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 171.5 | -72.9 | 173.8 | -24.2 | 0 | 0 | 111.9 | K675 S676 C681 I682 A683 I695 | K675-Q679 WeakPolarHBondContact O-CG 3.43Å; K675-Q679 PolarHBondContact O-N 2.88Å; S676-Q679 WeakPolarHBondContact O-CB 3.43Å; S676-Q679 PolarHBondContact O-N 3.08Å; Q679-C681 VanDerWaalsContact C-N 3.33Å; Q679-C681 PolarHBondContact O-N 3.49Å; Q679-I682 PolarHBondContact O-N 3.26Å; Q679-A683 WeakPolarHBondContact O-CB 3.47Å; Q679-A683 PolarHBondContact O-N 2.69Å; Q679-I695 HydrophobicContact CB-CD1 4.16Å |
| 680 | A | 78 | Confident | 77.2 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S676 N677 I682 A683 I684 T692 I695 F696 | S676-A680 PolarHBondContact O-N 3.08Å; N677-A680 PolarHBondContact O-N 3.29Å; A680-I682 PolarHBondContact O-N 3.3Å; A680-A683 PolarHBondContact O-N 2.7Å; A680-I684 WeakPolarHBondContact O-CG1 3.38Å; A680-I684 PolarHBondContact O-N 2.79Å; A680-T692 HydrophobicContact CB-CG2 4.27Å; A680-I695 HydrophobicContact CB-CB 4.24Å; A680-I695 HydrophobicContact CB-CD1 4.11Å; A680-I695 HydrophobicContact CB-CG2 3.92Å; A680-F696 HydrophobicContact CB-CE1 4.38Å; A680-F696 HydrophobicContact CB-CZ 4.35Å |
| 681 | C | 80.6 | Confident | 77.3 | Confident | 22 Ų | 22 | 72.8 Ų | 72.8 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 173.1 | -69.4 | 0 | 0 | 0 | 0 | 112.7 | Y660 T664 N677 A678 Q679 A683 I684 L685 | Y660-C681 HydrophobicContact CE1-CB 3.87Å; Y660-C681 VanDerWaalsContact CE1-O 3.29Å; Y660-C681 WeakPolarHBondContact CE1-O 3.18Å; Y660-C681 WeakPolarHBondContact OH-CA 3.45Å; Y660-C681 WeakPolarHBondContact OH-CB 3.33Å; Y660-C681 PolarHBondContact OH-O 2.78Å; T664-C681 HydrophobicContact CG2-CB 3.61Å; N677-C681 PolarHBondContact O-N 3.22Å; N677-C681 PolarHBondContact O-SG 3.25Å; A678-C681 WeakPolarHBondContact O-CB 3.48Å; A678-C681 PolarHBondContact O-N 3Å; Q679-C681 VanDerWaalsContact C-N 3.33Å; Q679-C681 PolarHBondContact O-N 3.49Å; C681-A683 VanDerWaalsContact C-N 3.35Å; C681-I684 PolarHBondContact O-N 3.39Å; C681-L685 PolarHBondContact O-N 2.74Å |
| 682 | I | 80.9 | Confident | 78 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 176.8 | -65.1 | 162.9 | 0 | 0 | 0 | 110.1 | L637 L642 A678 Q679 A680 I684 L685 E686 | L637-I682 HydrophobicContact CD2-CG2 4.44Å; L637-I682 HydrophobicContact CG-CG2 4.21Å; L642-I682 HydrophobicContact CD2-CD1 4.03Å; L642-I682 HydrophobicContact CD2-CG1 4.21Å; A678-I682 VanDerWaalsContact O-CG1 3.29Å; A678-I682 WeakPolarHBondContact O-CG1 3.33Å; A678-I682 PolarHBondContact O-N 3.09Å; Q679-I682 PolarHBondContact O-N 3.26Å; A680-I682 PolarHBondContact O-N 3.3Å; I682-I684 PolarHBondContact O-N 2.69Å; I682-L685 CarbonylContact O-C 3.52Å; I682-L685 WeakPolarHBondContact O-CA 3.23Å; I682-L685 WeakPolarHBondContact O-CB 3.37Å; I682-L685 PolarHBondContact O-N 2.86Å; I682-L685 VanDerWaalsContact O-N 3.07Å; I682-E686 PolarHBondContact O-N 3.3Å |
| 683 | A | 82.2 | Confident | 78.7 | Confident | 8 Ų | 8 | 60.7 Ų | 60.7 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q679 A680 C681 L685 E686 K687 D688 A691 | Q679-A683 WeakPolarHBondContact O-CB 3.47Å; Q679-A683 PolarHBondContact O-N 2.69Å; A680-A683 PolarHBondContact O-N 2.7Å; C681-A683 VanDerWaalsContact C-N 3.35Å; A683-L685 PolarHBondContact O-N 3.43Å; A683-E686 CarbonylContact O-C 3.53Å; A683-E686 PolarHBondContact O-N 3.08Å; A683-E686 VanDerWaalsContact O-N 3.14Å; A683-K687 PolarHBondContact O-N 3.39Å; A683-K687 VanDerWaalsContact O-N 3.07Å; A683-D688 HydrophobicContact CB-CB 4.35Å; A683-D688 PolarHBondContact O-N 3.34Å; A683-A691 HydrophobicContact CB-CB 4.03Å |
| 684 | I | 83.5 | Confident | 79.5 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.4 | -40.6 | 172.1 | -68.3 | 165.2 | 0 | 0 | 0 | 110.5 | A680 C681 I682 K687 T692 | A680-I684 WeakPolarHBondContact O-CG1 3.38Å; A680-I684 PolarHBondContact O-N 2.79Å; C681-I684 PolarHBondContact O-N 3.39Å; I682-I684 PolarHBondContact O-N 2.69Å; I684-K687 PolarHBondContact O-N 2.76Å; I684-K687 VanDerWaalsContact O-N 3.13Å; I684-T692 HydrophobicContact CD1-CG2 3.75Å; I684-T692 HydrophobicContact CG1-CG2 3.59Å; I684-T692 WeakPolarHBondContact CG1-OG1 3.25Å |
| 685 | L | 82.3 | Confident | 80.1 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.3 | -30 | 178.9 | -169.7 | 137.5 | 0 | 0 | 0 | 112.9 | L637 K657 Y660 L661 C681 I682 A683 K687 | L637-L685 HydrophobicContact CD1-CD2 4.12Å; L637-L685 HydrophobicContact CD2-CD2 4.07Å; K657-L685 HydrophobicContact CB-CD1 4.35Å; K657-L685 HydrophobicContact CD-CD2 4.35Å; K657-L685 HydrophobicContact CG-CD1 4.29Å; Y660-L685 HydrophobicContact CD1-CB 4.3Å; Y660-L685 HydrophobicContact CD1-CD1 3.42Å; Y660-L685 VanDerWaalsContact CD1-CD1 3.42Å; Y660-L685 HydrophobicContact CD1-CG 4.46Å; Y660-L685 HydrophobicContact CE1-CB 4.18Å; Y660-L685 HydrophobicContact CE1-CD1 4.14Å; Y660-L685 HydrophobicContact CG-CD1 4.1Å; L661-L685 HydrophobicContact CD2-CD1 4.32Å; L661-L685 HydrophobicContact CG-CD1 4.16Å; C681-L685 PolarHBondContact O-N 2.74Å; I682-L685 CarbonylContact O-C 3.52Å; I682-L685 WeakPolarHBondContact O-CA 3.23Å; I682-L685 WeakPolarHBondContact O-CB 3.37Å; I682-L685 PolarHBondContact O-N 2.86Å; I682-L685 VanDerWaalsContact O-N 3.07Å; A683-L685 PolarHBondContact O-N 3.43Å; L685-K687 VanDerWaalsContact C-N 3.26Å |
| 686 | E | 80.5 | Confident | 80.7 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -80.8 | -2.1 | 171.3 | -67.7 | -170.4 | 148.8 | 0 | 0 | 113.5 | L637 I682 A683 D688 | L637-E686 HydrophobicContact CD2-CG 3.78Å; L637-E686 WeakPolarHBondContact CD2-OE1 3.46Å; I682-E686 PolarHBondContact O-N 3.3Å; A683-E686 CarbonylContact O-C 3.53Å; A683-E686 PolarHBondContact O-N 3.08Å; A683-E686 VanDerWaalsContact O-N 3.14Å; E686-D688 VanDerWaalsContact C-N 3.26Å |
| 687 | K | 81.8 | Confident | 81.3 | Confident | 169 Ų | 169 | 56.4 Ų | 56.4 | 74% | 0.735 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 23.9 | -173.1 | -53.2 | 179 | 177.4 | -179.1 | 0 | 114 | A683 I684 L685 F689 | A683-K687 PolarHBondContact O-N 3.39Å; A683-K687 VanDerWaalsContact O-N 3.07Å; I684-K687 PolarHBondContact O-N 2.76Å; I684-K687 VanDerWaalsContact O-N 3.13Å; L685-K687 VanDerWaalsContact C-N 3.26Å; K687-F689 PolarHBondContact O-N 2.79Å |
| 688 | D | 82 | Confident | 81.7 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | trans | -91.3 | 78.5 | 173.9 | -165.4 | -12.8 | 0 | 0 | 0 | 111.1 | A683 E686 R690 A691 T692 | A683-D688 HydrophobicContact CB-CB 4.35Å; A683-D688 PolarHBondContact O-N 3.34Å; E686-D688 VanDerWaalsContact C-N 3.26Å; D688-R690 VanDerWaalsContact C-N 3.25Å; D688-R690 PolarHBondContact O-N 3.12Å; D688-R690 PolarHBondContact OD1-N 2.85Å; D688-A691 HydrophobicContact CB-CB 4.13Å; D688-A691 WeakPolarHBondContact OD1-CB 3.46Å; D688-A691 PolarHBondContact OD1-N 3.3Å; D688-A691 WeakPolarHBondContact OD2-CB 3.23Å; D688-T692 PolarHBondContact O-N 3.27Å; D688-T692 PolarHBondContact O-OG1 3.19Å | ||
| 689 | F | 84.3 | Confident | 81.8 | Confident | 66 Ų | 66 | 62.1 Ų | 62.1 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.5 | -25.5 | 178.8 | -54.1 | -65.6 | 0 | 0 | 0 | 112.7 | K687 T692 E693 L712 | K687-F689 PolarHBondContact O-N 2.79Å; F689-T692 WeakPolarHBondContact O-CB 3.32Å; F689-T692 PolarHBondContact O-N 3.39Å; F689-E693 WeakPolarHBondContact O-CB 3.3Å; F689-E693 PolarHBondContact O-N 3.47Å; F689-L712 HydrophobicContact CD1-CD1 4.08Å; F689-L712 HydrophobicContact CE1-CD1 4.2Å; F689-L712 HydrophobicContact CE1-CD2 4.23Å; F689-L712 HydrophobicContact CZ-CD2 4.39Å |
| 690 | R | 84.2 | Confident | 81.9 | Confident | 200 Ų | 200 | 62.8 Ų | 62.8 | 76% | 0.755 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -73.3 | -43.5 | 178.2 | -73.2 | -174.4 | 176.1 | 176.2 | -1.2 | 111.5 | D688 T692 E693 N694 | D688-R690 VanDerWaalsContact C-N 3.25Å; D688-R690 PolarHBondContact O-N 3.12Å; D688-R690 PolarHBondContact OD1-N 2.85Å; R690-T692 PolarHBondContact O-N 3.17Å; R690-E693 PolarHBondContact O-N 3.42Å; R690-N694 PolarHBondContact O-N 3.07Å; R690-N694 PolarHBondContact O-ND2 3.43Å |
| 691 | A | 80.2 | Confident | 82.1 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 24% | 0.24 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | A683 D688 N694 I695 | A683-A691 HydrophobicContact CB-CB 4.03Å; D688-A691 HydrophobicContact CB-CB 4.13Å; D688-A691 WeakPolarHBondContact OD1-CB 3.46Å; D688-A691 PolarHBondContact OD1-N 3.3Å; D688-A691 WeakPolarHBondContact OD2-CB 3.23Å; A691-N694 PolarHBondContact O-N 2.9Å; A691-I695 WeakPolarHBondContact O-CD1 3.2Å; A691-I695 WeakPolarHBondContact O-CG1 3.05Å; A691-I695 PolarHBondContact O-N 3.42Å |
| 692 | T | 82.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 176.2 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | A680 I684 D688 F689 R690 N694 I695 F696 L708 | A680-T692 HydrophobicContact CB-CG2 4.27Å; I684-T692 HydrophobicContact CD1-CG2 3.75Å; I684-T692 HydrophobicContact CG1-CG2 3.59Å; I684-T692 WeakPolarHBondContact CG1-OG1 3.25Å; D688-T692 PolarHBondContact O-N 3.27Å; D688-T692 PolarHBondContact O-OG1 3.19Å; F689-T692 WeakPolarHBondContact O-CB 3.32Å; F689-T692 PolarHBondContact O-N 3.39Å; R690-T692 PolarHBondContact O-N 3.17Å; T692-N694 PolarHBondContact O-N 3.4Å; T692-I695 PolarHBondContact O-N 3.03Å; T692-F696 HydrophobicContact CG2-CD2 3.81Å; T692-F696 HydrophobicContact CG2-CE2 3.5Å; T692-F696 VanDerWaalsContact CG2-CE2 3.5Å; T692-F696 HydrophobicContact CG2-CZ 4.29Å; T692-F696 PolarHBondContact O-N 3.09Å; T692-L708 HydrophobicContact CG2-CD2 3.98Å |
| 693 | E | 82.2 | Confident | 82.4 | Confident | 42 Ų | 42 | 69.8 Ų | 69.8 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.9 | -48.3 | 176 | -179.5 | -173.6 | 147.1 | 0 | 0 | 111 | F689 R690 I695 F696 L697 V705 Y709 | F689-E693 WeakPolarHBondContact O-CB 3.3Å; F689-E693 PolarHBondContact O-N 3.47Å; R690-E693 PolarHBondContact O-N 3.42Å; E693-I695 VanDerWaalsContact C-N 3.27Å; E693-I695 PolarHBondContact O-N 3.43Å; E693-F696 PolarHBondContact O-N 3.06Å; E693-L697 HydrophobicContact CG-CD1 3.7Å; E693-L697 HydrophobicContact CG-CG 4.13Å; E693-L697 VanDerWaalsContact O-CB 3.31Å; E693-L697 WeakPolarHBondContact O-CB 3.47Å; E693-L697 VanDerWaalsContact O-CG 3.29Å; E693-L697 WeakPolarHBondContact O-CG 3.36Å; E693-L697 PolarHBondContact O-N 3.16Å; E693-V705 HydrophobicContact CG-CG1 4.42Å; E693-Y709 PolarHBondContact OE2-OH 3.24Å |
| 694 | N | 84.1 | Confident | 82.5 | Confident | 107 Ų | 107 | 72.9 Ų | 72.9 | 57% | 0.572 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.3 | -40 | 177.6 | -73.3 | -25.5 | 0 | 0 | 0 | 111.8 | R690 A691 T692 S698 | R690-N694 PolarHBondContact O-N 3.07Å; R690-N694 PolarHBondContact O-ND2 3.43Å; A691-N694 PolarHBondContact O-N 2.9Å; T692-N694 PolarHBondContact O-N 3.4Å; N694-S698 VanDerWaalsContact O-CB 3.27Å; N694-S698 WeakPolarHBondContact O-CB 3.48Å; N694-S698 PolarHBondContact O-N 2.85Å; N694-S698 PolarHBondContact O-OG 2.85Å |
| 695 | I | 83.8 | Confident | 82.6 | Confident | 31 Ų | 31 | 70.5 Ų | 70.5 | 16% | 0.159 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 177.4 | -65.8 | 162.3 | 0 | 0 | 0 | 110.9 | S676 Q679 A680 A691 T692 E693 S698 Q699 | S676-I695 WeakPolarHBondContact O-CG2 3.46Å; Q679-I695 HydrophobicContact CB-CD1 4.16Å; A680-I695 HydrophobicContact CB-CB 4.24Å; A680-I695 HydrophobicContact CB-CD1 4.11Å; A680-I695 HydrophobicContact CB-CG2 3.92Å; A691-I695 WeakPolarHBondContact O-CD1 3.2Å; A691-I695 WeakPolarHBondContact O-CG1 3.05Å; A691-I695 PolarHBondContact O-N 3.42Å; T692-I695 PolarHBondContact O-N 3.03Å; E693-I695 VanDerWaalsContact C-N 3.27Å; E693-I695 PolarHBondContact O-N 3.43Å; I695-S698 PolarHBondContact O-N 3.4Å; I695-S698 PolarHBondContact O-OG 3.29Å; I695-Q699 WeakPolarHBondContact O-CG 3.17Å; I695-Q699 PolarHBondContact O-N 2.72Å |
| 696 | F | 84.2 | Confident | 82.7 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 13% | 0.132 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 179.1 | -72 | -41 | 0 | 0 | 0 | 113.3 | A680 T692 E693 S698 Q699 N700 S701 D704 V705 L708 | A680-F696 HydrophobicContact CB-CE1 4.38Å; A680-F696 HydrophobicContact CB-CZ 4.35Å; T692-F696 HydrophobicContact CG2-CD2 3.81Å; T692-F696 HydrophobicContact CG2-CE2 3.5Å; T692-F696 VanDerWaalsContact CG2-CE2 3.5Å; T692-F696 HydrophobicContact CG2-CZ 4.29Å; T692-F696 PolarHBondContact O-N 3.09Å; E693-F696 PolarHBondContact O-N 3.06Å; F696-S698 VanDerWaalsContact C-N 3.31Å; F696-S698 PolarHBondContact O-N 3.26Å; F696-Q699 CarbonylContact O-C 3.53Å; F696-Q699 PolarHBondContact O-N 2.96Å; F696-Q699 VanDerWaalsContact O-N 3.1Å; F696-N700 PolarHBondContact O-N 3.25Å; F696-N700 VanDerWaalsContact O-N 3.17Å; F696-S701 PolarHBondContact O-N 3.41Å; F696-S701 VanDerWaalsContact O-N 3.13Å; F696-D704 HydrophobicContact CD1-CB 4.44Å; F696-D704 HydrophobicContact CG-CB 4.45Å; F696-V705 HydrophobicContact CB-CG2 3.42Å; F696-V705 VanDerWaalsContact CB-CG2 3.42Å; F696-V705 HydrophobicContact CD2-CG2 4.26Å; F696-V705 HydrophobicContact CG-CG2 4.28Å; F696-L708 HydrophobicContact CD2-CD2 4.48Å; F696-L708 HydrophobicContact CE2-CD2 4.38Å |
| 697 | L | 84.2 | Confident | 83 | Confident | 46 Ų | 46 | 71 Ų | 71 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 173.7 | -71.1 | 179.1 | 0 | 0 | 0 | 111.4 | E693 Q699 N700 V705 | E693-L697 HydrophobicContact CG-CD1 3.7Å; E693-L697 HydrophobicContact CG-CG 4.13Å; E693-L697 VanDerWaalsContact O-CB 3.31Å; E693-L697 WeakPolarHBondContact O-CB 3.47Å; E693-L697 VanDerWaalsContact O-CG 3.29Å; E693-L697 WeakPolarHBondContact O-CG 3.36Å; E693-L697 PolarHBondContact O-N 3.16Å; L697-Q699 PolarHBondContact O-N 2.94Å; L697-N700 PolarHBondContact O-N 2.91Å; L697-V705 HydrophobicContact CD2-CG2 4.3Å; L697-V705 HydrophobicContact CG-CG2 4.41Å |
| 698 | S | 81.7 | Confident | 83.2 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 66% | 0.657 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.8 | -25.3 | 173.5 | 77.8 | 0 | 0 | 0 | 0 | 113.1 | N694 I695 F696 | N694-S698 VanDerWaalsContact O-CB 3.27Å; N694-S698 WeakPolarHBondContact O-CB 3.48Å; N694-S698 PolarHBondContact O-N 2.85Å; N694-S698 PolarHBondContact O-OG 2.85Å; I695-S698 PolarHBondContact O-N 3.4Å; I695-S698 PolarHBondContact O-OG 3.29Å; F696-S698 VanDerWaalsContact C-N 3.31Å; F696-S698 PolarHBondContact O-N 3.26Å |
| 699 | Q | 78.2 | Confident | 83.5 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -1.9 | 174.9 | -65.9 | 179.5 | 29.2 | 0 | 0 | 113.4 | N677 I695 F696 L697 S701 | N677-Q699 VanDerWaalsContact OD1-CD 3.25Å; N677-Q699 PolarHBondContact OD1-NE2 3.37Å; N677-Q699 PolarHBondContact OD1-OE1 2.92Å; I695-Q699 WeakPolarHBondContact O-CG 3.17Å; I695-Q699 PolarHBondContact O-N 2.72Å; F696-Q699 CarbonylContact O-C 3.53Å; F696-Q699 PolarHBondContact O-N 2.96Å; F696-Q699 VanDerWaalsContact O-N 3.1Å; L697-Q699 PolarHBondContact O-N 2.94Å; Q699-S701 PolarHBondContact O-N 3.49Å |
| 700 | N | 78.6 | Confident | 83.6 | Confident | 129 Ų | 129 | 62.3 Ų | 62.3 | 69% | 0.69 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 22.9 | -175.5 | -155.4 | 31.7 | 0 | 0 | 0 | 114.4 | F696 L697 I702 | F696-N700 PolarHBondContact O-N 3.25Å; F696-N700 VanDerWaalsContact O-N 3.17Å; L697-N700 PolarHBondContact O-N 2.91Å; N700-I702 PolarHBondContact O-N 3.16Å |
| 701 | S | 81.1 | Confident | 83.6 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | trans | -87.9 | 68.8 | 178.1 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | F696 Q699 E703 D704 V705 | F696-S701 PolarHBondContact O-N 3.41Å; F696-S701 VanDerWaalsContact O-N 3.13Å; Q699-S701 PolarHBondContact O-N 3.49Å; S701-E703 PolarHBondContact O-N 3.37Å; S701-D704 VanDerWaalsContact CB-OD2 3.3Å; S701-D704 WeakPolarHBondContact CB-OD2 2.9Å; S701-D704 PolarHBondContact O-N 2.71Å; S701-V705 PolarHBondContact O-N 2.87Å | ||
| 702 | I | 83 | Confident | 83.8 | Confident | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.138 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -33.4 | -178.7 | -57.7 | 161.3 | 0 | 0 | 0 | 111.2 | N700 D704 V705 V706 K725 W727 | N700-I702 PolarHBondContact O-N 3.16Å; I702-D704 VanDerWaalsContact C-N 3.33Å; I702-D704 PolarHBondContact O-N 3.26Å; I702-V705 PolarHBondContact O-N 3.36Å; I702-V706 HydrophobicContact CG2-CG2 4.15Å; I702-V706 WeakPolarHBondContact O-CG2 3.41Å; I702-V706 PolarHBondContact O-N 3.24Å; I702-K725 HydrophobicContact CD1-CB 3.79Å; I702-K725 HydrophobicContact CD1-CG 4.14Å; I702-K725 HydrophobicContact CG1-CG 4.46Å; I702-W727 HydrophobicContact CG2-CG 4.42Å |
| 703 | E | 85.2 | Confident | 83.7 | Confident | 140 Ų | 140 | 65.6 Ų | 65.6 | 65% | 0.654 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.2 | -39.3 | 176.2 | -66.3 | -175.9 | 174.7 | 0 | 0 | 112.4 | S701 K707 | S701-E703 PolarHBondContact O-N 3.37Å; E703-K707 WeakPolarHBondContact O-CB 3.36Å; E703-K707 PolarHBondContact O-N 2.68Å |
| 704 | D | 84.1 | Confident | 83.8 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70 | -34.6 | 178.3 | -69.8 | -36.3 | 0 | 0 | 0 | 111.5 | F696 S701 I702 L708 | F696-D704 HydrophobicContact CD1-CB 4.44Å; F696-D704 HydrophobicContact CG-CB 4.45Å; S701-D704 VanDerWaalsContact CB-OD2 3.3Å; S701-D704 WeakPolarHBondContact CB-OD2 2.9Å; S701-D704 PolarHBondContact O-N 2.71Å; I702-D704 VanDerWaalsContact C-N 3.33Å; I702-D704 PolarHBondContact O-N 3.26Å; D704-L708 WeakPolarHBondContact O-CB 3.42Å; D704-L708 PolarHBondContact O-N 3.44Å |
| 705 | V | 85.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.9 | -46.7 | 174.8 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | E693 F696 L697 S701 I702 K707 L708 Y709 I721 | E693-V705 HydrophobicContact CG-CG1 4.42Å; F696-V705 HydrophobicContact CB-CG2 3.42Å; F696-V705 VanDerWaalsContact CB-CG2 3.42Å; F696-V705 HydrophobicContact CD2-CG2 4.26Å; F696-V705 HydrophobicContact CG-CG2 4.28Å; L697-V705 HydrophobicContact CD2-CG2 4.3Å; L697-V705 HydrophobicContact CG-CG2 4.41Å; S701-V705 PolarHBondContact O-N 2.87Å; I702-V705 PolarHBondContact O-N 3.36Å; V705-K707 VanDerWaalsContact C-N 3.3Å; V705-K707 PolarHBondContact O-N 3.13Å; V705-L708 WeakPolarHBondContact O-CB 3.35Å; V705-L708 PolarHBondContact O-N 3.29Å; V705-Y709 HydrophobicContact CG1-CD2 3.68Å; V705-Y709 HydrophobicContact CG1-CE2 3.71Å; V705-Y709 WeakPolarHBondContact O-CD2 3.39Å; V705-Y709 PolarHBondContact O-N 3.31Å; V705-I721 HydrophobicContact CG1-CD1 3.72Å; V705-I721 HydrophobicContact CG1-CG2 4.17Å |
| 706 | V | 85.2 | Confident | 83.9 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | I702 K710 W727 L733 | I702-V706 HydrophobicContact CG2-CG2 4.15Å; I702-V706 WeakPolarHBondContact O-CG2 3.41Å; I702-V706 PolarHBondContact O-N 3.24Å; V706-K710 WeakPolarHBondContact O-CB 3.23Å; V706-K710 PolarHBondContact O-N 2.97Å; V706-W727 HydrophobicContact CG1-CH2 4.49Å; V706-W727 HydrophobicContact CG1-CZ3 4.4Å; V706-L733 HydrophobicContact CG1-CD1 4.39Å; V706-L733 HydrophobicContact CG1-CD2 4.45Å |
| 707 | K | 87.3 | Confident | 83.9 | Confident | 127 Ų | 127 | 67.8 Ų | 67.8 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.2 | -44.8 | 174.1 | -173.1 | -179.9 | 177.5 | -175 | 0 | 112 | E703 V705 Y709 K710 D711 | E703-K707 WeakPolarHBondContact O-CB 3.36Å; E703-K707 PolarHBondContact O-N 2.68Å; V705-K707 VanDerWaalsContact C-N 3.3Å; V705-K707 PolarHBondContact O-N 3.13Å; K707-Y709 VanDerWaalsContact C-N 3.34Å; K707-Y709 PolarHBondContact O-N 2.74Å; K707-K710 PolarHBondContact O-N 2.87Å; K707-D711 WeakPolarHBondContact O-CB 3.42Å; K707-D711 VanDerWaalsContact O-CG 3.26Å; K707-D711 PolarHBondContact O-N 2.96Å |
| 708 | L | 85.4 | Confident | 84 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 14% | 0.141 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.8 | -50 | 174.6 | 174.7 | 68.1 | 0 | 0 | 0 | 110.7 | T692 F696 D704 V705 D711 L712 | T692-L708 HydrophobicContact CG2-CD2 3.98Å; F696-L708 HydrophobicContact CD2-CD2 4.48Å; F696-L708 HydrophobicContact CE2-CD2 4.38Å; D704-L708 WeakPolarHBondContact O-CB 3.42Å; D704-L708 PolarHBondContact O-N 3.44Å; V705-L708 WeakPolarHBondContact O-CB 3.35Å; V705-L708 PolarHBondContact O-N 3.29Å; L708-D711 PolarHBondContact O-N 3.1Å; L708-L712 HydrophobicContact CD1-CD1 3.99Å; L708-L712 HydrophobicContact CD1-CG 4.43Å; L708-L712 HydrophobicContact CG-CD1 3.98Å; L708-L712 WeakPolarHBondContact O-CB 3.34Å; L708-L712 WeakPolarHBondContact O-CG 3.37Å; L708-L712 PolarHBondContact O-N 2.95Å |
| 709 | Y | 88.3 | Confident | 84.2 | Confident | 14 Ų | 14 | 62 Ų | 62 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.6 | -35.1 | -180 | -78.8 | -61.5 | 0 | 0 | 0 | 113.1 | E693 V705 K707 L712 L713 K714 D717 I721 | E693-Y709 PolarHBondContact OE2-OH 3.24Å; V705-Y709 HydrophobicContact CG1-CD2 3.68Å; V705-Y709 HydrophobicContact CG1-CE2 3.71Å; V705-Y709 WeakPolarHBondContact O-CD2 3.39Å; V705-Y709 PolarHBondContact O-N 3.31Å; K707-Y709 VanDerWaalsContact C-N 3.34Å; K707-Y709 PolarHBondContact O-N 2.74Å; Y709-L712 HydrophobicContact CD1-CD1 4.49Å; Y709-L712 CarbonylContact O-C 3.38Å; Y709-L712 PolarHBondContact O-N 2.85Å; Y709-L713 PolarHBondContact O-N 2.69Å; Y709-L713 VanDerWaalsContact O-N 3.14Å; Y709-K714 HydrophobicContact CD1-CB 3.89Å; Y709-K714 HydrophobicContact CD1-CD 3.86Å; Y709-K714 HydrophobicContact CD1-CG 4.5Å; Y709-K714 HydrophobicContact CE1-CD 4.05Å; Y709-K714 PolarHBondContact O-N 2.95Å; Y709-D717 HydrophobicContact CD1-CB 3.82Å; Y709-D717 HydrophobicContact CD2-CB 4.5Å; Y709-D717 HydrophobicContact CE1-CB 3.93Å; Y709-D717 HydrophobicContact CG-CB 4.12Å; Y709-I721 HydrophobicContact CD2-CD1 3.64Å; Y709-I721 HydrophobicContact CE2-CD1 3.26Å |
| 710 | K | 85.3 | Confident | 84.5 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 37% | 0.365 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 172.5 | -173.9 | 174.9 | 179.6 | 171.7 | 0 | 112.1 | V706 K707 L712 L713 W715 | V706-K710 WeakPolarHBondContact O-CB 3.23Å; V706-K710 PolarHBondContact O-N 2.97Å; K707-K710 PolarHBondContact O-N 2.87Å; K710-L712 VanDerWaalsContact C-N 3.32Å; K710-L713 PolarHBondContact O-N 2.81Å; K710-L713 VanDerWaalsContact O-N 3.08Å; K710-W715 HydrophobicContact CD-CH2 4.37Å; K710-W715 HydrophobicContact CG-CH2 4.3Å; K710-W715 HydrophobicContact CG-CZ2 4.41Å |
| 711 | D | 84.8 | Confident | 84.8 | Confident | 118 Ų | 118 | 60 Ų | 60 | 63% | 0.631 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68 | -32.4 | 176.3 | -71.5 | -12.1 | 0 | 0 | 0 | 111.6 | K707 L708 L713 | K707-D711 WeakPolarHBondContact O-CB 3.42Å; K707-D711 VanDerWaalsContact O-CG 3.26Å; K707-D711 PolarHBondContact O-N 2.96Å; L708-D711 PolarHBondContact O-N 3.1Å; D711-L713 PolarHBondContact O-N 2.77Å |
| 712 | L | 85.4 | Confident | 85 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 0.3 | 171.2 | -69.1 | 171.7 | 0 | 0 | 0 | 113.7 | F689 L708 Y709 K710 K714 | F689-L712 HydrophobicContact CD1-CD1 4.08Å; F689-L712 HydrophobicContact CE1-CD1 4.2Å; F689-L712 HydrophobicContact CE1-CD2 4.23Å; F689-L712 HydrophobicContact CZ-CD2 4.39Å; L708-L712 HydrophobicContact CD1-CD1 3.99Å; L708-L712 HydrophobicContact CD1-CG 4.43Å; L708-L712 HydrophobicContact CG-CD1 3.98Å; L708-L712 WeakPolarHBondContact O-CB 3.34Å; L708-L712 WeakPolarHBondContact O-CG 3.37Å; L708-L712 PolarHBondContact O-N 2.95Å; Y709-L712 HydrophobicContact CD1-CD1 4.49Å; Y709-L712 CarbonylContact O-C 3.38Å; Y709-L712 PolarHBondContact O-N 2.85Å; K710-L712 VanDerWaalsContact C-N 3.32Å; L712-K714 HydrophobicContact CB-CD 4.4Å; L712-K714 HydrophobicContact CB-CG 4.23Å; L712-K714 PolarHBondContact O-N 2.66Å |
| 713 | L | 81 | Confident | 85.1 | Confident | 119 Ų | 119 | 61.2 Ų | 61.2 | 62% | 0.623 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 24.3 | -176.3 | -59.5 | 169.7 | 0 | 0 | 0 | 114.9 | Y709 K710 D711 W715 | Y709-L713 PolarHBondContact O-N 2.69Å; Y709-L713 VanDerWaalsContact O-N 3.14Å; K710-L713 PolarHBondContact O-N 2.81Å; K710-L713 VanDerWaalsContact O-N 3.08Å; D711-L713 PolarHBondContact O-N 2.77Å; L713-W715 PolarHBondContact O-N 3.16Å |
| 714 | K | 83.5 | Confident | 85 | Confident | 89 Ų | 89 | 58.4 Ų | 58.4 | 39% | 0.387 | 30% | 0.299 | S | S | . | . | trans | -100.2 | 72.1 | 179 | -64.3 | -174.6 | 171.5 | -164.7 | 0 | 110.9 | Y709 L712 D716 D717 A718 | Y709-K714 HydrophobicContact CD1-CB 3.89Å; Y709-K714 HydrophobicContact CD1-CD 3.86Å; Y709-K714 HydrophobicContact CD1-CG 4.5Å; Y709-K714 HydrophobicContact CE1-CD 4.05Å; Y709-K714 PolarHBondContact O-N 2.95Å; L712-K714 HydrophobicContact CB-CD 4.4Å; L712-K714 HydrophobicContact CB-CG 4.23Å; L712-K714 PolarHBondContact O-N 2.66Å; K714-D716 VanDerWaalsContact C-N 3.34Å; K714-D716 PolarHBondContact O-N 2.69Å; K714-D717 HydrophobicContact CB-CB 4.3Å; K714-D717 WeakPolarHBondContact CD-OD2 3.43Å; K714-D717 IonicContact NZ-OD2 3.68Å; K714-A718 PolarHBondContact O-N 3.27Å | ||
| 715 | W | 86.2 | Confident | 85 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 8% | 0.076 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -36.1 | -177.1 | -66.6 | 88.9 | 0 | 0 | 0 | 113.4 | K710 L713 A718 I719 L733 D736 Y737 W740 | K710-W715 HydrophobicContact CD-CH2 4.37Å; K710-W715 HydrophobicContact CG-CH2 4.3Å; K710-W715 HydrophobicContact CG-CZ2 4.41Å; L713-W715 PolarHBondContact O-N 3.16Å; W715-A718 PolarHBondContact O-N 2.88Å; W715-I719 VanDerWaalsContact O-CG1 3.28Å; W715-I719 WeakPolarHBondContact O-CG1 3.46Å; W715-I719 PolarHBondContact O-N 3.28Å; W715-L733 HydrophobicContact CE3-CD1 4.12Å; W715-L733 HydrophobicContact CZ3-CD1 3.99Å; W715-D736 HydrophobicContact CZ3-CB 4.28Å; W715-Y737 HydrophobicContact CB-CD2 3.6Å; W715-Y737 HydrophobicContact CB-CE1 4.43Å; W715-Y737 HydrophobicContact CB-CE2 3.52Å; W715-Y737 HydrophobicContact CB-CG 4.12Å; W715-Y737 AromaticContact CD2-CD2 3.8Å; W715-Y737 HydrophobicContact CD2-CD2 3.8Å; W715-Y737 HydrophobicContact CD2-CE2 4.44Å; W715-Y737 HydrophobicContact CD2-CG 4.41Å; W715-Y737 HydrophobicContact CE3-CD2 4.11Å; W715-Y737 HydrophobicContact CE3-CG 4.29Å; W715-Y737 AromaticContact CG-CD2 3.58Å; W715-Y737 HydrophobicContact CG-CD2 3.58Å; W715-Y737 AromaticContact CG-CE2 3.75Å; W715-Y737 HydrophobicContact CG-CE2 3.75Å; W715-Y737 HydrophobicContact CG-CG 4.37Å; W715-W740 HydrophobicContact CZ2-CB 4.42Å; W715-W740 HydrophobicContact CZ2-CD2 4.4Å; W715-W740 HydrophobicContact CZ2-CG 4.1Å; W715-W740 AromaticContact NE1-CD2 3.86Å; W715-W740 AromaticContact NE1-CE2 3.9Å; W715-W740 AromaticContact NE1-CE3 3.98Å |
| 716 | D | 83.7 | Confident | 84.7 | Confident | 90 Ų | 90 | 67.4 Ų | 67.4 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.1 | -47.6 | -178.8 | -57.5 | -46.2 | 0 | 0 | 0 | 111.1 | K714 A718 I719 E720 Y737 | K714-D716 VanDerWaalsContact C-N 3.34Å; K714-D716 PolarHBondContact O-N 2.69Å; D716-A718 VanDerWaalsContact C-N 3.29Å; D716-A718 PolarHBondContact O-N 3.19Å; D716-I719 PolarHBondContact O-N 3.49Å; D716-I719 VanDerWaalsContact O-N 3.15Å; D716-E720 WeakPolarHBondContact O-CB 3.5Å; D716-E720 PolarHBondContact O-N 3.43Å; D716-Y737 PolarHBondContact OD1-OH 2.6Å |
| 717 | D | 83.8 | Confident | 84.6 | Confident | 57 Ų | 57 | 70.1 Ų | 70.1 | 31% | 0.305 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 173.9 | -61.9 | -3.5 | 0 | 0 | 0 | 111.4 | Y709 K714 E720 I721 | Y709-D717 HydrophobicContact CD1-CB 3.82Å; Y709-D717 HydrophobicContact CD2-CB 4.5Å; Y709-D717 HydrophobicContact CE1-CB 3.93Å; Y709-D717 HydrophobicContact CG-CB 4.12Å; K714-D717 HydrophobicContact CB-CB 4.3Å; K714-D717 WeakPolarHBondContact CD-OD2 3.43Å; K714-D717 IonicContact NZ-OD2 3.68Å; D717-E720 PolarHBondContact O-N 3.02Å; D717-I721 WeakPolarHBondContact O-CB 3.4Å; D717-I721 WeakPolarHBondContact O-CD1 3.26Å; D717-I721 VanDerWaalsContact O-CG1 3.29Å; D717-I721 WeakPolarHBondContact O-CG1 3.19Å; D717-I721 PolarHBondContact O-N 2.87Å |
| 718 | A | 86.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K714 W715 D716 A722 L733 | K714-A718 PolarHBondContact O-N 3.27Å; W715-A718 PolarHBondContact O-N 2.88Å; D716-A718 VanDerWaalsContact C-N 3.29Å; D716-A718 PolarHBondContact O-N 3.19Å; A718-A722 VanDerWaalsContact O-CB 3.22Å; A718-A722 WeakPolarHBondContact O-CB 3.2Å; A718-A722 PolarHBondContact O-N 3.37Å; A718-L733 HydrophobicContact CB-CD2 4.45Å |
| 719 | I | 85.2 | Confident | 84.3 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.3 | -43.3 | 176.7 | -69.2 | 166.1 | 0 | 0 | 0 | 110.1 | W715 D716 I721 A722 E723 L730 L733 Y737 | W715-I719 VanDerWaalsContact O-CG1 3.28Å; W715-I719 WeakPolarHBondContact O-CG1 3.46Å; W715-I719 PolarHBondContact O-N 3.28Å; D716-I719 PolarHBondContact O-N 3.49Å; D716-I719 VanDerWaalsContact O-N 3.15Å; I719-I721 VanDerWaalsContact C-N 3.34Å; I719-I721 PolarHBondContact O-N 3.33Å; I719-A722 PolarHBondContact O-N 3.43Å; I719-E723 HydrophobicContact CG2-CG 4.17Å; I719-E723 WeakPolarHBondContact O-CB 3.49Å; I719-E723 WeakPolarHBondContact O-CG 3.47Å; I719-E723 PolarHBondContact O-N 2.83Å; I719-L730 HydrophobicContact CG2-CD1 4.34Å; I719-L733 HydrophobicContact CG1-CD2 3.73Å; I719-L733 HydrophobicContact CG1-CG 4.02Å; I719-Y737 HydrophobicContact CD1-CD1 3.52Å; I719-Y737 HydrophobicContact CD1-CE1 4.05Å; I719-Y737 HydrophobicContact CD1-CG 4.16Å |
| 720 | E | 85 | Confident | 84.2 | Confident | 131 Ų | 131 | 70.3 Ų | 70.3 | 61% | 0.612 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.3 | -44.4 | 178.3 | -172.1 | 176.6 | 177.7 | 0 | 0 | 111.4 | D716 D717 E723 A724 | D716-E720 WeakPolarHBondContact O-CB 3.5Å; D716-E720 PolarHBondContact O-N 3.43Å; D717-E720 PolarHBondContact O-N 3.02Å; E720-E723 PolarHBondContact O-N 3.28Å; E720-A724 VanDerWaalsContact O-CB 3.27Å; E720-A724 WeakPolarHBondContact O-CB 3.31Å; E720-A724 PolarHBondContact O-N 2.99Å |
| 721 | I | 85.6 | Confident | 84 | Confident | 21 Ų | 21 | 72 Ų | 72 | 11% | 0.108 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 176.2 | -67 | 167 | 0 | 0 | 0 | 111.4 | V705 Y709 D717 I719 E723 A724 K725 | V705-I721 HydrophobicContact CG1-CD1 3.72Å; V705-I721 HydrophobicContact CG1-CG2 4.17Å; Y709-I721 HydrophobicContact CD2-CD1 3.64Å; Y709-I721 HydrophobicContact CE2-CD1 3.26Å; D717-I721 WeakPolarHBondContact O-CB 3.4Å; D717-I721 WeakPolarHBondContact O-CD1 3.26Å; D717-I721 VanDerWaalsContact O-CG1 3.29Å; D717-I721 WeakPolarHBondContact O-CG1 3.19Å; D717-I721 PolarHBondContact O-N 2.87Å; I719-I721 VanDerWaalsContact C-N 3.34Å; I719-I721 PolarHBondContact O-N 3.33Å; I721-E723 VanDerWaalsContact C-N 3.35Å; I721-A724 PolarHBondContact O-N 3.22Å; I721-K725 WeakPolarHBondContact O-CB 3.18Å; I721-K725 WeakPolarHBondContact O-CG 3.2Å; I721-K725 PolarHBondContact O-N 2.91Å; I721-K725 VanDerWaalsContact O-N 3.09Å |
| 722 | A | 85.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | A718 I719 N726 W727 L730 L733 | A718-A722 VanDerWaalsContact O-CB 3.22Å; A718-A722 WeakPolarHBondContact O-CB 3.2Å; A718-A722 PolarHBondContact O-N 3.37Å; I719-A722 PolarHBondContact O-N 3.43Å; A722-N726 PolarHBondContact O-N 3.48Å; A722-N726 VanDerWaalsContact O-N 3.14Å; A722-W727 HydrophobicContact CB-CB 4.14Å; A722-W727 HydrophobicContact CB-CE3 4.15Å; A722-W727 PolarHBondContact O-N 3.39Å; A722-L730 HydrophobicContact CB-CD1 3.9Å; A722-L733 HydrophobicContact CB-CD2 4.06Å |
| 723 | E | 84.6 | Confident | 84.2 | Confident | 87 Ų | 87 | 70.8 Ų | 70.8 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.6 | -48.3 | 173.7 | -73.9 | -177.4 | 165 | 0 | 0 | 111.2 | I719 E720 I721 K725 N726 L730 K734 | I719-E723 HydrophobicContact CG2-CG 4.17Å; I719-E723 WeakPolarHBondContact O-CB 3.49Å; I719-E723 WeakPolarHBondContact O-CG 3.47Å; I719-E723 PolarHBondContact O-N 2.83Å; E720-E723 PolarHBondContact O-N 3.28Å; I721-E723 VanDerWaalsContact C-N 3.35Å; E723-K725 PolarHBondContact O-N 3.15Å; E723-N726 PolarHBondContact O-N 2.84Å; E723-L730 HydrophobicContact CG-CD1 3.71Å; E723-L730 HydrophobicContact CG-CD2 3.85Å; E723-L730 HydrophobicContact CG-CG 4.44Å; E723-K734 WeakPolarHBondContact OE1-CE 3.37Å; E723-K734 IonicContact OE1-NZ 2.76Å; E723-K734 PolarHBondContact OE1-NZ 3.08Å |
| 724 | A | 83.9 | Confident | 84.4 | Confident | 81 Ų | 81 | 69.2 Ų | 69.2 | 67% | 0.669 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.7 | -26.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E720 I721 | E720-A724 VanDerWaalsContact O-CB 3.27Å; E720-A724 WeakPolarHBondContact O-CB 3.31Å; E720-A724 PolarHBondContact O-N 2.99Å; I721-A724 PolarHBondContact O-N 3.22Å |
| 725 | K | 83.2 | Confident | 84.4 | Confident | 115 Ų | 115 | 71.7 Ų | 71.7 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 2.6 | -179.7 | -61.7 | -63.9 | -176.6 | -178.4 | 0 | 114.7 | I702 I721 E723 W727 | I702-K725 HydrophobicContact CD1-CB 3.79Å; I702-K725 HydrophobicContact CD1-CG 4.14Å; I702-K725 HydrophobicContact CG1-CG 4.46Å; I721-K725 WeakPolarHBondContact O-CB 3.18Å; I721-K725 WeakPolarHBondContact O-CG 3.2Å; I721-K725 PolarHBondContact O-N 2.91Å; I721-K725 VanDerWaalsContact O-N 3.09Å; E723-K725 PolarHBondContact O-N 3.15Å; K725-W727 PolarHBondContact O-N 3.47Å |
| 726 | N | 79.1 | Confident | 84.4 | Confident | 147 Ų | 147 | 73.5 Ų | 73.5 | 79% | 0.786 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 48.8 | -176 | -71.4 | -32.3 | 0 | 0 | 0 | 113.3 | A722 E723 | A722-N726 PolarHBondContact O-N 3.48Å; A722-N726 VanDerWaalsContact O-N 3.14Å; E723-N726 PolarHBondContact O-N 2.84Å |
| 727 | W | 83.7 | Confident | 84.5 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 24% | 0.242 | 36% | 0.36 | C | S | . | . | trans | -69.9 | 131.3 | -179 | -176.2 | 63.6 | 0 | 0 | 0 | 111.8 | I702 V706 A722 K725 G729 L730 L733 | I702-W727 HydrophobicContact CG2-CG 4.42Å; V706-W727 HydrophobicContact CG1-CH2 4.49Å; V706-W727 HydrophobicContact CG1-CZ3 4.4Å; A722-W727 HydrophobicContact CB-CB 4.14Å; A722-W727 HydrophobicContact CB-CE3 4.15Å; A722-W727 PolarHBondContact O-N 3.39Å; K725-W727 PolarHBondContact O-N 3.47Å; W727-G729 VanDerWaalsContact CE3-C 3.44Å; W727-G729 VanDerWaalsContact CE3-CA 3.49Å; W727-G729 VanDerWaalsContact CZ3-C 3.42Å; W727-G729 VanDerWaalsContact CZ3-CA 3.47Å; W727-G729 WeakPolarHBondContact CZ3-O 3.08Å; W727-G729 PolarHBondContact O-N 2.87Å; W727-L730 WeakPolarHBondContact O-CB 3.32Å; W727-L730 PolarHBondContact O-N 3.09Å; W727-L730 VanDerWaalsContact O-N 3.1Å; W727-L733 HydrophobicContact CZ3-CB 4.26Å | ||
| 728 | S | 83.6 | Confident | 84.4 | Confident | 127 Ų | 127 | 69.3 Ų | 69.3 | 89% | 0.888 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.6 | -174.7 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 729 | G | 82.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 5.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W727 D731 K732 L733 | W727-G729 VanDerWaalsContact CE3-C 3.44Å; W727-G729 VanDerWaalsContact CE3-CA 3.49Å; W727-G729 VanDerWaalsContact CZ3-C 3.42Å; W727-G729 VanDerWaalsContact CZ3-CA 3.47Å; W727-G729 WeakPolarHBondContact CZ3-O 3.08Å; W727-G729 PolarHBondContact O-N 2.87Å; G729-D731 PolarHBondContact O-N 3.07Å; G729-K732 WeakPolarHBondContact O-CB 3.29Å; G729-K732 PolarHBondContact O-N 2.65Å; G729-K732 VanDerWaalsContact O-N 3.12Å; G729-L733 PolarHBondContact O-N 2.9Å |
| 730 | L | 85.7 | Confident | 84.3 | Confident | 32 Ų | 32 | 75.3 Ų | 75.3 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.5 | -45.4 | -174.5 | -178.6 | 66.1 | 0 | 0 | 0 | 113.5 | I719 A722 E723 W727 K732 L733 K734 | I719-L730 HydrophobicContact CG2-CD1 4.34Å; A722-L730 HydrophobicContact CB-CD1 3.9Å; E723-L730 HydrophobicContact CG-CD1 3.71Å; E723-L730 HydrophobicContact CG-CD2 3.85Å; E723-L730 HydrophobicContact CG-CG 4.44Å; W727-L730 WeakPolarHBondContact O-CB 3.32Å; W727-L730 PolarHBondContact O-N 3.09Å; W727-L730 VanDerWaalsContact O-N 3.1Å; L730-K732 VanDerWaalsContact C-N 3.27Å; L730-K732 PolarHBondContact O-N 3.48Å; L730-L733 WeakPolarHBondContact O-CB 3.5Å; L730-L733 PolarHBondContact O-N 2.91Å; L730-K734 HydrophobicContact CD1-CG 4.49Å; L730-K734 HydrophobicContact CG-CD 4.43Å; L730-K734 PolarHBondContact O-N 2.65Å |
| 731 | D | 81.7 | Confident | 84.4 | Confident | 120 Ų | 120 | 69.1 Ų | 69.1 | 64% | 0.642 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.3 | -34 | -179.7 | -73.7 | -21.4 | 0 | 0 | 0 | 112.4 | G729 K735 | G729-D731 PolarHBondContact O-N 3.07Å; D731-K735 WeakPolarHBondContact O-CB 3.4Å; D731-K735 WeakPolarHBondContact O-CG 3.43Å; D731-K735 PolarHBondContact O-N 3.39Å; D731-K735 VanDerWaalsContact O-N 3.14Å |
| 732 | K | 86.8 | Confident | 84.1 | Confident | 147 Ų | 147 | 71.4 Ų | 71.4 | 64% | 0.639 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.7 | -43.1 | 174.8 | -167.9 | 176.8 | 179.6 | -179.6 | 0 | 110.4 | G729 L730 K734 K735 D736 | G729-K732 WeakPolarHBondContact O-CB 3.29Å; G729-K732 PolarHBondContact O-N 2.65Å; G729-K732 VanDerWaalsContact O-N 3.12Å; L730-K732 VanDerWaalsContact C-N 3.27Å; L730-K732 PolarHBondContact O-N 3.48Å; K732-K734 PolarHBondContact O-N 3Å; K732-K735 PolarHBondContact O-N 3.05Å; K732-D736 WeakPolarHBondContact O-CB 3.42Å; K732-D736 PolarHBondContact O-N 3.24Å |
| 733 | L | 87.3 | Confident | 84 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.6 | -172.5 | 67.2 | 0 | 0 | 0 | 112.2 | V706 W715 A718 I719 A722 W727 G729 L730 D736 Y737 | V706-L733 HydrophobicContact CG1-CD1 4.39Å; V706-L733 HydrophobicContact CG1-CD2 4.45Å; W715-L733 HydrophobicContact CE3-CD1 4.12Å; W715-L733 HydrophobicContact CZ3-CD1 3.99Å; A718-L733 HydrophobicContact CB-CD2 4.45Å; I719-L733 HydrophobicContact CG1-CD2 3.73Å; I719-L733 HydrophobicContact CG1-CG 4.02Å; A722-L733 HydrophobicContact CB-CD2 4.06Å; W727-L733 HydrophobicContact CZ3-CB 4.26Å; G729-L733 PolarHBondContact O-N 2.9Å; L730-L733 WeakPolarHBondContact O-CB 3.5Å; L730-L733 PolarHBondContact O-N 2.91Å; L733-D736 PolarHBondContact O-N 3.24Å; L733-Y737 WeakPolarHBondContact O-CB 3.42Å; L733-Y737 PolarHBondContact O-N 3.29Å |
| 734 | K | 84.8 | Confident | 83.9 | Confident | 87 Ų | 87 | 78.2 Ų | 78.2 | 38% | 0.378 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 176.6 | -74.4 | -176.6 | 177 | -179.8 | 0 | 112.5 | E723 L730 K732 Y737 H738 | E723-K734 WeakPolarHBondContact OE1-CE 3.37Å; E723-K734 IonicContact OE1-NZ 2.76Å; E723-K734 PolarHBondContact OE1-NZ 3.08Å; L730-K734 HydrophobicContact CD1-CG 4.49Å; L730-K734 HydrophobicContact CG-CD 4.43Å; L730-K734 PolarHBondContact O-N 2.65Å; K732-K734 PolarHBondContact O-N 3Å; K734-Y737 PolarHBondContact O-N 3.36Å; K734-H738 WeakPolarHBondContact O-CB 3.34Å; K734-H738 PolarHBondContact O-N 3.35Å |
| 735 | K | 84.8 | Confident | 83.6 | Confident | 141 Ų | 141 | 76.9 Ų | 76.9 | 61% | 0.613 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.4 | -44.8 | 174.6 | -76.5 | 177.8 | -177.8 | 175.5 | 0 | 112.1 | D731 K732 Y737 H738 N739 | D731-K735 WeakPolarHBondContact O-CB 3.4Å; D731-K735 WeakPolarHBondContact O-CG 3.43Å; D731-K735 PolarHBondContact O-N 3.39Å; D731-K735 VanDerWaalsContact O-N 3.14Å; K732-K735 PolarHBondContact O-N 3.05Å; K735-Y737 VanDerWaalsContact C-N 3.29Å; K735-Y737 PolarHBondContact O-N 3.02Å; K735-H738 PolarHBondContact O-N 3.37Å; K735-N739 WeakPolarHBondContact O-CB 3.2Å; K735-N739 PolarHBondContact O-N 2.9Å |
| 736 | D | 86.7 | Confident | 83.4 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 176.3 | -72.2 | -4.6 | 0 | 0 | 0 | 110.5 | W715 K732 L733 W740 | W715-D736 HydrophobicContact CZ3-CB 4.28Å; K732-D736 WeakPolarHBondContact O-CB 3.42Å; K732-D736 PolarHBondContact O-N 3.24Å; L733-D736 PolarHBondContact O-N 3.24Å; D736-W740 WeakPolarHBondContact O-CB 3.47Å; D736-W740 PolarHBondContact O-N 2.83Å |
| 737 | Y | 85.9 | Confident | 83.6 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.8 | -44 | 175.6 | -177.5 | -141.3 | 0 | 0 | 0 | 112.5 | W715 D716 I719 L733 K734 K735 W740 L741 L753 | W715-Y737 HydrophobicContact CB-CD2 3.6Å; W715-Y737 HydrophobicContact CB-CE1 4.43Å; W715-Y737 HydrophobicContact CB-CE2 3.52Å; W715-Y737 HydrophobicContact CB-CG 4.12Å; W715-Y737 AromaticContact CD2-CD2 3.8Å; W715-Y737 HydrophobicContact CD2-CD2 3.8Å; W715-Y737 HydrophobicContact CD2-CE2 4.44Å; W715-Y737 HydrophobicContact CD2-CG 4.41Å; W715-Y737 HydrophobicContact CE3-CD2 4.11Å; W715-Y737 HydrophobicContact CE3-CG 4.29Å; W715-Y737 AromaticContact CG-CD2 3.58Å; W715-Y737 HydrophobicContact CG-CD2 3.58Å; W715-Y737 AromaticContact CG-CE2 3.75Å; W715-Y737 HydrophobicContact CG-CE2 3.75Å; W715-Y737 HydrophobicContact CG-CG 4.37Å; D716-Y737 PolarHBondContact OD1-OH 2.6Å; I719-Y737 HydrophobicContact CD1-CD1 3.52Å; I719-Y737 HydrophobicContact CD1-CE1 4.05Å; I719-Y737 HydrophobicContact CD1-CG 4.16Å; L733-Y737 WeakPolarHBondContact O-CB 3.42Å; L733-Y737 PolarHBondContact O-N 3.29Å; K734-Y737 PolarHBondContact O-N 3.36Å; K735-Y737 VanDerWaalsContact C-N 3.29Å; K735-Y737 PolarHBondContact O-N 3.02Å; Y737-W740 AromaticContact CD2-CE3 3.88Å; Y737-W740 HydrophobicContact CD2-CE3 3.88Å; Y737-W740 HydrophobicContact CD2-CZ3 4.4Å; Y737-W740 AromaticContact CE2-CE3 3.86Å; Y737-W740 HydrophobicContact CE2-CE3 3.86Å; Y737-W740 AromaticContact CE2-CZ3 3.92Å; Y737-W740 HydrophobicContact CE2-CZ3 3.92Å; Y737-W740 PolarHBondContact O-N 3.43Å; Y737-L741 HydrophobicContact CD1-CD1 4.2Å; Y737-L741 HydrophobicContact CD2-CD1 4.04Å; Y737-L741 HydrophobicContact CD2-CG 3.95Å; Y737-L741 HydrophobicContact CE1-CD1 3.94Å; Y737-L741 HydrophobicContact CE2-CD1 3.72Å; Y737-L741 HydrophobicContact CE2-CD2 3.87Å; Y737-L741 HydrophobicContact CE2-CG 3.7Å; Y737-L741 HydrophobicContact CG-CD1 4.29Å; Y737-L741 WeakPolarHBondContact O-CB 3.43Å; Y737-L741 VanDerWaalsContact O-CG 3.31Å; Y737-L741 WeakPolarHBondContact O-CG 3.39Å; Y737-L741 PolarHBondContact O-N 3.5Å; Y737-L753 HydrophobicContact CD1-CD1 3.9Å; Y737-L753 HydrophobicContact CE1-CD1 3.94Å; Y737-L753 HydrophobicContact CE1-CD2 4.37Å |
| 738 | H | 81.3 | Confident | 83.5 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 175.8 | -175.8 | 66.4 | 0 | 0 | 0 | 111.6 | K734 K735 W740 L741 T742 | K734-H738 WeakPolarHBondContact O-CB 3.34Å; K734-H738 PolarHBondContact O-N 3.35Å; K735-H738 PolarHBondContact O-N 3.37Å; H738-W740 VanDerWaalsContact C-N 3.34Å; H738-W740 PolarHBondContact O-N 3.17Å; H738-L741 PolarHBondContact O-N 3.04Å; H738-T742 PolarHBondContact O-N 3.43Å; H738-T742 PolarHBondContact O-OG1 3.12Å; H738-T742 VanDerWaalsContact O-OG1 3.04Å |
| 739 | N | 84.6 | Confident | 83.3 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 176.4 | -70.4 | -10 | 0 | 0 | 0 | 110.8 | K735 L741 T742 E743 | K735-N739 WeakPolarHBondContact O-CB 3.2Å; K735-N739 PolarHBondContact O-N 2.9Å; N739-L741 PolarHBondContact O-N 2.54Å; N739-T742 WeakPolarHBondContact CA-OG1 3.45Å; N739-T742 PolarHBondContact O-N 3.1Å; N739-T742 PolarHBondContact O-OG1 3.4Å; N739-E743 WeakPolarHBondContact O-CB 3.43Å; N739-E743 VanDerWaalsContact O-CG 3.29Å; N739-E743 WeakPolarHBondContact O-CG 3.39Å; N739-E743 PolarHBondContact O-N 3.11Å |
| 740 | W | 85.3 | Confident | 83.3 | Confident | 66 Ų | 66 | 68 Ų | 68 | 25% | 0.25 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 175.4 | 179.6 | 82.4 | 0 | 0 | 0 | 112.1 | W715 D736 Y737 H738 E743 T744 | W715-W740 HydrophobicContact CZ2-CB 4.42Å; W715-W740 HydrophobicContact CZ2-CD2 4.4Å; W715-W740 HydrophobicContact CZ2-CG 4.1Å; W715-W740 AromaticContact NE1-CD2 3.86Å; W715-W740 AromaticContact NE1-CE2 3.9Å; W715-W740 AromaticContact NE1-CE3 3.98Å; D736-W740 WeakPolarHBondContact O-CB 3.47Å; D736-W740 PolarHBondContact O-N 2.83Å; Y737-W740 AromaticContact CD2-CE3 3.88Å; Y737-W740 HydrophobicContact CD2-CE3 3.88Å; Y737-W740 HydrophobicContact CD2-CZ3 4.4Å; Y737-W740 AromaticContact CE2-CE3 3.86Å; Y737-W740 HydrophobicContact CE2-CE3 3.86Å; Y737-W740 AromaticContact CE2-CZ3 3.92Å; Y737-W740 HydrophobicContact CE2-CZ3 3.92Å; Y737-W740 PolarHBondContact O-N 3.43Å; H738-W740 VanDerWaalsContact C-N 3.34Å; H738-W740 PolarHBondContact O-N 3.17Å; W740-E743 PolarHBondContact O-N 2.92Å; W740-T744 HydrophobicContact CD2-CG2 4.13Å; W740-T744 HydrophobicContact CG-CG2 4.29Å; W740-T744 HydrophobicContact CZ2-CG2 4.19Å; W740-T744 VanDerWaalsContact O-CB 3.27Å; W740-T744 WeakPolarHBondContact O-CB 3.49Å; W740-T744 WeakPolarHBondContact O-CG2 3.39Å; W740-T744 PolarHBondContact O-N 3.35Å; W740-T744 PolarHBondContact O-OG1 3.33Å |
| 741 | L | 85.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 176.6 | -73.1 | 172 | 0 | 0 | 0 | 112.2 | Y737 H738 N739 T744 G745 Q746 K749 A750 L753 | Y737-L741 HydrophobicContact CD1-CD1 4.2Å; Y737-L741 HydrophobicContact CD2-CD1 4.04Å; Y737-L741 HydrophobicContact CD2-CG 3.95Å; Y737-L741 HydrophobicContact CE1-CD1 3.94Å; Y737-L741 HydrophobicContact CE2-CD1 3.72Å; Y737-L741 HydrophobicContact CE2-CD2 3.87Å; Y737-L741 HydrophobicContact CE2-CG 3.7Å; Y737-L741 HydrophobicContact CG-CD1 4.29Å; Y737-L741 WeakPolarHBondContact O-CB 3.43Å; Y737-L741 VanDerWaalsContact O-CG 3.31Å; Y737-L741 WeakPolarHBondContact O-CG 3.39Å; Y737-L741 PolarHBondContact O-N 3.5Å; H738-L741 PolarHBondContact O-N 3.04Å; N739-L741 PolarHBondContact O-N 2.54Å; L741-T744 PolarHBondContact O-OG1 2.91Å; L741-G745 PolarHBondContact O-N 3.04Å; L741-Q746 HydrophobicContact CD2-CB 3.67Å; L741-Q746 HydrophobicContact CD2-CG 4.4Å; L741-Q746 PolarHBondContact O-N 3.2Å; L741-K749 HydrophobicContact CD1-CB 4.04Å; L741-K749 HydrophobicContact CD2-CB 3.75Å; L741-K749 HydrophobicContact CD2-CD 3.97Å; L741-A750 HydrophobicContact CB-CB 4.38Å; L741-L753 HydrophobicContact CD1-CD1 3.29Å; L741-L753 HydrophobicContact CD1-CG 4.37Å |
| 742 | T | 80.3 | Confident | 83.2 | Confident | 69 Ų | 69 | 63 Ų | 63 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.5 | -39.6 | 176 | 47 | 0 | 0 | 0 | 0 | 113 | H738 N739 G745 | H738-T742 PolarHBondContact O-N 3.43Å; H738-T742 PolarHBondContact O-OG1 3.12Å; H738-T742 VanDerWaalsContact O-OG1 3.04Å; N739-T742 WeakPolarHBondContact CA-OG1 3.45Å; N739-T742 PolarHBondContact O-N 3.1Å; N739-T742 PolarHBondContact O-OG1 3.4Å; T742-G745 PolarHBondContact O-N 2.97Å |
| 743 | E | 84.1 | Confident | 82.9 | Confident | 164 Ų | 164 | 58.8 Ų | 58.8 | 77% | 0.766 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -70.3 | -33.2 | 178.1 | -74.8 | 176.8 | -179.9 | 0 | 0 | 112 | N739 W740 G745 | N739-E743 WeakPolarHBondContact O-CB 3.43Å; N739-E743 VanDerWaalsContact O-CG 3.29Å; N739-E743 WeakPolarHBondContact O-CG 3.39Å; N739-E743 PolarHBondContact O-N 3.11Å; W740-E743 PolarHBondContact O-N 2.92Å; E743-G745 VanDerWaalsContact C-N 3.3Å |
| 744 | T | 82.1 | Confident | 82.7 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -1.7 | 176.7 | 58.7 | 0 | 0 | 0 | 0 | 113.9 | W740 L741 Q746 | W740-T744 HydrophobicContact CD2-CG2 4.13Å; W740-T744 HydrophobicContact CG-CG2 4.29Å; W740-T744 HydrophobicContact CZ2-CG2 4.19Å; W740-T744 VanDerWaalsContact O-CB 3.27Å; W740-T744 WeakPolarHBondContact O-CB 3.49Å; W740-T744 WeakPolarHBondContact O-CG2 3.39Å; W740-T744 PolarHBondContact O-N 3.35Å; W740-T744 PolarHBondContact O-OG1 3.33Å; L741-T744 PolarHBondContact O-OG1 2.91Å; T744-Q746 VanDerWaalsContact C-N 3.27Å; T744-Q746 PolarHBondContact O-N 3.13Å; T744-Q746 PolarHBondContact OG1-NE2 3.23Å |
| 745 | G | 77 | Confident | 82.6 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 55% | 0.546 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 16.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L741 T742 E743 E747 | L741-G745 PolarHBondContact O-N 3.04Å; T742-G745 PolarHBondContact O-N 2.97Å; E743-G745 VanDerWaalsContact C-N 3.3Å; G745-E747 PolarHBondContact O-N 2.86Å |
| 746 | Q | 79.8 | Confident | 82.4 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | trans | -80.9 | 63.7 | 176.8 | -70.6 | 178.5 | 53.7 | 0 | 0 | 111 | L741 T744 E748 K749 A750 | L741-Q746 HydrophobicContact CD2-CB 3.67Å; L741-Q746 HydrophobicContact CD2-CG 4.4Å; L741-Q746 PolarHBondContact O-N 3.2Å; T744-Q746 VanDerWaalsContact C-N 3.27Å; T744-Q746 PolarHBondContact O-N 3.13Å; T744-Q746 PolarHBondContact OG1-NE2 3.23Å; Q746-E748 VanDerWaalsContact C-N 3.3Å; Q746-E748 PolarHBondContact O-N 2.89Å; Q746-K749 PolarHBondContact O-N 3.22Å; Q746-A750 PolarHBondContact O-N 2.93Å; Q746-A750 VanDerWaalsContact O-N 3.1Å | ||
| 747 | E | 82.3 | Confident | 81.7 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 25% | 0.248 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.3 | -30.1 | -175.2 | -67.2 | -172.7 | 144.2 | 0 | 0 | 113.3 | G745 A750 G751 L766 R769 A770 | G745-E747 PolarHBondContact O-N 2.86Å; E747-A750 PolarHBondContact O-N 3.47Å; E747-G751 PolarHBondContact O-N 3.01Å; E747-L766 HydrophobicContact CB-CD2 4.35Å; E747-L766 HydrophobicContact CG-CD2 4.46Å; E747-R769 IonicContact OE1-NH1 2.68Å; E747-R769 WeakPolarHBondContact OE2-CB 3.31Å; E747-A770 HydrophobicContact CB-CB 3.86Å; E747-A770 PolarHBondContact OE2-N 3.1Å |
| 748 | E | 82.1 | Confident | 81.4 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61 | -50.6 | 175.9 | -179.9 | -178 | 179.1 | 0 | 0 | 111.6 | Q746 A750 G751 D752 A770 V772 K775 | Q746-E748 VanDerWaalsContact C-N 3.3Å; Q746-E748 PolarHBondContact O-N 2.89Å; E748-A750 VanDerWaalsContact C-N 3.33Å; E748-G751 WeakPolarHBondContact O-CA 3.22Å; E748-G751 PolarHBondContact O-N 3.21Å; E748-G751 VanDerWaalsContact O-N 3.15Å; E748-D752 PolarHBondContact O-N 3.39Å; E748-A770 HydrophobicContact CB-CB 4.03Å; E748-V772 HydrophobicContact CB-CG2 4.15Å; E748-V772 HydrophobicContact CG-CG2 3.99Å; E748-K775 HydrophobicContact CG-CD 4.2Å; E748-K775 WeakPolarHBondContact OE1-CE 2.91Å; E748-K775 IonicContact OE1-NZ 3.46Å; E748-K775 PolarHBondContact OE1-NZ 2.99Å |
| 749 | K | 79.6 | Confident | 81.4 | Confident | 89 Ų | 89 | 67.8 Ų | 67.8 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.1 | -33.1 | 178.4 | -74.5 | -170.1 | -178.6 | -178 | 0 | 111.9 | L741 Q746 G751 D752 L753 | L741-K749 HydrophobicContact CD1-CB 4.04Å; L741-K749 HydrophobicContact CD2-CB 3.75Å; L741-K749 HydrophobicContact CD2-CD 3.97Å; Q746-K749 PolarHBondContact O-N 3.22Å; K749-G751 VanDerWaalsContact C-N 3.29Å; K749-D752 PolarHBondContact O-N 3.23Å; K749-L753 PolarHBondContact O-N 3.47Å |
| 750 | A | 81.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | L741 Q746 E747 E748 L753 R754 L766 | L741-A750 HydrophobicContact CB-CB 4.38Å; Q746-A750 PolarHBondContact O-N 2.93Å; Q746-A750 VanDerWaalsContact O-N 3.1Å; E747-A750 PolarHBondContact O-N 3.47Å; E748-A750 VanDerWaalsContact C-N 3.33Å; A750-L753 PolarHBondContact O-N 2.99Å; A750-R754 WeakPolarHBondContact O-CG 3.35Å; A750-R754 PolarHBondContact O-N 3.38Å; A750-L766 HydrophobicContact CB-CD1 4.25Å |
| 751 | G | 82.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E747 E748 K749 L753 R754 Q755 | E747-G751 PolarHBondContact O-N 3.01Å; E748-G751 WeakPolarHBondContact O-CA 3.22Å; E748-G751 PolarHBondContact O-N 3.21Å; E748-G751 VanDerWaalsContact O-N 3.15Å; K749-G751 VanDerWaalsContact C-N 3.29Å; G751-L753 VanDerWaalsContact C-N 3.32Å; G751-L753 PolarHBondContact O-N 2.97Å; G751-R754 PolarHBondContact O-N 2.83Å; G751-R754 VanDerWaalsContact O-N 3.14Å; G751-Q755 PolarHBondContact O-N 3.24Å |
| 752 | D | 82.9 | Confident | 81 | Confident | 48 Ų | 48 | 69.8 Ų | 69.8 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 176 | -67.2 | -20.3 | 0 | 0 | 0 | 111.4 | E748 K749 Q755 K756 Y767 K775 | E748-D752 PolarHBondContact O-N 3.39Å; K749-D752 PolarHBondContact O-N 3.23Å; D752-Q755 PolarHBondContact O-N 2.93Å; D752-K756 WeakPolarHBondContact O-CG 3.18Å; D752-K756 PolarHBondContact O-N 3.19Å; D752-Y767 WeakPolarHBondContact CA-OH 3.27Å; D752-Y767 PolarHBondContact N-OH 3.36Å; D752-Y767 WeakPolarHBondContact OD1-CE1 3.34Å; D752-Y767 PolarHBondContact OD1-OH 2.86Å; D752-K775 IonicContact OD1-NZ 3.68Å; D752-K775 PolarHBondContact OD1-NZ 3.08Å; D752-K775 IonicContact OD2-NZ 2.7Å; D752-K775 PolarHBondContact OD2-NZ 3.27Å |
| 753 | L | 80.8 | Confident | 81.2 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 174.4 | -76.9 | 173.3 | 0 | 0 | 0 | 112.7 | Y737 L741 K749 A750 G751 K756 G757 | Y737-L753 HydrophobicContact CD1-CD1 3.9Å; Y737-L753 HydrophobicContact CE1-CD1 3.94Å; Y737-L753 HydrophobicContact CE1-CD2 4.37Å; L741-L753 HydrophobicContact CD1-CD1 3.29Å; L741-L753 HydrophobicContact CD1-CG 4.37Å; K749-L753 PolarHBondContact O-N 3.47Å; A750-L753 PolarHBondContact O-N 2.99Å; G751-L753 VanDerWaalsContact C-N 3.32Å; G751-L753 PolarHBondContact O-N 2.97Å; L753-K756 PolarHBondContact O-N 3.21Å; L753-G757 PolarHBondContact O-N 3.2Å |
| 754 | R | 82.2 | Confident | 81.2 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.4 | -39.1 | 175.8 | -77.7 | -99.8 | -179.8 | 135.2 | 5.6 | 112.2 | A750 G751 K756 G757 G758 D759 A763 L766 | A750-R754 WeakPolarHBondContact O-CG 3.35Å; A750-R754 PolarHBondContact O-N 3.38Å; G751-R754 PolarHBondContact O-N 2.83Å; G751-R754 VanDerWaalsContact O-N 3.14Å; R754-K756 VanDerWaalsContact C-N 3.32Å; R754-K756 PolarHBondContact O-N 3.18Å; R754-G757 CarbonylContact O-C 3.55Å; R754-G757 WeakPolarHBondContact O-CA 3.36Å; R754-G757 PolarHBondContact O-N 2.87Å; R754-G758 PolarHBondContact O-N 3.44Å; R754-G758 VanDerWaalsContact O-N 3.13Å; R754-D759 VanDerWaalsContact CD-OD2 3.26Å; R754-D759 WeakPolarHBondContact CD-OD2 3.39Å; R754-D759 IonicContact CZ-OD2 3.75Å; R754-D759 IonicContact NE-OD2 2.69Å; R754-D759 IonicContact NH1-OD2 3.47Å; R754-D759 PolarHBondContact NH1-OD2 3.34Å; R754-D759 PolarHBondContact O-N 3.47Å; R754-D759 VanDerWaalsContact O-N 3.1Å; R754-A763 HydrophobicContact CB-CB 4.26Å; R754-L766 HydrophobicContact CB-CD1 4.4Å; R754-L766 HydrophobicContact CG-CD1 3.85Å |
| 755 | Q | 83.8 | Confident | 81.4 | Confident | 79 Ų | 79 | 59.4 Ų | 59.4 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 172.4 | -178.9 | -179.1 | -16.4 | 0 | 0 | 110.5 | G751 D752 G757 G758 A763 Y767 L779 | G751-Q755 PolarHBondContact O-N 3.24Å; D752-Q755 PolarHBondContact O-N 2.93Å; Q755-G757 PolarHBondContact O-N 3.14Å; Q755-G758 PolarHBondContact O-N 3.2Å; Q755-A763 HydrophobicContact CB-CB 4.05Å; Q755-Y767 PolarHBondContact OE1-OH 3.23Å; Q755-L779 HydrophobicContact CG-CD1 4.48Å |
| 756 | K | 79.5 | Confident | 81.8 | Confident | 184 Ų | 184 | 58.1 Ų | 58.1 | 80% | 0.8 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.4 | -27.3 | 173.5 | -72.3 | -179.9 | 179.9 | -177.5 | 0 | 113.1 | D752 L753 R754 | D752-K756 WeakPolarHBondContact O-CG 3.18Å; D752-K756 PolarHBondContact O-N 3.19Å; L753-K756 PolarHBondContact O-N 3.21Å; R754-K756 VanDerWaalsContact C-N 3.32Å; R754-K756 PolarHBondContact O-N 3.18Å |
| 757 | G | 73.5 | Confident | 82.2 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 69% | 0.691 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -1.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L753 R754 Q755 | L753-G757 PolarHBondContact O-N 3.2Å; R754-G757 CarbonylContact O-C 3.55Å; R754-G757 WeakPolarHBondContact O-CA 3.36Å; R754-G757 PolarHBondContact O-N 2.87Å; Q755-G757 PolarHBondContact O-N 3.14Å |
| 758 | G | 78.2 | Confident | 82.3 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 52% | 0.515 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 7.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | R754 Q755 F760 | R754-G758 PolarHBondContact O-N 3.44Å; R754-G758 VanDerWaalsContact O-N 3.13Å; Q755-G758 PolarHBondContact O-N 3.2Å; G758-F760 PolarHBondContact O-N 3Å |
| 759 | D | 81.8 | Confident | 82.3 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | trans | -95.4 | 80.4 | 176.3 | 179.4 | 13.3 | 0 | 0 | 0 | 110.7 | R754 G762 A763 | R754-D759 VanDerWaalsContact CD-OD2 3.26Å; R754-D759 WeakPolarHBondContact CD-OD2 3.39Å; R754-D759 IonicContact CZ-OD2 3.75Å; R754-D759 IonicContact NE-OD2 2.69Å; R754-D759 IonicContact NH1-OD2 3.47Å; R754-D759 PolarHBondContact NH1-OD2 3.34Å; R754-D759 PolarHBondContact O-N 3.47Å; R754-D759 VanDerWaalsContact O-N 3.1Å; D759-G762 PolarHBondContact O-N 3.37Å; D759-G762 PolarHBondContact OD1-N 3.16Å; D759-A763 WeakPolarHBondContact O-CB 3.45Å; D759-A763 PolarHBondContact O-N 3.41Å | ||
| 760 | F | 82.9 | Confident | 82.4 | Confident | 64 Ų | 64 | 57 Ų | 57 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | -175.3 | -55.9 | -58.3 | 0 | 0 | 0 | 113.5 | G758 A763 I764 L779 I786 | G758-F760 PolarHBondContact O-N 3Å; F760-A763 PolarHBondContact O-N 3.22Å; F760-I764 WeakPolarHBondContact O-CG1 3.3Å; F760-I764 PolarHBondContact O-N 3.12Å; F760-L779 HydrophobicContact CD1-CD1 4.19Å; F760-I786 HydrophobicContact CB-CD1 3.86Å; F760-I786 HydrophobicContact CG-CD1 4.49Å |
| 761 | N | 82.4 | Confident | 82.3 | Confident | 110 Ų | 110 | 59.3 Ų | 59.3 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.7 | -39.5 | 177.1 | -77.5 | -35.3 | 0 | 0 | 0 | 111.6 | T765 | N761-T765 WeakPolarHBondContact O-CB 3.44Å; N761-T765 PolarHBondContact O-N 2.91Å; N761-T765 PolarHBondContact O-OG1 3.39Å |
| 762 | G | 82.4 | Confident | 82.4 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D759 T765 L766 | D759-G762 PolarHBondContact O-N 3.37Å; D759-G762 PolarHBondContact OD1-N 3.16Å; G762-T765 PolarHBondContact O-N 3.25Å; G762-L766 WeakPolarHBondContact O-CB 3.23Å; G762-L766 VanDerWaalsContact O-CG 3.31Å; G762-L766 WeakPolarHBondContact O-CG 3.43Å; G762-L766 PolarHBondContact O-N 3.12Å |
| 763 | A | 84.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R754 Q755 D759 F760 T765 L766 Y767 L779 | R754-A763 HydrophobicContact CB-CB 4.26Å; Q755-A763 HydrophobicContact CB-CB 4.05Å; D759-A763 WeakPolarHBondContact O-CB 3.45Å; D759-A763 PolarHBondContact O-N 3.41Å; F760-A763 PolarHBondContact O-N 3.22Å; A763-T765 VanDerWaalsContact C-N 3.32Å; A763-T765 PolarHBondContact O-N 2.9Å; A763-L766 CarbonylContact O-C 3.55Å; A763-L766 PolarHBondContact O-N 3Å; A763-Y767 HydrophobicContact CB-CE2 4.03Å; A763-Y767 WeakPolarHBondContact O-CD2 3.13Å; A763-Y767 VanDerWaalsContact O-CG 3.23Å; A763-Y767 PolarHBondContact O-N 3.1Å; A763-L779 HydrophobicContact CB-CD2 4.28Å |
| 764 | I | 83.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 177 | -67 | 174.7 | 0 | 0 | 0 | 110.8 | F760 L766 Y767 L768 A776 L779 I786 L792 | F760-I764 WeakPolarHBondContact O-CG1 3.3Å; F760-I764 PolarHBondContact O-N 3.12Å; I764-L766 VanDerWaalsContact C-N 3.32Å; I764-L766 PolarHBondContact O-N 3.48Å; I764-Y767 PolarHBondContact O-N 2.96Å; I764-L768 HydrophobicContact CG2-CD1 3.89Å; I764-L768 HydrophobicContact CG2-CG 4.25Å; I764-L768 WeakPolarHBondContact O-CB 3.23Å; I764-L768 VanDerWaalsContact O-CG 3.3Å; I764-L768 WeakPolarHBondContact O-CG 3.45Å; I764-L768 PolarHBondContact O-N 2.92Å; I764-A776 HydrophobicContact CG2-CB 4.36Å; I764-L779 HydrophobicContact CD1-CD2 4.24Å; I764-L779 HydrophobicContact CG1-CD2 3.68Å; I764-L779 HydrophobicContact CG1-CG 4.43Å; I764-I786 HydrophobicContact CD1-CD1 3.57Å; I764-I786 HydrophobicContact CD1-CG1 4.16Å; I764-I786 HydrophobicContact CD1-CG2 3.57Å; I764-L792 HydrophobicContact CD1-CD2 4.01Å; I764-L792 HydrophobicContact CG2-CD1 4.1Å |
| 765 | T | 85.3 | Confident | 82.5 | Confident | 80 Ų | 80 | 54.3 Ų | 54.3 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | N761 G762 A763 R769 | N761-T765 WeakPolarHBondContact O-CB 3.44Å; N761-T765 PolarHBondContact O-N 2.91Å; N761-T765 PolarHBondContact O-OG1 3.39Å; G762-T765 PolarHBondContact O-N 3.25Å; A763-T765 VanDerWaalsContact C-N 3.32Å; A763-T765 PolarHBondContact O-N 2.9Å; T765-R769 WeakPolarHBondContact O-CG 3.26Å; T765-R769 PolarHBondContact O-N 3.46Å |
| 766 | L | 85.6 | Confident | 82.5 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 175.6 | -72.3 | 168.2 | 0 | 0 | 0 | 112.2 | E747 A750 R754 G762 A763 I764 R769 A770 | E747-L766 HydrophobicContact CB-CD2 4.35Å; E747-L766 HydrophobicContact CG-CD2 4.46Å; A750-L766 HydrophobicContact CB-CD1 4.25Å; R754-L766 HydrophobicContact CB-CD1 4.4Å; R754-L766 HydrophobicContact CG-CD1 3.85Å; G762-L766 WeakPolarHBondContact O-CB 3.23Å; G762-L766 VanDerWaalsContact O-CG 3.31Å; G762-L766 WeakPolarHBondContact O-CG 3.43Å; G762-L766 PolarHBondContact O-N 3.12Å; A763-L766 CarbonylContact O-C 3.55Å; A763-L766 PolarHBondContact O-N 3Å; I764-L766 VanDerWaalsContact C-N 3.32Å; I764-L766 PolarHBondContact O-N 3.48Å; L766-R769 PolarHBondContact O-N 3.43Å; L766-A770 WeakPolarHBondContact O-CB 3.38Å; L766-A770 PolarHBondContact O-N 2.91Å |
| 767 | Y | 87.6 | Confident | 82.6 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 175.6 | -66.3 | -35.9 | 0 | 0 | 0 | 113.1 | D752 Q755 A763 I764 G771 V772 K775 L779 | D752-Y767 WeakPolarHBondContact CA-OH 3.27Å; D752-Y767 PolarHBondContact N-OH 3.36Å; D752-Y767 WeakPolarHBondContact OD1-CE1 3.34Å; D752-Y767 PolarHBondContact OD1-OH 2.86Å; Q755-Y767 PolarHBondContact OE1-OH 3.23Å; A763-Y767 HydrophobicContact CB-CE2 4.03Å; A763-Y767 WeakPolarHBondContact O-CD2 3.13Å; A763-Y767 VanDerWaalsContact O-CG 3.23Å; A763-Y767 PolarHBondContact O-N 3.1Å; I764-Y767 PolarHBondContact O-N 2.96Å; Y767-G771 PolarHBondContact O-N 2.93Å; Y767-V772 PolarHBondContact O-N 3.39Å; Y767-K775 HydrophobicContact CD1-CB 4.08Å; Y767-K775 HydrophobicContact CD1-CD 4.04Å; Y767-K775 HydrophobicContact CD2-CB 4.1Å; Y767-K775 HydrophobicContact CE1-CB 4.33Å; Y767-K775 HydrophobicContact CE1-CD 3.78Å; Y767-K775 HydrophobicContact CE2-CB 4.32Å; Y767-K775 HydrophobicContact CG-CB 3.99Å; Y767-L779 HydrophobicContact CE2-CD2 4.09Å |
| 768 | L | 84.6 | Confident | 83.1 | Confident | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.4 | -38.9 | 175.8 | -70.6 | 174.7 | 0 | 0 | 0 | 111.5 | I764 G771 A776 | I764-L768 HydrophobicContact CG2-CD1 3.89Å; I764-L768 HydrophobicContact CG2-CG 4.25Å; I764-L768 WeakPolarHBondContact O-CB 3.23Å; I764-L768 VanDerWaalsContact O-CG 3.3Å; I764-L768 WeakPolarHBondContact O-CG 3.45Å; I764-L768 PolarHBondContact O-N 2.92Å; L768-G771 PolarHBondContact O-N 3.35Å; L768-A776 HydrophobicContact CD2-CB 4.23Å; L768-A776 HydrophobicContact CG-CB 4.42Å |
| 769 | R | 83.3 | Confident | 83.3 | Confident | 182 Ų | 182 | 42.9 Ų | 42.9 | 69% | 0.687 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -69.7 | -36.1 | 173.9 | -73.2 | -176.4 | 156.4 | -171.9 | -3.2 | 112.7 | E747 T765 L766 G771 | E747-R769 IonicContact OE1-NH1 2.68Å; E747-R769 WeakPolarHBondContact OE2-CB 3.31Å; T765-R769 WeakPolarHBondContact O-CG 3.26Å; T765-R769 PolarHBondContact O-N 3.46Å; L766-R769 PolarHBondContact O-N 3.43Å; R769-G771 PolarHBondContact O-N 2.64Å |
| 770 | A | 80.9 | Confident | 83.2 | Confident | 37 Ų | 37 | 40 Ų | 40 | 31% | 0.306 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -4.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E747 E748 L766 V772 | E747-A770 HydrophobicContact CB-CB 3.86Å; E747-A770 PolarHBondContact OE2-N 3.1Å; E748-A770 HydrophobicContact CB-CB 4.03Å; L766-A770 WeakPolarHBondContact O-CB 3.38Å; L766-A770 PolarHBondContact O-N 2.91Å; A770-V772 VanDerWaalsContact C-N 3.32Å; A770-V772 HydrophobicContact CB-CG2 3.6Å; A770-V772 PolarHBondContact O-N 3.23Å |
| 771 | G | 80.5 | Confident | 83.1 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 51% | 0.505 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 23.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y767 L768 R769 P773 | Y767-G771 PolarHBondContact O-N 2.93Å; L768-G771 PolarHBondContact O-N 3.35Å; R769-G771 PolarHBondContact O-N 2.64Å; G771-P773 WeakPolarHBondContact O-CD 3.2Å |
| 772 | V | 83.1 | Confident | 83 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 24% | 0.242 | 22% | 0.22 | C | C | . | . | trans | -112.6 | 66.2 | 178.8 | -109.7 | 0 | 0 | 0 | 0 | 110.9 | E748 Y767 A770 G774 K775 A776 | E748-V772 HydrophobicContact CB-CG2 4.15Å; E748-V772 HydrophobicContact CG-CG2 3.99Å; Y767-V772 PolarHBondContact O-N 3.39Å; A770-V772 VanDerWaalsContact C-N 3.32Å; A770-V772 HydrophobicContact CB-CG2 3.6Å; A770-V772 PolarHBondContact O-N 3.23Å; V772-G774 PolarHBondContact O-N 3.28Å; V772-G774 VanDerWaalsContact O-N 3.14Å; V772-K775 PolarHBondContact O-N 3.42Å; V772-A776 PolarHBondContact O-N 3.39Å | ||
| 773 | P | 83.3 | Confident | 82.8 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -21.9 | -179.9 | 27.3 | -34.8 | 0 | 0 | 0 | 112.7 | G771 K775 A776 A777 S799 L800 C803 | G771-P773 WeakPolarHBondContact O-CD 3.2Å; P773-K775 VanDerWaalsContact C-N 3.29Å; P773-K775 PolarHBondContact O-N 3.11Å; P773-A776 PolarHBondContact O-N 2.99Å; P773-A777 VanDerWaalsContact O-CB 3.26Å; P773-A777 WeakPolarHBondContact O-CB 3.16Å; P773-A777 PolarHBondContact O-N 3.34Å; P773-S799 VanDerWaalsContact CB-OG 3.29Å; P773-S799 WeakPolarHBondContact CB-OG 3.38Å; P773-S799 WeakPolarHBondContact CG-OG 3.32Å; P773-L800 HydrophobicContact CB-CD2 4.04Å; P773-L800 HydrophobicContact CB-CG 4.15Å; P773-L800 HydrophobicContact CG-CD2 4.17Å; P773-C803 HydrophobicContact CG-CB 4.17Å |
| 774 | G | 82 | Confident | 82.3 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.3 | -22.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V772 R778 | V772-G774 PolarHBondContact O-N 3.28Å; V772-G774 VanDerWaalsContact O-N 3.14Å; G774-R778 WeakPolarHBondContact O-CG 3.3Å; G774-R778 PolarHBondContact O-N 3.05Å; G774-R778 PolarHBondContact O-NE 3.23Å; G774-R778 VanDerWaalsContact O-NE 3.13Å |
| 775 | K | 83.6 | Confident | 81.6 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -80.8 | -42.9 | 169.4 | -81.7 | -171.6 | 167.6 | -176.6 | 0 | 110.5 | E748 D752 Y767 V772 P773 A777 R778 L779 | E748-K775 HydrophobicContact CG-CD 4.2Å; E748-K775 WeakPolarHBondContact OE1-CE 2.91Å; E748-K775 IonicContact OE1-NZ 3.46Å; E748-K775 PolarHBondContact OE1-NZ 2.99Å; D752-K775 IonicContact OD1-NZ 3.68Å; D752-K775 PolarHBondContact OD1-NZ 3.08Å; D752-K775 IonicContact OD2-NZ 2.7Å; D752-K775 PolarHBondContact OD2-NZ 3.27Å; Y767-K775 HydrophobicContact CD1-CB 4.08Å; Y767-K775 HydrophobicContact CD1-CD 4.04Å; Y767-K775 HydrophobicContact CD2-CB 4.1Å; Y767-K775 HydrophobicContact CE1-CB 4.33Å; Y767-K775 HydrophobicContact CE1-CD 3.78Å; Y767-K775 HydrophobicContact CE2-CB 4.32Å; Y767-K775 HydrophobicContact CG-CB 3.99Å; V772-K775 PolarHBondContact O-N 3.42Å; P773-K775 VanDerWaalsContact C-N 3.29Å; P773-K775 PolarHBondContact O-N 3.11Å; K775-A777 PolarHBondContact O-N 3Å; K775-R778 PolarHBondContact O-N 2.91Å; K775-L779 PolarHBondContact O-N 3.42Å |
| 776 | A | 83 | Confident | 81.1 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I764 L768 V772 P773 R778 L779 A780 I796 | I764-A776 HydrophobicContact CG2-CB 4.36Å; L768-A776 HydrophobicContact CD2-CB 4.23Å; L768-A776 HydrophobicContact CG-CB 4.42Å; V772-A776 PolarHBondContact O-N 3.39Å; P773-A776 PolarHBondContact O-N 2.99Å; A776-R778 PolarHBondContact O-N 3.47Å; A776-L779 PolarHBondContact O-N 2.86Å; A776-A780 WeakPolarHBondContact O-CB 3.46Å; A776-A780 PolarHBondContact O-N 3.41Å; A776-I796 HydrophobicContact CB-CD1 4.36Å; A776-I796 HydrophobicContact CB-CG1 4.25Å |
| 777 | A | 82.2 | Confident | 80.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | P773 K775 A780 L781 I796 L800 L812 | P773-A777 VanDerWaalsContact O-CB 3.26Å; P773-A777 WeakPolarHBondContact O-CB 3.16Å; P773-A777 PolarHBondContact O-N 3.34Å; K775-A777 PolarHBondContact O-N 3Å; A777-A780 PolarHBondContact O-N 3.14Å; A777-L781 WeakPolarHBondContact O-CB 3.49Å; A777-L781 VanDerWaalsContact O-CG 3.31Å; A777-L781 WeakPolarHBondContact O-CG 3.28Å; A777-L781 PolarHBondContact O-N 3.46Å; A777-I796 HydrophobicContact CB-CG2 3.61Å; A777-L800 HydrophobicContact CB-CD1 3.84Å; A777-L800 HydrophobicContact CB-CD2 4.4Å; A777-L800 HydrophobicContact CB-CG 4.49Å; A777-L812 HydrophobicContact CB-CD1 4.09Å |
| 778 | R | 83.4 | Confident | 79.5 | Confident | 133 Ų | 133 | 58.3 Ų | 58.3 | 50% | 0.502 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 173.8 | -85.9 | -176.7 | -83 | -179.1 | -4.7 | 111.1 | G774 K775 A776 A780 L781 I782 | G774-R778 WeakPolarHBondContact O-CG 3.3Å; G774-R778 PolarHBondContact O-N 3.05Å; G774-R778 PolarHBondContact O-NE 3.23Å; G774-R778 VanDerWaalsContact O-NE 3.13Å; K775-R778 PolarHBondContact O-N 2.91Å; A776-R778 PolarHBondContact O-N 3.47Å; R778-A780 VanDerWaalsContact C-N 3.3Å; R778-A780 PolarHBondContact O-N 2.96Å; R778-L781 PolarHBondContact O-N 3.29Å; R778-I782 WeakPolarHBondContact O-CB 3.3Å; R778-I782 WeakPolarHBondContact O-CD1 3.28Å; R778-I782 WeakPolarHBondContact O-CG1 3.44Å; R778-I782 PolarHBondContact O-N 3.39Å |
| 779 | L | 83.1 | Confident | 79.2 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 178.3 | -170.8 | 62.2 | 0 | 0 | 0 | 111.5 | Q755 F760 A763 I764 Y767 K775 A776 I782 E783 I786 | Q755-L779 HydrophobicContact CG-CD1 4.48Å; F760-L779 HydrophobicContact CD1-CD1 4.19Å; A763-L779 HydrophobicContact CB-CD2 4.28Å; I764-L779 HydrophobicContact CD1-CD2 4.24Å; I764-L779 HydrophobicContact CG1-CD2 3.68Å; I764-L779 HydrophobicContact CG1-CG 4.43Å; Y767-L779 HydrophobicContact CE2-CD2 4.09Å; K775-L779 PolarHBondContact O-N 3.42Å; A776-L779 PolarHBondContact O-N 2.86Å; L779-I782 PolarHBondContact O-N 3.2Å; L779-E783 HydrophobicContact CD1-CG 4.25Å; L779-E783 PolarHBondContact O-N 2.94Å; L779-I786 HydrophobicContact CG-CD1 4.27Å |
| 780 | A | 80.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.4 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A776 A777 R778 I786 M793 I796 | A776-A780 WeakPolarHBondContact O-CB 3.46Å; A776-A780 PolarHBondContact O-N 3.41Å; A777-A780 PolarHBondContact O-N 3.14Å; R778-A780 VanDerWaalsContact C-N 3.3Å; R778-A780 PolarHBondContact O-N 2.96Å; A780-I786 HydrophobicContact CB-CG2 3.73Å; A780-M793 HydrophobicContact CB-SD 3.88Å; A780-I796 HydrophobicContact CB-CD1 3.58Å |
| 781 | L | 79.1 | Confident | 79 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -75.7 | -25.1 | 173.1 | -76.7 | 167.9 | 0 | 0 | 0 | 113 | A777 R778 L812 | A777-L781 WeakPolarHBondContact O-CB 3.49Å; A777-L781 VanDerWaalsContact O-CG 3.31Å; A777-L781 WeakPolarHBondContact O-CG 3.28Å; A777-L781 PolarHBondContact O-N 3.46Å; R778-L781 PolarHBondContact O-N 3.29Å; L781-L812 HydrophobicContact CD1-CD2 4.01Å; L781-L812 HydrophobicContact CD2-CD2 3.81Å; L781-L812 HydrophobicContact CG-CD2 3.75Å |
| 782 | I | 81.2 | Confident | 79.1 | Confident | 118 Ų | 118 | 61.7 Ų | 61.7 | 61% | 0.605 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -86.1 | -44.4 | -178.6 | -68.7 | 164.5 | 0 | 0 | 0 | 111.2 | R778 L779 P784 | R778-I782 WeakPolarHBondContact O-CB 3.3Å; R778-I782 WeakPolarHBondContact O-CD1 3.28Å; R778-I782 WeakPolarHBondContact O-CG1 3.44Å; R778-I782 PolarHBondContact O-N 3.39Å; L779-I782 PolarHBondContact O-N 3.2Å; I782-P784 WeakPolarHBondContact O-CD 3.35Å |
| 783 | E | 79 | Confident | 79.1 | Confident | 56 Ų | 56 | 60 Ų | 60 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | trans | -93.9 | 115 | -173.2 | -74 | -60.1 | 163.1 | 0 | 0 | 112.7 | L779 E785 I786 S787 | L779-E783 HydrophobicContact CD1-CG 4.25Å; L779-E783 PolarHBondContact O-N 2.94Å; E783-E785 VanDerWaalsContact C-N 3.26Å; E783-E785 PolarHBondContact O-N 2.95Å; E783-I786 HydrophobicContact CB-CB 4.31Å; E783-I786 HydrophobicContact CB-CD1 3.65Å; E783-I786 HydrophobicContact CB-CG1 4.08Å; E783-I786 HydrophobicContact CG-CD1 4.22Å; E783-I786 PolarHBondContact O-N 2.82Å; E783-S787 PolarHBondContact O-N 2.77Å; E783-S787 VanDerWaalsContact O-N 3.1Å | ||
| 784 | P | 72.8 | Confident | 79 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 62% | 0.623 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66 | -25.8 | -175.2 | 24.5 | -32.2 | 0 | 0 | 0 | 113.3 | I782 I786 | I782-P784 WeakPolarHBondContact O-CD 3.35Å; P784-I786 VanDerWaalsContact C-N 3.26Å; P784-I786 PolarHBondContact O-N 3.13Å |
| 785 | E | 70.3 | Confident | 79.2 | Confident | 154 Ų | 154 | 71.3 Ų | 71.3 | 72% | 0.72 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.5 | -35.4 | 174.5 | -64.5 | -170.1 | 167.8 | 0 | 0 | 111.6 | E783 S788 | E783-E785 VanDerWaalsContact C-N 3.26Å; E783-E785 PolarHBondContact O-N 2.95Å; E785-S788 PolarHBondContact O-OG 2.88Å |
| 786 | I | 73.3 | Confident | 79.2 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -84.5 | -36.1 | -177.1 | -61 | 168.2 | 0 | 0 | 0 | 110.6 | F760 I764 L779 A780 E783 P784 S788 D789 L792 | F760-I786 HydrophobicContact CB-CD1 3.86Å; F760-I786 HydrophobicContact CG-CD1 4.49Å; I764-I786 HydrophobicContact CD1-CD1 3.57Å; I764-I786 HydrophobicContact CD1-CG1 4.16Å; I764-I786 HydrophobicContact CD1-CG2 3.57Å; L779-I786 HydrophobicContact CG-CD1 4.27Å; A780-I786 HydrophobicContact CB-CG2 3.73Å; E783-I786 HydrophobicContact CB-CB 4.31Å; E783-I786 HydrophobicContact CB-CD1 3.65Å; E783-I786 HydrophobicContact CB-CG1 4.08Å; E783-I786 HydrophobicContact CG-CD1 4.22Å; E783-I786 PolarHBondContact O-N 2.82Å; P784-I786 VanDerWaalsContact C-N 3.26Å; P784-I786 PolarHBondContact O-N 3.13Å; I786-S788 PolarHBondContact O-N 2.99Å; I786-S788 VanDerWaalsContact O-N 3.15Å; I786-D789 PolarHBondContact O-N 3.24Å; I786-D789 VanDerWaalsContact O-N 3.12Å; I786-L792 HydrophobicContact CG2-CD2 3.65Å |
| 787 | S | 69.6 | Low | 79.4 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -19.7 | 176.5 | -176.8 | 0 | 0 | 0 | 0 | 113.6 | E783 | E783-S787 PolarHBondContact O-N 2.77Å; E783-S787 VanDerWaalsContact O-N 3.1Å |
| 788 | S | 70.8 | Confident | 79.6 | Confident | 99 Ų | 99 | 74.9 Ų | 74.9 | 69% | 0.692 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.7 | 177.6 | 74.3 | 0 | 0 | 0 | 0 | 113.7 | E785 I786 R790 | E785-S788 PolarHBondContact O-OG 2.88Å; I786-S788 PolarHBondContact O-N 2.99Å; I786-S788 VanDerWaalsContact O-N 3.15Å; S788-R790 PolarHBondContact O-N 2.78Å |
| 789 | D | 77.6 | Confident | 79.6 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | trans | -86.5 | 93.8 | -179.8 | -171.3 | -12.7 | 0 | 0 | 0 | 111.2 | I786 V791 L792 M793 | I786-D789 PolarHBondContact O-N 3.24Å; I786-D789 VanDerWaalsContact O-N 3.12Å; D789-V791 PolarHBondContact O-N 2.92Å; D789-V791 PolarHBondContact OD1-N 3.18Å; D789-L792 HydrophobicContact CB-CB 3.95Å; D789-L792 PolarHBondContact O-N 2.95Å; D789-L792 PolarHBondContact OD1-N 2.93Å; D789-M793 WeakPolarHBondContact O-CG 3.31Å; D789-M793 PolarHBondContact O-N 3.49Å | ||
| 790 | R | 78.7 | Confident | 79.9 | Confident | 167 Ų | 167 | 69.3 Ų | 69.3 | 63% | 0.63 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.1 | -34.1 | 179 | -171.9 | 176.1 | 175.4 | 164 | 6 | 113.1 | S788 M793 E794 | S788-R790 PolarHBondContact O-N 2.78Å; R790-M793 PolarHBondContact O-N 3.26Å; R790-E794 IonicContact CZ-OE1 3.53Å; R790-E794 IonicContact NE-OE1 3.57Å; R790-E794 PolarHBondContact NE-OE1 2.67Å; R790-E794 VanDerWaalsContact NE-OE1 3.14Å; R790-E794 IonicContact NH2-OE1 3.47Å; R790-E794 WeakPolarHBondContact O-CG 3.44Å; R790-E794 PolarHBondContact O-N 3.13Å |
| 791 | V | 82.5 | Confident | 80.1 | Confident | 110 Ų | 110 | 71.6 Ų | 71.6 | 67% | 0.667 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -71.7 | -41.5 | -177.8 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | D789 R795 | D789-V791 PolarHBondContact O-N 2.92Å; D789-V791 PolarHBondContact OD1-N 3.18Å; V791-R795 WeakPolarHBondContact O-CB 3.4Å; V791-R795 PolarHBondContact O-N 3.03Å; V791-R795 VanDerWaalsContact O-N 3.11Å |
| 792 | L | 82 | Confident | 80.3 | Confident | 26 Ų | 26 | 74.9 Ų | 74.9 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 175.8 | -169.1 | 68.7 | 0 | 0 | 0 | 111.6 | I764 I786 D789 R795 I796 | I764-L792 HydrophobicContact CD1-CD2 4.01Å; I764-L792 HydrophobicContact CG2-CD1 4.1Å; I786-L792 HydrophobicContact CG2-CD2 3.65Å; D789-L792 HydrophobicContact CB-CB 3.95Å; D789-L792 PolarHBondContact O-N 2.95Å; D789-L792 PolarHBondContact OD1-N 2.93Å; L792-R795 WeakPolarHBondContact O-CB 3.28Å; L792-R795 PolarHBondContact O-N 3.19Å; L792-I796 HydrophobicContact CG-CD1 4.47Å; L792-I796 VanDerWaalsContact O-CG1 3.32Å; L792-I796 WeakPolarHBondContact O-CG1 3.37Å; L792-I796 PolarHBondContact O-N 2.88Å |
| 793 | M | 82.3 | Confident | 80.4 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.02 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 175.8 | -76.6 | -74.2 | -82.1 | 0 | 0 | 112.7 | A780 D789 R790 R795 I796 I797 L812 | A780-M793 HydrophobicContact CB-SD 3.88Å; D789-M793 WeakPolarHBondContact O-CG 3.31Å; D789-M793 PolarHBondContact O-N 3.49Å; R790-M793 PolarHBondContact O-N 3.26Å; M793-R795 VanDerWaalsContact C-N 3.27Å; M793-R795 PolarHBondContact O-N 3.47Å; M793-I796 PolarHBondContact O-N 2.67Å; M793-I796 VanDerWaalsContact O-N 3.16Å; M793-I797 WeakPolarHBondContact O-CG1 3.42Å; M793-I797 PolarHBondContact O-N 3.15Å; M793-L812 HydrophobicContact CE-CD2 3.63Å; M793-L812 HydrophobicContact SD-CD2 4.17Å |
| 794 | E | 83.2 | Confident | 80.6 | Confident | 86 Ų | 86 | 76.2 Ų | 76.2 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.1 | -37.5 | 174.9 | -75.3 | 174 | -171.6 | 0 | 0 | 111.2 | R790 I796 I797 M798 | R790-E794 IonicContact CZ-OE1 3.53Å; R790-E794 IonicContact NE-OE1 3.57Å; R790-E794 PolarHBondContact NE-OE1 2.67Å; R790-E794 VanDerWaalsContact NE-OE1 3.14Å; R790-E794 IonicContact NH2-OE1 3.47Å; R790-E794 WeakPolarHBondContact O-CG 3.44Å; R790-E794 PolarHBondContact O-N 3.13Å; E794-I796 PolarHBondContact O-N 3.39Å; E794-I797 PolarHBondContact O-N 2.81Å; E794-M798 WeakPolarHBondContact O-CB 3.48Å; E794-M798 VanDerWaalsContact O-CG 3.29Å; E794-M798 WeakPolarHBondContact O-CG 3.17Å; E794-M798 PolarHBondContact O-N 2.82Å |
| 795 | R | 84.5 | Confident | 81 | Confident | 167 Ų | 167 | 75 Ų | 75 | 63% | 0.63 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.5 | -38.9 | 174.4 | -165.6 | 178.1 | -168.9 | 177.5 | 3.8 | 112.8 | V791 L792 M793 S799 | V791-R795 WeakPolarHBondContact O-CB 3.4Å; V791-R795 PolarHBondContact O-N 3.03Å; V791-R795 VanDerWaalsContact O-N 3.11Å; L792-R795 WeakPolarHBondContact O-CB 3.28Å; L792-R795 PolarHBondContact O-N 3.19Å; M793-R795 VanDerWaalsContact C-N 3.27Å; M793-R795 PolarHBondContact O-N 3.47Å; R795-S799 PolarHBondContact O-N 2.9Å; R795-S799 VanDerWaalsContact O-N 3.12Å |
| 796 | I | 85.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67 | -44.5 | 175.2 | -67.1 | 166.8 | 0 | 0 | 0 | 110.4 | A776 A777 A780 L792 M793 E794 S799 L800 L812 | A776-I796 HydrophobicContact CB-CD1 4.36Å; A776-I796 HydrophobicContact CB-CG1 4.25Å; A777-I796 HydrophobicContact CB-CG2 3.61Å; A780-I796 HydrophobicContact CB-CD1 3.58Å; L792-I796 HydrophobicContact CG-CD1 4.47Å; L792-I796 VanDerWaalsContact O-CG1 3.32Å; L792-I796 WeakPolarHBondContact O-CG1 3.37Å; L792-I796 PolarHBondContact O-N 2.88Å; M793-I796 PolarHBondContact O-N 2.67Å; M793-I796 VanDerWaalsContact O-N 3.16Å; E794-I796 PolarHBondContact O-N 3.39Å; I796-S799 PolarHBondContact O-N 2.81Å; I796-L800 HydrophobicContact CG2-CD1 4.01Å; I796-L800 HydrophobicContact CG2-CG 4.34Å; I796-L800 WeakPolarHBondContact O-CG 3.32Å; I796-L800 PolarHBondContact O-N 3.38Å; I796-L812 HydrophobicContact CG2-CD1 3.77Å |
| 797 | I | 86 | Confident | 82.4 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 178.4 | -67.9 | 168.1 | 0 | 0 | 0 | 111.3 | M793 E794 S799 L800 T801 L812 Y813 L816 | M793-I797 WeakPolarHBondContact O-CG1 3.42Å; M793-I797 PolarHBondContact O-N 3.15Å; E794-I797 PolarHBondContact O-N 2.81Å; I797-S799 VanDerWaalsContact C-N 3.26Å; I797-S799 PolarHBondContact O-N 2.78Å; I797-L800 PolarHBondContact O-N 2.85Å; I797-T801 HydrophobicContact CG2-CG2 4.39Å; I797-T801 WeakPolarHBondContact O-CB 3.23Å; I797-T801 WeakPolarHBondContact O-CG2 3.18Å; I797-T801 PolarHBondContact O-N 3.01Å; I797-T801 PolarHBondContact O-OG1 2.98Å; I797-L812 HydrophobicContact CD1-CB 3.85Å; I797-L812 HydrophobicContact CG1-CB 3.66Å; I797-L812 HydrophobicContact CG1-CD1 3.58Å; I797-L812 HydrophobicContact CG1-CG 4.3Å; I797-Y813 HydrophobicContact CG2-CD2 4.46Å; I797-Y813 HydrophobicContact CG2-CE1 3.99Å; I797-Y813 HydrophobicContact CG2-CE2 3.73Å; I797-Y813 VanDerWaalsContact CG2-CZ 3.47Å; I797-Y813 WeakPolarHBondContact CG2-OH 3.34Å; I797-L816 HydrophobicContact CD1-CD1 3.22Å; I797-L816 HydrophobicContact CD1-CG 4.32Å |
| 798 | M | 86.3 | Confident | 83 | Confident | 118 Ų | 118 | 74 Ų | 74 | 58% | 0.581 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.3 | -40.4 | 173.9 | -75.5 | -178.4 | 68.9 | 0 | 0 | 111.6 | E794 T801 Q802 | E794-M798 WeakPolarHBondContact O-CB 3.48Å; E794-M798 VanDerWaalsContact O-CG 3.29Å; E794-M798 WeakPolarHBondContact O-CG 3.17Å; E794-M798 PolarHBondContact O-N 2.82Å; M798-T801 WeakPolarHBondContact CA-OG1 3.5Å; M798-T801 PolarHBondContact O-OG1 3.36Å; M798-Q802 WeakPolarHBondContact O-CB 3.42Å; M798-Q802 VanDerWaalsContact O-CG 3.25Å; M798-Q802 WeakPolarHBondContact O-CG 3.1Å; M798-Q802 PolarHBondContact O-N 3.41Å; M798-Q802 VanDerWaalsContact O-N 3.08Å |
| 799 | S | 84.8 | Confident | 83.6 | Confident | 22 Ų | 22 | 69.3 Ų | 69.3 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72 | -37.4 | 177.1 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | P773 R795 I796 I797 Q802 C803 | P773-S799 VanDerWaalsContact CB-OG 3.29Å; P773-S799 WeakPolarHBondContact CB-OG 3.38Å; P773-S799 WeakPolarHBondContact CG-OG 3.32Å; R795-S799 PolarHBondContact O-N 2.9Å; R795-S799 VanDerWaalsContact O-N 3.12Å; I796-S799 PolarHBondContact O-N 2.81Å; I797-S799 VanDerWaalsContact C-N 3.26Å; I797-S799 PolarHBondContact O-N 2.78Å; S799-Q802 PolarHBondContact O-N 2.94Å; S799-C803 WeakPolarHBondContact O-CB 3.47Å; S799-C803 PolarHBondContact O-N 3.47Å; S799-C803 PolarHBondContact O-SG 2.88Å |
| 800 | L | 87.6 | Confident | 84 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 175.6 | -74.4 | 169.4 | 0 | 0 | 0 | 112.9 | P773 A777 I796 I797 C803 E804 L805 K808 A809 L812 | P773-L800 HydrophobicContact CB-CD2 4.04Å; P773-L800 HydrophobicContact CB-CG 4.15Å; P773-L800 HydrophobicContact CG-CD2 4.17Å; A777-L800 HydrophobicContact CB-CD1 3.84Å; A777-L800 HydrophobicContact CB-CD2 4.4Å; A777-L800 HydrophobicContact CB-CG 4.49Å; I796-L800 HydrophobicContact CG2-CD1 4.01Å; I796-L800 HydrophobicContact CG2-CG 4.34Å; I796-L800 WeakPolarHBondContact O-CG 3.32Å; I796-L800 PolarHBondContact O-N 3.38Å; I797-L800 PolarHBondContact O-N 2.85Å; L800-C803 CarbonylContact O-C 3.56Å; L800-C803 PolarHBondContact O-N 2.71Å; L800-E804 PolarHBondContact O-N 3.12Å; L800-L805 HydrophobicContact CB-CB 4.42Å; L800-L805 HydrophobicContact CD2-CB 3.85Å; L800-L805 HydrophobicContact CD2-CD1 3.65Å; L800-L805 HydrophobicContact CD2-CG 4.42Å; L800-L805 PolarHBondContact O-N 3.13Å; L800-K808 HydrophobicContact CD1-CB 4.12Å; L800-K808 HydrophobicContact CD2-CB 4.19Å; L800-A809 HydrophobicContact CB-CB 4.29Å; L800-L812 HydrophobicContact CD1-CD1 3.28Å; L800-L812 HydrophobicContact CD1-CG 4.3Å |
| 801 | T | 85.2 | Confident | 84.3 | Confident | 47 Ų | 47 | 61 Ų | 61 | 29% | 0.288 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.3 | -36.6 | 176.5 | 47.3 | 0 | 0 | 0 | 0 | 111.5 | I797 M798 C803 E804 A809 Y813 | I797-T801 HydrophobicContact CG2-CG2 4.39Å; I797-T801 WeakPolarHBondContact O-CB 3.23Å; I797-T801 WeakPolarHBondContact O-CG2 3.18Å; I797-T801 PolarHBondContact O-N 3.01Å; I797-T801 PolarHBondContact O-OG1 2.98Å; M798-T801 WeakPolarHBondContact CA-OG1 3.5Å; M798-T801 PolarHBondContact O-OG1 3.36Å; T801-C803 VanDerWaalsContact C-N 3.28Å; T801-C803 PolarHBondContact O-N 3.45Å; T801-E804 PolarHBondContact O-N 3.35Å; T801-A809 HydrophobicContact CG2-CB 3.92Å; T801-Y813 HydrophobicContact CG2-CE2 4.48Å |
| 802 | Q | 84.5 | Confident | 84.3 | Confident | 152 Ų | 152 | 55.9 Ų | 55.9 | 71% | 0.71 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.1 | -29.7 | 170.1 | -77 | 176.6 | -4.4 | 0 | 0 | 113.2 | M798 S799 | M798-Q802 WeakPolarHBondContact O-CB 3.42Å; M798-Q802 VanDerWaalsContact O-CG 3.25Å; M798-Q802 WeakPolarHBondContact O-CG 3.1Å; M798-Q802 PolarHBondContact O-N 3.41Å; M798-Q802 VanDerWaalsContact O-N 3.08Å; S799-Q802 PolarHBondContact O-N 2.94Å |
| 803 | C | 82.2 | Confident | 84.6 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 12.6 | 176.9 | -67.6 | 0 | 0 | 0 | 0 | 114.1 | P773 S799 L800 T801 L805 | P773-C803 HydrophobicContact CG-CB 4.17Å; S799-C803 WeakPolarHBondContact O-CB 3.47Å; S799-C803 PolarHBondContact O-N 3.47Å; S799-C803 PolarHBondContact O-SG 2.88Å; L800-C803 CarbonylContact O-C 3.56Å; L800-C803 PolarHBondContact O-N 2.71Å; T801-C803 VanDerWaalsContact C-N 3.28Å; T801-C803 PolarHBondContact O-N 3.45Å; C803-L805 HydrophobicContact CB-CD1 4.11Å; C803-L805 HydrophobicContact CB-CG 4.31Å; C803-L805 PolarHBondContact O-N 3.02Å |
| 804 | E | 82.8 | Confident | 84.7 | Confident | 144 Ų | 144 | 61.3 Ų | 61.3 | 67% | 0.673 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 20.7 | -178.6 | -58.5 | -176.3 | 166.2 | 0 | 0 | 114.7 | L800 T801 Y806 | L800-E804 PolarHBondContact O-N 3.12Å; T801-E804 PolarHBondContact O-N 3.35Å; E804-Y806 HydrophobicContact CB-CE2 3.9Å; E804-Y806 HydrophobicContact CG-CE2 4.37Å; E804-Y806 VanDerWaalsContact O-CD2 3.24Å; E804-Y806 WeakPolarHBondContact O-CD2 3.47Å; E804-Y806 PolarHBondContact O-N 3.48Å |
| 805 | L | 82.7 | Confident | 84.4 | Confident | 72 Ų | 72 | 60.4 Ų | 60.4 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | trans | -84.7 | 61.4 | 178.2 | -70.4 | 167.7 | 0 | 0 | 0 | 110.6 | L800 C803 E807 K808 A809 | L800-L805 HydrophobicContact CB-CB 4.42Å; L800-L805 HydrophobicContact CD2-CB 3.85Å; L800-L805 HydrophobicContact CD2-CD1 3.65Å; L800-L805 HydrophobicContact CD2-CG 4.42Å; L800-L805 PolarHBondContact O-N 3.13Å; C803-L805 HydrophobicContact CB-CD1 4.11Å; C803-L805 HydrophobicContact CB-CG 4.31Å; C803-L805 PolarHBondContact O-N 3.02Å; L805-E807 VanDerWaalsContact C-N 3.3Å; L805-E807 PolarHBondContact O-N 3.47Å; L805-K808 PolarHBondContact O-N 3.14Å; L805-A809 WeakPolarHBondContact O-CB 3.46Å; L805-A809 PolarHBondContact O-N 3.46Å | ||
| 806 | Y | 87.2 | Confident | 84.2 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -33.9 | -173.3 | -60.2 | -69.7 | 0 | 0 | 0 | 113.6 | E804 A809 G810 C825 Q828 | E804-Y806 HydrophobicContact CB-CE2 3.9Å; E804-Y806 HydrophobicContact CG-CE2 4.37Å; E804-Y806 VanDerWaalsContact O-CD2 3.24Å; E804-Y806 WeakPolarHBondContact O-CD2 3.47Å; E804-Y806 PolarHBondContact O-N 3.48Å; Y806-A809 PolarHBondContact O-N 3.28Å; Y806-G810 PolarHBondContact O-N 2.61Å; Y806-C825 WeakPolarHBondContact CB-O 3.37Å; Y806-C825 WeakPolarHBondContact O-CB 3.38Å; Y806-Q828 HydrophobicContact CD1-CB 4.34Å; Y806-Q828 HydrophobicContact CD2-CB 4.44Å; Y806-Q828 HydrophobicContact CE1-CB 4.48Å; Y806-Q828 HydrophobicContact CG-CB 4.32Å |
| 807 | E | 84.1 | Confident | 83.9 | Confident | 90 Ų | 90 | 58.3 Ų | 58.3 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 178.2 | -173 | -176.6 | -178.5 | 0 | 0 | 111.7 | L805 G810 E811 K834 | L805-E807 VanDerWaalsContact C-N 3.3Å; L805-E807 PolarHBondContact O-N 3.47Å; E807-G810 PolarHBondContact O-N 3.46Å; E807-E811 WeakPolarHBondContact O-CG 3.33Å; E807-E811 PolarHBondContact O-N 2.77Å; E807-K834 HydrophobicContact CG-CD 4.17Å; E807-K834 VanDerWaalsContact CG-NZ 3.31Å; E807-K834 WeakPolarHBondContact OE1-CE 3.12Å; E807-K834 IonicContact OE1-NZ 2.85Å; E807-K834 PolarHBondContact OE1-NZ 3.18Å |
| 808 | K | 82.7 | Confident | 83.8 | Confident | 56 Ų | 56 | 61.9 Ų | 61.9 | 24% | 0.243 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.1 | -33.6 | 178.9 | -64.6 | -148.8 | 177.3 | -158.4 | 0 | 112.7 | L800 L805 G810 E811 L812 | L800-K808 HydrophobicContact CD1-CB 4.12Å; L800-K808 HydrophobicContact CD2-CB 4.19Å; L805-K808 PolarHBondContact O-N 3.14Å; K808-G810 VanDerWaalsContact C-N 3.3Å; K808-E811 PolarHBondContact O-N 2.89Å; K808-L812 WeakPolarHBondContact O-CG 3.15Å; K808-L812 PolarHBondContact O-N 3.04Å |
| 809 | A | 83.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L800 T801 L805 Y806 E811 L812 Y813 | L800-A809 HydrophobicContact CB-CB 4.29Å; T801-A809 HydrophobicContact CG2-CB 3.92Å; L805-A809 WeakPolarHBondContact O-CB 3.46Å; L805-A809 PolarHBondContact O-N 3.46Å; Y806-A809 PolarHBondContact O-N 3.28Å; A809-E811 PolarHBondContact O-N 2.91Å; A809-L812 PolarHBondContact O-N 3.39Å; A809-Y813 HydrophobicContact CB-CD2 4.49Å; A809-Y813 HydrophobicContact CB-CE2 4.5Å; A809-Y813 WeakPolarHBondContact O-CB 3.28Å; A809-Y813 WeakPolarHBondContact O-CD2 3.33Å; A809-Y813 PolarHBondContact O-N 3.45Å |
| 810 | G | 85.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y806 E807 K808 Y813 Q814 | Y806-G810 PolarHBondContact O-N 2.61Å; E807-G810 PolarHBondContact O-N 3.46Å; K808-G810 VanDerWaalsContact C-N 3.3Å; G810-Y813 PolarHBondContact O-N 3.29Å; G810-Q814 VanDerWaalsContact O-CB 3.25Å; G810-Q814 WeakPolarHBondContact O-CB 3.38Å; G810-Q814 PolarHBondContact O-N 2.61Å |
| 811 | E | 84.7 | Confident | 83.6 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 174 | -73.5 | 173.3 | 179.2 | 0 | 0 | 112.6 | E807 K808 A809 Q814 S815 K834 | E807-E811 WeakPolarHBondContact O-CG 3.33Å; E807-E811 PolarHBondContact O-N 2.77Å; K808-E811 PolarHBondContact O-N 2.89Å; A809-E811 PolarHBondContact O-N 2.91Å; E811-Q814 WeakPolarHBondContact O-CB 3.26Å; E811-Q814 PolarHBondContact O-N 3.45Å; E811-S815 PolarHBondContact O-N 3.01Å; E811-K834 IonicContact OE1-NZ 3.17Å; E811-K834 PolarHBondContact OE1-NZ 2.79Å |
| 812 | L | 83.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 175.9 | -68.3 | 178.7 | 0 | 0 | 0 | 111.6 | A777 L781 M793 I796 I797 L800 K808 A809 Q814 S815 L816 | A777-L812 HydrophobicContact CB-CD1 4.09Å; L781-L812 HydrophobicContact CD1-CD2 4.01Å; L781-L812 HydrophobicContact CD2-CD2 3.81Å; L781-L812 HydrophobicContact CG-CD2 3.75Å; M793-L812 HydrophobicContact CE-CD2 3.63Å; M793-L812 HydrophobicContact SD-CD2 4.17Å; I796-L812 HydrophobicContact CG2-CD1 3.77Å; I797-L812 HydrophobicContact CD1-CB 3.85Å; I797-L812 HydrophobicContact CG1-CB 3.66Å; I797-L812 HydrophobicContact CG1-CD1 3.58Å; I797-L812 HydrophobicContact CG1-CG 4.3Å; L800-L812 HydrophobicContact CD1-CD1 3.28Å; L800-L812 HydrophobicContact CD1-CG 4.3Å; K808-L812 WeakPolarHBondContact O-CG 3.15Å; K808-L812 PolarHBondContact O-N 3.04Å; A809-L812 PolarHBondContact O-N 3.39Å; L812-Q814 VanDerWaalsContact C-N 3.31Å; L812-Q814 PolarHBondContact O-N 3.01Å; L812-S815 WeakPolarHBondContact CA-OG 3.4Å; L812-S815 CarbonylContact O-C 3.53Å; L812-S815 WeakPolarHBondContact O-CB 3.46Å; L812-S815 PolarHBondContact O-N 3.11Å; L812-S815 VanDerWaalsContact O-N 3.15Å; L812-S815 PolarHBondContact O-OG 3.14Å; L812-L816 WeakPolarHBondContact O-CG 3.25Å; L812-L816 PolarHBondContact O-N 2.99Å |
| 813 | Y | 87.1 | Confident | 83.9 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 172.5 | -81.2 | -54.9 | 0 | 0 | 0 | 112.2 | I797 T801 A809 G810 S815 L816 G817 Q818 D821 | I797-Y813 HydrophobicContact CG2-CD2 4.46Å; I797-Y813 HydrophobicContact CG2-CE1 3.99Å; I797-Y813 HydrophobicContact CG2-CE2 3.73Å; I797-Y813 VanDerWaalsContact CG2-CZ 3.47Å; I797-Y813 WeakPolarHBondContact CG2-OH 3.34Å; T801-Y813 HydrophobicContact CG2-CE2 4.48Å; A809-Y813 HydrophobicContact CB-CD2 4.49Å; A809-Y813 HydrophobicContact CB-CE2 4.5Å; A809-Y813 WeakPolarHBondContact O-CB 3.28Å; A809-Y813 WeakPolarHBondContact O-CD2 3.33Å; A809-Y813 PolarHBondContact O-N 3.45Å; G810-Y813 PolarHBondContact O-N 3.29Å; Y813-S815 VanDerWaalsContact C-N 3.33Å; Y813-L816 CarbonylContact O-C 3.59Å; Y813-L816 PolarHBondContact O-N 3.49Å; Y813-G817 PolarHBondContact O-N 3.33Å; Y813-G817 VanDerWaalsContact O-N 3.08Å; Y813-Q818 HydrophobicContact CD1-CB 4.09Å; Y813-Q818 VanDerWaalsContact CE1-OE1 3.26Å; Y813-Q818 PolarHBondContact O-N 3.16Å; Y813-D821 HydrophobicContact CD1-CB 3.96Å; Y813-D821 HydrophobicContact CD2-CB 4.04Å; Y813-D821 HydrophobicContact CE1-CB 4.16Å; Y813-D821 HydrophobicContact CE2-CB 4.25Å; Y813-D821 HydrophobicContact CG-CB 3.9Å |
| 814 | Q | 84.7 | Confident | 84.2 | Confident | 98 Ų | 98 | 64.4 Ų | 64.4 | 46% | 0.458 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 173.3 | -171.3 | 172.8 | -2.3 | 0 | 0 | 111.2 | G810 E811 L812 L816 G817 Y826 | G810-Q814 VanDerWaalsContact O-CB 3.25Å; G810-Q814 WeakPolarHBondContact O-CB 3.38Å; G810-Q814 PolarHBondContact O-N 2.61Å; E811-Q814 WeakPolarHBondContact O-CB 3.26Å; E811-Q814 PolarHBondContact O-N 3.45Å; L812-Q814 VanDerWaalsContact C-N 3.31Å; L812-Q814 PolarHBondContact O-N 3.01Å; Q814-L816 VanDerWaalsContact C-N 3.32Å; Q814-L816 PolarHBondContact O-N 3.37Å; Q814-G817 PolarHBondContact O-N 3.3Å; Q814-Y826 PolarHBondContact OE1-OH 3.19Å; Q814-Y826 VanDerWaalsContact OE1-OH 3.08Å |
| 815 | S | 77.5 | Confident | 84.4 | Confident | 66 Ų | 66 | 57.9 Ų | 57.9 | 46% | 0.462 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.7 | -29.1 | 173.8 | 79.8 | 0 | 0 | 0 | 0 | 113.6 | E811 L812 Y813 G817 | E811-S815 PolarHBondContact O-N 3.01Å; L812-S815 WeakPolarHBondContact CA-OG 3.4Å; L812-S815 CarbonylContact O-C 3.53Å; L812-S815 WeakPolarHBondContact O-CB 3.46Å; L812-S815 PolarHBondContact O-N 3.11Å; L812-S815 VanDerWaalsContact O-N 3.15Å; L812-S815 PolarHBondContact O-OG 3.14Å; Y813-S815 VanDerWaalsContact C-N 3.33Å; S815-G817 VanDerWaalsContact C-N 3.33Å |
| 816 | L | 79.6 | Confident | 84.8 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4 | 173.4 | -69.3 | 177.2 | 0 | 0 | 0 | 113.7 | I797 L812 Y813 Q814 | I797-L816 HydrophobicContact CD1-CD1 3.22Å; I797-L816 HydrophobicContact CD1-CG 4.32Å; L812-L816 WeakPolarHBondContact O-CG 3.25Å; L812-L816 PolarHBondContact O-N 2.99Å; Y813-L816 CarbonylContact O-C 3.59Å; Y813-L816 PolarHBondContact O-N 3.49Å; Q814-L816 VanDerWaalsContact C-N 3.32Å; Q814-L816 PolarHBondContact O-N 3.37Å |
| 817 | G | 79.3 | Confident | 84.8 | Confident | 60 Ų | 60 | 57.2 Ų | 57.2 | 62% | 0.619 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | 13 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y813 Q814 S815 S819 | Y813-G817 PolarHBondContact O-N 3.33Å; Y813-G817 VanDerWaalsContact O-N 3.08Å; Q814-G817 PolarHBondContact O-N 3.3Å; S815-G817 VanDerWaalsContact C-N 3.33Å; G817-S819 PolarHBondContact O-N 3.05Å |
| 818 | Q | 83.5 | Confident | 84.9 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | trans | -95.3 | 83.3 | -178.8 | -66.4 | -178.7 | -45.7 | 0 | 0 | 111.5 | Y813 D821 A822 | Y813-Q818 HydrophobicContact CD1-CB 4.09Å; Y813-Q818 VanDerWaalsContact CE1-OE1 3.26Å; Y813-Q818 PolarHBondContact O-N 3.16Å; Q818-D821 HydrophobicContact CB-CB 4.38Å; Q818-A822 PolarHBondContact O-N 2.99Å | ||
| 819 | S | 84.2 | Confident | 84.9 | Confident | 56 Ų | 56 | 56 Ų | 56 | 39% | 0.392 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -71.1 | -31.3 | -172.7 | -61.9 | 0 | 0 | 0 | 0 | 114.8 | G817 M823 | G817-S819 PolarHBondContact O-N 3.05Å; S819-M823 PolarHBondContact O-N 3.19Å |
| 820 | E | 86 | Confident | 85 | Confident | 153 Ų | 153 | 59.9 Ų | 59.9 | 72% | 0.715 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.8 | -45 | 178.4 | -69.2 | -175.5 | 169.9 | 0 | 0 | 111.5 | A822 M823 R824 | E820-A822 VanDerWaalsContact C-N 3.3Å; E820-A822 PolarHBondContact O-N 3.21Å; E820-M823 PolarHBondContact O-N 3.32Å; E820-R824 PolarHBondContact O-N 3.24Å |
| 821 | D | 85.3 | Confident | 84.9 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 33% | 0.326 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 177 | -66.1 | -46.1 | 0 | 0 | 0 | 111.3 | Y813 Q818 R824 C825 | Y813-D821 HydrophobicContact CD1-CB 3.96Å; Y813-D821 HydrophobicContact CD2-CB 4.04Å; Y813-D821 HydrophobicContact CE1-CB 4.16Å; Y813-D821 HydrophobicContact CE2-CB 4.25Å; Y813-D821 HydrophobicContact CG-CB 3.9Å; Q818-D821 HydrophobicContact CB-CB 4.38Å; D821-R824 PolarHBondContact O-N 2.99Å; D821-C825 WeakPolarHBondContact O-CB 3.47Å; D821-C825 PolarHBondContact O-N 2.89Å; D821-C825 PolarHBondContact O-SG 3.16Å |
| 822 | A | 87.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q818 E820 R824 C825 Y826 L838 | Q818-A822 PolarHBondContact O-N 2.99Å; E820-A822 VanDerWaalsContact C-N 3.3Å; E820-A822 PolarHBondContact O-N 3.21Å; A822-R824 VanDerWaalsContact C-N 3.33Å; A822-R824 PolarHBondContact O-N 2.8Å; A822-C825 PolarHBondContact O-N 3.14Å; A822-Y826 HydrophobicContact CB-CE2 4.32Å; A822-Y826 VanDerWaalsContact O-CD2 3.26Å; A822-Y826 WeakPolarHBondContact O-CD2 3.07Å; A822-Y826 PolarHBondContact O-N 3.45Å; A822-L838 HydrophobicContact CB-CD2 4.17Å |
| 823 | M | 88.3 | Confident | 85.3 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 177.5 | -171.5 | 58.8 | 158.7 | 0 | 0 | 111.9 | S819 E820 Y826 R827 A835 L838 A839 F843 L850 | S819-M823 PolarHBondContact O-N 3.19Å; E820-M823 PolarHBondContact O-N 3.32Å; M823-Y826 PolarHBondContact O-N 3Å; M823-R827 WeakPolarHBondContact O-CG 3.41Å; M823-R827 PolarHBondContact O-N 3.4Å; M823-A835 HydrophobicContact CE-CB 4.44Å; M823-A835 HydrophobicContact SD-CB 4.15Å; M823-L838 HydrophobicContact CB-CD2 3.63Å; M823-L838 HydrophobicContact CG-CD2 4.33Å; M823-L838 HydrophobicContact SD-CB 4.46Å; M823-L838 HydrophobicContact SD-CD2 3.92Å; M823-L838 HydrophobicContact SD-CG 4.41Å; M823-A839 HydrophobicContact CE-CB 4.07Å; M823-F843 HydrophobicContact CB-CE2 3.95Å; M823-F843 HydrophobicContact CE-CD2 4.14Å; M823-F843 HydrophobicContact CG-CD2 4.15Å; M823-F843 HydrophobicContact CG-CE2 3.96Å; M823-F843 HydrophobicContact SD-CD2 4.4Å; M823-L850 HydrophobicContact CE-CD1 4.35Å |
| 824 | R | 87.7 | Confident | 85.2 | Confident | 164 Ų | 164 | 64.6 Ų | 64.6 | 62% | 0.619 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.9 | -44.7 | 174.8 | -172.4 | 178.8 | 179.8 | 178.3 | 1.1 | 111.3 | E820 D821 A822 Q828 | E820-R824 PolarHBondContact O-N 3.24Å; D821-R824 PolarHBondContact O-N 2.99Å; A822-R824 VanDerWaalsContact C-N 3.33Å; A822-R824 PolarHBondContact O-N 2.8Å; R824-Q828 WeakPolarHBondContact O-CB 3.2Å; R824-Q828 WeakPolarHBondContact O-CG 3.42Å; R824-Q828 PolarHBondContact O-N 2.97Å |
| 825 | C | 87.7 | Confident | 85.2 | Confident | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.054 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 175.8 | -69.6 | 0 | 0 | 0 | 0 | 112 | Y806 D821 A822 Q828 G829 | Y806-C825 WeakPolarHBondContact CB-O 3.37Å; Y806-C825 WeakPolarHBondContact O-CB 3.38Å; D821-C825 WeakPolarHBondContact O-CB 3.47Å; D821-C825 PolarHBondContact O-N 2.89Å; D821-C825 PolarHBondContact O-SG 3.16Å; A822-C825 PolarHBondContact O-N 3.14Å; C825-Q828 PolarHBondContact O-N 3.35Å; C825-G829 PolarHBondContact O-N 2.74Å |
| 826 | Y | 89.9 | Confident | 85.7 | Confident | 6 Ų | 6 | 57 Ų | 57 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67 | -38.5 | 179.4 | -66.1 | -40.8 | 0 | 0 | 0 | 113.6 | Q814 A822 M823 G829 N830 C831 K834 L838 | Q814-Y826 PolarHBondContact OE1-OH 3.19Å; Q814-Y826 VanDerWaalsContact OE1-OH 3.08Å; A822-Y826 HydrophobicContact CB-CE2 4.32Å; A822-Y826 VanDerWaalsContact O-CD2 3.26Å; A822-Y826 WeakPolarHBondContact O-CD2 3.07Å; A822-Y826 PolarHBondContact O-N 3.45Å; M823-Y826 PolarHBondContact O-N 3Å; Y826-G829 PolarHBondContact O-N 3.3Å; Y826-N830 PolarHBondContact O-N 3.05Å; Y826-C831 PolarHBondContact O-N 3.49Å; Y826-K834 HydrophobicContact CD1-CB 3.9Å; Y826-K834 HydrophobicContact CD1-CD 4.12Å; Y826-K834 HydrophobicContact CD2-CB 4.2Å; Y826-K834 HydrophobicContact CE1-CB 4Å; Y826-K834 HydrophobicContact CE1-CD 3.59Å; Y826-K834 HydrophobicContact CE1-CG 4.41Å; Y826-K834 HydrophobicContact CE2-CB 4.27Å; Y826-K834 HydrophobicContact CG-CB 4.02Å; Y826-L838 HydrophobicContact CD2-CB 4.48Å; Y826-L838 HydrophobicContact CD2-CD2 3.86Å; Y826-L838 HydrophobicContact CE2-CD2 4.06Å |
| 827 | R | 88.7 | Confident | 85.9 | Confident | 112 Ų | 112 | 58.5 Ų | 58.5 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 173.5 | -69.7 | -173.2 | 77.1 | 176.6 | 8.7 | 112 | M823 G829 N830 E853 | M823-R827 WeakPolarHBondContact O-CG 3.41Å; M823-R827 PolarHBondContact O-N 3.4Å; R827-G829 VanDerWaalsContact C-N 3.25Å; R827-G829 PolarHBondContact O-N 2.64Å; R827-N830 PolarHBondContact O-N 3.11Å; R827-E853 IonicContact NH2-OE1 3.04Å; R827-E853 IonicContact NH2-OE2 4Å |
| 828 | Q | 85.9 | Confident | 86.2 | Confident | 94 Ų | 94 | 56.1 Ų | 56.1 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -31.9 | 175.1 | -76.2 | -178.5 | -24.1 | 0 | 0 | 112.3 | Y806 R824 C825 N830 | Y806-Q828 HydrophobicContact CD1-CB 4.34Å; Y806-Q828 HydrophobicContact CD2-CB 4.44Å; Y806-Q828 HydrophobicContact CE1-CB 4.48Å; Y806-Q828 HydrophobicContact CG-CB 4.32Å; R824-Q828 WeakPolarHBondContact O-CB 3.2Å; R824-Q828 WeakPolarHBondContact O-CG 3.42Å; R824-Q828 PolarHBondContact O-N 2.97Å; C825-Q828 PolarHBondContact O-N 3.35Å; Q828-N830 VanDerWaalsContact C-N 3.33Å; Q828-N830 PolarHBondContact O-N 3.35Å |
| 829 | G | 81.7 | Confident | 86.4 | Confident | 26 Ų | 26 | 52.3 Ų | 52.3 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 0.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.9 | C825 Y826 R827 C831 | C825-G829 PolarHBondContact O-N 2.74Å; Y826-G829 PolarHBondContact O-N 3.3Å; R827-G829 VanDerWaalsContact C-N 3.25Å; R827-G829 PolarHBondContact O-N 2.64Å; G829-C831 PolarHBondContact O-N 3.36Å; G829-C831 VanDerWaalsContact O-N 3.14Å; G829-C831 PolarHBondContact O-SG 3.1Å |
| 830 | N | 85.8 | Confident | 86.4 | Confident | 82 Ų | 82 | 57.8 Ų | 57.8 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 24.7 | -171.4 | -57.2 | -50.7 | 0 | 0 | 0 | 114.1 | Y826 R827 Q828 Y832 | Y826-N830 PolarHBondContact O-N 3.05Å; R827-N830 PolarHBondContact O-N 3.11Å; Q828-N830 VanDerWaalsContact C-N 3.33Å; Q828-N830 PolarHBondContact O-N 3.35Å; N830-Y832 VanDerWaalsContact C-N 3.28Å; N830-Y832 HydrophobicContact CB-CE2 4.29Å; N830-Y832 WeakPolarHBondContact O-CD2 3.47Å; N830-Y832 PolarHBondContact O-N 3.32Å; N830-Y832 VanDerWaalsContact O-N 3.08Å |
| 831 | C | 85.7 | Confident | 86.3 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | trans | -87.4 | 65.5 | 179.9 | -66.4 | 0 | 0 | 0 | 0 | 110.1 | Y826 G829 Q833 K834 A835 | Y826-C831 PolarHBondContact O-N 3.49Å; G829-C831 PolarHBondContact O-N 3.36Å; G829-C831 VanDerWaalsContact O-N 3.14Å; G829-C831 PolarHBondContact O-SG 3.1Å; C831-Q833 PolarHBondContact O-N 3.05Å; C831-K834 HydrophobicContact CB-CB 4.38Å; C831-K834 PolarHBondContact O-N 3.44Å; C831-K834 VanDerWaalsContact O-N 3.16Å; C831-A835 PolarHBondContact O-N 3.41Å | ||
| 832 | Y | 88.5 | Confident | 86 | Confident | 35 Ų | 35 | 56.4 Ų | 56.4 | 14% | 0.137 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57 | -32.2 | -176.2 | -65.5 | -76.8 | 0 | 0 | 0 | 113 | N830 A835 I836 L850 E853 Y857 | N830-Y832 VanDerWaalsContact C-N 3.28Å; N830-Y832 HydrophobicContact CB-CE2 4.29Å; N830-Y832 WeakPolarHBondContact O-CD2 3.47Å; N830-Y832 PolarHBondContact O-N 3.32Å; N830-Y832 VanDerWaalsContact O-N 3.08Å; Y832-A835 PolarHBondContact O-N 3.05Å; Y832-I836 WeakPolarHBondContact O-CB 3.3Å; Y832-I836 VanDerWaalsContact O-CG1 3.24Å; Y832-I836 WeakPolarHBondContact O-CG1 3.43Å; Y832-I836 PolarHBondContact O-N 2.99Å; Y832-L850 HydrophobicContact CD1-CD2 4.12Å; Y832-E853 HydrophobicContact CE1-CB 4.09Å; Y832-Y857 HydrophobicContact CD2-CD1 4.46Å; Y832-Y857 HydrophobicContact CE2-CD1 4.21Å; Y832-Y857 HydrophobicContact CE2-CD2 4.49Å; Y832-Y857 HydrophobicContact CE2-CG 4.06Å |
| 833 | Q | 87.5 | Confident | 85.8 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.2 | -55.2 | 174.4 | -175.7 | 63.9 | 27.5 | 0 | 0 | 112.3 | C831 A835 I836 E837 | C831-Q833 PolarHBondContact O-N 3.05Å; Q833-A835 VanDerWaalsContact C-N 3.26Å; Q833-A835 PolarHBondContact O-N 3.32Å; Q833-I836 PolarHBondContact O-N 3.32Å; Q833-E837 PolarHBondContact NE2-OE1 3.37Å; Q833-E837 WeakPolarHBondContact O-CG 3.26Å; Q833-E837 PolarHBondContact O-N 2.99Å |
| 834 | K | 84.7 | Confident | 85.6 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 19% | 0.191 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.8 | -31.6 | 176.4 | -74.1 | -172.6 | 168.7 | 179.2 | 0 | 111.8 | E807 E811 Y826 C831 L838 | E807-K834 HydrophobicContact CG-CD 4.17Å; E807-K834 VanDerWaalsContact CG-NZ 3.31Å; E807-K834 WeakPolarHBondContact OE1-CE 3.12Å; E807-K834 IonicContact OE1-NZ 2.85Å; E807-K834 PolarHBondContact OE1-NZ 3.18Å; E811-K834 IonicContact OE1-NZ 3.17Å; E811-K834 PolarHBondContact OE1-NZ 2.79Å; Y826-K834 HydrophobicContact CD1-CB 3.9Å; Y826-K834 HydrophobicContact CD1-CD 4.12Å; Y826-K834 HydrophobicContact CD2-CB 4.2Å; Y826-K834 HydrophobicContact CE1-CB 4Å; Y826-K834 HydrophobicContact CE1-CD 3.59Å; Y826-K834 HydrophobicContact CE1-CG 4.41Å; Y826-K834 HydrophobicContact CE2-CB 4.27Å; Y826-K834 HydrophobicContact CG-CB 4.02Å; C831-K834 HydrophobicContact CB-CB 4.38Å; C831-K834 PolarHBondContact O-N 3.44Å; C831-K834 VanDerWaalsContact O-N 3.16Å; K834-L838 WeakPolarHBondContact O-CB 3.23Å; K834-L838 PolarHBondContact O-N 3.5Å |
| 835 | A | 85.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M823 C831 Y832 Q833 A839 | M823-A835 HydrophobicContact CE-CB 4.44Å; M823-A835 HydrophobicContact SD-CB 4.15Å; C831-A835 PolarHBondContact O-N 3.41Å; Y832-A835 PolarHBondContact O-N 3.05Å; Q833-A835 VanDerWaalsContact C-N 3.26Å; Q833-A835 PolarHBondContact O-N 3.32Å; A835-A839 WeakPolarHBondContact O-CB 3.47Å; A835-A839 PolarHBondContact O-N 2.98Å |
| 836 | I | 86.4 | Confident | 85.2 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 174.3 | -71.3 | 166.4 | 0 | 0 | 0 | 110.1 | Y832 Q833 A839 R840 L850 W854 | Y832-I836 WeakPolarHBondContact O-CB 3.3Å; Y832-I836 VanDerWaalsContact O-CG1 3.24Å; Y832-I836 WeakPolarHBondContact O-CG1 3.43Å; Y832-I836 PolarHBondContact O-N 2.99Å; Q833-I836 PolarHBondContact O-N 3.32Å; I836-A839 PolarHBondContact O-N 3.42Å; I836-R840 HydrophobicContact CG2-CG 4.42Å; I836-R840 WeakPolarHBondContact O-CB 3.39Å; I836-R840 VanDerWaalsContact O-CG 3.23Å; I836-R840 WeakPolarHBondContact O-CG 3.28Å; I836-R840 PolarHBondContact O-N 2.95Å; I836-L850 HydrophobicContact CD1-CB 4.44Å; I836-L850 HydrophobicContact CG1-CB 4.04Å; I836-L850 HydrophobicContact CG1-CD1 4.03Å; I836-W854 HydrophobicContact CD1-CE3 3.81Å; I836-W854 HydrophobicContact CD1-CZ3 3.92Å |
| 837 | E | 85 | Confident | 85.1 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.9 | -74.5 | 170.3 | -164.9 | 0 | 0 | 112 | Q833 R840 I841 | Q833-E837 PolarHBondContact NE2-OE1 3.37Å; Q833-E837 WeakPolarHBondContact O-CG 3.26Å; Q833-E837 PolarHBondContact O-N 2.99Å; E837-R840 PolarHBondContact O-N 3.1Å; E837-I841 WeakPolarHBondContact O-CG1 3.41Å; E837-I841 PolarHBondContact O-N 2.92Å |
| 838 | L | 86.3 | Confident | 85 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 172.9 | -173.9 | 62.2 | 0 | 0 | 0 | 111.1 | A822 M823 Y826 K834 R840 I841 S842 | A822-L838 HydrophobicContact CB-CD2 4.17Å; M823-L838 HydrophobicContact CB-CD2 3.63Å; M823-L838 HydrophobicContact CG-CD2 4.33Å; M823-L838 HydrophobicContact SD-CB 4.46Å; M823-L838 HydrophobicContact SD-CD2 3.92Å; M823-L838 HydrophobicContact SD-CG 4.41Å; Y826-L838 HydrophobicContact CD2-CB 4.48Å; Y826-L838 HydrophobicContact CD2-CD2 3.86Å; Y826-L838 HydrophobicContact CE2-CD2 4.06Å; K834-L838 WeakPolarHBondContact O-CB 3.23Å; K834-L838 PolarHBondContact O-N 3.5Å; L838-R840 VanDerWaalsContact C-N 3.33Å; L838-R840 PolarHBondContact O-N 3.4Å; L838-I841 PolarHBondContact O-N 2.62Å; L838-S842 PolarHBondContact O-N 3.32Å; L838-S842 PolarHBondContact O-OG 2.97Å |
| 839 | A | 86 | Confident | 85 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.6 | -34.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | M823 A835 I836 I841 F843 L850 | M823-A839 HydrophobicContact CE-CB 4.07Å; A835-A839 WeakPolarHBondContact O-CB 3.47Å; A835-A839 PolarHBondContact O-N 2.98Å; I836-A839 PolarHBondContact O-N 3.42Å; A839-I841 PolarHBondContact O-N 2.97Å; A839-F843 HydrophobicContact CB-CB 4.2Å; A839-F843 CarbonylContact O-C 3.58Å; A839-F843 VanDerWaalsContact O-CA 3.3Å; A839-F843 WeakPolarHBondContact O-CA 2.98Å; A839-F843 PolarHBondContact O-N 3.37Å; A839-L850 HydrophobicContact CB-CD1 4.07Å |
| 840 | R | 86 | Confident | 85.4 | Confident | 170 Ų | 170 | 64.4 Ų | 64.4 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.7 | -30.3 | 173 | -76.3 | 171.3 | -174.4 | -157.1 | 3.1 | 112.1 | I836 E837 L838 I847 | I836-R840 HydrophobicContact CG2-CG 4.42Å; I836-R840 WeakPolarHBondContact O-CB 3.39Å; I836-R840 VanDerWaalsContact O-CG 3.23Å; I836-R840 WeakPolarHBondContact O-CG 3.28Å; I836-R840 PolarHBondContact O-N 2.95Å; E837-R840 PolarHBondContact O-N 3.1Å; L838-R840 VanDerWaalsContact C-N 3.33Å; L838-R840 PolarHBondContact O-N 3.4Å; R840-I847 HydrophobicContact CG-CD1 4.35Å |
| 841 | I | 82.2 | Confident | 85.5 | Confident | 139 Ų | 139 | 61.3 Ų | 61.3 | 71% | 0.713 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -89 | -46.7 | -179.1 | -58.8 | 168.5 | 0 | 0 | 0 | 111.3 | E837 L838 A839 | E837-I841 WeakPolarHBondContact O-CG1 3.41Å; E837-I841 PolarHBondContact O-N 2.92Å; L838-I841 PolarHBondContact O-N 2.62Å; A839-I841 PolarHBondContact O-N 2.97Å |
| 842 | S | 78.9 | Confident | 85.8 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -117.8 | -20.1 | -170.4 | 55 | 0 | 0 | 0 | 0 | 115.8 | L838 | L838-S842 PolarHBondContact O-N 3.32Å; L838-S842 PolarHBondContact O-OG 2.97Å |
| 843 | F | 84.1 | Confident | 85.8 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 26% | 0.263 | 33% | 0.326 | S | S | . | . | trans | -139.9 | 62.2 | -174.8 | -50.2 | -72.2 | 0 | 0 | 0 | 116.1 | M823 A839 S845 N846 | M823-F843 HydrophobicContact CB-CE2 3.95Å; M823-F843 HydrophobicContact CE-CD2 4.14Å; M823-F843 HydrophobicContact CG-CD2 4.15Å; M823-F843 HydrophobicContact CG-CE2 3.96Å; M823-F843 HydrophobicContact SD-CD2 4.4Å; A839-F843 HydrophobicContact CB-CB 4.2Å; A839-F843 CarbonylContact O-C 3.58Å; A839-F843 VanDerWaalsContact O-CA 3.3Å; A839-F843 WeakPolarHBondContact O-CA 2.98Å; A839-F843 PolarHBondContact O-N 3.37Å; F843-S845 VanDerWaalsContact C-N 3.28Å; F843-S845 PolarHBondContact O-N 3.04Å; F843-S845 VanDerWaalsContact O-N 3.14Å; F843-N846 PolarHBondContact O-N 2.95Å | ||
| 844 | P | 83.4 | Confident | 85.9 | Confident | 85 Ų | 85 | 62.5 Ų | 62.5 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -64.1 | -23 | -171.6 | -24.1 | 34.7 | 0 | 0 | 0 | 115.9 | N846 I847 | P844-N846 PolarHBondContact O-N 3.43Å; P844-I847 WeakPolarHBondContact O-CD1 3.45Å; P844-I847 WeakPolarHBondContact O-CG1 3.4Å |
| 845 | S | 83.4 | Confident | 86.1 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 73% | 0.734 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -66 | -21.9 | -179.4 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | F843 | F843-S845 VanDerWaalsContact C-N 3.28Å; F843-S845 PolarHBondContact O-N 3.04Å; F843-S845 VanDerWaalsContact O-N 3.14Å |
| 846 | N | 84.4 | Confident | 86.3 | Confident | 55 Ų | 55 | 63.5 Ų | 63.5 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -91.2 | -0.6 | -170 | -62.8 | -8.4 | 0 | 0 | 0 | 113.1 | F843 P844 Q849 L850 | F843-N846 PolarHBondContact O-N 2.95Å; P844-N846 PolarHBondContact O-N 3.43Å; N846-Q849 PolarHBondContact O-N 2.97Å; N846-L850 HydrophobicContact CB-CD1 4.36Å; N846-L850 VanDerWaalsContact O-CG 3.27Å; N846-L850 WeakPolarHBondContact O-CG 3.17Å; N846-L850 PolarHBondContact O-N 2.94Å |
| 847 | I | 87 | Confident | 86.4 | Confident | 51 Ų | 51 | 66.9 Ų | 66.9 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.1 | -49.4 | -171.2 | -63.6 | 170.5 | 0 | 0 | 0 | 112.5 | R840 P844 Q849 L850 E851 | R840-I847 HydrophobicContact CG-CD1 4.35Å; P844-I847 WeakPolarHBondContact O-CD1 3.45Å; P844-I847 WeakPolarHBondContact O-CG1 3.4Å; I847-Q849 VanDerWaalsContact C-N 3.26Å; I847-Q849 PolarHBondContact O-N 3.5Å; I847-L850 PolarHBondContact O-N 2.98Å; I847-L850 VanDerWaalsContact O-N 3.1Å; I847-E851 HydrophobicContact CG2-CG 4.38Å; I847-E851 WeakPolarHBondContact O-CG 3.49Å; I847-E851 PolarHBondContact O-N 3.15Å |
| 848 | L | 86.8 | Confident | 86.6 | Confident | 124 Ų | 124 | 63 Ų | 63 | 65% | 0.649 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.7 | -37.5 | -179.2 | -70.2 | 170.1 | 0 | 0 | 0 | 112.2 | E851 E852 | L848-E851 PolarHBondContact O-N 2.89Å; L848-E852 PolarHBondContact O-N 3.4Å; L848-E852 VanDerWaalsContact O-N 3.1Å |
| 849 | Q | 86.9 | Confident | 86.7 | Confident | 110 Ų | 110 | 65.1 Ų | 65.1 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 176.3 | -174.6 | 178.2 | -6.8 | 0 | 0 | 111.3 | N846 I847 E851 E852 E853 | N846-Q849 PolarHBondContact O-N 2.97Å; I847-Q849 VanDerWaalsContact C-N 3.26Å; I847-Q849 PolarHBondContact O-N 3.5Å; Q849-E851 VanDerWaalsContact C-N 3.34Å; Q849-E852 PolarHBondContact O-N 3.33Å; Q849-E853 WeakPolarHBondContact CG-OE1 3.44Å; Q849-E853 PolarHBondContact NE2-OE1 3.29Å; Q849-E853 WeakPolarHBondContact O-CB 3.29Å; Q849-E853 VanDerWaalsContact O-CG 3.29Å; Q849-E853 WeakPolarHBondContact O-CG 3.34Å; Q849-E853 PolarHBondContact O-N 3.29Å |
| 850 | L | 88.8 | Confident | 86.7 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65 | -35.5 | 175.2 | -70.8 | 168.3 | 0 | 0 | 0 | 112.1 | M823 Y832 I836 A839 N846 I847 W854 | M823-L850 HydrophobicContact CE-CD1 4.35Å; Y832-L850 HydrophobicContact CD1-CD2 4.12Å; I836-L850 HydrophobicContact CD1-CB 4.44Å; I836-L850 HydrophobicContact CG1-CB 4.04Å; I836-L850 HydrophobicContact CG1-CD1 4.03Å; A839-L850 HydrophobicContact CB-CD1 4.07Å; N846-L850 HydrophobicContact CB-CD1 4.36Å; N846-L850 VanDerWaalsContact O-CG 3.27Å; N846-L850 WeakPolarHBondContact O-CG 3.17Å; N846-L850 PolarHBondContact O-N 2.94Å; I847-L850 PolarHBondContact O-N 2.98Å; I847-L850 VanDerWaalsContact O-N 3.1Å; L850-W854 WeakPolarHBondContact O-CB 3.31Å; L850-W854 PolarHBondContact O-N 3.38Å |
| 851 | E | 88.5 | Confident | 86.7 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.4 | -40.5 | 176 | -72.1 | -64.5 | 162 | 0 | 0 | 112.6 | I847 L848 Q849 W854 G855 H870 | I847-E851 HydrophobicContact CG2-CG 4.38Å; I847-E851 WeakPolarHBondContact O-CG 3.49Å; I847-E851 PolarHBondContact O-N 3.15Å; L848-E851 PolarHBondContact O-N 2.89Å; Q849-E851 VanDerWaalsContact C-N 3.34Å; E851-W854 PolarHBondContact O-N 3.11Å; E851-G855 PolarHBondContact O-N 3.33Å; E851-H870 IonicContact OE2-CE1 3.04Å; E851-H870 IonicContact OE2-CG 3.65Å; E851-H870 IonicContact OE2-ND1 2.77Å; E851-H870 PolarHBondContact OE2-ND1 3.48Å |
| 852 | E | 90.7 | Very high | 86.7 | Confident | 82 Ų | 82 | 69.2 Ų | 69.2 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67 | -44.9 | 172.3 | -175.2 | 171.5 | -163.7 | 0 | 0 | 111.5 | L848 Q849 W854 G855 D856 A874 K879 | L848-E852 PolarHBondContact O-N 3.4Å; L848-E852 VanDerWaalsContact O-N 3.1Å; Q849-E852 PolarHBondContact O-N 3.33Å; E852-W854 PolarHBondContact O-N 3.35Å; E852-G855 PolarHBondContact O-N 3.44Å; E852-D856 PolarHBondContact O-N 3.4Å; E852-A874 HydrophobicContact CB-CB 4.27Å; E852-K879 IonicContact OE1-NZ 2.76Å; E852-K879 PolarHBondContact OE1-NZ 3.33Å |
| 853 | E | 89 | Confident | 86.9 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 25% | 0.248 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.7 | -35.5 | 174.5 | -75.3 | 176.9 | -164.3 | 0 | 0 | 111.2 | R827 Y832 Q849 Y857 | R827-E853 IonicContact NH2-OE1 3.04Å; R827-E853 IonicContact NH2-OE2 4Å; Y832-E853 HydrophobicContact CE1-CB 4.09Å; Q849-E853 WeakPolarHBondContact CG-OE1 3.44Å; Q849-E853 PolarHBondContact NE2-OE1 3.29Å; Q849-E853 WeakPolarHBondContact O-CB 3.29Å; Q849-E853 VanDerWaalsContact O-CG 3.29Å; Q849-E853 WeakPolarHBondContact O-CG 3.34Å; Q849-E853 PolarHBondContact O-N 3.29Å; E853-Y857 VanDerWaalsContact O-CB 3.28Å; E853-Y857 WeakPolarHBondContact O-CB 3.47Å; E853-Y857 PolarHBondContact O-N 2.83Å |
| 854 | W | 90.5 | Very high | 86.9 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 22% | 0.22 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.2 | -45.9 | 175.5 | -170.8 | 7.3 | 0 | 0 | 0 | 112.1 | I836 L850 E851 E852 D856 Y857 L858 H870 | I836-W854 HydrophobicContact CD1-CE3 3.81Å; I836-W854 HydrophobicContact CD1-CZ3 3.92Å; L850-W854 WeakPolarHBondContact O-CB 3.31Å; L850-W854 PolarHBondContact O-N 3.38Å; E851-W854 PolarHBondContact O-N 3.11Å; E852-W854 PolarHBondContact O-N 3.35Å; W854-D856 VanDerWaalsContact C-N 3.33Å; W854-D856 PolarHBondContact O-N 3.27Å; W854-Y857 PolarHBondContact O-N 2.84Å; W854-L858 HydrophobicContact CG-CD1 4.47Å; W854-L858 WeakPolarHBondContact O-CG 3.45Å; W854-L858 PolarHBondContact O-N 2.68Å; W854-H870 AromaticContact CD2-CE1 3.45Å; W854-H870 VanDerWaalsContact CD2-CE1 3.45Å; W854-H870 AromaticContact CD2-ND1 3.86Å; W854-H870 AromaticContact CD2-NE2 3.89Å; W854-H870 AromaticContact CE2-CE1 3.69Å; W854-H870 AromaticContact CE2-NE2 3.76Å; W854-H870 AromaticContact CE3-CE1 3.25Å; W854-H870 AromaticContact CE3-ND1 3.59Å; W854-H870 AromaticContact CH2-CE1 3.64Å; W854-H870 AromaticContact CZ2-CE1 3.8Å; W854-H870 AromaticContact CZ2-NE2 3.92Å; W854-H870 AromaticContact CZ3-CE1 3.36Å; W854-H870 WeakPolarHBondContact CZ3-CE1 3.11Å |
| 855 | G | 89.2 | Confident | 87 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57 | -45.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E851 E852 L858 V859 | E851-G855 PolarHBondContact O-N 3.33Å; E852-G855 PolarHBondContact O-N 3.44Å; G855-L858 PolarHBondContact O-N 2.89Å; G855-V859 WeakPolarHBondContact O-CG2 3.33Å; G855-V859 PolarHBondContact O-N 2.68Å |
| 856 | D | 89.9 | Confident | 87.1 | Confident | 66 Ų | 66 | 70 Ų | 70 | 35% | 0.353 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 176.2 | -73.5 | -16.6 | 0 | 0 | 0 | 111.4 | E852 W854 L858 V859 T860 F871 K879 | E852-D856 PolarHBondContact O-N 3.4Å; W854-D856 VanDerWaalsContact C-N 3.33Å; W854-D856 PolarHBondContact O-N 3.27Å; D856-L858 VanDerWaalsContact C-N 3.33Å; D856-L858 PolarHBondContact O-N 3.06Å; D856-V859 PolarHBondContact O-N 3.31Å; D856-T860 WeakPolarHBondContact O-CG2 3.42Å; D856-T860 PolarHBondContact O-N 2.83Å; D856-F871 WeakPolarHBondContact OD1-CE1 3.39Å; D856-K879 IonicContact OD1-NZ 3.64Å; D856-K879 PolarHBondContact OD1-NZ 2.75Å; D856-K879 IonicContact OD2-NZ 3.75Å |
| 857 | Y | 88.6 | Confident | 87.3 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 29% | 0.29 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 173.3 | 178.5 | -108.5 | 0 | 0 | 0 | 112.1 | Y832 E853 W854 V859 T860 K861 | Y832-Y857 HydrophobicContact CD2-CD1 4.46Å; Y832-Y857 HydrophobicContact CE2-CD1 4.21Å; Y832-Y857 HydrophobicContact CE2-CD2 4.49Å; Y832-Y857 HydrophobicContact CE2-CG 4.06Å; E853-Y857 VanDerWaalsContact O-CB 3.28Å; E853-Y857 WeakPolarHBondContact O-CB 3.47Å; E853-Y857 PolarHBondContact O-N 2.83Å; W854-Y857 PolarHBondContact O-N 2.84Å; Y857-V859 PolarHBondContact O-N 3.22Å; Y857-T860 PolarHBondContact O-N 3.42Å; Y857-T860 PolarHBondContact O-OG1 2.81Å; Y857-K861 HydrophobicContact CE1-CG 4.22Å; Y857-K861 HydrophobicContact CE2-CG 4.42Å; Y857-K861 VanDerWaalsContact CZ-CE 3.49Å; Y857-K861 PolarHBondContact O-N 2.8Å; Y857-K861 WeakPolarHBondContact OH-CE 3.44Å |
| 858 | L | 88.4 | Confident | 87.3 | Confident | 12 Ų | 12 | 65.1 Ų | 65.1 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 176.4 | -71.1 | 169 | 0 | 0 | 0 | 112.3 | W854 G855 D856 T860 K861 Q862 Q863 N866 A867 H870 | W854-L858 HydrophobicContact CG-CD1 4.47Å; W854-L858 WeakPolarHBondContact O-CG 3.45Å; W854-L858 PolarHBondContact O-N 2.68Å; G855-L858 PolarHBondContact O-N 2.89Å; D856-L858 VanDerWaalsContact C-N 3.33Å; D856-L858 PolarHBondContact O-N 3.06Å; L858-T860 VanDerWaalsContact C-N 3.34Å; L858-K861 CarbonylContact O-C 3.56Å; L858-K861 PolarHBondContact O-N 2.95Å; L858-K861 VanDerWaalsContact O-N 3.16Å; L858-Q862 PolarHBondContact O-N 2.76Å; L858-Q863 HydrophobicContact CB-CB 4.45Å; L858-Q863 HydrophobicContact CD2-CB 4.29Å; L858-Q863 VanDerWaalsContact CD2-OE1 3.25Å; L858-Q863 PolarHBondContact O-N 2.87Å; L858-N866 HydrophobicContact CD1-CB 3.99Å; L858-N866 HydrophobicContact CD2-CB 4.48Å; L858-A867 HydrophobicContact CB-CB 4.17Å; L858-H870 WeakPolarHBondContact CD1-CD2 3.3Å |
| 859 | V | 87.4 | Confident | 87.4 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 34% | 0.339 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 171.2 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | G855 D856 Y857 K861 Q862 A867 F871 | G855-V859 WeakPolarHBondContact O-CG2 3.33Å; G855-V859 PolarHBondContact O-N 2.68Å; D856-V859 PolarHBondContact O-N 3.31Å; Y857-V859 PolarHBondContact O-N 3.22Å; V859-K861 PolarHBondContact O-N 2.81Å; V859-Q862 PolarHBondContact O-N 2.89Å; V859-A867 HydrophobicContact CG2-CB 3.68Å; V859-F871 HydrophobicContact CG2-CE2 3.64Å; V859-F871 HydrophobicContact CG2-CZ 3.69Å |
| 860 | T | 87 | Confident | 87.5 | Confident | 106 Ų | 106 | 59.5 Ų | 59.5 | 65% | 0.65 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.8 | -27.3 | 175.1 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | D856 Y857 L858 Q862 | D856-T860 WeakPolarHBondContact O-CG2 3.42Å; D856-T860 PolarHBondContact O-N 2.83Å; Y857-T860 PolarHBondContact O-N 3.42Å; Y857-T860 PolarHBondContact O-OG1 2.81Å; L858-T860 VanDerWaalsContact C-N 3.34Å; T860-Q862 VanDerWaalsContact C-N 3.3Å |
| 861 | K | 85.4 | Confident | 87.7 | Confident | 118 Ų | 118 | 59.6 Ų | 59.6 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 6.8 | 172.7 | -68.1 | -68 | -174.8 | -179.5 | 0 | 114.1 | Y857 L858 V859 Q863 | Y857-K861 HydrophobicContact CE1-CG 4.22Å; Y857-K861 HydrophobicContact CE2-CG 4.42Å; Y857-K861 VanDerWaalsContact CZ-CE 3.49Å; Y857-K861 PolarHBondContact O-N 2.8Å; Y857-K861 WeakPolarHBondContact OH-CE 3.44Å; L858-K861 CarbonylContact O-C 3.56Å; L858-K861 PolarHBondContact O-N 2.95Å; L858-K861 VanDerWaalsContact O-N 3.16Å; V859-K861 PolarHBondContact O-N 2.81Å; K861-Q863 HydrophobicContact CB-CG 4.4Å; K861-Q863 PolarHBondContact O-N 3.13Å |
| 862 | Q | 81.6 | Confident | 87.7 | Confident | 171 Ų | 171 | 62.2 Ų | 62.2 | 80% | 0.799 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 18.9 | -175.6 | -60.1 | -176.3 | -16.9 | 0 | 0 | 114.9 | L858 V859 T860 M864 | L858-Q862 PolarHBondContact O-N 2.76Å; V859-Q862 PolarHBondContact O-N 2.89Å; T860-Q862 VanDerWaalsContact C-N 3.3Å; Q862-M864 VanDerWaalsContact C-N 3.32Å; Q862-M864 PolarHBondContact O-N 3.21Å |
| 863 | Q | 83.3 | Confident | 87.4 | Confident | 93 Ų | 93 | 64.4 Ų | 64.4 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | trans | -91.6 | 64.5 | 176.9 | -64.3 | -173.5 | -7.2 | 0 | 0 | 110.5 | L858 K861 D865 N866 A867 | L858-Q863 HydrophobicContact CB-CB 4.45Å; L858-Q863 HydrophobicContact CD2-CB 4.29Å; L858-Q863 VanDerWaalsContact CD2-OE1 3.25Å; L858-Q863 PolarHBondContact O-N 2.87Å; K861-Q863 HydrophobicContact CB-CG 4.4Å; K861-Q863 PolarHBondContact O-N 3.13Å; Q863-D865 VanDerWaalsContact C-N 3.26Å; Q863-D865 PolarHBondContact O-N 2.84Å; Q863-N866 HydrophobicContact CB-CB 4.45Å; Q863-N866 PolarHBondContact O-N 3.1Å; Q863-N866 PolarHBondContact OE1-ND2 2.82Å; Q863-A867 PolarHBondContact O-N 3.39Å | ||
| 864 | M | 84.5 | Confident | 87.2 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 30% | 0.3 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.4 | -32.7 | -175.6 | -61.2 | -143.3 | -165.6 | 0 | 0 | 112.9 | Q862 A867 I868 N886 | Q862-M864 VanDerWaalsContact C-N 3.32Å; Q862-M864 PolarHBondContact O-N 3.21Å; M864-A867 PolarHBondContact O-N 3.41Å; M864-I868 WeakPolarHBondContact O-CG1 3.5Å; M864-I868 PolarHBondContact O-N 3.43Å; M864-N886 HydrophobicContact CE-CB 4.34Å; M864-N886 HydrophobicContact SD-CB 3.64Å |
| 865 | D | 85.4 | Confident | 86.9 | Confident | 78 Ų | 78 | 62.6 Ų | 62.6 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 179.2 | -68 | -37.2 | 0 | 0 | 0 | 113.1 | Q863 S887 Q889 | Q863-D865 VanDerWaalsContact C-N 3.26Å; Q863-D865 PolarHBondContact O-N 2.84Å; D865-S887 WeakPolarHBondContact OD1-CB 3.31Å; D865-S887 PolarHBondContact OD1-OG 3.04Å; D865-Q889 PolarHBondContact OD1-NE2 3.25Å |
| 866 | N | 85.6 | Confident | 86.7 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.8 | -36.3 | 178 | -67.2 | -16.2 | 0 | 0 | 0 | 110.6 | L858 Q863 I868 N869 H870 | L858-N866 HydrophobicContact CD1-CB 3.99Å; L858-N866 HydrophobicContact CD2-CB 4.48Å; Q863-N866 HydrophobicContact CB-CB 4.45Å; Q863-N866 PolarHBondContact O-N 3.1Å; Q863-N866 PolarHBondContact OE1-ND2 2.82Å; N866-I868 PolarHBondContact O-N 3.39Å; N866-N869 PolarHBondContact O-N 2.87Å; N866-H870 PolarHBondContact O-CD2 3.21Å; N866-H870 VanDerWaalsContact O-CD2 3.3Å |
| 867 | A | 88.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -28.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L858 V859 Q863 M864 N869 H870 F871 | L858-A867 HydrophobicContact CB-CB 4.17Å; V859-A867 HydrophobicContact CG2-CB 3.68Å; Q863-A867 PolarHBondContact O-N 3.39Å; M864-A867 PolarHBondContact O-N 3.41Å; A867-N869 VanDerWaalsContact C-N 3.27Å; A867-N869 PolarHBondContact O-N 2.87Å; A867-H870 PolarHBondContact O-N 3.04Å; A867-F871 HydrophobicContact CB-CD2 4.11Å; A867-F871 HydrophobicContact CB-CE2 3.75Å; A867-F871 HydrophobicContact CB-CZ 4.45Å; A867-F871 WeakPolarHBondContact O-CB 3.2Å; A867-F871 WeakPolarHBondContact O-CD2 3.4Å; A867-F871 WeakPolarHBondContact O-CG 3.36Å; A867-F871 PolarHBondContact O-N 3.17Å |
| 868 | I | 87.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54 | -45.2 | 177.6 | -66.7 | 164.3 | 0 | 0 | 0 | 110.9 | M864 N866 I872 A883 A884 | M864-I868 WeakPolarHBondContact O-CG1 3.5Å; M864-I868 PolarHBondContact O-N 3.43Å; N866-I868 PolarHBondContact O-N 3.39Å; I868-I872 HydrophobicContact CG2-CD1 3.74Å; I868-I872 WeakPolarHBondContact O-CD1 3.26Å; I868-I872 WeakPolarHBondContact O-CG1 3.5Å; I868-I872 PolarHBondContact O-N 2.93Å; I868-A883 HydrophobicContact CG1-CB 3.72Å; I868-A884 HydrophobicContact CD1-CB 4.32Å |
| 869 | N | 89.1 | Confident | 86.6 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 48% | 0.481 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.6 | -46.6 | -177.4 | -67.3 | -20.9 | 0 | 0 | 0 | 111.6 | N866 A867 F871 I872 E873 | N866-N869 PolarHBondContact O-N 2.87Å; A867-N869 VanDerWaalsContact C-N 3.27Å; A867-N869 PolarHBondContact O-N 2.87Å; N869-F871 VanDerWaalsContact C-N 3.31Å; N869-F871 PolarHBondContact O-N 2.8Å; N869-I872 WeakPolarHBondContact O-CB 3.32Å; N869-I872 PolarHBondContact O-N 3.17Å; N869-I872 VanDerWaalsContact O-N 3.08Å; N869-E873 PolarHBondContact O-N 2.95Å |
| 870 | H | 89.3 | Confident | 86.6 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 12% | 0.12 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.6 | -36.7 | 177.5 | -64.3 | -71.4 | 0 | 0 | 0 | 112 | E851 W854 L858 N866 A867 E873 A874 | E851-H870 IonicContact OE2-CE1 3.04Å; E851-H870 IonicContact OE2-CG 3.65Å; E851-H870 IonicContact OE2-ND1 2.77Å; E851-H870 PolarHBondContact OE2-ND1 3.48Å; W854-H870 AromaticContact CD2-CE1 3.45Å; W854-H870 VanDerWaalsContact CD2-CE1 3.45Å; W854-H870 AromaticContact CD2-ND1 3.86Å; W854-H870 AromaticContact CD2-NE2 3.89Å; W854-H870 AromaticContact CE2-CE1 3.69Å; W854-H870 AromaticContact CE2-NE2 3.76Å; W854-H870 AromaticContact CE3-CE1 3.25Å; W854-H870 AromaticContact CE3-ND1 3.59Å; W854-H870 AromaticContact CH2-CE1 3.64Å; W854-H870 AromaticContact CZ2-CE1 3.8Å; W854-H870 AromaticContact CZ2-NE2 3.92Å; W854-H870 AromaticContact CZ3-CE1 3.36Å; W854-H870 WeakPolarHBondContact CZ3-CE1 3.11Å; L858-H870 WeakPolarHBondContact CD1-CD2 3.3Å; N866-H870 PolarHBondContact O-CD2 3.21Å; N866-H870 VanDerWaalsContact O-CD2 3.3Å; A867-H870 PolarHBondContact O-N 3.04Å; H870-E873 PolarHBondContact O-N 2.91Å; H870-A874 VanDerWaalsContact O-CB 3.27Å; H870-A874 WeakPolarHBondContact O-CB 3.28Å; H870-A874 PolarHBondContact O-N 2.88Å |
| 871 | F | 91.9 | Very high | 86.6 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.1 | -32.7 | 173 | -69.4 | -40.7 | 0 | 0 | 0 | 113.4 | D856 V859 A867 N869 G875 A876 K879 A880 | D856-F871 WeakPolarHBondContact OD1-CE1 3.39Å; V859-F871 HydrophobicContact CG2-CE2 3.64Å; V859-F871 HydrophobicContact CG2-CZ 3.69Å; A867-F871 HydrophobicContact CB-CD2 4.11Å; A867-F871 HydrophobicContact CB-CE2 3.75Å; A867-F871 HydrophobicContact CB-CZ 4.45Å; A867-F871 WeakPolarHBondContact O-CB 3.2Å; A867-F871 WeakPolarHBondContact O-CD2 3.4Å; A867-F871 WeakPolarHBondContact O-CG 3.36Å; A867-F871 PolarHBondContact O-N 3.17Å; N869-F871 VanDerWaalsContact C-N 3.31Å; N869-F871 PolarHBondContact O-N 2.8Å; F871-G875 PolarHBondContact O-N 3.17Å; F871-G875 VanDerWaalsContact O-N 3.11Å; F871-A876 HydrophobicContact CB-CB 4.35Å; F871-A876 HydrophobicContact CD1-CB 4.43Å; F871-A876 PolarHBondContact O-N 2.94Å; F871-K879 HydrophobicContact CB-CB 4.48Å; F871-K879 HydrophobicContact CD1-CB 4.2Å; F871-K879 HydrophobicContact CD1-CD 3.86Å; F871-K879 HydrophobicContact CD2-CB 3.88Å; F871-K879 HydrophobicContact CE1-CB 4.43Å; F871-K879 HydrophobicContact CE1-CD 3.63Å; F871-K879 HydrophobicContact CE2-CB 4.11Å; F871-K879 HydrophobicContact CG-CB 3.94Å; F871-K879 HydrophobicContact CG-CD 4.47Å; F871-K879 HydrophobicContact CZ-CB 4.39Å; F871-K879 HydrophobicContact CZ-CD 4.01Å; F871-A880 HydrophobicContact CB-CB 4.38Å |
| 872 | I | 88.3 | Confident | 86.7 | Confident | 72 Ų | 72 | 59.6 Ų | 59.6 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 173.4 | -70.5 | 164.8 | 0 | 0 | 0 | 110 | I868 N869 A874 G875 A880 | I868-I872 HydrophobicContact CG2-CD1 3.74Å; I868-I872 WeakPolarHBondContact O-CD1 3.26Å; I868-I872 WeakPolarHBondContact O-CG1 3.5Å; I868-I872 PolarHBondContact O-N 2.93Å; N869-I872 WeakPolarHBondContact O-CB 3.32Å; N869-I872 PolarHBondContact O-N 3.17Å; N869-I872 VanDerWaalsContact O-N 3.08Å; I872-A874 VanDerWaalsContact C-N 3.33Å; I872-A874 PolarHBondContact O-N 2.96Å; I872-G875 PolarHBondContact O-N 3.01Å; I872-G875 VanDerWaalsContact O-N 3.08Å; I872-A880 HydrophobicContact CG1-CB 4.19Å |
| 873 | E | 84.6 | Confident | 87 | Confident | 127 Ų | 127 | 51.7 Ų | 51.7 | 59% | 0.593 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.8 | -34.2 | 177.4 | -69.8 | -174.3 | -172.4 | 0 | 0 | 112.5 | N869 H870 G875 | N869-E873 PolarHBondContact O-N 2.95Å; H870-E873 PolarHBondContact O-N 2.91Å; E873-G875 VanDerWaalsContact C-N 3.3Å; E873-G875 PolarHBondContact O-N 3.46Å |
| 874 | A | 85.2 | Confident | 87.3 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E852 H870 I872 | E852-A874 HydrophobicContact CB-CB 4.27Å; H870-A874 VanDerWaalsContact O-CB 3.27Å; H870-A874 WeakPolarHBondContact O-CB 3.28Å; H870-A874 PolarHBondContact O-N 2.88Å; I872-A874 VanDerWaalsContact C-N 3.33Å; I872-A874 PolarHBondContact O-N 2.96Å |
| 875 | G | 83.3 | Confident | 87.5 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 43% | 0.433 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 15.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | F871 I872 E873 Y877 | F871-G875 PolarHBondContact O-N 3.17Å; F871-G875 VanDerWaalsContact O-N 3.11Å; I872-G875 PolarHBondContact O-N 3.01Å; I872-G875 VanDerWaalsContact O-N 3.08Å; E873-G875 VanDerWaalsContact C-N 3.3Å; E873-G875 PolarHBondContact O-N 3.46Å; G875-Y877 PolarHBondContact O-N 2.8Å |
| 876 | A | 86.1 | Confident | 87.4 | Confident | 24 Ų | 24 | 46.7 Ų | 46.7 | 20% | 0.198 | 25% | 0.25 | C | C | . | . | trans | -96.1 | 67.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F871 I878 K879 A880 | F871-A876 HydrophobicContact CB-CB 4.35Å; F871-A876 HydrophobicContact CD1-CB 4.43Å; F871-A876 PolarHBondContact O-N 2.94Å; A876-I878 PolarHBondContact O-N 2.82Å; A876-K879 HydrophobicContact CB-CB 4.29Å; A876-K879 HydrophobicContact CB-CD 4.14Å; A876-K879 HydrophobicContact CB-CG 4.36Å; A876-K879 PolarHBondContact O-N 3.26Å; A876-A880 PolarHBondContact O-N 2.74Å; A876-A880 VanDerWaalsContact O-N 3.15Å | ||
| 877 | Y | 87.9 | Confident | 87.4 | Confident | 117 Ų | 117 | 44 Ų | 44 | 46% | 0.459 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -27.6 | -172.6 | -60.3 | -78.9 | 0 | 0 | 0 | 117.1 | G875 A880 T881 | G875-Y877 PolarHBondContact O-N 2.8Å; Y877-A880 PolarHBondContact O-N 3.23Å; Y877-T881 PolarHBondContact O-N 3.04Å; Y877-T881 PolarHBondContact O-OG1 3.44Å |
| 878 | I | 86.9 | Confident | 87.2 | Confident | 87 Ų | 87 | 48.2 Ų | 48.2 | 45% | 0.446 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.6 | -48.6 | 175.8 | -56.1 | 176.3 | 0 | 0 | 0 | 109.6 | A876 A880 T881 D882 | A876-I878 PolarHBondContact O-N 2.82Å; I878-A880 PolarHBondContact O-N 2.84Å; I878-T881 PolarHBondContact O-N 3.32Å; I878-D882 PolarHBondContact O-N 3.31Å |
| 879 | K | 88.7 | Confident | 87.1 | Confident | 76 Ų | 76 | 50.1 Ų | 50.1 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55.9 | -38.5 | 174.8 | -66.8 | -173.3 | 177.8 | -179.1 | 0 | 110.2 | E852 D856 F871 A876 A883 | E852-K879 IonicContact OE1-NZ 2.76Å; E852-K879 PolarHBondContact OE1-NZ 3.33Å; D856-K879 IonicContact OD1-NZ 3.64Å; D856-K879 PolarHBondContact OD1-NZ 2.75Å; D856-K879 IonicContact OD2-NZ 3.75Å; F871-K879 HydrophobicContact CB-CB 4.48Å; F871-K879 HydrophobicContact CD1-CB 4.2Å; F871-K879 HydrophobicContact CD1-CD 3.86Å; F871-K879 HydrophobicContact CD2-CB 3.88Å; F871-K879 HydrophobicContact CE1-CB 4.43Å; F871-K879 HydrophobicContact CE1-CD 3.63Å; F871-K879 HydrophobicContact CE2-CB 4.11Å; F871-K879 HydrophobicContact CG-CB 3.94Å; F871-K879 HydrophobicContact CG-CD 4.47Å; F871-K879 HydrophobicContact CZ-CB 4.39Å; F871-K879 HydrophobicContact CZ-CD 4.01Å; A876-K879 HydrophobicContact CB-CB 4.29Å; A876-K879 HydrophobicContact CB-CD 4.14Å; A876-K879 HydrophobicContact CB-CG 4.36Å; A876-K879 PolarHBondContact O-N 3.26Å; K879-A883 VanDerWaalsContact O-CB 3.22Å; K879-A883 WeakPolarHBondContact O-CB 3.41Å; K879-A883 PolarHBondContact O-N 2.96Å |
| 880 | A | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | F871 I872 A876 Y877 I878 A884 I896 | F871-A880 HydrophobicContact CB-CB 4.38Å; I872-A880 HydrophobicContact CG1-CB 4.19Å; A876-A880 PolarHBondContact O-N 2.74Å; A876-A880 VanDerWaalsContact O-N 3.15Å; Y877-A880 PolarHBondContact O-N 3.23Å; I878-A880 PolarHBondContact O-N 2.84Å; A880-A884 VanDerWaalsContact O-CB 3.28Å; A880-A884 WeakPolarHBondContact O-CB 3.25Å; A880-A884 PolarHBondContact O-N 3.39Å; A880-I896 HydrophobicContact CB-CD1 4.36Å |
| 881 | T | 87.3 | Confident | 86.8 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 177.4 | -45.7 | 0 | 0 | 0 | 0 | 110.9 | Y877 I878 A884 I885 I896 L897 | Y877-T881 PolarHBondContact O-N 3.04Å; Y877-T881 PolarHBondContact O-OG1 3.44Å; I878-T881 PolarHBondContact O-N 3.32Å; T881-A884 PolarHBondContact O-N 3.07Å; T881-I885 HydrophobicContact CG2-CD1 4.22Å; T881-I885 WeakPolarHBondContact O-CG1 3.4Å; T881-I885 PolarHBondContact O-N 2.8Å; T881-I896 WeakPolarHBondContact OG1-CG2 3.45Å; T881-L897 HydrophobicContact CG2-CD2 4.07Å; T881-L897 HydrophobicContact CG2-CG 4.07Å |
| 882 | D | 87.1 | Confident | 86.4 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 176.9 | -72.8 | -24 | 0 | 0 | 0 | 111 | I878 A884 I885 N886 Y912 | I878-D882 PolarHBondContact O-N 3.31Å; D882-A884 VanDerWaalsContact C-N 3.33Å; D882-A884 PolarHBondContact O-N 2.84Å; D882-I885 PolarHBondContact O-N 2.97Å; D882-N886 VanDerWaalsContact O-CB 3.29Å; D882-N886 WeakPolarHBondContact O-CB 3.4Å; D882-N886 PolarHBondContact O-N 2.97Å; D882-N886 PolarHBondContact O-ND2 3.28Å; D882-Y912 PolarHBondContact OD1-OH 3.14Å |
| 883 | A | 88.5 | Confident | 86.2 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 5% | 0.05 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I868 K879 N886 S887 | I868-A883 HydrophobicContact CG1-CB 3.72Å; K879-A883 VanDerWaalsContact O-CB 3.22Å; K879-A883 WeakPolarHBondContact O-CB 3.41Å; K879-A883 PolarHBondContact O-N 2.96Å; A883-N886 PolarHBondContact O-N 2.86Å; A883-S887 WeakPolarHBondContact O-CB 3.1Å; A883-S887 PolarHBondContact O-N 2.97Å; A883-S887 PolarHBondContact O-OG 3.27Å |
| 884 | A | 89.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I868 A880 T881 D882 C888 Q889 K892 A893 I896 | I868-A884 HydrophobicContact CD1-CB 4.32Å; A880-A884 VanDerWaalsContact O-CB 3.28Å; A880-A884 WeakPolarHBondContact O-CB 3.25Å; A880-A884 PolarHBondContact O-N 3.39Å; T881-A884 PolarHBondContact O-N 3.07Å; D882-A884 VanDerWaalsContact C-N 3.33Å; D882-A884 PolarHBondContact O-N 2.84Å; A884-C888 PolarHBondContact O-N 3.2Å; A884-Q889 HydrophobicContact CB-CB 4.47Å; A884-Q889 WeakPolarHBondContact O-CA 3.32Å; A884-Q889 PolarHBondContact O-N 2.89Å; A884-K892 HydrophobicContact CB-CB 4.49Å; A884-A893 HydrophobicContact CB-CB 4.23Å; A884-I896 HydrophobicContact CB-CD1 4.16Å |
| 885 | I | 87.6 | Confident | 86.2 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.3 | -42.6 | 175.1 | -68.2 | 171.9 | 0 | 0 | 0 | 110.3 | T881 D882 S887 C888 W890 A893 Y912 | T881-I885 HydrophobicContact CG2-CD1 4.22Å; T881-I885 WeakPolarHBondContact O-CG1 3.4Å; T881-I885 PolarHBondContact O-N 2.8Å; D882-I885 PolarHBondContact O-N 2.97Å; I885-S887 VanDerWaalsContact C-N 3.28Å; I885-S887 PolarHBondContact O-N 3.4Å; I885-C888 PolarHBondContact O-N 3.12Å; I885-C888 VanDerWaalsContact O-N 3.1Å; I885-W890 HydrophobicContact CG2-CH2 4.35Å; I885-W890 HydrophobicContact CG2-CZ3 4.19Å; I885-A893 HydrophobicContact CG1-CB 3.75Å; I885-Y912 HydrophobicContact CD1-CD1 3.46Å; I885-Y912 VanDerWaalsContact CD1-CD1 3.46Å; I885-Y912 HydrophobicContact CD1-CE1 3.96Å |
| 886 | N | 84.8 | Confident | 86.3 | Confident | 108 Ų | 108 | 52.5 Ų | 52.5 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.3 | -29.3 | 178.5 | -70.3 | -22.8 | 0 | 0 | 0 | 112.5 | M864 D882 A883 C888 | M864-N886 HydrophobicContact CE-CB 4.34Å; M864-N886 HydrophobicContact SD-CB 3.64Å; D882-N886 VanDerWaalsContact O-CB 3.29Å; D882-N886 WeakPolarHBondContact O-CB 3.4Å; D882-N886 PolarHBondContact O-N 2.97Å; D882-N886 PolarHBondContact O-ND2 3.28Å; A883-N886 PolarHBondContact O-N 2.86Å; N886-C888 VanDerWaalsContact C-N 3.3Å |
| 887 | S | 84.3 | Confident | 86.2 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 12.3 | 172.6 | 79 | 0 | 0 | 0 | 0 | 114.7 | D865 A883 I885 Q889 | D865-S887 WeakPolarHBondContact OD1-CB 3.31Å; D865-S887 PolarHBondContact OD1-OG 3.04Å; A883-S887 WeakPolarHBondContact O-CB 3.1Å; A883-S887 PolarHBondContact O-N 2.97Å; A883-S887 PolarHBondContact O-OG 3.27Å; I885-S887 VanDerWaalsContact C-N 3.28Å; I885-S887 PolarHBondContact O-N 3.4Å; S887-Q889 PolarHBondContact O-N 3.29Å; S887-Q889 WeakPolarHBondContact OG-CG 3.38Å |
| 888 | C | 84.6 | Confident | 85.9 | Confident | 87 Ų | 87 | 49.4 Ų | 49.4 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 23.8 | 178.7 | -60.5 | 0 | 0 | 0 | 0 | 114.4 | A884 I885 N886 W890 | A884-C888 PolarHBondContact O-N 3.2Å; I885-C888 PolarHBondContact O-N 3.12Å; I885-C888 VanDerWaalsContact O-N 3.1Å; N886-C888 VanDerWaalsContact C-N 3.3Å; C888-W890 VanDerWaalsContact C-N 3.31Å; C888-W890 PolarHBondContact O-N 2.66Å; C888-W890 VanDerWaalsContact O-N 3.14Å |
| 889 | Q | 86.3 | Confident | 85.6 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | trans | -87.9 | 65.4 | 175.8 | -64.3 | -176.7 | 13.5 | 0 | 0 | 110.8 | D865 A884 S887 T891 K892 A893 | D865-Q889 PolarHBondContact OD1-NE2 3.25Å; A884-Q889 HydrophobicContact CB-CB 4.47Å; A884-Q889 WeakPolarHBondContact O-CA 3.32Å; A884-Q889 PolarHBondContact O-N 2.89Å; S887-Q889 PolarHBondContact O-N 3.29Å; S887-Q889 WeakPolarHBondContact OG-CG 3.38Å; Q889-T891 VanDerWaalsContact C-N 3.28Å; Q889-T891 PolarHBondContact O-N 3.28Å; Q889-K892 HydrophobicContact CB-CB 4.19Å; Q889-K892 HydrophobicContact CB-CG 4.41Å; Q889-K892 PolarHBondContact O-N 3.15Å; Q889-K892 VanDerWaalsContact O-N 3.14Å; Q889-A893 PolarHBondContact O-N 3.44Å | ||
| 890 | W | 86.4 | Confident | 85.2 | Confident | 70 Ų | 70 | 45.5 Ų | 45.5 | 27% | 0.265 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.4 | -34.6 | -174 | -57.4 | 103.4 | 0 | 0 | 0 | 114.4 | I885 C888 A893 S894 H919 | I885-W890 HydrophobicContact CG2-CH2 4.35Å; I885-W890 HydrophobicContact CG2-CZ3 4.19Å; C888-W890 VanDerWaalsContact C-N 3.31Å; C888-W890 PolarHBondContact O-N 2.66Å; C888-W890 VanDerWaalsContact O-N 3.14Å; W890-A893 PolarHBondContact O-N 2.93Å; W890-S894 WeakPolarHBondContact O-CB 3.3Å; W890-S894 PolarHBondContact O-N 3.21Å; W890-H919 AromaticContact CD1-CD2 3.8Å; W890-H919 AromaticContact CD1-CE1 3.8Å; W890-H919 AromaticContact CD1-NE2 3.34Å; W890-H919 VanDerWaalsContact CD1-NE2 3.34Å; W890-H919 AromaticContact CD2-CD2 3.93Å; W890-H919 AromaticContact CE2-CD2 3.6Å; W890-H919 AromaticContact CE2-NE2 3.98Å; W890-H919 AromaticContact CG-CE1 3.98Å; W890-H919 AromaticContact CG-NE2 3.86Å; W890-H919 AromaticContact NE1-CD2 3.49Å; W890-H919 PolarHBondContact NE1-CD2 3.38Å; W890-H919 AromaticContact NE1-NE2 3.41Å; W890-H919 PolarHBondContact NE1-NE2 2.88Å |
| 891 | T | 85 | Confident | 84.2 | Confident | 103 Ų | 103 | 49.1 Ų | 49.1 | 63% | 0.632 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -69.2 | -45.1 | 177.2 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | Q889 A893 S894 H895 | Q889-T891 VanDerWaalsContact C-N 3.28Å; Q889-T891 PolarHBondContact O-N 3.28Å; T891-A893 VanDerWaalsContact C-N 3.33Å; T891-S894 WeakPolarHBondContact O-CB 3.43Å; T891-S894 PolarHBondContact O-N 3.04Å; T891-H895 PolarHBondContact O-CD2 3.4Å; T891-H895 VanDerWaalsContact O-CD2 3.24Å; T891-H895 PolarHBondContact O-N 2.93Å |
| 892 | K | 83.5 | Confident | 83.4 | Confident | 92 Ų | 92 | 56.5 Ų | 56.5 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 172.6 | -66.1 | -160.9 | -160.8 | 157.6 | 0 | 110.8 | A884 Q889 S894 H895 I896 | A884-K892 HydrophobicContact CB-CB 4.49Å; Q889-K892 HydrophobicContact CB-CB 4.19Å; Q889-K892 HydrophobicContact CB-CG 4.41Å; Q889-K892 PolarHBondContact O-N 3.15Å; Q889-K892 VanDerWaalsContact O-N 3.14Å; K892-S894 VanDerWaalsContact C-N 3.34Å; K892-S894 PolarHBondContact O-N 3.41Å; K892-H895 PolarHBondContact O-N 2.7Å; K892-I896 WeakPolarHBondContact O-CD1 3.49Å; K892-I896 WeakPolarHBondContact O-CG1 3.42Å; K892-I896 PolarHBondContact O-N 2.79Å |
| 893 | A | 84.5 | Confident | 82.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A884 I885 Q889 W890 T891 H895 I896 L897 | A884-A893 HydrophobicContact CB-CB 4.23Å; I885-A893 HydrophobicContact CG1-CB 3.75Å; Q889-A893 PolarHBondContact O-N 3.44Å; W890-A893 PolarHBondContact O-N 2.93Å; T891-A893 VanDerWaalsContact C-N 3.33Å; A893-H895 PolarHBondContact O-N 2.88Å; A893-I896 PolarHBondContact O-N 3.22Å; A893-L897 WeakPolarHBondContact O-CB 3.26Å; A893-L897 VanDerWaalsContact O-CG 3.23Å; A893-L897 WeakPolarHBondContact O-CG 3.46Å; A893-L897 PolarHBondContact O-N 3.06Å |
| 894 | S | 83.7 | Confident | 81.4 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 18% | 0.175 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | W890 T891 K892 N898 | W890-S894 WeakPolarHBondContact O-CB 3.3Å; W890-S894 PolarHBondContact O-N 3.21Å; T891-S894 WeakPolarHBondContact O-CB 3.43Å; T891-S894 PolarHBondContact O-N 3.04Å; K892-S894 VanDerWaalsContact C-N 3.34Å; K892-S894 PolarHBondContact O-N 3.41Å; S894-N898 WeakPolarHBondContact O-CB 2.95Å; S894-N898 PolarHBondContact O-N 3.17Å; S894-N898 PolarHBondContact O-ND2 3.04Å; S894-N898 PolarHBondContact O-OD1 2.78Å |
| 895 | H | 85.3 | Confident | 80.5 | Confident | 135 Ų | 135 | 68 Ų | 68 | 63% | 0.625 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.6 | -42.8 | 177.2 | -74.2 | -49.4 | 0 | 0 | 0 | 112.5 | T891 K892 A893 N898 S899 | T891-H895 PolarHBondContact O-CD2 3.4Å; T891-H895 VanDerWaalsContact O-CD2 3.24Å; T891-H895 PolarHBondContact O-N 2.93Å; K892-H895 PolarHBondContact O-N 2.7Å; A893-H895 PolarHBondContact O-N 2.88Å; H895-N898 PolarHBondContact O-N 3.41Å; H895-S899 PolarHBondContact O-N 3.37Å |
| 896 | I | 85.3 | Confident | 79.5 | Confident | 20 Ų | 20 | 72.2 Ų | 72.2 | 10% | 0.103 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 175.9 | -61.7 | 162.1 | 0 | 0 | 0 | 109.4 | A880 T881 A884 K892 A893 S899 I900 | A880-I896 HydrophobicContact CB-CD1 4.36Å; T881-I896 WeakPolarHBondContact OG1-CG2 3.45Å; A884-I896 HydrophobicContact CB-CD1 4.16Å; K892-I896 WeakPolarHBondContact O-CD1 3.49Å; K892-I896 WeakPolarHBondContact O-CG1 3.42Å; K892-I896 PolarHBondContact O-N 2.79Å; A893-I896 PolarHBondContact O-N 3.22Å; I896-S899 PolarHBondContact O-N 3.47Å; I896-S899 PolarHBondContact O-OG 3.32Å; I896-I900 HydrophobicContact CG2-CD1 3.77Å; I896-I900 WeakPolarHBondContact O-CD1 3.25Å; I896-I900 VanDerWaalsContact O-CG1 3.28Å; I896-I900 WeakPolarHBondContact O-CG1 3.48Å; I896-I900 PolarHBondContact O-N 2.73Å |
| 897 | L | 83.9 | Confident | 78.8 | Confident | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 177.2 | -73.5 | 167.7 | 0 | 0 | 0 | 112.5 | T881 A893 S899 I900 E901 L909 Y912 L916 | T881-L897 HydrophobicContact CG2-CD2 4.07Å; T881-L897 HydrophobicContact CG2-CG 4.07Å; A893-L897 WeakPolarHBondContact O-CB 3.26Å; A893-L897 VanDerWaalsContact O-CG 3.23Å; A893-L897 WeakPolarHBondContact O-CG 3.46Å; A893-L897 PolarHBondContact O-N 3.06Å; L897-S899 VanDerWaalsContact C-N 3.25Å; L897-S899 PolarHBondContact O-N 2.85Å; L897-I900 CarbonylContact O-C 3.44Å; L897-I900 PolarHBondContact O-N 3.39Å; L897-E901 PolarHBondContact O-N 3.46Å; L897-L909 HydrophobicContact CD2-CD2 3.82Å; L897-Y912 HydrophobicContact CD2-CD2 4.47Å; L897-Y912 HydrophobicContact CD2-CG 4.25Å; L897-L916 HydrophobicContact CD1-CD1 4.08Å |
| 898 | N | 82.1 | Confident | 78.3 | Confident | 72 Ų | 72 | 79.6 Ų | 79.6 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.5 | -32.5 | 176.1 | -71 | -11.8 | 0 | 0 | 0 | 112 | S894 H895 I900 | S894-N898 WeakPolarHBondContact O-CB 2.95Å; S894-N898 PolarHBondContact O-N 3.17Å; S894-N898 PolarHBondContact O-ND2 3.04Å; S894-N898 PolarHBondContact O-OD1 2.78Å; H895-N898 PolarHBondContact O-N 3.41Å; N898-I900 VanDerWaalsContact C-N 3.25Å; N898-I900 PolarHBondContact O-N 3.48Å |
| 899 | S | 80.5 | Confident | 78 | Confident | 69 Ų | 69 | 76 Ų | 76 | 48% | 0.483 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.9 | -20.7 | 174.9 | 79.2 | 0 | 0 | 0 | 0 | 113.6 | H895 I896 L897 | H895-S899 PolarHBondContact O-N 3.37Å; I896-S899 PolarHBondContact O-N 3.47Å; I896-S899 PolarHBondContact O-OG 3.32Å; L897-S899 VanDerWaalsContact C-N 3.25Å; L897-S899 PolarHBondContact O-N 2.85Å |
| 900 | I | 80.8 | Confident | 77.7 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 6% | 0.062 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -100.6 | -16.8 | -178.6 | -61 | 166.2 | 0 | 0 | 0 | 111.9 | I896 L897 N898 N902 K903 K904 L909 | I896-I900 HydrophobicContact CG2-CD1 3.77Å; I896-I900 WeakPolarHBondContact O-CD1 3.25Å; I896-I900 VanDerWaalsContact O-CG1 3.28Å; I896-I900 WeakPolarHBondContact O-CG1 3.48Å; I896-I900 PolarHBondContact O-N 2.73Å; L897-I900 CarbonylContact O-C 3.44Å; L897-I900 PolarHBondContact O-N 3.39Å; N898-I900 VanDerWaalsContact C-N 3.25Å; N898-I900 PolarHBondContact O-N 3.48Å; I900-N902 PolarHBondContact O-N 3.36Å; I900-K903 PolarHBondContact O-N 3.11Å; I900-K904 HydrophobicContact CG2-CB 3.89Å; I900-K904 HydrophobicContact CG2-CD 3.6Å; I900-K904 HydrophobicContact CG2-CG 3.65Å; I900-K904 PolarHBondContact O-N 2.86Å; I900-L909 HydrophobicContact CG2-CD2 4.29Å |
| 901 | E | 67.7 | Low | 77.6 | Confident | 76 Ų | 76 | 75.8 Ų | 75.8 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -30.9 | -173.8 | -165.9 | 170.2 | -157.1 | 0 | 0 | 113.3 | L897 K935 | L897-E901 PolarHBondContact O-N 3.46Å; E901-K935 IonicContact OE1-NZ 3.6Å; E901-K935 PolarHBondContact OE1-NZ 3.5Å; E901-K935 IonicContact OE2-NZ 2.68Å |
| 902 | N | 70.2 | Confident | 77.6 | Confident | 160 Ų | 160 | 73.4 Ų | 73.4 | 86% | 0.856 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -12.1 | 177.9 | -64.4 | -26.6 | 0 | 0 | 0 | 114.9 | I900 | I900-N902 PolarHBondContact O-N 3.36Š|
| 903 | K | 66.2 | Low | 77.7 | Confident | 176 Ų | 176 | 69.8 Ų | 69.8 | 77% | 0.765 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -16.6 | -171.4 | -67.6 | -179.2 | -179.4 | 174.6 | 0 | 114.1 | I900 | I900-K903 PolarHBondContact O-N 3.11Š|
| 904 | K | 68.5 | Low | 77.7 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -132.8 | 153.4 | -177.7 | -66.2 | -170 | -174.5 | 171.9 | 0 | 112.3 | I900 | I900-K904 HydrophobicContact CG2-CB 3.89Å; I900-K904 HydrophobicContact CG2-CD 3.6Å; I900-K904 HydrophobicContact CG2-CG 3.65Å; I900-K904 PolarHBondContact O-N 2.86Å |
| 905 | S | 69.6 | Low | 77.8 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 43% | 0.434 | 39% | 0.392 | S | S | . | . | trans | -61.2 | 139.9 | -179.9 | 52 | 0 | 0 | 0 | 0 | 113.4 | E907 Q908 | S905-E907 PolarHBondContact O-N 3.01Å; S905-E907 VanDerWaalsContact O-N 3.1Å; S905-Q908 PolarHBondContact O-N 3.33Å; S905-Q908 WeakPolarHBondContact OG-CG 3.34Å | ||
| 906 | T | 65.6 | Low | 77.9 | Confident | 106 Ų | 106 | 70.6 Ų | 70.6 | 65% | 0.65 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -54.9 | -29.6 | -179.8 | -42.5 | 0 | 0 | 0 | 0 | 113.9 | L909 S910 | T906-L909 PolarHBondContact O-N 2.83Å; T906-S910 PolarHBondContact O-N 3.4Å |
| 907 | E | 70.4 | Confident | 77.8 | Confident | 175 Ų | 175 | 69.7 Ų | 69.7 | 82% | 0.818 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.2 | -36.4 | 177.2 | -65.4 | -179.9 | 176.3 | 0 | 0 | 113.2 | S905 L909 | S905-E907 PolarHBondContact O-N 3.01Å; S905-E907 VanDerWaalsContact O-N 3.1Å; E907-L909 VanDerWaalsContact C-N 3.26Å; E907-L909 PolarHBondContact O-N 2.89Å |
| 908 | Q | 73.8 | Confident | 77.9 | Confident | 115 Ų | 115 | 75.4 Ų | 75.4 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.7 | -22.5 | 176.2 | -72.1 | -178.9 | -8.9 | 0 | 0 | 112.3 | S905 Y912 | S905-Q908 PolarHBondContact O-N 3.33Å; S905-Q908 WeakPolarHBondContact OG-CG 3.34Å; Q908-Y912 WeakPolarHBondContact O-CD2 3.42Å; Q908-Y912 WeakPolarHBondContact O-CE2 3.41Å |
| 909 | L | 79.6 | Confident | 78.1 | Confident | 10 Ų | 10 | 74.4 Ų | 74.4 | 5% | 0.052 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -97.2 | -25.5 | -176.8 | -61.3 | 176.2 | 0 | 0 | 0 | 113.4 | L897 I900 T906 E907 P911 Y912 F913 | L897-L909 HydrophobicContact CD2-CD2 3.82Å; I900-L909 HydrophobicContact CG2-CD2 4.29Å; T906-L909 PolarHBondContact O-N 2.83Å; E907-L909 VanDerWaalsContact C-N 3.26Å; E907-L909 PolarHBondContact O-N 2.89Å; L909-P911 VanDerWaalsContact C-CD 3.49Å; L909-Y912 WeakPolarHBondContact O-CB 3.31Å; L909-Y912 PolarHBondContact O-N 3.28Å; L909-F913 HydrophobicContact CB-CD2 4.17Å; L909-F913 HydrophobicContact CB-CE2 3.9Å; L909-F913 WeakPolarHBondContact O-CD2 3.49Å; L909-F913 PolarHBondContact O-N 3.49Å; L909-F913 VanDerWaalsContact O-N 3.15Å |
| 910 | S | 78.6 | Confident | 78.4 | Confident | 41 Ų | 41 | 73.7 Ų | 73.7 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -45.9 | -48.8 | 179 | 179.9 | 0 | 0 | 0 | 0 | 115.5 | T906 Y912 F913 L914 | T906-S910 PolarHBondContact O-N 3.4Å; S910-Y912 VanDerWaalsContact C-N 3.25Å; S910-Y912 PolarHBondContact O-N 2.8Å; S910-F913 PolarHBondContact O-N 2.91Å; S910-L914 PolarHBondContact O-N 3.45Å; S910-L914 VanDerWaalsContact O-N 3.09Å |
| 911 | P | 84.6 | Confident | 78.6 | Confident | 68 Ų | 68 | 76.2 Ų | 76.2 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.1 | -29.3 | 179.9 | 24.1 | -33.7 | 0 | 0 | 0 | 113.1 | L909 K915 | L909-P911 VanDerWaalsContact C-CD 3.49Å; P911-K915 PolarHBondContact O-N 2.69Å |
| 912 | Y | 85 | Confident | 79.4 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 20% | 0.204 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -74.2 | -38 | 177.1 | -59.6 | -77.1 | 0 | 0 | 0 | 111.4 | D882 I885 L897 Q908 L909 S910 K915 L916 | D882-Y912 PolarHBondContact OD1-OH 3.14Å; I885-Y912 HydrophobicContact CD1-CD1 3.46Å; I885-Y912 VanDerWaalsContact CD1-CD1 3.46Å; I885-Y912 HydrophobicContact CD1-CE1 3.96Å; L897-Y912 HydrophobicContact CD2-CD2 4.47Å; L897-Y912 HydrophobicContact CD2-CG 4.25Å; Q908-Y912 WeakPolarHBondContact O-CD2 3.42Å; Q908-Y912 WeakPolarHBondContact O-CE2 3.41Å; L909-Y912 WeakPolarHBondContact O-CB 3.31Å; L909-Y912 PolarHBondContact O-N 3.28Å; S910-Y912 VanDerWaalsContact C-N 3.25Å; S910-Y912 PolarHBondContact O-N 2.8Å; Y912-K915 PolarHBondContact O-N 3.25Å; Y912-L916 PolarHBondContact O-N 2.86Å; Y912-L916 VanDerWaalsContact O-N 3.16Å |
| 913 | F | 85.8 | Confident | 80 | Confident | 17 Ų | 17 | 73.4 Ų | 73.4 | 8% | 0.075 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.8 | -35.3 | 174.3 | -75.7 | -61.9 | 0 | 0 | 0 | 113.6 | L909 S910 L916 A917 K935 | L909-F913 HydrophobicContact CB-CD2 4.17Å; L909-F913 HydrophobicContact CB-CE2 3.9Å; L909-F913 WeakPolarHBondContact O-CD2 3.49Å; L909-F913 PolarHBondContact O-N 3.49Å; L909-F913 VanDerWaalsContact O-N 3.15Å; S910-F913 PolarHBondContact O-N 2.91Å; F913-L916 WeakPolarHBondContact O-CB 3.46Å; F913-L916 PolarHBondContact O-N 3.21Å; F913-A917 PolarHBondContact O-N 3.39Å; F913-K935 HydrophobicContact CD1-CD 4.3Å; F913-K935 HydrophobicContact CE1-CD 3.92Å; F913-K935 HydrophobicContact CZ-CD 4.2Å |
| 914 | L | 85.5 | Confident | 80.7 | Confident | 61 Ų | 61 | 74.2 Ų | 74.2 | 32% | 0.319 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 174.8 | -79.1 | 170.1 | 0 | 0 | 0 | 112.5 | S910 L916 A917 Q918 A936 | S910-L914 PolarHBondContact O-N 3.45Å; S910-L914 VanDerWaalsContact O-N 3.09Å; L914-L916 PolarHBondContact O-N 2.71Å; L914-A917 PolarHBondContact O-N 2.84Å; L914-Q918 WeakPolarHBondContact O-CG 3.44Å; L914-Q918 PolarHBondContact O-N 2.95Å; L914-A936 HydrophobicContact CD2-CB 3.74Å; L914-A936 HydrophobicContact CG-CB 3.96Å |
| 915 | K | 85.1 | Confident | 81.5 | Confident | 106 Ų | 106 | 75.7 Ų | 75.7 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 173.7 | -72.7 | -179.6 | -180 | -179.3 | 0 | 111.3 | P911 Y912 H919 | P911-K915 PolarHBondContact O-N 2.69Å; Y912-K915 PolarHBondContact O-N 3.25Å; K915-H919 PolarHBondContact O-N 2.9Å; K915-H919 VanDerWaalsContact O-N 3.08Å |
| 916 | L | 86.6 | Confident | 82.2 | Confident | 11 Ų | 11 | 75.2 Ų | 75.2 | 6% | 0.058 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 174.8 | -125.8 | 155.2 | 0 | 0 | 0 | 112.1 | L897 Y912 F913 L914 H919 Y920 | L897-L916 HydrophobicContact CD1-CD1 4.08Å; Y912-L916 PolarHBondContact O-N 2.86Å; Y912-L916 VanDerWaalsContact O-N 3.16Å; F913-L916 WeakPolarHBondContact O-CB 3.46Å; F913-L916 PolarHBondContact O-N 3.21Å; L914-L916 PolarHBondContact O-N 2.71Å; L916-H919 PolarHBondContact O-N 3.08Å; L916-Y920 HydrophobicContact CD2-CD2 3.79Å; L916-Y920 HydrophobicContact CD2-CE1 4.17Å; L916-Y920 HydrophobicContact CD2-CE2 3.05Å; L916-Y920 WeakPolarHBondContact CD2-OH 3.37Å; L916-Y920 HydrophobicContact CG-CE2 4.45Å; L916-Y920 VanDerWaalsContact O-CD2 3.31Å; L916-Y920 WeakPolarHBondContact O-CD2 3.45Å; L916-Y920 PolarHBondContact O-N 3.27Å |
| 917 | A | 84 | Confident | 83.1 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F913 L914 Y920 I921 A932 F933 | F913-A917 PolarHBondContact O-N 3.39Å; L914-A917 PolarHBondContact O-N 2.84Å; A917-Y920 PolarHBondContact O-N 3.38Å; A917-I921 WeakPolarHBondContact O-CG1 3.28Å; A917-I921 PolarHBondContact O-N 2.92Å; A917-A932 HydrophobicContact CB-CB 3.55Å; A917-F933 HydrophobicContact CB-CD1 4.24Å; A917-F933 HydrophobicContact CB-CE1 4.16Å; A917-F933 HydrophobicContact CB-CE2 4.49Å; A917-F933 HydrophobicContact CB-CG 4.44Å; A917-F933 HydrophobicContact CB-CZ 4.29Å |
| 918 | Q | 85.4 | Confident | 83.6 | Confident | 124 Ų | 124 | 67.5 Ų | 67.5 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.8 | -41.9 | 176.1 | -71.8 | 174.9 | -9.6 | 0 | 0 | 111.7 | L914 I921 V922 | L914-Q918 WeakPolarHBondContact O-CG 3.44Å; L914-Q918 PolarHBondContact O-N 2.95Å; Q918-I921 PolarHBondContact O-N 2.93Å; Q918-V922 WeakPolarHBondContact O-CG2 3.3Å; Q918-V922 PolarHBondContact O-N 3.24Å |
| 919 | H | 86.5 | Confident | 84.2 | Confident | 52 Ų | 52 | 62 Ų | 62 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 173.5 | -178.7 | -93.4 | 0 | 0 | 0 | 111.5 | W890 K915 L916 I921 V922 C923 | W890-H919 AromaticContact CD1-CD2 3.8Å; W890-H919 AromaticContact CD1-CE1 3.8Å; W890-H919 AromaticContact CD1-NE2 3.34Å; W890-H919 VanDerWaalsContact CD1-NE2 3.34Å; W890-H919 AromaticContact CD2-CD2 3.93Å; W890-H919 AromaticContact CE2-CD2 3.6Å; W890-H919 AromaticContact CE2-NE2 3.98Å; W890-H919 AromaticContact CG-CE1 3.98Å; W890-H919 AromaticContact CG-NE2 3.86Å; W890-H919 AromaticContact NE1-CD2 3.49Å; W890-H919 PolarHBondContact NE1-CD2 3.38Å; W890-H919 AromaticContact NE1-NE2 3.41Å; W890-H919 PolarHBondContact NE1-NE2 2.88Å; K915-H919 PolarHBondContact O-N 2.9Å; K915-H919 VanDerWaalsContact O-N 3.08Å; L916-H919 PolarHBondContact O-N 3.08Å; H919-I921 VanDerWaalsContact C-N 3.32Å; H919-I921 PolarHBondContact O-N 2.87Å; H919-V922 WeakPolarHBondContact O-CB 2.9Å; H919-V922 PolarHBondContact O-N 3.03Å; H919-V922 VanDerWaalsContact O-N 3.07Å; H919-C923 PolarHBondContact CE1-SG 3.1Å; H919-C923 PolarHBondContact O-N 3.26Å; H919-C923 PolarHBondContact O-SG 3.41Å; H919-C923 VanDerWaalsContact O-SG 3.41Å |
| 920 | Y | 87.1 | Confident | 84.5 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 21% | 0.208 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -33.4 | 177.6 | -72.3 | -43.9 | 0 | 0 | 0 | 113.8 | L916 A917 C923 R924 E925 A928 A932 | L916-Y920 HydrophobicContact CD2-CD2 3.79Å; L916-Y920 HydrophobicContact CD2-CE1 4.17Å; L916-Y920 HydrophobicContact CD2-CE2 3.05Å; L916-Y920 WeakPolarHBondContact CD2-OH 3.37Å; L916-Y920 HydrophobicContact CG-CE2 4.45Å; L916-Y920 VanDerWaalsContact O-CD2 3.31Å; L916-Y920 WeakPolarHBondContact O-CD2 3.45Å; L916-Y920 PolarHBondContact O-N 3.27Å; A917-Y920 PolarHBondContact O-N 3.38Å; Y920-C923 CarbonylContact O-C 3.55Å; Y920-C923 PolarHBondContact O-N 3.23Å; Y920-R924 PolarHBondContact O-N 2.9Å; Y920-R924 VanDerWaalsContact O-N 3.13Å; Y920-E925 HydrophobicContact CD1-CB 4.12Å; Y920-E925 WeakPolarHBondContact CD1-OE2 3.33Å; Y920-E925 WeakPolarHBondContact CE1-OE2 3.38Å; Y920-E925 PolarHBondContact O-N 3.44Å; Y920-A928 HydrophobicContact CD1-CB 3.84Å; Y920-A928 HydrophobicContact CD2-CB 3.64Å; Y920-A928 HydrophobicContact CE1-CB 4.02Å; Y920-A928 HydrophobicContact CE2-CB 3.76Å; Y920-A928 HydrophobicContact CG-CB 3.69Å; Y920-A932 HydrophobicContact CD2-CB 4.32Å |
| 921 | I | 85 | Confident | 84.8 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 33% | 0.333 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 171 | -67.7 | 162.8 | 0 | 0 | 0 | 110.6 | A917 Q918 H919 C923 R924 A929 F933 M945 | A917-I921 WeakPolarHBondContact O-CG1 3.28Å; A917-I921 PolarHBondContact O-N 2.92Å; Q918-I921 PolarHBondContact O-N 2.93Å; H919-I921 VanDerWaalsContact C-N 3.32Å; H919-I921 PolarHBondContact O-N 2.87Å; I921-C923 VanDerWaalsContact C-N 3.32Å; I921-C923 PolarHBondContact O-N 3.27Å; I921-R924 PolarHBondContact O-N 3.35Å; I921-R924 VanDerWaalsContact O-N 3.12Å; I921-A929 HydrophobicContact CG1-CB 3.94Å; I921-F933 HydrophobicContact CD1-CE2 3.51Å; I921-F933 HydrophobicContact CD1-CZ 3.38Å; I921-F933 HydrophobicContact CG1-CE2 4.1Å; I921-F933 HydrophobicContact CG1-CZ 4.42Å; I921-M945 HydrophobicContact CG1-SD 4.48Å |
| 922 | V | 84.3 | Confident | 84.7 | Confident | 120 Ų | 120 | 63.6 Ų | 63.6 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.4 | -37.9 | 178.2 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | Q918 H919 R924 | Q918-V922 WeakPolarHBondContact O-CG2 3.3Å; Q918-V922 PolarHBondContact O-N 3.24Å; H919-V922 WeakPolarHBondContact O-CB 2.9Å; H919-V922 PolarHBondContact O-N 3.03Å; H919-V922 VanDerWaalsContact O-N 3.07Å; V922-R924 PolarHBondContact O-N 2.77Å |
| 923 | C | 82.4 | Confident | 84.8 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 0.5 | 175.5 | -66.4 | 0 | 0 | 0 | 0 | 114.4 | H919 Y920 I921 E925 | H919-C923 PolarHBondContact CE1-SG 3.1Å; H919-C923 PolarHBondContact O-N 3.26Å; H919-C923 PolarHBondContact O-SG 3.41Å; H919-C923 VanDerWaalsContact O-SG 3.41Å; Y920-C923 CarbonylContact O-C 3.55Å; Y920-C923 PolarHBondContact O-N 3.23Å; I921-C923 VanDerWaalsContact C-N 3.32Å; I921-C923 PolarHBondContact O-N 3.27Å; C923-E925 HydrophobicContact CB-CG 4.36Å; C923-E925 PolarHBondContact O-N 2.85Å |
| 924 | R | 81.3 | Confident | 84.7 | Confident | 193 Ų | 193 | 65.5 Ų | 65.5 | 73% | 0.728 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 22.9 | -176.3 | -55.2 | -178.7 | 174.5 | -171.7 | -1.9 | 114.3 | Y920 I921 V922 Y926 | Y920-R924 PolarHBondContact O-N 2.9Å; Y920-R924 VanDerWaalsContact O-N 3.13Å; I921-R924 PolarHBondContact O-N 3.35Å; I921-R924 VanDerWaalsContact O-N 3.12Å; V922-R924 PolarHBondContact O-N 2.77Å; R924-Y926 HydrophobicContact CB-CE2 4.3Å; R924-Y926 PolarHBondContact O-N 3.29Å |
| 925 | E | 84.6 | Confident | 84.5 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | trans | -91.2 | 70.2 | 175.4 | -67.7 | -171.5 | -173.5 | 0 | 0 | 110.4 | Y920 C923 N927 A928 A929 | Y920-E925 HydrophobicContact CD1-CB 4.12Å; Y920-E925 WeakPolarHBondContact CD1-OE2 3.33Å; Y920-E925 WeakPolarHBondContact CE1-OE2 3.38Å; Y920-E925 PolarHBondContact O-N 3.44Å; C923-E925 HydrophobicContact CB-CG 4.36Å; C923-E925 PolarHBondContact O-N 2.85Å; E925-N927 VanDerWaalsContact C-N 3.27Å; E925-N927 PolarHBondContact O-N 3.41Å; E925-A928 HydrophobicContact CB-CB 3.97Å; E925-A928 PolarHBondContact O-N 3.16Å; E925-A929 PolarHBondContact O-N 2.84Å | ||
| 926 | Y | 84.9 | Confident | 84.3 | Confident | 52 Ų | 52 | 62.8 Ų | 62.8 | 20% | 0.204 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -30 | -171.9 | -52.9 | -59.6 | 0 | 0 | 0 | 114.1 | R924 A929 E930 M945 I949 M951 | R924-Y926 HydrophobicContact CB-CE2 4.3Å; R924-Y926 PolarHBondContact O-N 3.29Å; Y926-A929 PolarHBondContact O-N 3.32Å; Y926-E930 VanDerWaalsContact O-CB 3.29Å; Y926-E930 WeakPolarHBondContact O-CB 3.48Å; Y926-E930 PolarHBondContact O-N 3.45Å; Y926-M945 HydrophobicContact CD1-CG 4.36Å; Y926-M945 HydrophobicContact CD1-SD 3.95Å; Y926-I949 HydrophobicContact CD1-CD1 3.45Å; Y926-I949 VanDerWaalsContact CD1-CD1 3.45Å; Y926-I949 HydrophobicContact CD2-CD1 4.33Å; Y926-I949 HydrophobicContact CE1-CD1 3.25Å; Y926-I949 HydrophobicContact CE1-CG1 4.18Å; Y926-I949 HydrophobicContact CE2-CD1 4.14Å; Y926-I949 HydrophobicContact CE2-CG2 4.3Å; Y926-I949 HydrophobicContact CG-CD1 4Å; Y926-M951 HydrophobicContact CD2-CE 4.23Å; Y926-M951 HydrophobicContact CE2-CE 4.32Å |
| 927 | N | 84.1 | Confident | 84 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 175.1 | -62.8 | -21.4 | 0 | 0 | 0 | 111.6 | E925 E930 N931 K954 | E925-N927 VanDerWaalsContact C-N 3.27Å; E925-N927 PolarHBondContact O-N 3.41Å; N927-E930 PolarHBondContact O-N 2.91Å; N927-N931 PolarHBondContact O-N 3.46Å; N927-N931 PolarHBondContact O-ND2 2.81Å; N927-K954 PolarHBondContact OD1-NZ 3.3Å |
| 928 | A | 82.6 | Confident | 83.9 | Confident | 21 Ų | 21 | 74 Ų | 74 | 17% | 0.174 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.5 | -36.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y920 E925 N931 A932 | Y920-A928 HydrophobicContact CD1-CB 3.84Å; Y920-A928 HydrophobicContact CD2-CB 3.64Å; Y920-A928 HydrophobicContact CE1-CB 4.02Å; Y920-A928 HydrophobicContact CE2-CB 3.76Å; Y920-A928 HydrophobicContact CG-CB 3.69Å; E925-A928 HydrophobicContact CB-CB 3.97Å; E925-A928 PolarHBondContact O-N 3.16Å; A928-N931 PolarHBondContact O-N 2.7Å; A928-A932 WeakPolarHBondContact O-CB 3.33Å; A928-A932 PolarHBondContact O-N 3.42Å |
| 929 | A | 85.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I921 E925 Y926 A932 F933 M945 | I921-A929 HydrophobicContact CG1-CB 3.94Å; E925-A929 PolarHBondContact O-N 2.84Å; Y926-A929 PolarHBondContact O-N 3.32Å; A929-A932 PolarHBondContact O-N 2.93Å; A929-F933 HydrophobicContact CB-CD2 4.38Å; A929-F933 HydrophobicContact CB-CE2 4.32Å; A929-F933 WeakPolarHBondContact O-CB 3.34Å; A929-F933 WeakPolarHBondContact O-CD2 3.03Å; A929-F933 WeakPolarHBondContact O-CG 3.33Å; A929-F933 PolarHBondContact O-N 3.31Å; A929-M945 HydrophobicContact CB-SD 4.24Å |
| 930 | E | 84.8 | Confident | 83.4 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 22% | 0.224 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.2 | -50.3 | 174.2 | -178.7 | 179.5 | 156.7 | 0 | 0 | 110.7 | Y926 N927 A932 F933 L934 Y946 | Y926-E930 VanDerWaalsContact O-CB 3.29Å; Y926-E930 WeakPolarHBondContact O-CB 3.48Å; Y926-E930 PolarHBondContact O-N 3.45Å; N927-E930 PolarHBondContact O-N 2.91Å; E930-A932 VanDerWaalsContact C-N 3.34Å; E930-A932 PolarHBondContact O-N 2.78Å; E930-F933 PolarHBondContact O-N 2.91Å; E930-L934 HydrophobicContact CG-CD1 4.08Å; E930-L934 WeakPolarHBondContact O-CB 3.44Å; E930-L934 VanDerWaalsContact O-CG 3.22Å; E930-L934 WeakPolarHBondContact O-CG 3.24Å; E930-L934 PolarHBondContact O-N 3.4Å; E930-Y946 PolarHBondContact OE2-OH 3.23Å |
| 931 | N | 84.9 | Confident | 83.2 | Confident | 98 Ų | 98 | 77.9 Ų | 77.9 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -41.7 | 175.9 | -75.8 | -29.8 | 0 | 0 | 0 | 112.7 | N927 A928 L934 K935 | N927-N931 PolarHBondContact O-N 3.46Å; N927-N931 PolarHBondContact O-ND2 2.81Å; A928-N931 PolarHBondContact O-N 2.7Å; N931-L934 PolarHBondContact O-N 3.07Å; N931-K935 WeakPolarHBondContact O-CB 3.4Å; N931-K935 WeakPolarHBondContact O-CG 3.44Å; N931-K935 PolarHBondContact O-N 2.79Å |
| 932 | A | 84 | Confident | 83.1 | Confident | 6 Ų | 6 | 75 Ų | 75 | 5% | 0.05 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A917 Y920 A928 A929 E930 K935 A936 | A917-A932 HydrophobicContact CB-CB 3.55Å; Y920-A932 HydrophobicContact CD2-CB 4.32Å; A928-A932 WeakPolarHBondContact O-CB 3.33Å; A928-A932 PolarHBondContact O-N 3.42Å; A929-A932 PolarHBondContact O-N 2.93Å; E930-A932 VanDerWaalsContact C-N 3.34Å; E930-A932 PolarHBondContact O-N 2.78Å; A932-K935 PolarHBondContact O-N 2.72Å; A932-A936 VanDerWaalsContact O-CB 3.23Å; A932-A936 WeakPolarHBondContact O-CB 3.3Å; A932-A936 PolarHBondContact O-N 3.08Å |
| 933 | F | 87.4 | Confident | 82.9 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 6% | 0.057 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 173.3 | -80.2 | -54.8 | 0 | 0 | 0 | 112.6 | A917 I921 A929 E930 A936 N937 Q938 L941 M945 | A917-F933 HydrophobicContact CB-CD1 4.24Å; A917-F933 HydrophobicContact CB-CE1 4.16Å; A917-F933 HydrophobicContact CB-CE2 4.49Å; A917-F933 HydrophobicContact CB-CG 4.44Å; A917-F933 HydrophobicContact CB-CZ 4.29Å; I921-F933 HydrophobicContact CD1-CE2 3.51Å; I921-F933 HydrophobicContact CD1-CZ 3.38Å; I921-F933 HydrophobicContact CG1-CE2 4.1Å; I921-F933 HydrophobicContact CG1-CZ 4.42Å; A929-F933 HydrophobicContact CB-CD2 4.38Å; A929-F933 HydrophobicContact CB-CE2 4.32Å; A929-F933 WeakPolarHBondContact O-CB 3.34Å; A929-F933 WeakPolarHBondContact O-CD2 3.03Å; A929-F933 WeakPolarHBondContact O-CG 3.33Å; A929-F933 PolarHBondContact O-N 3.31Å; E930-F933 PolarHBondContact O-N 2.91Å; F933-A936 CarbonylContact O-C 3.5Å; F933-A936 PolarHBondContact O-N 3.15Å; F933-N937 PolarHBondContact O-N 3.23Å; F933-Q938 HydrophobicContact CD1-CB 4.36Å; F933-Q938 PolarHBondContact O-N 3.21Å; F933-L941 HydrophobicContact CD1-CB 4.47Å; F933-L941 HydrophobicContact CE1-CB 4.25Å; F933-L941 HydrophobicContact CE1-CD1 4.11Å; F933-L941 HydrophobicContact CZ-CB 4.49Å; F933-M945 HydrophobicContact CE2-SD 4.43Å |
| 934 | L | 83.6 | Confident | 82.9 | Confident | 96 Ų | 96 | 71.4 Ų | 71.4 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.2 | -44.9 | 173.4 | -68.9 | 173.1 | 0 | 0 | 0 | 111 | E930 N931 A936 N937 | E930-L934 HydrophobicContact CG-CD1 4.08Å; E930-L934 WeakPolarHBondContact O-CB 3.44Å; E930-L934 VanDerWaalsContact O-CG 3.22Å; E930-L934 WeakPolarHBondContact O-CG 3.24Å; E930-L934 PolarHBondContact O-N 3.4Å; N931-L934 PolarHBondContact O-N 3.07Å; L934-A936 PolarHBondContact O-N 2.95Å; L934-N937 PolarHBondContact O-N 2.83Å |
| 935 | K | 81.1 | Confident | 83 | Confident | 99 Ų | 99 | 63 Ų | 63 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62 | -26.3 | 172.2 | -73.9 | -169.3 | 178.1 | -154.8 | 0 | 112.7 | E901 F913 N931 A932 | E901-K935 IonicContact OE1-NZ 3.6Å; E901-K935 PolarHBondContact OE1-NZ 3.5Å; E901-K935 IonicContact OE2-NZ 2.68Å; F913-K935 HydrophobicContact CD1-CD 4.3Å; F913-K935 HydrophobicContact CE1-CD 3.92Å; F913-K935 HydrophobicContact CZ-CD 4.2Å; N931-K935 WeakPolarHBondContact O-CB 3.4Å; N931-K935 WeakPolarHBondContact O-CG 3.44Å; N931-K935 PolarHBondContact O-N 2.79Å; A932-K935 PolarHBondContact O-N 2.72Å |
| 936 | A | 81 | Confident | 83 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 1.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L914 A932 F933 L934 | L914-A936 HydrophobicContact CD2-CB 3.74Å; L914-A936 HydrophobicContact CG-CB 3.96Å; A932-A936 VanDerWaalsContact O-CB 3.23Å; A932-A936 WeakPolarHBondContact O-CB 3.3Å; A932-A936 PolarHBondContact O-N 3.08Å; F933-A936 CarbonylContact O-C 3.5Å; F933-A936 PolarHBondContact O-N 3.15Å; L934-A936 PolarHBondContact O-N 2.95Å |
| 937 | N | 80 | Confident | 82.6 | Confident | 151 Ų | 151 | 58.2 Ų | 58.2 | 81% | 0.807 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 40 | 177.7 | -151 | 15.8 | 0 | 0 | 0 | 116 | F933 L934 | F933-N937 PolarHBondContact O-N 3.23Å; L934-N937 PolarHBondContact O-N 2.83Å |
| 938 | Q | 81.8 | Confident | 82.3 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | trans | -129.7 | 78.4 | -176.8 | -69.4 | -70.1 | -22.3 | 0 | 0 | 114 | F933 L941 | F933-Q938 HydrophobicContact CD1-CB 4.36Å; F933-Q938 PolarHBondContact O-N 3.21Å; Q938-L941 HydrophobicContact CB-CD1 4.16Å | ||
| 939 | S | 79.2 | Confident | 82.1 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 44% | 0.441 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -78 | -32.5 | -173.5 | 58.8 | 0 | 0 | 0 | 0 | 116.1 | L941 A942 I943 | S939-L941 VanDerWaalsContact C-N 3.26Å; S939-L941 PolarHBondContact O-N 3.09Å; S939-A942 WeakPolarHBondContact O-CB 3.17Å; S939-A942 PolarHBondContact O-N 3.23Å; S939-I943 PolarHBondContact O-N 2.76Å |
| 940 | K | 81.1 | Confident | 81.4 | Confident | 165 Ų | 165 | 63 Ų | 63 | 72% | 0.717 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.2 | -35.5 | 178.1 | -69.5 | -178.6 | 178.7 | 179.8 | 0 | 112.5 | A942 I943 N944 | K940-A942 PolarHBondContact O-N 2.81Å; K940-I943 PolarHBondContact O-N 3.2Å; K940-N944 PolarHBondContact O-N 3.33Å; K940-N944 VanDerWaalsContact O-N 3.1Å |
| 941 | L | 83.5 | Confident | 81.1 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.5 | -29.4 | 176.4 | -66.1 | 179.4 | 0 | 0 | 0 | 111.8 | F933 Q938 S939 M945 | F933-L941 HydrophobicContact CD1-CB 4.47Å; F933-L941 HydrophobicContact CE1-CB 4.25Å; F933-L941 HydrophobicContact CE1-CD1 4.11Å; F933-L941 HydrophobicContact CZ-CB 4.49Å; Q938-L941 HydrophobicContact CB-CD1 4.16Å; S939-L941 VanDerWaalsContact C-N 3.26Å; S939-L941 PolarHBondContact O-N 3.09Å; L941-M945 WeakPolarHBondContact O-CB 3.42Å; L941-M945 PolarHBondContact O-N 3.36Å |
| 942 | A | 82.6 | Confident | 80.5 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.2 | -38.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S939 K940 M945 Y946 | S939-A942 WeakPolarHBondContact O-CB 3.17Å; S939-A942 PolarHBondContact O-N 3.23Å; K940-A942 PolarHBondContact O-N 2.81Å; A942-M945 WeakPolarHBondContact O-CB 3.46Å; A942-M945 PolarHBondContact O-N 2.72Å; A942-Y946 WeakPolarHBondContact O-CD2 3.33Å; A942-Y946 PolarHBondContact O-N 3.02Å; A942-Y946 VanDerWaalsContact O-N 3.09Å |
| 943 | I | 81.3 | Confident | 80 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.2 | -47.5 | 175.7 | -58 | 174.6 | 0 | 0 | 0 | 110.2 | S939 K940 M945 Y946 I947 L958 I962 | S939-I943 PolarHBondContact O-N 2.76Å; K940-I943 PolarHBondContact O-N 3.2Å; I943-M945 VanDerWaalsContact C-N 3.27Å; I943-M945 PolarHBondContact O-N 2.96Å; I943-Y946 PolarHBondContact O-N 3.5Å; I943-Y946 VanDerWaalsContact O-N 3.1Å; I943-I947 HydrophobicContact CG2-CD1 3.83Å; I943-I947 HydrophobicContact CG2-CG1 4.37Å; I943-I947 WeakPolarHBondContact O-CG1 3.47Å; I943-I947 PolarHBondContact O-N 3.19Å; I943-L958 HydrophobicContact CG1-CB 4.19Å; I943-I962 HydrophobicContact CD1-CD1 3.95Å |
| 944 | N | 81.5 | Confident | 79.6 | Confident | 90 Ų | 90 | 73.8 Ų | 73.8 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 176.7 | -76.6 | -8.6 | 0 | 0 | 0 | 111.7 | K940 I947 T948 | K940-N944 PolarHBondContact O-N 3.33Å; K940-N944 VanDerWaalsContact O-N 3.1Å; N944-I947 PolarHBondContact O-N 2.96Å; N944-T948 VanDerWaalsContact O-CB 3.29Å; N944-T948 WeakPolarHBondContact O-CB 3.17Å; N944-T948 PolarHBondContact O-N 3.01Å; N944-T948 PolarHBondContact O-OG1 3.19Å |
| 945 | M | 83.2 | Confident | 79.1 | Confident | 17 Ų | 17 | 69.5 Ų | 69.5 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55 | -52.5 | 171.1 | 176.4 | -168.2 | 75.6 | 0 | 0 | 109.9 | I921 Y926 A929 F933 L941 A942 I943 I947 T948 I949 | I921-M945 HydrophobicContact CG1-SD 4.48Å; Y926-M945 HydrophobicContact CD1-CG 4.36Å; Y926-M945 HydrophobicContact CD1-SD 3.95Å; A929-M945 HydrophobicContact CB-SD 4.24Å; F933-M945 HydrophobicContact CE2-SD 4.43Å; L941-M945 WeakPolarHBondContact O-CB 3.42Å; L941-M945 PolarHBondContact O-N 3.36Å; A942-M945 WeakPolarHBondContact O-CB 3.46Å; A942-M945 PolarHBondContact O-N 2.72Å; I943-M945 VanDerWaalsContact C-N 3.27Å; I943-M945 PolarHBondContact O-N 2.96Å; M945-I947 PolarHBondContact O-N 2.9Å; M945-T948 PolarHBondContact O-N 2.94Å; M945-I949 HydrophobicContact CG-CD1 3.46Å; M945-I949 VanDerWaalsContact CG-CD1 3.46Å; M945-I949 WeakPolarHBondContact O-CB 3.46Å; M945-I949 WeakPolarHBondContact O-CD1 3.15Å; M945-I949 WeakPolarHBondContact O-CG1 3.34Å; M945-I949 PolarHBondContact O-N 3.43Å; M945-I949 HydrophobicContact SD-CD1 4.49Å |
| 946 | Y | 84 | Confident | 78.8 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.1 | -37.2 | -179.9 | -74.3 | -59.3 | 0 | 0 | 0 | 114.5 | E930 A942 I943 I949 G950 M951 K954 L958 | E930-Y946 PolarHBondContact OE2-OH 3.23Å; A942-Y946 WeakPolarHBondContact O-CD2 3.33Å; A942-Y946 PolarHBondContact O-N 3.02Å; A942-Y946 VanDerWaalsContact O-N 3.09Å; I943-Y946 PolarHBondContact O-N 3.5Å; I943-Y946 VanDerWaalsContact O-N 3.1Å; Y946-I949 PolarHBondContact O-N 3.24Å; Y946-G950 PolarHBondContact O-N 3.46Å; Y946-M951 HydrophobicContact CD1-CB 3.88Å; Y946-M951 HydrophobicContact CD1-CG 4.44Å; Y946-M951 HydrophobicContact CD1-SD 3.85Å; Y946-M951 HydrophobicContact CE1-SD 3.91Å; Y946-M951 PolarHBondContact O-N 2.7Å; Y946-K954 HydrophobicContact CD1-CB 3.87Å; Y946-K954 HydrophobicContact CD1-CD 3.99Å; Y946-K954 HydrophobicContact CD2-CB 4.35Å; Y946-K954 HydrophobicContact CE1-CB 4.01Å; Y946-K954 HydrophobicContact CE1-CD 3.34Å; Y946-K954 HydrophobicContact CE1-CG 4.34Å; Y946-K954 HydrophobicContact CE2-CB 4.48Å; Y946-K954 HydrophobicContact CG-CB 4.04Å; Y946-L958 HydrophobicContact CD2-CD1 3.37Å; Y946-L958 HydrophobicContact CE2-CD1 3.31Å |
| 947 | I | 78.2 | Confident | 78.8 | Confident | 50 Ų | 50 | 74 Ų | 74 | 26% | 0.256 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 174.8 | -67.3 | 171.8 | 0 | 0 | 0 | 110.7 | I943 N944 M945 I949 G950 W952 A955 | I943-I947 HydrophobicContact CG2-CD1 3.83Å; I943-I947 HydrophobicContact CG2-CG1 4.37Å; I943-I947 WeakPolarHBondContact O-CG1 3.47Å; I943-I947 PolarHBondContact O-N 3.19Å; N944-I947 PolarHBondContact O-N 2.96Å; M945-I947 PolarHBondContact O-N 2.9Å; I947-I949 VanDerWaalsContact C-N 3.27Å; I947-I949 PolarHBondContact O-N 3.49Å; I947-G950 PolarHBondContact O-N 3.25Å; I947-W952 HydrophobicContact CG2-CH2 4.15Å; I947-W952 HydrophobicContact CG2-CZ3 3.91Å; I947-A955 HydrophobicContact CG1-CB 3.82Å |
| 948 | T | 77.8 | Confident | 78.8 | Confident | 123 Ų | 123 | 68.8 Ų | 68.8 | 76% | 0.755 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.3 | -31.4 | -179.1 | -47.3 | 0 | 0 | 0 | 0 | 111.7 | N944 M945 G950 | N944-T948 VanDerWaalsContact O-CB 3.29Å; N944-T948 WeakPolarHBondContact O-CB 3.17Å; N944-T948 PolarHBondContact O-N 3.01Å; N944-T948 PolarHBondContact O-OG1 3.19Å; M945-T948 PolarHBondContact O-N 2.94Å; T948-G950 VanDerWaalsContact C-N 3.3Å |
| 949 | I | 78 | Confident | 78.5 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -79.9 | -11.6 | 176.9 | -62.4 | 161.1 | 0 | 0 | 0 | 111.9 | Y926 M945 Y946 I947 M951 | Y926-I949 HydrophobicContact CD1-CD1 3.45Å; Y926-I949 VanDerWaalsContact CD1-CD1 3.45Å; Y926-I949 HydrophobicContact CD2-CD1 4.33Å; Y926-I949 HydrophobicContact CE1-CD1 3.25Å; Y926-I949 HydrophobicContact CE1-CG1 4.18Å; Y926-I949 HydrophobicContact CE2-CD1 4.14Å; Y926-I949 HydrophobicContact CE2-CG2 4.3Å; Y926-I949 HydrophobicContact CG-CD1 4Å; M945-I949 HydrophobicContact CG-CD1 3.46Å; M945-I949 VanDerWaalsContact CG-CD1 3.46Å; M945-I949 WeakPolarHBondContact O-CB 3.46Å; M945-I949 WeakPolarHBondContact O-CD1 3.15Å; M945-I949 WeakPolarHBondContact O-CG1 3.34Å; M945-I949 PolarHBondContact O-N 3.43Å; M945-I949 HydrophobicContact SD-CD1 4.49Å; Y946-I949 PolarHBondContact O-N 3.24Å; I947-I949 VanDerWaalsContact C-N 3.27Å; I947-I949 PolarHBondContact O-N 3.49Å; I949-M951 VanDerWaalsContact C-N 3.34Å; I949-M951 HydrophobicContact CG2-CE 4.03Å; I949-M951 HydrophobicContact CG2-CG 4Å; I949-M951 HydrophobicContact CG2-SD 4.28Å |
| 950 | G | 71.3 | Confident | 78.4 | Confident | 36 Ų | 36 | 64.6 Ų | 64.6 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 18.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | Y946 I947 T948 W952 | Y946-G950 PolarHBondContact O-N 3.46Å; I947-G950 PolarHBondContact O-N 3.25Å; T948-G950 VanDerWaalsContact C-N 3.3Å; G950-W952 VanDerWaalsContact C-N 3.28Å; G950-W952 VanDerWaalsContact O-CD1 3.23Å; G950-W952 PolarHBondContact O-N 3.12Å; G950-W952 VanDerWaalsContact O-N 3.13Å |
| 951 | M | 77.4 | Confident | 78.3 | Confident | 73 Ų | 73 | 61 Ų | 61 | 36% | 0.36 | 33% | 0.328 | S | S | . | . | trans | -86.5 | 69.7 | 173.7 | -71.8 | -174.7 | -177.8 | 0 | 0 | 110.2 | Y926 Y946 I949 E953 K954 A955 | Y926-M951 HydrophobicContact CD2-CE 4.23Å; Y926-M951 HydrophobicContact CE2-CE 4.32Å; Y946-M951 HydrophobicContact CD1-CB 3.88Å; Y946-M951 HydrophobicContact CD1-CG 4.44Å; Y946-M951 HydrophobicContact CD1-SD 3.85Å; Y946-M951 HydrophobicContact CE1-SD 3.91Å; Y946-M951 PolarHBondContact O-N 2.7Å; I949-M951 VanDerWaalsContact C-N 3.34Å; I949-M951 HydrophobicContact CG2-CE 4.03Å; I949-M951 HydrophobicContact CG2-CG 4Å; I949-M951 HydrophobicContact CG2-SD 4.28Å; M951-E953 VanDerWaalsContact C-N 3.27Å; M951-E953 PolarHBondContact O-N 3.24Å; M951-K954 HydrophobicContact CB-CB 4.42Å; M951-K954 PolarHBondContact O-N 3.48Å; M951-K954 HydrophobicContact SD-CD 4.29Å; M951-A955 WeakPolarHBondContact O-CB 3.19Å; M951-A955 PolarHBondContact O-N 3.48Å | ||
| 952 | W | 71.6 | Confident | 77.6 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 33% | 0.326 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -32 | -173.6 | -56.6 | 109.2 | 0 | 0 | 0 | 114 | I947 G950 H956 F979 | I947-W952 HydrophobicContact CG2-CH2 4.15Å; I947-W952 HydrophobicContact CG2-CZ3 3.91Å; G950-W952 VanDerWaalsContact C-N 3.28Å; G950-W952 VanDerWaalsContact O-CD1 3.23Å; G950-W952 PolarHBondContact O-N 3.12Å; G950-W952 VanDerWaalsContact O-N 3.13Å; W952-H956 WeakPolarHBondContact O-CA 3.38Å; W952-H956 WeakPolarHBondContact O-CB 3.4Å; W952-H956 PolarHBondContact O-N 3.41Å; W952-F979 HydrophobicContact CH2-CZ 4.18Å; W952-F979 HydrophobicContact CZ2-CZ 4.02Å |
| 953 | E | 75.1 | Confident | 77.1 | Confident | 158 Ų | 158 | 66.1 Ų | 66.1 | 74% | 0.738 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.3 | -45.2 | 178.6 | -66.6 | 179.3 | 172.4 | 0 | 0 | 112 | M951 H956 Q957 | M951-E953 VanDerWaalsContact C-N 3.27Å; M951-E953 PolarHBondContact O-N 3.24Å; E953-H956 CarbonylContact O-C 3.55Å; E953-H956 PolarHBondContact O-N 3.4Å; E953-Q957 WeakPolarHBondContact O-CB 3.44Å; E953-Q957 VanDerWaalsContact O-CG 3.3Å; E953-Q957 WeakPolarHBondContact O-CG 3.44Å; E953-Q957 PolarHBondContact O-N 2.8Å |
| 954 | K | 77.6 | Confident | 76.8 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 175.1 | -73.7 | -168.4 | 171.6 | -168.2 | 0 | 111.6 | N927 Y946 M951 H956 Q957 L958 | N927-K954 PolarHBondContact OD1-NZ 3.3Å; Y946-K954 HydrophobicContact CD1-CB 3.87Å; Y946-K954 HydrophobicContact CD1-CD 3.99Å; Y946-K954 HydrophobicContact CD2-CB 4.35Å; Y946-K954 HydrophobicContact CE1-CB 4.01Å; Y946-K954 HydrophobicContact CE1-CD 3.34Å; Y946-K954 HydrophobicContact CE1-CG 4.34Å; Y946-K954 HydrophobicContact CE2-CB 4.48Å; Y946-K954 HydrophobicContact CG-CB 4.04Å; M951-K954 HydrophobicContact CB-CB 4.42Å; M951-K954 PolarHBondContact O-N 3.48Å; M951-K954 HydrophobicContact SD-CD 4.29Å; K954-H956 VanDerWaalsContact C-N 3.31Å; K954-Q957 PolarHBondContact O-N 3.17Å; K954-L958 WeakPolarHBondContact O-CB 3.38Å; K954-L958 PolarHBondContact O-N 2.9Å |
| 955 | A | 74.4 | Confident | 76.5 | Confident | 6 Ų | 6 | 70 Ų | 70 | 5% | 0.05 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I947 M951 A959 | I947-A955 HydrophobicContact CG1-CB 3.82Å; M951-A955 WeakPolarHBondContact O-CB 3.19Å; M951-A955 PolarHBondContact O-N 3.48Å; A955-A959 WeakPolarHBondContact O-CA 3.45Å; A955-A959 WeakPolarHBondContact O-CB 3.4Å; A955-A959 PolarHBondContact O-N 3.16Å |
| 956 | H | 74.9 | Confident | 76 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 35% | 0.347 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.6 | -33.9 | 177.3 | -176.6 | 84.5 | 0 | 0 | 0 | 112 | W952 E953 K954 S960 Y972 | W952-H956 WeakPolarHBondContact O-CA 3.38Å; W952-H956 WeakPolarHBondContact O-CB 3.4Å; W952-H956 PolarHBondContact O-N 3.41Å; E953-H956 CarbonylContact O-C 3.55Å; E953-H956 PolarHBondContact O-N 3.4Å; K954-H956 VanDerWaalsContact C-N 3.31Å; H956-S960 PolarHBondContact NE2-OG 3.27Å; H956-S960 WeakPolarHBondContact O-CA 3.4Å; H956-S960 WeakPolarHBondContact O-CB 3.4Å; H956-S960 PolarHBondContact O-N 3.38Å; H956-S960 PolarHBondContact O-OG 2.96Å; H956-Y972 PolarHBondContact ND1-OH 2.8Å |
| 957 | Q | 80.7 | Confident | 75.6 | Confident | 131 Ų | 131 | 80.8 Ų | 80.8 | 61% | 0.612 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69.5 | -49.2 | 174.3 | -75.4 | 172.5 | 3.5 | 0 | 0 | 111.8 | E953 K954 S960 S961 | E953-Q957 WeakPolarHBondContact O-CB 3.44Å; E953-Q957 VanDerWaalsContact O-CG 3.3Å; E953-Q957 WeakPolarHBondContact O-CG 3.44Å; E953-Q957 PolarHBondContact O-N 2.8Å; K954-Q957 PolarHBondContact O-N 3.17Å; Q957-S960 PolarHBondContact O-N 3.04Å; Q957-S961 PolarHBondContact O-N 3.22Å; Q957-S961 VanDerWaalsContact O-N 3.08Å; Q957-S961 PolarHBondContact O-OG 3.28Å; Q957-S961 VanDerWaalsContact O-OG 3.05Å |
| 958 | L | 79.5 | Confident | 75.5 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 21% | 0.209 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 174.1 | -85.3 | 159.1 | 0 | 0 | 0 | 111.3 | I943 Y946 K954 S961 I962 | I943-L958 HydrophobicContact CG1-CB 4.19Å; Y946-L958 HydrophobicContact CD2-CD1 3.37Å; Y946-L958 HydrophobicContact CE2-CD1 3.31Å; K954-L958 WeakPolarHBondContact O-CB 3.38Å; K954-L958 PolarHBondContact O-N 2.9Å; L958-S961 PolarHBondContact O-OG 2.91Å; L958-I962 WeakPolarHBondContact O-CB 3.47Å; L958-I962 VanDerWaalsContact O-CD1 3.27Å; L958-I962 WeakPolarHBondContact O-CD1 3.26Å; L958-I962 WeakPolarHBondContact O-CG1 3.37Å; L958-I962 PolarHBondContact O-N 3.39Å |
| 959 | A | 75.7 | Confident | 75.4 | Confident | 8 Ų | 8 | 75.9 Ų | 75.9 | 7% | 0.066 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.3 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A955 S961 I962 M963 | A955-A959 WeakPolarHBondContact O-CA 3.45Å; A955-A959 WeakPolarHBondContact O-CB 3.4Å; A955-A959 PolarHBondContact O-N 3.16Å; A959-S961 VanDerWaalsContact C-N 3.26Å; A959-S961 PolarHBondContact O-N 3.35Å; A959-I962 CarbonylContact O-C 3.53Å; A959-I962 PolarHBondContact O-N 3.49Å; A959-M963 HydrophobicContact CB-SD 4.42Å; A959-M963 WeakPolarHBondContact O-CA 3.45Å; A959-M963 WeakPolarHBondContact O-CB 3.31Å; A959-M963 PolarHBondContact O-N 2.92Å |
| 960 | S | 77 | Confident | 75.5 | Confident | 63 Ų | 63 | 78.2 Ų | 78.2 | 44% | 0.441 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.5 | -25.3 | 178.8 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | H956 Q957 I962 | H956-S960 PolarHBondContact NE2-OG 3.27Å; H956-S960 WeakPolarHBondContact O-CA 3.4Å; H956-S960 WeakPolarHBondContact O-CB 3.4Å; H956-S960 PolarHBondContact O-N 3.38Å; H956-S960 PolarHBondContact O-OG 2.96Å; Q957-S960 PolarHBondContact O-N 3.04Å; S960-I962 VanDerWaalsContact C-N 3.3Å |
| 961 | S | 78.4 | Confident | 75.7 | Confident | 90 Ų | 90 | 79.2 Ų | 79.2 | 63% | 0.629 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -12 | 171.7 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | Q957 L958 A959 | Q957-S961 PolarHBondContact O-N 3.22Å; Q957-S961 VanDerWaalsContact O-N 3.08Å; Q957-S961 PolarHBondContact O-OG 3.28Å; Q957-S961 VanDerWaalsContact O-OG 3.05Å; L958-S961 PolarHBondContact O-OG 2.91Å; A959-S961 VanDerWaalsContact C-N 3.26Å; A959-S961 PolarHBondContact O-N 3.35Å |
| 962 | I | 69.3 | Low | 75.9 | Confident | 93 Ų | 93 | 78.1 Ų | 78.1 | 48% | 0.477 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -23.7 | -171.4 | -58.9 | 169.7 | 0 | 0 | 0 | 113.6 | I943 L958 A959 S960 | I943-I962 HydrophobicContact CD1-CD1 3.95Å; L958-I962 WeakPolarHBondContact O-CB 3.47Å; L958-I962 VanDerWaalsContact O-CD1 3.27Å; L958-I962 WeakPolarHBondContact O-CD1 3.26Å; L958-I962 WeakPolarHBondContact O-CG1 3.37Å; L958-I962 PolarHBondContact O-N 3.39Å; A959-I962 CarbonylContact O-C 3.53Å; A959-I962 PolarHBondContact O-N 3.49Å; S960-I962 VanDerWaalsContact C-N 3.3Å |
| 963 | M | 71.6 | Confident | 76.4 | Confident | 100 Ų | 100 | 76.7 Ų | 76.7 | 49% | 0.493 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -132.3 | 166.3 | -169.4 | -58.4 | -176.6 | 173.5 | 0 | 0 | 115.3 | A959 | A959-M963 HydrophobicContact CB-SD 4.42Å; A959-M963 WeakPolarHBondContact O-CA 3.45Å; A959-M963 WeakPolarHBondContact O-CB 3.31Å; A959-M963 PolarHBondContact O-N 2.92Å |
| 964 | G | 76.4 | Confident | 76.8 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | trans | -104.7 | 161.1 | -177 | 0 | 0 | 0 | 0 | 0 | 118 | T966 E967 L968 | G964-T966 PolarHBondContact O-N 2.84Å; G964-E967 PolarHBondContact O-N 2.71Å; G964-L968 WeakPolarHBondContact O-CB 3.44Å; G964-L968 PolarHBondContact O-N 2.75Å; G964-L968 VanDerWaalsContact O-N 3.1Å | ||
| 965 | H | 74.7 | Confident | 76.8 | Confident | 148 Ų | 148 | 70.2 Ų | 70.2 | 69% | 0.685 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.7 | -36.7 | -167.3 | -165.9 | -55.8 | 0 | 0 | 0 | 116 | L968 T969 | H965-L968 WeakPolarHBondContact O-CB 3.49Å; H965-L968 PolarHBondContact O-N 3.03Å; H965-T969 PolarHBondContact ND1-OG1 3.47Å; H965-T969 VanDerWaalsContact ND1-OG1 3.13Å; H965-T969 PolarHBondContact O-N 3.16Å; H965-T969 PolarHBondContact O-OG1 2.83Å |
| 966 | T | 72.7 | Confident | 77.1 | Confident | 110 Ų | 110 | 70 Ų | 70 | 68% | 0.675 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -69.1 | -42 | 178.5 | 38.7 | 0 | 0 | 0 | 0 | 112 | G964 L968 T969 N970 | G964-T966 PolarHBondContact O-N 2.84Å; T966-L968 VanDerWaalsContact C-N 3.27Å; T966-L968 PolarHBondContact O-N 2.84Å; T966-T969 PolarHBondContact O-N 2.85Å; T966-N970 PolarHBondContact O-N 2.76Å |
| 967 | E | 75.6 | Confident | 77.5 | Confident | 135 Ų | 135 | 70.3 Ų | 70.3 | 63% | 0.631 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.8 | -38.6 | 173.5 | -68.1 | -179.5 | 168.4 | 0 | 0 | 110.6 | G964 M971 | G964-E967 PolarHBondContact O-N 2.71Å; E967-M971 VanDerWaalsContact O-CB 3.29Å; E967-M971 WeakPolarHBondContact O-CB 3.15Å; E967-M971 PolarHBondContact O-N 2.86Å |
| 968 | L | 74.9 | Confident | 77.6 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 176.4 | -170 | 74.5 | 0 | 0 | 0 | 113.5 | G964 H965 T966 M971 Y972 | G964-L968 WeakPolarHBondContact O-CB 3.44Å; G964-L968 PolarHBondContact O-N 2.75Å; G964-L968 VanDerWaalsContact O-N 3.1Å; H965-L968 WeakPolarHBondContact O-CB 3.49Å; H965-L968 PolarHBondContact O-N 3.03Å; T966-L968 VanDerWaalsContact C-N 3.27Å; T966-L968 PolarHBondContact O-N 2.84Å; L968-M971 HydrophobicContact CD1-CE 3.98Å; L968-M971 PolarHBondContact O-N 2.97Å; L968-Y972 HydrophobicContact CD1-CE2 3.85Å; L968-Y972 HydrophobicContact CD2-CE2 3.91Å; L968-Y972 HydrophobicContact CG-CD2 4.09Å; L968-Y972 HydrophobicContact CG-CE2 3.52Å; L968-Y972 VanDerWaalsContact O-CD2 3.31Å; L968-Y972 WeakPolarHBondContact O-CD2 3.41Å; L968-Y972 PolarHBondContact O-N 2.98Å |
| 969 | T | 75.5 | Confident | 77.8 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 28% | 0.276 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.9 | -40.5 | -177.4 | -35 | 0 | 0 | 0 | 0 | 111.4 | H965 T966 Y972 L973 | H965-T969 PolarHBondContact ND1-OG1 3.47Å; H965-T969 VanDerWaalsContact ND1-OG1 3.13Å; H965-T969 PolarHBondContact O-N 3.16Å; H965-T969 PolarHBondContact O-OG1 2.83Å; T966-T969 PolarHBondContact O-N 2.85Å; T969-Y972 PolarHBondContact O-N 2.86Å; T969-L973 PolarHBondContact O-N 3.46Å |
| 970 | N | 81.5 | Confident | 78.2 | Confident | 110 Ų | 110 | 71.4 Ų | 71.4 | 59% | 0.588 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | 174.6 | -74.5 | -16.3 | 0 | 0 | 0 | 111.4 | T966 Y972 L973 S974 | T966-N970 PolarHBondContact O-N 2.76Å; N970-Y972 VanDerWaalsContact C-N 3.28Å; N970-Y972 PolarHBondContact O-N 2.82Å; N970-L973 PolarHBondContact O-N 2.74Å; N970-S974 WeakPolarHBondContact O-CB 3.26Å; N970-S974 PolarHBondContact O-N 3.19Å; N970-S974 PolarHBondContact O-OG 2.76Å; N970-S974 VanDerWaalsContact O-OG 3.13Å |
| 971 | M | 75.2 | Confident | 78.4 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 28% | 0.276 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 173.5 | -171.2 | -163.2 | 75.6 | 0 | 0 | 111.6 | E967 L968 S974 H975 | E967-M971 VanDerWaalsContact O-CB 3.29Å; E967-M971 WeakPolarHBondContact O-CB 3.15Å; E967-M971 PolarHBondContact O-N 2.86Å; L968-M971 HydrophobicContact CD1-CE 3.98Å; L968-M971 PolarHBondContact O-N 2.97Å; M971-S974 WeakPolarHBondContact CA-OG 3.26Å; M971-S974 PolarHBondContact O-OG 3.39Å; M971-H975 WeakPolarHBondContact O-CB 3.49Å; M971-H975 PolarHBondContact O-CD2 2.69Å; M971-H975 PolarHBondContact O-N 2.93Å |
| 972 | Y | 81.3 | Confident | 78.6 | Confident | 50 Ų | 50 | 78.3 Ų | 78.3 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -73.1 | -40.1 | 176.7 | -72.5 | -36.9 | 0 | 0 | 0 | 114.3 | H956 L968 T969 N970 H975 A976 L991 | H956-Y972 PolarHBondContact ND1-OH 2.8Å; L968-Y972 HydrophobicContact CD1-CE2 3.85Å; L968-Y972 HydrophobicContact CD2-CE2 3.91Å; L968-Y972 HydrophobicContact CG-CD2 4.09Å; L968-Y972 HydrophobicContact CG-CE2 3.52Å; L968-Y972 VanDerWaalsContact O-CD2 3.31Å; L968-Y972 WeakPolarHBondContact O-CD2 3.41Å; L968-Y972 PolarHBondContact O-N 2.98Å; T969-Y972 PolarHBondContact O-N 2.86Å; N970-Y972 VanDerWaalsContact C-N 3.28Å; N970-Y972 PolarHBondContact O-N 2.82Å; Y972-H975 PolarHBondContact O-N 2.85Å; Y972-A976 WeakPolarHBondContact O-CB 3.26Å; Y972-A976 PolarHBondContact O-N 2.83Å; Y972-L991 HydrophobicContact CD1-CD2 3.47Å; Y972-L991 VanDerWaalsContact CD1-CD2 3.47Å; Y972-L991 HydrophobicContact CE1-CD2 4.24Å; Y972-L991 HydrophobicContact CG-CD2 3.85Å |
| 973 | L | 82.6 | Confident | 78.9 | Confident | 57 Ų | 57 | 75.3 Ų | 75.3 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 173.6 | -81.9 | 169.3 | 0 | 0 | 0 | 111.8 | T969 N970 H975 A976 E977 I995 | T969-L973 PolarHBondContact O-N 3.46Å; N970-L973 PolarHBondContact O-N 2.74Å; L973-H975 VanDerWaalsContact C-N 3.28Å; L973-H975 PolarHBondContact O-N 3.38Å; L973-A976 PolarHBondContact O-N 3.03Å; L973-A976 VanDerWaalsContact O-N 3.12Å; L973-E977 PolarHBondContact O-N 2.8Å; L973-I995 HydrophobicContact CD2-CD1 3.5Å; L973-I995 HydrophobicContact CG-CD1 3.67Å |
| 974 | S | 83.5 | Confident | 79.4 | Confident | 50 Ų | 50 | 73.4 Ų | 73.4 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 177.5 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | N970 M971 E978 | N970-S974 WeakPolarHBondContact O-CB 3.26Å; N970-S974 PolarHBondContact O-N 3.19Å; N970-S974 PolarHBondContact O-OG 2.76Å; N970-S974 VanDerWaalsContact O-OG 3.13Å; M971-S974 WeakPolarHBondContact CA-OG 3.26Å; M971-S974 PolarHBondContact O-OG 3.39Å; S974-E978 VanDerWaalsContact O-CB 3.31Å; S974-E978 WeakPolarHBondContact O-CB 3.32Å; S974-E978 WeakPolarHBondContact O-CG 3.31Å; S974-E978 PolarHBondContact O-N 2.87Å |
| 975 | H | 77.2 | Confident | 79.7 | Confident | 46 Ų | 46 | 74.5 Ų | 74.5 | 21% | 0.213 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.2 | -33.8 | 175.1 | -70.5 | -12.6 | 0 | 0 | 0 | 112.7 | M971 Y972 L973 E978 F979 L991 | M971-H975 WeakPolarHBondContact O-CB 3.49Å; M971-H975 PolarHBondContact O-CD2 2.69Å; M971-H975 PolarHBondContact O-N 2.93Å; Y972-H975 PolarHBondContact O-N 2.85Å; L973-H975 VanDerWaalsContact C-N 3.28Å; L973-H975 PolarHBondContact O-N 3.38Å; H975-E978 IonicContact CE1-OE2 3.67Å; H975-E978 IonicContact CG-OE2 2.66Å; H975-E978 IonicContact ND1-OE2 3.36Å; H975-E978 PolarHBondContact ND1-OE2 3.08Å; H975-E978 PolarHBondContact O-N 3Å; H975-F979 HydrophobicContact CB-CD2 4.34Å; H975-F979 HydrophobicContact CB-CE2 4.15Å; H975-F979 VanDerWaalsContact O-CB 3.31Å; H975-F979 WeakPolarHBondContact O-CB 3.28Å; H975-F979 WeakPolarHBondContact O-CD2 3.36Å; H975-F979 VanDerWaalsContact O-CG 3.27Å; H975-F979 WeakPolarHBondContact O-CG 3.35Å; H975-F979 PolarHBondContact O-N 3.15Å; H975-L991 HydrophobicContact CB-CD1 4.05Å |
| 976 | A | 80.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y972 L973 F979 E980 A988 L991 Y992 | Y972-A976 WeakPolarHBondContact O-CB 3.26Å; Y972-A976 PolarHBondContact O-N 2.83Å; L973-A976 PolarHBondContact O-N 3.03Å; L973-A976 VanDerWaalsContact O-N 3.12Å; A976-F979 PolarHBondContact O-N 3.09Å; A976-E980 PolarHBondContact O-N 3.37Å; A976-A988 WeakPolarHBondContact O-CB 3.44Å; A976-L991 HydrophobicContact CB-CB 3.58Å; A976-L991 HydrophobicContact CB-CD1 3.86Å; A976-L991 HydrophobicContact CB-CG 4.37Å; A976-Y992 HydrophobicContact CB-CD1 4.5Å; A976-Y992 HydrophobicContact CB-CE1 4.19Å |
| 977 | E | 84.2 | Confident | 80.3 | Confident | 82 Ų | 82 | 70.4 Ų | 70.4 | 38% | 0.383 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.2 | -37.3 | 175.5 | -68.9 | -176.4 | -179.5 | 0 | 0 | 112.2 | L973 F979 E980 K981 | L973-E977 PolarHBondContact O-N 2.8Å; E977-F979 VanDerWaalsContact C-N 3.3Å; E977-E980 PolarHBondContact O-N 3.11Å; E977-K981 WeakPolarHBondContact O-CB 3.19Å; E977-K981 VanDerWaalsContact O-CG 3.31Å; E977-K981 WeakPolarHBondContact O-CG 3.27Å; E977-K981 PolarHBondContact O-N 2.8Å |
| 978 | E | 82.3 | Confident | 80.7 | Confident | 95 Ų | 95 | 64 Ų | 64 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 169.9 | -79.1 | 171.8 | 168.8 | 0 | 0 | 109.9 | S974 H975 K981 I982 | S974-E978 VanDerWaalsContact O-CB 3.31Å; S974-E978 WeakPolarHBondContact O-CB 3.32Å; S974-E978 WeakPolarHBondContact O-CG 3.31Å; S974-E978 PolarHBondContact O-N 2.87Å; H975-E978 IonicContact CE1-OE2 3.67Å; H975-E978 IonicContact CG-OE2 2.66Å; H975-E978 IonicContact ND1-OE2 3.36Å; H975-E978 PolarHBondContact ND1-OE2 3.08Å; H975-E978 PolarHBondContact O-N 3Å; E978-K981 PolarHBondContact O-N 2.96Å; E978-I982 HydrophobicContact CB-CD1 4.21Å; E978-I982 WeakPolarHBondContact O-CB 3.42Å; E978-I982 VanDerWaalsContact O-CD1 3.26Å; E978-I982 WeakPolarHBondContact O-CD1 3.33Å; E978-I982 WeakPolarHBondContact O-CG1 3.28Å; E978-I982 PolarHBondContact O-N 3.03Å |
| 979 | F | 82.6 | Confident | 81.1 | Confident | 33 Ų | 33 | 63.7 Ų | 63.7 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 176.7 | -75.2 | -49.8 | 0 | 0 | 0 | 112.6 | W952 H975 A976 E977 I982 G983 N984 E987 A988 L991 | W952-F979 HydrophobicContact CH2-CZ 4.18Å; W952-F979 HydrophobicContact CZ2-CZ 4.02Å; H975-F979 HydrophobicContact CB-CD2 4.34Å; H975-F979 HydrophobicContact CB-CE2 4.15Å; H975-F979 VanDerWaalsContact O-CB 3.31Å; H975-F979 WeakPolarHBondContact O-CB 3.28Å; H975-F979 WeakPolarHBondContact O-CD2 3.36Å; H975-F979 VanDerWaalsContact O-CG 3.27Å; H975-F979 WeakPolarHBondContact O-CG 3.35Å; H975-F979 PolarHBondContact O-N 3.15Å; A976-F979 PolarHBondContact O-N 3.09Å; E977-F979 VanDerWaalsContact C-N 3.3Å; F979-I982 PolarHBondContact O-N 2.86Å; F979-G983 CarbonylContact O-C 3.53Å; F979-G983 PolarHBondContact O-N 3.39Å; F979-N984 HydrophobicContact CB-CB 4.11Å; F979-N984 HydrophobicContact CD1-CB 3.69Å; F979-N984 HydrophobicContact CG-CB 4.24Å; F979-N984 CarbonylContact O-C 3.5Å; F979-N984 WeakPolarHBondContact O-CA 2.99Å; F979-N984 PolarHBondContact O-N 2.81Å; F979-E987 HydrophobicContact CB-CB 4.48Å; F979-E987 HydrophobicContact CD1-CB 4.25Å; F979-E987 HydrophobicContact CD2-CB 3.69Å; F979-E987 HydrophobicContact CE1-CB 4.4Å; F979-E987 HydrophobicContact CE2-CB 3.89Å; F979-E987 HydrophobicContact CG-CB 3.9Å; F979-E987 HydrophobicContact CZ-CB 4.24Å; F979-A988 HydrophobicContact CB-CB 4.01Å; F979-L991 HydrophobicContact CD2-CD1 3.7Å; F979-L991 HydrophobicContact CE2-CD1 4Å |
| 980 | E | 84.7 | Confident | 81.5 | Confident | 74 Ų | 74 | 68.8 Ų | 68.8 | 35% | 0.346 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 172.6 | -170.7 | 177.6 | 164.9 | 0 | 0 | 111.4 | A976 E977 G983 A988 Y992 M1004 | A976-E980 PolarHBondContact O-N 3.37Å; E977-E980 PolarHBondContact O-N 3.11Å; E980-G983 PolarHBondContact O-N 2.89Å; E980-A988 HydrophobicContact CB-CB 4.43Å; E980-Y992 PolarHBondContact OE2-OH 3.02Å; E980-M1004 HydrophobicContact CG-CG 4.29Å; E980-M1004 HydrophobicContact CG-SD 4.47Å |
| 981 | K | 82 | Confident | 81.4 | Confident | 172 Ų | 172 | 64.5 Ų | 64.5 | 75% | 0.748 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.4 | -36.3 | 176.2 | -72.9 | 170.9 | -176 | 162.8 | 0 | 113.5 | E977 E978 G983 | E977-K981 WeakPolarHBondContact O-CB 3.19Å; E977-K981 VanDerWaalsContact O-CG 3.31Å; E977-K981 WeakPolarHBondContact O-CG 3.27Å; E977-K981 PolarHBondContact O-N 2.8Å; E978-K981 PolarHBondContact O-N 2.96Å; K981-G983 PolarHBondContact O-N 3.4Å |
| 982 | I | 81.8 | Confident | 81.9 | Confident | 126 Ų | 126 | 62.1 Ų | 62.1 | 65% | 0.646 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71.9 | -18.3 | 175 | -67.6 | 161.8 | 0 | 0 | 0 | 110.4 | E978 F979 | E978-I982 HydrophobicContact CB-CD1 4.21Å; E978-I982 WeakPolarHBondContact O-CB 3.42Å; E978-I982 VanDerWaalsContact O-CD1 3.26Å; E978-I982 WeakPolarHBondContact O-CD1 3.33Å; E978-I982 WeakPolarHBondContact O-CG1 3.28Å; E978-I982 PolarHBondContact O-N 3.03Å; F979-I982 PolarHBondContact O-N 2.86Å |
| 983 | G | 76.7 | Confident | 82 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 32% | 0.32 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 12.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | F979 E980 K981 Y985 | F979-G983 CarbonylContact O-C 3.53Å; F979-G983 PolarHBondContact O-N 3.39Å; E980-G983 PolarHBondContact O-N 2.89Å; K981-G983 PolarHBondContact O-N 3.4Å; G983-Y985 VanDerWaalsContact C-N 3.31Å; G983-Y985 VanDerWaalsContact O-CD2 3.25Å; G983-Y985 WeakPolarHBondContact O-CD2 3.14Å; G983-Y985 WeakPolarHBondContact O-CE2 3.33Å; G983-Y985 PolarHBondContact O-N 3.43Å |
| 984 | N | 80.7 | Confident | 81.8 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | trans | -86.7 | 67.9 | 173.5 | -167.6 | 2.6 | 0 | 0 | 0 | 111.6 | F979 K986 E987 A988 | F979-N984 HydrophobicContact CB-CB 4.11Å; F979-N984 HydrophobicContact CD1-CB 3.69Å; F979-N984 HydrophobicContact CG-CB 4.24Å; F979-N984 CarbonylContact O-C 3.5Å; F979-N984 WeakPolarHBondContact O-CA 2.99Å; F979-N984 PolarHBondContact O-N 2.81Å; N984-K986 PolarHBondContact O-N 3.49Å; N984-K986 VanDerWaalsContact O-N 3.11Å; N984-E987 VanDerWaalsContact ND2-CG 3.27Å; N984-E987 WeakPolarHBondContact ND2-CG 3.4Å; N984-E987 PolarHBondContact O-N 2.73Å; N984-A988 PolarHBondContact O-N 3.04Å; N984-A988 VanDerWaalsContact O-N 3.12Å | ||
| 985 | Y | 84 | Confident | 81.6 | Confident | 59 Ų | 59 | 64.8 Ų | 64.8 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -22.5 | -174.5 | -51.7 | -64 | 0 | 0 | 0 | 114.5 | G983 E989 M1004 Y1005 T1008 | G983-Y985 VanDerWaalsContact C-N 3.31Å; G983-Y985 VanDerWaalsContact O-CD2 3.25Å; G983-Y985 WeakPolarHBondContact O-CD2 3.14Å; G983-Y985 WeakPolarHBondContact O-CE2 3.33Å; G983-Y985 PolarHBondContact O-N 3.43Å; Y985-E989 WeakPolarHBondContact O-CB 3.48Å; Y985-E989 PolarHBondContact O-N 3.04Å; Y985-M1004 HydrophobicContact CD1-CG 3.9Å; Y985-M1004 HydrophobicContact CD1-SD 3.78Å; Y985-M1004 HydrophobicContact CG-SD 4.34Å; Y985-M1004 WeakPolarHBondContact O-CE 3.2Å; Y985-Y1005 PolarHBondContact O-OH 2.95Å; Y985-T1008 HydrophobicContact CD1-CG2 4.33Å; Y985-T1008 HydrophobicContact CE1-CG2 3.62Å; Y985-T1008 HydrophobicContact CE2-CG2 4.3Å |
| 986 | K | 81.9 | Confident | 81.6 | Confident | 135 Ų | 135 | 71.2 Ų | 71.2 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -75.7 | -42.4 | 179.7 | -70.5 | -175.1 | 178.9 | 179 | 0 | 112.9 | N984 A988 E989 R990 | N984-K986 PolarHBondContact O-N 3.49Å; N984-K986 VanDerWaalsContact O-N 3.11Å; K986-A988 VanDerWaalsContact C-N 3.33Å; K986-E989 PolarHBondContact O-N 3.2Å; K986-R990 WeakPolarHBondContact O-CG 3.45Å; K986-R990 PolarHBondContact O-N 3.25Å |
| 987 | E | 78 | Confident | 81.7 | Confident | 37 Ų | 37 | 75.5 Ų | 75.5 | 17% | 0.173 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -72.1 | -34.9 | 174.4 | -63.9 | -55.7 | 138 | 0 | 0 | 110 | F979 N984 R990 L991 | F979-E987 HydrophobicContact CB-CB 4.48Å; F979-E987 HydrophobicContact CD1-CB 4.25Å; F979-E987 HydrophobicContact CD2-CB 3.69Å; F979-E987 HydrophobicContact CE1-CB 4.4Å; F979-E987 HydrophobicContact CE2-CB 3.89Å; F979-E987 HydrophobicContact CG-CB 3.9Å; F979-E987 HydrophobicContact CZ-CB 4.24Å; N984-E987 VanDerWaalsContact ND2-CG 3.27Å; N984-E987 WeakPolarHBondContact ND2-CG 3.4Å; N984-E987 PolarHBondContact O-N 2.73Å; E987-R990 PolarHBondContact O-N 2.98Å; E987-R990 IonicContact OE1-CZ 3.65Å; E987-R990 IonicContact OE1-NH1 3.83Å; E987-R990 PolarHBondContact OE1-NH1 3.36Å; E987-R990 IonicContact OE2-NH1 2.73Å; E987-L991 WeakPolarHBondContact O-CB 3.28Å; E987-L991 VanDerWaalsContact O-CG 3.24Å; E987-L991 WeakPolarHBondContact O-CG 3.29Å; E987-L991 PolarHBondContact O-N 3.28Å |
| 988 | A | 82.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A976 F979 E980 N984 K986 R990 L991 Y992 M1004 | A976-A988 WeakPolarHBondContact O-CB 3.44Å; F979-A988 HydrophobicContact CB-CB 4.01Å; E980-A988 HydrophobicContact CB-CB 4.43Å; N984-A988 PolarHBondContact O-N 3.04Å; N984-A988 VanDerWaalsContact O-N 3.12Å; K986-A988 VanDerWaalsContact C-N 3.33Å; A988-R990 PolarHBondContact O-N 3.43Å; A988-L991 PolarHBondContact O-N 3.34Å; A988-Y992 HydrophobicContact CB-CD2 4.29Å; A988-Y992 HydrophobicContact CB-CE2 4.1Å; A988-Y992 WeakPolarHBondContact O-CB 3.23Å; A988-Y992 WeakPolarHBondContact O-CD2 3.38Å; A988-Y992 PolarHBondContact O-N 2.63Å; A988-M1004 HydrophobicContact CB-SD 4.08Å |
| 989 | E | 85 | Confident | 81.6 | Confident | 20 Ų | 20 | 73.9 Ų | 73.9 | 9% | 0.093 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 174.3 | 177 | -171.5 | -167.1 | 0 | 0 | 111.5 | Y985 K986 L991 Y992 L993 M1004 Y1005 R1016 | Y985-E989 WeakPolarHBondContact O-CB 3.48Å; Y985-E989 PolarHBondContact O-N 3.04Å; K986-E989 PolarHBondContact O-N 3.2Å; E989-L991 VanDerWaalsContact C-N 3.3Å; E989-L991 PolarHBondContact O-N 2.94Å; E989-Y992 PolarHBondContact O-N 2.85Å; E989-L993 HydrophobicContact CG-CD1 3.67Å; E989-L993 HydrophobicContact CG-CG 4.08Å; E989-L993 VanDerWaalsContact O-CB 3.3Å; E989-L993 WeakPolarHBondContact O-CB 3.32Å; E989-L993 VanDerWaalsContact O-CG 3.23Å; E989-L993 WeakPolarHBondContact O-CG 3.22Å; E989-L993 PolarHBondContact O-N 3.26Å; E989-M1004 HydrophobicContact CB-CE 4.42Å; E989-Y1005 HydrophobicContact CB-CE2 4.44Å; E989-Y1005 HydrophobicContact CG-CE2 4.41Å; E989-Y1005 PolarHBondContact OE2-OH 3.33Å; E989-R1016 IonicContact OE1-CZ 3.39Å; E989-R1016 IonicContact OE1-NE 3.99Å; E989-R1016 IonicContact OE1-NH2 2.79Å; E989-R1016 PolarHBondContact OE1-NH2 3.06Å; E989-R1016 IonicContact OE2-CZ 2.88Å; E989-R1016 IonicContact OE2-NH2 2.7Å; E989-R1016 PolarHBondContact OE2-NH2 3.1Å |
| 990 | R | 82.9 | Confident | 81.7 | Confident | 152 Ų | 152 | 78.6 Ų | 78.6 | 57% | 0.574 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.8 | -44.3 | 177.1 | -80.5 | 176.7 | 170.7 | 173.2 | -7.7 | 111.5 | K986 E987 A988 T994 | K986-R990 WeakPolarHBondContact O-CG 3.45Å; K986-R990 PolarHBondContact O-N 3.25Å; E987-R990 PolarHBondContact O-N 2.98Å; E987-R990 IonicContact OE1-CZ 3.65Å; E987-R990 IonicContact OE1-NH1 3.83Å; E987-R990 PolarHBondContact OE1-NH1 3.36Å; E987-R990 IonicContact OE2-NH1 2.73Å; A988-R990 PolarHBondContact O-N 3.43Å; R990-T994 VanDerWaalsContact O-CG2 3.31Å; R990-T994 WeakPolarHBondContact O-CG2 3.3Å; R990-T994 PolarHBondContact O-N 3.06Å; R990-T994 PolarHBondContact O-OG1 2.6Å; R990-T994 VanDerWaalsContact O-OG1 3.11Å |
| 991 | L | 80 | Confident | 81.6 | Confident | 20 Ų | 20 | 75 Ų | 75 | 11% | 0.105 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.6 | -39.3 | 178.3 | -64.3 | 167.8 | 0 | 0 | 0 | 111.7 | Y972 H975 A976 F979 E987 A988 E989 T994 I995 | Y972-L991 HydrophobicContact CD1-CD2 3.47Å; Y972-L991 VanDerWaalsContact CD1-CD2 3.47Å; Y972-L991 HydrophobicContact CE1-CD2 4.24Å; Y972-L991 HydrophobicContact CG-CD2 3.85Å; H975-L991 HydrophobicContact CB-CD1 4.05Å; A976-L991 HydrophobicContact CB-CB 3.58Å; A976-L991 HydrophobicContact CB-CD1 3.86Å; A976-L991 HydrophobicContact CB-CG 4.37Å; F979-L991 HydrophobicContact CD2-CD1 3.7Å; F979-L991 HydrophobicContact CE2-CD1 4Å; E987-L991 WeakPolarHBondContact O-CB 3.28Å; E987-L991 VanDerWaalsContact O-CG 3.24Å; E987-L991 WeakPolarHBondContact O-CG 3.29Å; E987-L991 PolarHBondContact O-N 3.28Å; A988-L991 PolarHBondContact O-N 3.34Å; E989-L991 VanDerWaalsContact C-N 3.3Å; E989-L991 PolarHBondContact O-N 2.94Å; L991-T994 WeakPolarHBondContact CA-OG1 3.5Å; L991-T994 PolarHBondContact O-N 2.94Å; L991-T994 PolarHBondContact O-OG1 3.3Å; L991-I995 WeakPolarHBondContact O-CB 3.22Å; L991-I995 WeakPolarHBondContact O-CD1 3.24Å; L991-I995 WeakPolarHBondContact O-CG1 3.29Å; L991-I995 PolarHBondContact O-N 3.41Å; L991-I995 VanDerWaalsContact O-N 3.14Å |
| 992 | Y | 85.6 | Confident | 81.8 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 175.6 | -73.1 | -46.9 | 0 | 0 | 0 | 112.4 | A976 E980 A988 E989 I995 K996 E997 M1004 | A976-Y992 HydrophobicContact CB-CD1 4.5Å; A976-Y992 HydrophobicContact CB-CE1 4.19Å; E980-Y992 PolarHBondContact OE2-OH 3.02Å; A988-Y992 HydrophobicContact CB-CD2 4.29Å; A988-Y992 HydrophobicContact CB-CE2 4.1Å; A988-Y992 WeakPolarHBondContact O-CB 3.23Å; A988-Y992 WeakPolarHBondContact O-CD2 3.38Å; A988-Y992 PolarHBondContact O-N 2.63Å; E989-Y992 PolarHBondContact O-N 2.85Å; Y992-I995 CarbonylContact O-C 3.51Å; Y992-I995 PolarHBondContact O-N 3.07Å; Y992-K996 PolarHBondContact O-N 2.83Å; Y992-E997 PolarHBondContact O-N 2.93Å; Y992-M1004 HydrophobicContact CD2-SD 4.48Å; Y992-M1004 HydrophobicContact CE2-SD 4.23Å |
| 993 | L | 83.2 | Confident | 81.9 | Confident | 60 Ų | 60 | 64.5 Ų | 64.5 | 31% | 0.314 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.5 | -36.4 | 176.4 | -70 | 176.9 | 0 | 0 | 0 | 112.2 | E989 I995 K996 T998 F1021 | E989-L993 HydrophobicContact CG-CD1 3.67Å; E989-L993 HydrophobicContact CG-CG 4.08Å; E989-L993 VanDerWaalsContact O-CB 3.3Å; E989-L993 WeakPolarHBondContact O-CB 3.32Å; E989-L993 VanDerWaalsContact O-CG 3.23Å; E989-L993 WeakPolarHBondContact O-CG 3.22Å; E989-L993 PolarHBondContact O-N 3.26Å; L993-I995 PolarHBondContact O-N 3.37Å; L993-K996 PolarHBondContact O-N 3.31Å; L993-T998 HydrophobicContact CD2-CG2 4.25Å; L993-F1021 HydrophobicContact CD2-CE2 4.18Å; L993-F1021 HydrophobicContact CD2-CZ 4.09Å |
| 994 | T | 77.6 | Confident | 82.4 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 63% | 0.632 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.8 | -26 | 172.7 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | R990 L991 | R990-T994 VanDerWaalsContact O-CG2 3.31Å; R990-T994 WeakPolarHBondContact O-CG2 3.3Å; R990-T994 PolarHBondContact O-N 3.06Å; R990-T994 PolarHBondContact O-OG1 2.6Å; R990-T994 VanDerWaalsContact O-OG1 3.11Å; L991-T994 WeakPolarHBondContact CA-OG1 3.5Å; L991-T994 PolarHBondContact O-N 2.94Å; L991-T994 PolarHBondContact O-OG1 3.3Å |
| 995 | I | 80.2 | Confident | 82.7 | Confident | 49 Ų | 49 | 60.4 Ų | 60.4 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -88.1 | -11.1 | 175.6 | -60.5 | 163.5 | 0 | 0 | 0 | 112.8 | L973 L991 Y992 L993 E997 | L973-I995 HydrophobicContact CD2-CD1 3.5Å; L973-I995 HydrophobicContact CG-CD1 3.67Å; L991-I995 WeakPolarHBondContact O-CB 3.22Å; L991-I995 WeakPolarHBondContact O-CD1 3.24Å; L991-I995 WeakPolarHBondContact O-CG1 3.29Å; L991-I995 PolarHBondContact O-N 3.41Å; L991-I995 VanDerWaalsContact O-N 3.14Å; Y992-I995 CarbonylContact O-C 3.51Å; Y992-I995 PolarHBondContact O-N 3.07Å; L993-I995 PolarHBondContact O-N 3.37Å; I995-E997 HydrophobicContact CG2-CG 4.27Å |
| 996 | K | 77.7 | Confident | 82.6 | Confident | 181 Ų | 181 | 63.5 Ų | 63.5 | 79% | 0.787 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 27.8 | -178.1 | -53.8 | -178.7 | 177.8 | 178.5 | 0 | 116.3 | Y992 L993 | Y992-K996 PolarHBondContact O-N 2.83Å; L993-K996 PolarHBondContact O-N 3.31Å |
| 997 | E | 81.6 | Confident | 82.7 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 43% | 0.425 | 31% | 0.307 | S | S | . | . | trans | -98.8 | 76.6 | 176.4 | -75.9 | -81.8 | 168.5 | 0 | 0 | 111.3 | Y992 I995 R1000 | Y992-E997 PolarHBondContact O-N 2.93Å; I995-E997 HydrophobicContact CG2-CG 4.27Å; E997-R1000 HydrophobicContact CB-CB 4.47Å; E997-R1000 HydrophobicContact CB-CG 4.48Å; E997-R1000 IonicContact OE2-NE 2.97Å | ||
| 998 | T | 83 | Confident | 82.8 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 24% | 0.239 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.5 | -35.7 | -172.9 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | L993 R1000 A1001 I1002 F1021 | L993-T998 HydrophobicContact CD2-CG2 4.25Å; T998-R1000 VanDerWaalsContact C-N 3.29Å; T998-R1000 PolarHBondContact O-N 2.83Å; T998-A1001 WeakPolarHBondContact O-CB 3.39Å; T998-A1001 PolarHBondContact O-N 3.14Å; T998-A1001 VanDerWaalsContact O-N 3.16Å; T998-I1002 PolarHBondContact O-N 3.2Å; T998-F1021 HydrophobicContact CG2-CD1 3.96Å; T998-F1021 HydrophobicContact CG2-CD2 4.28Å; T998-F1021 HydrophobicContact CG2-CE1 3.77Å; T998-F1021 HydrophobicContact CG2-CE2 4.11Å; T998-F1021 HydrophobicContact CG2-CG 4.22Å; T998-F1021 HydrophobicContact CG2-CZ 3.85Å |
| 999 | D | 82.9 | Confident | 82.6 | Confident | 104 Ų | 104 | 72 Ų | 72 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68.6 | -31.1 | -177.4 | -65.5 | -24.6 | 0 | 0 | 0 | 112 | I1002 S1003 | D999-I1002 PolarHBondContact O-N 3.45Å; D999-S1003 VanDerWaalsContact O-CB 3.25Å; D999-S1003 WeakPolarHBondContact O-CB 2.92Å; D999-S1003 PolarHBondContact O-N 3.37Å; D999-S1003 PolarHBondContact O-OG 2.91Å |
| 1000 | R | 83.9 | Confident | 82.4 | Confident | 131 Ų | 131 | 74.1 Ų | 74.1 | 49% | 0.494 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 171.9 | -70.3 | -168.2 | -178.6 | -155.6 | -0.1 | 111.3 | E997 T998 S1003 M1004 | E997-R1000 HydrophobicContact CB-CB 4.47Å; E997-R1000 HydrophobicContact CB-CG 4.48Å; E997-R1000 IonicContact OE2-NE 2.97Å; T998-R1000 VanDerWaalsContact C-N 3.29Å; T998-R1000 PolarHBondContact O-N 2.83Å; R1000-S1003 PolarHBondContact O-N 3.49Å; R1000-M1004 WeakPolarHBondContact O-CB 3.5Å; R1000-M1004 PolarHBondContact O-N 3.03Å |
| 1001 | A | 83 | Confident | 82.4 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T998 M1004 Y1005 L1017 | T998-A1001 WeakPolarHBondContact O-CB 3.39Å; T998-A1001 PolarHBondContact O-N 3.14Å; T998-A1001 VanDerWaalsContact O-N 3.16Å; A1001-M1004 PolarHBondContact O-N 3.4Å; A1001-Y1005 WeakPolarHBondContact O-CD2 3.33Å; A1001-Y1005 PolarHBondContact O-N 2.86Å; A1001-Y1005 VanDerWaalsContact O-N 3.15Å; A1001-L1017 HydrophobicContact CB-CD1 3.69Å |
| 1002 | I | 84.7 | Confident | 82.5 | Confident | 19 Ų | 19 | 77.2 Ų | 77.2 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 176.2 | -64.9 | 172 | 0 | 0 | 0 | 110.8 | T998 D999 Y1005 K1006 M1014 L1017 V1018 | T998-I1002 PolarHBondContact O-N 3.2Å; D999-I1002 PolarHBondContact O-N 3.45Å; I1002-Y1005 PolarHBondContact O-N 3.05Å; I1002-K1006 WeakPolarHBondContact O-CB 3.31Å; I1002-K1006 PolarHBondContact O-N 3.27Å; I1002-M1014 HydrophobicContact CG2-CG 4.13Å; I1002-L1017 HydrophobicContact CD1-CB 4.2Å; I1002-L1017 HydrophobicContact CG1-CB 3.56Å; I1002-L1017 HydrophobicContact CG1-CD1 3.84Å; I1002-L1017 HydrophobicContact CG1-CG 4.36Å; I1002-V1018 HydrophobicContact CG2-CG2 4.4Å |
| 1003 | S | 85.6 | Confident | 82.4 | Confident | 58 Ų | 58 | 78.6 Ų | 78.6 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 178.7 | -62 | 0 | 0 | 0 | 0 | 112.2 | D999 R1000 Y1005 K1006 N1007 | D999-S1003 VanDerWaalsContact O-CB 3.25Å; D999-S1003 WeakPolarHBondContact O-CB 2.92Å; D999-S1003 PolarHBondContact O-N 3.37Å; D999-S1003 PolarHBondContact O-OG 2.91Å; R1000-S1003 PolarHBondContact O-N 3.49Å; S1003-Y1005 VanDerWaalsContact C-N 3.33Å; S1003-Y1005 PolarHBondContact O-N 3.26Å; S1003-K1006 PolarHBondContact O-N 3.02Å; S1003-N1007 VanDerWaalsContact O-CB 3.29Å; S1003-N1007 WeakPolarHBondContact O-CB 3.49Å; S1003-N1007 PolarHBondContact O-N 3.47Å; S1003-N1007 PolarHBondContact O-ND2 3.36Å |
| 1004 | M | 86.2 | Confident | 82.5 | Confident | 4 Ų | 4 | 76.7 Ų | 76.7 | 2% | 0.02 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.8 | -49.1 | 172.8 | 178.9 | -165.1 | 68.4 | 0 | 0 | 110 | E980 Y985 A988 E989 Y992 R1000 A1001 T1008 | E980-M1004 HydrophobicContact CG-CG 4.29Å; E980-M1004 HydrophobicContact CG-SD 4.47Å; Y985-M1004 HydrophobicContact CD1-CG 3.9Å; Y985-M1004 HydrophobicContact CD1-SD 3.78Å; Y985-M1004 HydrophobicContact CG-SD 4.34Å; Y985-M1004 WeakPolarHBondContact O-CE 3.2Å; A988-M1004 HydrophobicContact CB-SD 4.08Å; E989-M1004 HydrophobicContact CB-CE 4.42Å; Y992-M1004 HydrophobicContact CD2-SD 4.48Å; Y992-M1004 HydrophobicContact CE2-SD 4.23Å; R1000-M1004 WeakPolarHBondContact O-CB 3.5Å; R1000-M1004 PolarHBondContact O-N 3.03Å; A1001-M1004 PolarHBondContact O-N 3.4Å; M1004-T1008 WeakPolarHBondContact O-CB 3.37Å; M1004-T1008 VanDerWaalsContact O-CG2 3.22Å; M1004-T1008 WeakPolarHBondContact O-CG2 3.34Å; M1004-T1008 PolarHBondContact O-N 3.21Å; M1004-T1008 VanDerWaalsContact O-N 3.12Å; M1004-T1008 PolarHBondContact O-OG1 3.37Å |
| 1005 | Y | 86.3 | Confident | 82.7 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.8 | -33.8 | 178.9 | -72.1 | -55.2 | 0 | 0 | 0 | 114.1 | Y985 E989 A1001 I1002 S1003 T1008 R1009 Q1010 D1013 L1017 | Y985-Y1005 PolarHBondContact O-OH 2.95Å; E989-Y1005 HydrophobicContact CB-CE2 4.44Å; E989-Y1005 HydrophobicContact CG-CE2 4.41Å; E989-Y1005 PolarHBondContact OE2-OH 3.33Å; A1001-Y1005 WeakPolarHBondContact O-CD2 3.33Å; A1001-Y1005 PolarHBondContact O-N 2.86Å; A1001-Y1005 VanDerWaalsContact O-N 3.15Å; I1002-Y1005 PolarHBondContact O-N 3.05Å; S1003-Y1005 VanDerWaalsContact C-N 3.33Å; S1003-Y1005 PolarHBondContact O-N 3.26Å; Y1005-T1008 WeakPolarHBondContact CA-OG1 3.27Å; Y1005-T1008 PolarHBondContact O-OG1 3.13Å; Y1005-R1009 PolarHBondContact O-N 3.07Å; Y1005-Q1010 HydrophobicContact CD1-CB 3.75Å; Y1005-Q1010 HydrophobicContact CD1-CG 4.5Å; Y1005-Q1010 PolarHBondContact O-N 3.14Å; Y1005-D1013 HydrophobicContact CD1-CB 3.52Å; Y1005-D1013 HydrophobicContact CD2-CB 3.73Å; Y1005-D1013 HydrophobicContact CE1-CB 3.52Å; Y1005-D1013 HydrophobicContact CE2-CB 3.74Å; Y1005-D1013 HydrophobicContact CG-CB 3.61Å; Y1005-L1017 HydrophobicContact CD2-CD1 3.6Å; Y1005-L1017 HydrophobicContact CE2-CD1 3.89Å |
| 1006 | K | 83.3 | Confident | 83.1 | Confident | 124 Ų | 124 | 74.1 Ų | 74.1 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 174.2 | -174.7 | 179.6 | 177.8 | -179.6 | 0 | 111.7 | I1002 S1003 T1008 R1009 M1014 | I1002-K1006 WeakPolarHBondContact O-CB 3.31Å; I1002-K1006 PolarHBondContact O-N 3.27Å; S1003-K1006 PolarHBondContact O-N 3.02Å; K1006-T1008 VanDerWaalsContact C-N 3.32Å; K1006-T1008 PolarHBondContact O-N 3.03Å; K1006-R1009 PolarHBondContact O-N 3.07Å; K1006-M1014 HydrophobicContact CB-SD 3.98Å; K1006-M1014 HydrophobicContact CG-SD 4.12Å |
| 1007 | N | 83.2 | Confident | 83.4 | Confident | 133 Ų | 133 | 65.5 Ų | 65.5 | 71% | 0.711 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.1 | -32.7 | -178.5 | -70 | -13.5 | 0 | 0 | 0 | 112.3 | S1003 R1009 | S1003-N1007 VanDerWaalsContact O-CB 3.29Å; S1003-N1007 WeakPolarHBondContact O-CB 3.49Å; S1003-N1007 PolarHBondContact O-N 3.47Å; S1003-N1007 PolarHBondContact O-ND2 3.36Å; N1007-R1009 PolarHBondContact O-N 3.1Å |
| 1008 | T | 80.5 | Confident | 83.5 | Confident | 44 Ų | 44 | 61.6 Ų | 61.6 | 27% | 0.27 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 4.4 | 176.6 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | Y985 M1004 Y1005 K1006 Q1010 | Y985-T1008 HydrophobicContact CD1-CG2 4.33Å; Y985-T1008 HydrophobicContact CE1-CG2 3.62Å; Y985-T1008 HydrophobicContact CE2-CG2 4.3Å; M1004-T1008 WeakPolarHBondContact O-CB 3.37Å; M1004-T1008 VanDerWaalsContact O-CG2 3.22Å; M1004-T1008 WeakPolarHBondContact O-CG2 3.34Å; M1004-T1008 PolarHBondContact O-N 3.21Å; M1004-T1008 VanDerWaalsContact O-N 3.12Å; M1004-T1008 PolarHBondContact O-OG1 3.37Å; Y1005-T1008 WeakPolarHBondContact CA-OG1 3.27Å; Y1005-T1008 PolarHBondContact O-OG1 3.13Å; K1006-T1008 VanDerWaalsContact C-N 3.32Å; K1006-T1008 PolarHBondContact O-N 3.03Å; T1008-Q1010 PolarHBondContact O-N 3.38Å |
| 1009 | R | 78.5 | Confident | 83.5 | Confident | 173 Ų | 173 | 66.3 Ų | 66.3 | 65% | 0.653 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 24 | -175.3 | -56.8 | -176.3 | 177.2 | -165.8 | -3.1 | 113.8 | Y1005 K1006 N1007 Y1011 | Y1005-R1009 PolarHBondContact O-N 3.07Å; K1006-R1009 PolarHBondContact O-N 3.07Å; N1007-R1009 PolarHBondContact O-N 3.1Å; R1009-Y1011 VanDerWaalsContact C-N 3.27Å; R1009-Y1011 HydrophobicContact CB-CE2 4.04Å; R1009-Y1011 WeakPolarHBondContact O-CD2 3.41Å; R1009-Y1011 PolarHBondContact O-N 3.35Å; R1009-Y1011 VanDerWaalsContact O-N 3.14Å |
| 1010 | Q | 80.9 | Confident | 83.5 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | trans | -87.7 | 66.6 | 174.4 | -69.3 | -173.2 | 3.1 | 0 | 0 | 110.1 | Y1005 T1008 R1012 D1013 M1014 | Y1005-Q1010 HydrophobicContact CD1-CB 3.75Å; Y1005-Q1010 HydrophobicContact CD1-CG 4.5Å; Y1005-Q1010 PolarHBondContact O-N 3.14Å; T1008-Q1010 PolarHBondContact O-N 3.38Å; Q1010-R1012 PolarHBondContact O-N 3.15Å; Q1010-R1012 VanDerWaalsContact O-N 3.13Å; Q1010-D1013 PolarHBondContact O-N 2.83Å; Q1010-M1014 PolarHBondContact O-N 3.2Å; Q1010-M1014 VanDerWaalsContact O-N 3.1Å | ||
| 1011 | Y | 83.3 | Confident | 83.2 | Confident | 28 Ų | 28 | 66 Ų | 66 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -25.8 | -174.5 | -54.9 | -64.5 | 0 | 0 | 0 | 113.7 | R1009 M1014 L1015 L1033 F1037 | R1009-Y1011 VanDerWaalsContact C-N 3.27Å; R1009-Y1011 HydrophobicContact CB-CE2 4.04Å; R1009-Y1011 WeakPolarHBondContact O-CD2 3.41Å; R1009-Y1011 PolarHBondContact O-N 3.35Å; R1009-Y1011 VanDerWaalsContact O-N 3.14Å; Y1011-M1014 HydrophobicContact CD1-SD 4.26Å; Y1011-L1015 VanDerWaalsContact O-CB 3.26Å; Y1011-L1015 WeakPolarHBondContact O-CB 3.38Å; Y1011-L1015 WeakPolarHBondContact O-CD1 3.41Å; Y1011-L1015 WeakPolarHBondContact O-CG 3.32Å; Y1011-L1015 PolarHBondContact O-N 3Å; Y1011-L1033 HydrophobicContact CD1-CD2 3.52Å; Y1011-L1033 HydrophobicContact CD2-CD2 4.29Å; Y1011-L1033 HydrophobicContact CE1-CD2 3.79Å; Y1011-L1033 HydrophobicContact CG-CD2 3.78Å; Y1011-F1037 HydrophobicContact CD2-CE2 4Å; Y1011-F1037 AromaticContact CD2-CZ 3.61Å; Y1011-F1037 HydrophobicContact CD2-CZ 3.61Å; Y1011-F1037 HydrophobicContact CE2-CE1 4.32Å; Y1011-F1037 HydrophobicContact CE2-CE2 4.1Å; Y1011-F1037 AromaticContact CE2-CZ 3.47Å; Y1011-F1037 HydrophobicContact CE2-CZ 3.47Å; Y1011-F1037 VanDerWaalsContact CE2-CZ 3.47Å |
| 1012 | R | 81.4 | Confident | 83 | Confident | 209 Ų | 209 | 69.4 Ų | 69.4 | 79% | 0.789 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.5 | -46.5 | 178 | -172.3 | 179.9 | 179.2 | 173.1 | 0.7 | 112.4 | Q1010 L1015 R1016 | Q1010-R1012 PolarHBondContact O-N 3.15Å; Q1010-R1012 VanDerWaalsContact O-N 3.13Å; R1012-L1015 PolarHBondContact O-N 3.42Å; R1012-R1016 PolarHBondContact O-N 3.44Å |
| 1013 | D | 82.6 | Confident | 82.8 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74.2 | -33.5 | 178.2 | -65.3 | -62.8 | 0 | 0 | 0 | 110.8 | Y1005 Q1010 R1016 L1017 | Y1005-D1013 HydrophobicContact CD1-CB 3.52Å; Y1005-D1013 HydrophobicContact CD2-CB 3.73Å; Y1005-D1013 HydrophobicContact CE1-CB 3.52Å; Y1005-D1013 HydrophobicContact CE2-CB 3.74Å; Y1005-D1013 HydrophobicContact CG-CB 3.61Å; Q1010-D1013 PolarHBondContact O-N 2.83Å; D1013-R1016 WeakPolarHBondContact O-CB 3.27Å; D1013-R1016 PolarHBondContact O-N 3.05Å; D1013-R1016 IonicContact OD1-CZ 2.89Å; D1013-R1016 IonicContact OD1-NH1 3.96Å; D1013-R1016 PolarHBondContact OD1-NH1 3.37Å; D1013-R1016 IonicContact OD1-NH2 3.99Å; D1013-L1017 PolarHBondContact O-N 3.45Å |
| 1014 | M | 85.3 | Confident | 82.6 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.6 | -52.5 | 167.2 | -179 | -162.9 | 156.9 | 0 | 0 | 111.3 | I1002 K1006 Q1010 Y1011 R1016 L1017 V1018 T1029 | I1002-M1014 HydrophobicContact CG2-CG 4.13Å; K1006-M1014 HydrophobicContact CB-SD 3.98Å; K1006-M1014 HydrophobicContact CG-SD 4.12Å; Q1010-M1014 PolarHBondContact O-N 3.2Å; Q1010-M1014 VanDerWaalsContact O-N 3.1Å; Y1011-M1014 HydrophobicContact CD1-SD 4.26Å; M1014-R1016 PolarHBondContact O-N 2.81Å; M1014-L1017 PolarHBondContact O-N 2.97Å; M1014-L1017 VanDerWaalsContact O-N 3.13Å; M1014-V1018 HydrophobicContact CE-CG2 4.23Å; M1014-V1018 HydrophobicContact CG-CG2 4.27Å; M1014-V1018 WeakPolarHBondContact O-CB 3.14Å; M1014-V1018 VanDerWaalsContact O-CG2 3.29Å; M1014-V1018 WeakPolarHBondContact O-CG2 3.25Å; M1014-V1018 PolarHBondContact O-N 3.24Å; M1014-T1029 HydrophobicContact CE-CG2 4.34Å |
| 1015 | L | 83.3 | Confident | 82.4 | Confident | 12 Ų | 12 | 80.5 Ų | 80.5 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.6 | -30.8 | 178.4 | -75 | 165.3 | 0 | 0 | 0 | 111.8 | Y1011 R1012 K1019 L1026 Y1030 L1033 Y1049 | Y1011-L1015 VanDerWaalsContact O-CB 3.26Å; Y1011-L1015 WeakPolarHBondContact O-CB 3.38Å; Y1011-L1015 WeakPolarHBondContact O-CD1 3.41Å; Y1011-L1015 WeakPolarHBondContact O-CG 3.32Å; Y1011-L1015 PolarHBondContact O-N 3Å; R1012-L1015 PolarHBondContact O-N 3.42Å; L1015-K1019 WeakPolarHBondContact O-CB 3.38Å; L1015-K1019 PolarHBondContact O-N 3.41Å; L1015-L1026 HydrophobicContact CD2-CD1 3.82Å; L1015-Y1030 HydrophobicContact CD1-CD1 4.17Å; L1015-Y1030 HydrophobicContact CD1-CE1 3.65Å; L1015-Y1030 HydrophobicContact CD2-CD1 4.14Å; L1015-Y1030 HydrophobicContact CD2-CE1 3.93Å; L1015-Y1030 HydrophobicContact CG-CE1 4.39Å; L1015-L1033 HydrophobicContact CD1-CD1 3.86Å; L1015-L1033 HydrophobicContact CD2-CD1 4.18Å; L1015-L1033 HydrophobicContact CG-CD1 4.17Å; L1015-Y1049 HydrophobicContact CD1-CE1 3.66Å |
| 1016 | R | 87.1 | Confident | 82.2 | Confident | 85 Ų | 85 | 81.6 Ų | 81.6 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.1 | -49.6 | 171.5 | -176.7 | -175.1 | 69.8 | -137.5 | -5.9 | 111.2 | E989 R1012 D1013 M1014 K1019 Q1020 | E989-R1016 IonicContact OE1-CZ 3.39Å; E989-R1016 IonicContact OE1-NE 3.99Å; E989-R1016 IonicContact OE1-NH2 2.79Å; E989-R1016 PolarHBondContact OE1-NH2 3.06Å; E989-R1016 IonicContact OE2-CZ 2.88Å; E989-R1016 IonicContact OE2-NH2 2.7Å; E989-R1016 PolarHBondContact OE2-NH2 3.1Å; R1012-R1016 PolarHBondContact O-N 3.44Å; D1013-R1016 WeakPolarHBondContact O-CB 3.27Å; D1013-R1016 PolarHBondContact O-N 3.05Å; D1013-R1016 IonicContact OD1-CZ 2.89Å; D1013-R1016 IonicContact OD1-NH1 3.96Å; D1013-R1016 PolarHBondContact OD1-NH1 3.37Å; D1013-R1016 IonicContact OD1-NH2 3.99Å; M1014-R1016 PolarHBondContact O-N 2.81Å; R1016-K1019 PolarHBondContact O-N 3.08Å; R1016-Q1020 WeakPolarHBondContact O-CG 3.34Å; R1016-Q1020 PolarHBondContact O-N 3.19Å |
| 1017 | L | 83.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 179.2 | -69.2 | 177.5 | 0 | 0 | 0 | 111.9 | A1001 I1002 Y1005 D1013 M1014 Q1020 F1021 | A1001-L1017 HydrophobicContact CB-CD1 3.69Å; I1002-L1017 HydrophobicContact CD1-CB 4.2Å; I1002-L1017 HydrophobicContact CG1-CB 3.56Å; I1002-L1017 HydrophobicContact CG1-CD1 3.84Å; I1002-L1017 HydrophobicContact CG1-CG 4.36Å; Y1005-L1017 HydrophobicContact CD2-CD1 3.6Å; Y1005-L1017 HydrophobicContact CE2-CD1 3.89Å; D1013-L1017 PolarHBondContact O-N 3.45Å; M1014-L1017 PolarHBondContact O-N 2.97Å; M1014-L1017 VanDerWaalsContact O-N 3.13Å; L1017-Q1020 PolarHBondContact O-N 2.67Å; L1017-F1021 HydrophobicContact CD2-CD2 4.16Å; L1017-F1021 HydrophobicContact CD2-CE2 3.9Å; L1017-F1021 WeakPolarHBondContact O-CD2 3.39Å; L1017-F1021 PolarHBondContact O-N 3.37Å |
| 1018 | V | 84.1 | Confident | 82.2 | Confident | 8 Ų | 8 | 81.3 Ų | 81.3 | 5% | 0.048 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 172.9 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | I1002 M1014 Q1020 N1022 A1023 L1026 | I1002-V1018 HydrophobicContact CG2-CG2 4.4Å; M1014-V1018 HydrophobicContact CE-CG2 4.23Å; M1014-V1018 HydrophobicContact CG-CG2 4.27Å; M1014-V1018 WeakPolarHBondContact O-CB 3.14Å; M1014-V1018 VanDerWaalsContact O-CG2 3.29Å; M1014-V1018 WeakPolarHBondContact O-CG2 3.25Å; M1014-V1018 PolarHBondContact O-N 3.24Å; V1018-Q1020 VanDerWaalsContact C-N 3.28Å; V1018-Q1020 PolarHBondContact O-N 2.93Å; V1018-N1022 HydrophobicContact CG1-CB 4.35Å; V1018-N1022 WeakPolarHBondContact CG1-O 3.41Å; V1018-N1022 CarbonylContact O-C 3.57Å; V1018-N1022 WeakPolarHBondContact O-CA 3.17Å; V1018-N1022 PolarHBondContact O-N 2.95Å; V1018-A1023 PolarHBondContact O-N 3.23Å; V1018-L1026 HydrophobicContact CG1-CD1 4.47Å |
| 1019 | K | 83.8 | Confident | 82.3 | Confident | 138 Ų | 138 | 80.6 Ų | 80.6 | 60% | 0.6 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.3 | -31.1 | 176.3 | -171.7 | 172.7 | -176.2 | 172.6 | 0 | 113.3 | L1015 R1016 L1026 | L1015-K1019 WeakPolarHBondContact O-CB 3.38Å; L1015-K1019 PolarHBondContact O-N 3.41Å; R1016-K1019 PolarHBondContact O-N 3.08Å; K1019-L1026 HydrophobicContact CB-CD1 4.43Å; K1019-L1026 HydrophobicContact CD-CD2 4.48Å; K1019-L1026 HydrophobicContact CG-CD2 4.39Å |
| 1020 | Q | 82.3 | Confident | 82.7 | Confident | 129 Ų | 129 | 73.8 Ų | 73.8 | 60% | 0.603 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -84.2 | -41.6 | 179.8 | -78.7 | -177.2 | -11.7 | 0 | 0 | 113.9 | R1016 L1017 V1018 | R1016-Q1020 WeakPolarHBondContact O-CG 3.34Å; R1016-Q1020 PolarHBondContact O-N 3.19Å; L1017-Q1020 PolarHBondContact O-N 2.67Å; V1018-Q1020 VanDerWaalsContact C-N 3.28Å; V1018-Q1020 PolarHBondContact O-N 2.93Å |
| 1021 | F | 78.8 | Confident | 83 | Confident | 99 Ų | 99 | 73.8 Ų | 73.8 | 43% | 0.434 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -107.5 | -24.9 | -172.6 | -64.1 | -77.9 | 0 | 0 | 0 | 113.5 | L993 T998 L1017 | L993-F1021 HydrophobicContact CD2-CE2 4.18Å; L993-F1021 HydrophobicContact CD2-CZ 4.09Å; T998-F1021 HydrophobicContact CG2-CD1 3.96Å; T998-F1021 HydrophobicContact CG2-CD2 4.28Å; T998-F1021 HydrophobicContact CG2-CE1 3.77Å; T998-F1021 HydrophobicContact CG2-CE2 4.11Å; T998-F1021 HydrophobicContact CG2-CG 4.22Å; T998-F1021 HydrophobicContact CG2-CZ 3.85Å; L1017-F1021 HydrophobicContact CD2-CD2 4.16Å; L1017-F1021 HydrophobicContact CD2-CE2 3.9Å; L1017-F1021 WeakPolarHBondContact O-CD2 3.39Å; L1017-F1021 PolarHBondContact O-N 3.37Å |
| 1022 | N | 78.9 | Confident | 83.1 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | trans | -140.7 | 60.6 | -174 | -70.8 | -26.7 | 0 | 0 | 0 | 113.7 | V1018 D1024 | V1018-N1022 HydrophobicContact CG1-CB 4.35Å; V1018-N1022 WeakPolarHBondContact CG1-O 3.41Å; V1018-N1022 CarbonylContact O-C 3.57Å; V1018-N1022 WeakPolarHBondContact O-CA 3.17Å; V1018-N1022 PolarHBondContact O-N 2.95Å; N1022-D1024 VanDerWaalsContact C-N 3.34Å; N1022-D1024 PolarHBondContact O-N 3.3Å | ||
| 1023 | A | 79.6 | Confident | 83.3 | Confident | 60 Ų | 60 | 69 Ų | 69 | 50% | 0.496 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -64.7 | -28.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1018 L1025 L1026 | V1018-A1023 PolarHBondContact O-N 3.23Å; A1023-L1025 PolarHBondContact O-N 2.86Å; A1023-L1026 VanDerWaalsContact O-CB 3.25Å; A1023-L1026 WeakPolarHBondContact O-CB 3.36Å; A1023-L1026 PolarHBondContact O-N 3.45Å |
| 1024 | D | 81.6 | Confident | 83.4 | Confident | 164 Ų | 164 | 67.3 Ų | 67.3 | 88% | 0.877 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -66.2 | -23.7 | -175.4 | -60.4 | -24.2 | 0 | 0 | 0 | 113.5 | N1022 | N1022-D1024 VanDerWaalsContact C-N 3.34Å; N1022-D1024 PolarHBondContact O-N 3.3Å |
| 1025 | L | 81.3 | Confident | 83.5 | Confident | 90 Ų | 90 | 71.1 Ų | 71.1 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -88.5 | -2.8 | -178.7 | -71.7 | 160.5 | 0 | 0 | 0 | 112.9 | A1023 Q1028 T1029 | A1023-L1025 PolarHBondContact O-N 2.86Å; L1025-Q1028 PolarHBondContact O-N 2.97Å; L1025-T1029 PolarHBondContact O-N 2.89Å; L1025-T1029 PolarHBondContact O-OG1 3.36Å |
| 1026 | L | 83 | Confident | 83.6 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.6 | -51.1 | -166.9 | -172 | 68.5 | 0 | 0 | 0 | 113.2 | L1015 V1018 K1019 A1023 Q1028 T1029 Y1030 | L1015-L1026 HydrophobicContact CD2-CD1 3.82Å; V1018-L1026 HydrophobicContact CG1-CD1 4.47Å; K1019-L1026 HydrophobicContact CB-CD1 4.43Å; K1019-L1026 HydrophobicContact CD-CD2 4.48Å; K1019-L1026 HydrophobicContact CG-CD2 4.39Å; A1023-L1026 VanDerWaalsContact O-CB 3.25Å; A1023-L1026 WeakPolarHBondContact O-CB 3.36Å; A1023-L1026 PolarHBondContact O-N 3.45Å; L1026-Q1028 VanDerWaalsContact C-N 3.33Å; L1026-Q1028 PolarHBondContact O-N 3.48Å; L1026-T1029 VanDerWaalsContact C-OG1 3.29Å; L1026-T1029 VanDerWaalsContact CA-OG1 3.23Å; L1026-T1029 WeakPolarHBondContact CA-OG1 3.5Å; L1026-T1029 PolarHBondContact O-N 3.47Å; L1026-T1029 VanDerWaalsContact O-N 3.14Å; L1026-T1029 PolarHBondContact O-OG1 3.49Å; L1026-Y1030 HydrophobicContact CD1-CD2 4.38Å; L1026-Y1030 HydrophobicContact CD1-CE2 3.8Å; L1026-Y1030 HydrophobicContact CD2-CE2 3.83Å; L1026-Y1030 HydrophobicContact CG-CD2 3.91Å; L1026-Y1030 HydrophobicContact CG-CE2 3.47Å; L1026-Y1030 VanDerWaalsContact CG-CE2 3.47Å; L1026-Y1030 WeakPolarHBondContact O-CD2 3.19Å; L1026-Y1030 PolarHBondContact O-N 2.79Å |
| 1027 | D | 81.3 | Confident | 83.5 | Confident | 112 Ų | 112 | 69.8 Ų | 69.8 | 60% | 0.599 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.1 | -38 | -178 | -67.6 | -14.1 | 0 | 0 | 0 | 111.6 | Y1030 L1031 | D1027-Y1030 PolarHBondContact O-N 2.93Å; D1027-L1031 PolarHBondContact O-N 3.35Å |
| 1028 | Q | 84.6 | Confident | 83.5 | Confident | 139 Ų | 139 | 73.1 Ų | 73.1 | 65% | 0.65 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.3 | -40.3 | 173.2 | -69.6 | -178.4 | 3.5 | 0 | 0 | 111.5 | L1025 L1026 Y1030 L1031 H1032 | L1025-Q1028 PolarHBondContact O-N 2.97Å; L1026-Q1028 VanDerWaalsContact C-N 3.33Å; L1026-Q1028 PolarHBondContact O-N 3.48Å; Q1028-Y1030 VanDerWaalsContact C-N 3.33Å; Q1028-Y1030 PolarHBondContact O-N 2.52Å; Q1028-L1031 PolarHBondContact O-N 2.87Å; Q1028-H1032 WeakPolarHBondContact O-CB 3.38Å; Q1028-H1032 PolarHBondContact O-N 2.86Å |
| 1029 | T | 82.5 | Confident | 83.6 | Confident | 29 Ų | 29 | 77.5 Ų | 77.5 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 173.8 | 39.2 | 0 | 0 | 0 | 0 | 112.5 | M1014 L1025 L1026 L1033 | M1014-T1029 HydrophobicContact CE-CG2 4.34Å; L1025-T1029 PolarHBondContact O-N 2.89Å; L1025-T1029 PolarHBondContact O-OG1 3.36Å; L1026-T1029 VanDerWaalsContact C-OG1 3.29Å; L1026-T1029 VanDerWaalsContact CA-OG1 3.23Å; L1026-T1029 WeakPolarHBondContact CA-OG1 3.5Å; L1026-T1029 PolarHBondContact O-N 3.47Å; L1026-T1029 VanDerWaalsContact O-N 3.14Å; L1026-T1029 PolarHBondContact O-OG1 3.49Å; T1029-L1033 VanDerWaalsContact O-CB 3.31Å; T1029-L1033 WeakPolarHBondContact O-CB 3.37Å; T1029-L1033 WeakPolarHBondContact O-CG 3.42Å; T1029-L1033 PolarHBondContact O-N 3.48Å |
| 1030 | Y | 87.2 | Confident | 83.5 | Confident | 30 Ų | 30 | 75.3 Ų | 75.3 | 12% | 0.118 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 175.1 | -75.8 | -50.4 | 0 | 0 | 0 | 112.5 | L1015 L1026 D1027 Q1028 L1033 A1034 Y1049 E1052 | L1015-Y1030 HydrophobicContact CD1-CD1 4.17Å; L1015-Y1030 HydrophobicContact CD1-CE1 3.65Å; L1015-Y1030 HydrophobicContact CD2-CD1 4.14Å; L1015-Y1030 HydrophobicContact CD2-CE1 3.93Å; L1015-Y1030 HydrophobicContact CG-CE1 4.39Å; L1026-Y1030 HydrophobicContact CD1-CD2 4.38Å; L1026-Y1030 HydrophobicContact CD1-CE2 3.8Å; L1026-Y1030 HydrophobicContact CD2-CE2 3.83Å; L1026-Y1030 HydrophobicContact CG-CD2 3.91Å; L1026-Y1030 HydrophobicContact CG-CE2 3.47Å; L1026-Y1030 VanDerWaalsContact CG-CE2 3.47Å; L1026-Y1030 WeakPolarHBondContact O-CD2 3.19Å; L1026-Y1030 PolarHBondContact O-N 2.79Å; D1027-Y1030 PolarHBondContact O-N 2.93Å; Q1028-Y1030 VanDerWaalsContact C-N 3.33Å; Q1028-Y1030 PolarHBondContact O-N 2.52Å; Y1030-L1033 PolarHBondContact O-N 2.52Å; Y1030-A1034 WeakPolarHBondContact O-CB 3.38Å; Y1030-A1034 PolarHBondContact O-N 2.93Å; Y1030-Y1049 AromaticContact CD1-CD1 3.6Å; Y1030-Y1049 HydrophobicContact CD1-CD1 3.6Å; Y1030-Y1049 HydrophobicContact CD1-CE1 4.14Å; Y1030-Y1049 AromaticContact CE1-CD1 3.96Å; Y1030-Y1049 HydrophobicContact CE1-CD1 3.96Å; Y1030-Y1049 HydrophobicContact CE1-CE1 4.18Å; Y1030-E1052 HydrophobicContact CD1-CB 4.28Å; Y1030-E1052 HydrophobicContact CE1-CB 4.16Å; Y1030-E1052 WeakPolarHBondContact CE1-OE2 3.4Å; Y1030-E1052 HydrophobicContact CE2-CB 4.44Å; Y1030-E1052 HydrophobicContact CG-CB 4.43Å; Y1030-E1052 PolarHBondContact OH-OE2 2.71Å |
| 1031 | L | 86.6 | Confident | 83.3 | Confident | 66 Ų | 66 | 71.6 Ų | 71.6 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 174.8 | -108.1 | 153.5 | 0 | 0 | 0 | 111.7 | D1027 Q1028 L1033 A1034 E1035 Y1050 A1053 | D1027-L1031 PolarHBondContact O-N 3.35Å; Q1028-L1031 PolarHBondContact O-N 2.87Å; L1031-L1033 PolarHBondContact O-N 2.76Å; L1031-A1034 WeakPolarHBondContact O-CB 3.38Å; L1031-A1034 PolarHBondContact O-N 2.78Å; L1031-A1034 VanDerWaalsContact O-N 3.15Å; L1031-E1035 WeakPolarHBondContact O-CG 3.43Å; L1031-E1035 PolarHBondContact O-N 2.74Å; L1031-Y1050 HydrophobicContact CD2-CE1 4.3Å; L1031-A1053 HydrophobicContact CG-CB 4.27Å |
| 1032 | H | 85.8 | Confident | 83.4 | Confident | 124 Ų | 124 | 69.9 Ų | 69.9 | 57% | 0.574 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.2 | -37.2 | -179.3 | -160.2 | 40.4 | 0 | 0 | 0 | 112.4 | Q1028 E1035 Q1036 | Q1028-H1032 WeakPolarHBondContact O-CB 3.38Å; Q1028-H1032 PolarHBondContact O-N 2.86Å; H1032-E1035 IonicContact ND1-OE2 3.76Å; H1032-Q1036 VanDerWaalsContact O-CB 3.23Å; H1032-Q1036 WeakPolarHBondContact O-CB 3.42Å; H1032-Q1036 PolarHBondContact O-N 3.01Å |
| 1033 | L | 86.3 | Confident | 83.6 | Confident | 11 Ų | 11 | 67.2 Ų | 67.2 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 171 | -73.7 | 171 | 0 | 0 | 0 | 111.3 | Y1011 L1015 T1029 Y1030 L1031 Q1036 F1037 Y1049 | Y1011-L1033 HydrophobicContact CD1-CD2 3.52Å; Y1011-L1033 HydrophobicContact CD2-CD2 4.29Å; Y1011-L1033 HydrophobicContact CE1-CD2 3.79Å; Y1011-L1033 HydrophobicContact CG-CD2 3.78Å; L1015-L1033 HydrophobicContact CD1-CD1 3.86Å; L1015-L1033 HydrophobicContact CD2-CD1 4.18Å; L1015-L1033 HydrophobicContact CG-CD1 4.17Å; T1029-L1033 VanDerWaalsContact O-CB 3.31Å; T1029-L1033 WeakPolarHBondContact O-CB 3.37Å; T1029-L1033 WeakPolarHBondContact O-CG 3.42Å; T1029-L1033 PolarHBondContact O-N 3.48Å; Y1030-L1033 PolarHBondContact O-N 2.52Å; L1031-L1033 PolarHBondContact O-N 2.76Å; L1033-Q1036 PolarHBondContact O-N 2.91Å; L1033-F1037 HydrophobicContact CB-CD2 4.4Å; L1033-F1037 HydrophobicContact CB-CE2 4.45Å; L1033-F1037 HydrophobicContact CD2-CE2 4.26Å; L1033-F1037 WeakPolarHBondContact O-CB 3.34Å; L1033-F1037 WeakPolarHBondContact O-CD2 3.42Å; L1033-F1037 PolarHBondContact O-N 3.02Å; L1033-Y1049 HydrophobicContact CB-CD2 4.05Å; L1033-Y1049 HydrophobicContact CB-CE2 4.32Å; L1033-Y1049 HydrophobicContact CB-CG 4.16Å; L1033-Y1049 HydrophobicContact CD1-CE1 4.14Å |
| 1034 | A | 84.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -46 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1030 L1031 F1037 Q1038 A1046 Y1050 | Y1030-A1034 WeakPolarHBondContact O-CB 3.38Å; Y1030-A1034 PolarHBondContact O-N 2.93Å; L1031-A1034 WeakPolarHBondContact O-CB 3.38Å; L1031-A1034 PolarHBondContact O-N 2.78Å; L1031-A1034 VanDerWaalsContact O-N 3.15Å; A1034-F1037 PolarHBondContact O-N 3.01Å; A1034-Q1038 WeakPolarHBondContact O-CB 3.18Å; A1034-Q1038 PolarHBondContact O-N 2.68Å; A1034-A1046 WeakPolarHBondContact O-CB 3.43Å; A1034-Y1050 HydrophobicContact CB-CD1 3.68Å; A1034-Y1050 HydrophobicContact CB-CD2 3.93Å; A1034-Y1050 HydrophobicContact CB-CE1 3.66Å; A1034-Y1050 HydrophobicContact CB-CE2 3.93Å; A1034-Y1050 HydrophobicContact CB-CG 3.79Å |
| 1035 | E | 86.5 | Confident | 83.7 | Confident | 100 Ų | 100 | 66.8 Ų | 66.8 | 47% | 0.467 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64 | -42.8 | 174.7 | -71.9 | 177.3 | 169.4 | 0 | 0 | 111.9 | L1031 H1032 Q1038 S1039 | L1031-E1035 WeakPolarHBondContact O-CG 3.43Å; L1031-E1035 PolarHBondContact O-N 2.74Å; H1032-E1035 IonicContact ND1-OE2 3.76Å; E1035-Q1038 PolarHBondContact O-N 3.09Å; E1035-S1039 WeakPolarHBondContact O-CB 3.42Å; E1035-S1039 PolarHBondContact O-N 2.96Å; E1035-S1039 PolarHBondContact O-OG 3.17Å |
| 1036 | Q | 85.7 | Confident | 83.9 | Confident | 62 Ų | 62 | 62.5 Ų | 62.5 | 29% | 0.29 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 177.1 | -169.9 | -179.8 | -15.8 | 0 | 0 | 110.3 | H1032 L1033 Q1038 S1039 E1040 | H1032-Q1036 VanDerWaalsContact O-CB 3.23Å; H1032-Q1036 WeakPolarHBondContact O-CB 3.42Å; H1032-Q1036 PolarHBondContact O-N 3.01Å; L1033-Q1036 PolarHBondContact O-N 2.91Å; Q1036-Q1038 VanDerWaalsContact C-N 3.34Å; Q1036-Q1038 PolarHBondContact O-N 3.19Å; Q1036-S1039 PolarHBondContact O-N 2.99Å; Q1036-S1039 PolarHBondContact O-OG 3.29Å; Q1036-E1040 PolarHBondContact NE2-OE1 3.45Å; Q1036-E1040 WeakPolarHBondContact O-CB 3.29Å; Q1036-E1040 VanDerWaalsContact O-CG 3.32Å; Q1036-E1040 WeakPolarHBondContact O-CG 3.29Å; Q1036-E1040 PolarHBondContact O-N 2.89Å |
| 1037 | F | 85.1 | Confident | 84 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68 | -31.7 | 176.5 | -77.7 | -59.2 | 0 | 0 | 0 | 113.3 | Y1011 L1033 A1034 G1041 N1042 Q1045 A1046 Y1049 | Y1011-F1037 HydrophobicContact CD2-CE2 4Å; Y1011-F1037 AromaticContact CD2-CZ 3.61Å; Y1011-F1037 HydrophobicContact CD2-CZ 3.61Å; Y1011-F1037 HydrophobicContact CE2-CE1 4.32Å; Y1011-F1037 HydrophobicContact CE2-CE2 4.1Å; Y1011-F1037 AromaticContact CE2-CZ 3.47Å; Y1011-F1037 HydrophobicContact CE2-CZ 3.47Å; Y1011-F1037 VanDerWaalsContact CE2-CZ 3.47Å; L1033-F1037 HydrophobicContact CB-CD2 4.4Å; L1033-F1037 HydrophobicContact CB-CE2 4.45Å; L1033-F1037 HydrophobicContact CD2-CE2 4.26Å; L1033-F1037 WeakPolarHBondContact O-CB 3.34Å; L1033-F1037 WeakPolarHBondContact O-CD2 3.42Å; L1033-F1037 PolarHBondContact O-N 3.02Å; A1034-F1037 PolarHBondContact O-N 3.01Å; F1037-G1041 PolarHBondContact O-N 3.34Å; F1037-G1041 VanDerWaalsContact O-N 3.16Å; F1037-N1042 HydrophobicContact CB-CB 4.41Å; F1037-N1042 HydrophobicContact CD1-CB 3.89Å; F1037-N1042 CarbonylContact O-C 2.84Å; F1037-N1042 WeakPolarHBondContact O-CA 3.21Å; F1037-N1042 PolarHBondContact O-N 3.03Å; F1037-Q1045 HydrophobicContact CB-CB 4.27Å; F1037-Q1045 HydrophobicContact CD1-CB 4.06Å; F1037-Q1045 HydrophobicContact CD2-CB 4Å; F1037-Q1045 HydrophobicContact CE1-CB 4.41Å; F1037-Q1045 HydrophobicContact CE2-CB 4.39Å; F1037-Q1045 HydrophobicContact CG-CB 3.83Å; F1037-A1046 HydrophobicContact CB-CB 3.98Å; F1037-Y1049 AromaticContact CD2-CD2 3.57Å; F1037-Y1049 HydrophobicContact CD2-CD2 3.57Å; F1037-Y1049 AromaticContact CD2-CE2 3.48Å; F1037-Y1049 HydrophobicContact CD2-CE2 3.48Å; F1037-Y1049 VanDerWaalsContact CD2-CE2 3.48Å; F1037-Y1049 AromaticContact CE2-CD2 3.88Å; F1037-Y1049 HydrophobicContact CE2-CD2 3.88Å; F1037-Y1049 AromaticContact CE2-CE2 3.28Å; F1037-Y1049 HydrophobicContact CE2-CE2 3.28Å; F1037-Y1049 HydrophobicContact CZ-CE2 4.33Å |
| 1038 | Q | 84.9 | Confident | 84.1 | Confident | 71 Ų | 71 | 62.3 Ų | 62.3 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 171.3 | -176.7 | 178.6 | -6.9 | 0 | 0 | 110.8 | A1034 E1035 Q1036 G1041 A1046 Y1050 M1062 | A1034-Q1038 WeakPolarHBondContact O-CB 3.18Å; A1034-Q1038 PolarHBondContact O-N 2.68Å; E1035-Q1038 PolarHBondContact O-N 3.09Å; Q1036-Q1038 VanDerWaalsContact C-N 3.34Å; Q1036-Q1038 PolarHBondContact O-N 3.19Å; Q1038-G1041 PolarHBondContact O-N 3.5Å; Q1038-G1041 VanDerWaalsContact O-N 3.16Å; Q1038-A1046 HydrophobicContact CB-CB 4.16Å; Q1038-Y1050 PolarHBondContact OE1-OH 3.01Å; Q1038-M1062 HydrophobicContact CG-CG 4.25Å; Q1038-M1062 HydrophobicContact CG-SD 4.28Å |
| 1039 | S | 84.4 | Confident | 84.2 | Confident | 99 Ų | 99 | 56.8 Ų | 56.8 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -69.1 | -33.5 | 177.5 | 77 | 0 | 0 | 0 | 0 | 113 | E1035 Q1036 G1041 | E1035-S1039 WeakPolarHBondContact O-CB 3.42Å; E1035-S1039 PolarHBondContact O-N 2.96Å; E1035-S1039 PolarHBondContact O-OG 3.17Å; Q1036-S1039 PolarHBondContact O-N 2.99Å; Q1036-S1039 PolarHBondContact O-OG 3.29Å; S1039-G1041 PolarHBondContact O-N 3.07Å |
| 1040 | E | 82.3 | Confident | 84.4 | Confident | 92 Ų | 92 | 55.9 Ų | 55.9 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -6.5 | 173.3 | -70.8 | 178.6 | -171.3 | 0 | 0 | 112.4 | Q1036 N1042 | Q1036-E1040 PolarHBondContact NE2-OE1 3.45Å; Q1036-E1040 WeakPolarHBondContact O-CB 3.29Å; Q1036-E1040 VanDerWaalsContact O-CG 3.32Å; Q1036-E1040 WeakPolarHBondContact O-CG 3.29Å; Q1036-E1040 PolarHBondContact O-N 2.89Å; E1040-N1042 VanDerWaalsContact C-N 3.3Å; E1040-N1042 PolarHBondContact O-N 3.28Å |
| 1041 | G | 77.6 | Confident | 84.2 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 54% | 0.536 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 5.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1037 Q1038 S1039 L1043 | F1037-G1041 PolarHBondContact O-N 3.34Å; F1037-G1041 VanDerWaalsContact O-N 3.16Å; Q1038-G1041 PolarHBondContact O-N 3.5Å; Q1038-G1041 VanDerWaalsContact O-N 3.16Å; S1039-G1041 PolarHBondContact O-N 3.07Å; G1041-L1043 VanDerWaalsContact C-N 3.29Å; G1041-L1043 PolarHBondContact O-N 3.43Å |
| 1042 | N | 82.1 | Confident | 84 | Confident | 63 Ų | 63 | 57.9 Ų | 57.9 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | trans | -84 | 71.1 | 175.7 | -165.6 | -4.3 | 0 | 0 | 0 | 111.8 | F1037 E1040 K1044 Q1045 A1046 | F1037-N1042 HydrophobicContact CB-CB 4.41Å; F1037-N1042 HydrophobicContact CD1-CB 3.89Å; F1037-N1042 CarbonylContact O-C 2.84Å; F1037-N1042 WeakPolarHBondContact O-CA 3.21Å; F1037-N1042 PolarHBondContact O-N 3.03Å; E1040-N1042 VanDerWaalsContact C-N 3.3Å; E1040-N1042 PolarHBondContact O-N 3.28Å; N1042-K1044 PolarHBondContact O-N 2.78Å; N1042-K1044 VanDerWaalsContact O-N 3.13Å; N1042-Q1045 VanDerWaalsContact ND2-CD 3.28Å; N1042-Q1045 PolarHBondContact ND2-OE1 3.17Å; N1042-Q1045 PolarHBondContact O-N 3.4Å; N1042-A1046 PolarHBondContact O-N 3.44Å | ||
| 1043 | L | 83.5 | Confident | 83.8 | Confident | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -30.9 | -173.3 | -52.9 | 178 | 0 | 0 | 0 | 113.9 | G1041 A1046 E1047 M1062 Y1063 I1066 | G1041-L1043 VanDerWaalsContact C-N 3.29Å; G1041-L1043 PolarHBondContact O-N 3.43Å; L1043-A1046 PolarHBondContact O-N 3.43Å; L1043-E1047 WeakPolarHBondContact O-CB 3.35Å; L1043-E1047 PolarHBondContact O-N 3.18Å; L1043-M1062 HydrophobicContact CB-CE 4Å; L1043-M1062 HydrophobicContact CB-SD 4.15Å; L1043-M1062 HydrophobicContact CD2-CG 3.95Å; L1043-M1062 HydrophobicContact CD2-SD 3.78Å; L1043-M1062 VanDerWaalsContact O-CE 3.26Å; L1043-M1062 WeakPolarHBondContact O-CE 3.34Å; L1043-Y1063 HydrophobicContact CB-CE1 3.88Å; L1043-Y1063 HydrophobicContact CD1-CE1 4.22Å; L1043-Y1063 PolarHBondContact O-OH 3.14Å; L1043-I1066 HydrophobicContact CD1-CD1 3.49Å; L1043-I1066 VanDerWaalsContact CD1-CD1 3.49Å; L1043-I1066 HydrophobicContact CD1-CG2 4.14Å; L1043-I1066 HydrophobicContact CD2-CD1 3.31Å; L1043-I1066 HydrophobicContact CG-CD1 4.02Å |
| 1044 | K | 82.4 | Confident | 83.4 | Confident | 141 Ų | 141 | 61.3 Ų | 61.3 | 61% | 0.613 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -71.8 | -40.9 | -179 | -73 | -173.2 | 176.7 | -178.1 | 0 | 112.5 | N1042 A1046 E1047 Q1048 | N1042-K1044 PolarHBondContact O-N 2.78Å; N1042-K1044 VanDerWaalsContact O-N 3.13Å; K1044-A1046 VanDerWaalsContact C-N 3.33Å; K1044-E1047 PolarHBondContact O-N 2.72Å; K1044-Q1048 PolarHBondContact O-N 2.84Å; K1044-Q1048 VanDerWaalsContact O-N 3.11Å |
| 1045 | Q | 80.8 | Confident | 83.3 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 35% | 0.346 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.6 | -36.6 | 174.2 | -75 | -173.7 | -19.5 | 0 | 0 | 110.4 | F1037 N1042 Q1048 Y1049 | F1037-Q1045 HydrophobicContact CB-CB 4.27Å; F1037-Q1045 HydrophobicContact CD1-CB 4.06Å; F1037-Q1045 HydrophobicContact CD2-CB 4Å; F1037-Q1045 HydrophobicContact CE1-CB 4.41Å; F1037-Q1045 HydrophobicContact CE2-CB 4.39Å; F1037-Q1045 HydrophobicContact CG-CB 3.83Å; N1042-Q1045 VanDerWaalsContact ND2-CD 3.28Å; N1042-Q1045 PolarHBondContact ND2-OE1 3.17Å; N1042-Q1045 PolarHBondContact O-N 3.4Å; Q1045-Q1048 PolarHBondContact O-N 2.96Å; Q1045-Y1049 HydrophobicContact CB-CD2 4.48Å; Q1045-Y1049 HydrophobicContact CB-CE2 4.31Å; Q1045-Y1049 WeakPolarHBondContact O-CD2 3.4Å; Q1045-Y1049 PolarHBondContact O-N 3.34Å |
| 1046 | A | 85.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1034 F1037 Q1038 N1042 L1043 K1044 Q1048 Y1049 Y1050 M1062 | A1034-A1046 WeakPolarHBondContact O-CB 3.43Å; F1037-A1046 HydrophobicContact CB-CB 3.98Å; Q1038-A1046 HydrophobicContact CB-CB 4.16Å; N1042-A1046 PolarHBondContact O-N 3.44Å; L1043-A1046 PolarHBondContact O-N 3.43Å; K1044-A1046 VanDerWaalsContact C-N 3.33Å; A1046-Q1048 VanDerWaalsContact C-N 3.32Å; A1046-Q1048 PolarHBondContact O-N 2.53Å; A1046-Y1049 PolarHBondContact O-N 2.77Å; A1046-Y1050 HydrophobicContact CB-CD2 4.28Å; A1046-Y1050 HydrophobicContact CB-CE2 4.21Å; A1046-Y1050 WeakPolarHBondContact O-CB 3.31Å; A1046-Y1050 WeakPolarHBondContact O-CD2 3.37Å; A1046-Y1050 PolarHBondContact O-N 3.25Å; A1046-M1062 HydrophobicContact CB-CE 4.5Å; A1046-M1062 HydrophobicContact CB-SD 3.7Å |
| 1047 | E | 84.6 | Confident | 83 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -53.2 | -49.7 | 173.6 | 179.9 | -169 | 153.8 | 0 | 0 | 110.7 | L1043 K1044 Y1049 Y1050 L1051 A1059 M1062 Y1063 R1074 V1075 | L1043-E1047 WeakPolarHBondContact O-CB 3.35Å; L1043-E1047 PolarHBondContact O-N 3.18Å; K1044-E1047 PolarHBondContact O-N 2.72Å; E1047-Y1049 PolarHBondContact O-N 2.85Å; E1047-Y1050 PolarHBondContact O-N 3.41Å; E1047-L1051 HydrophobicContact CG-CD1 3.92Å; E1047-L1051 HydrophobicContact CG-CG 4.47Å; E1047-L1051 WeakPolarHBondContact O-CB 3.46Å; E1047-L1051 VanDerWaalsContact O-CG 3.23Å; E1047-L1051 WeakPolarHBondContact O-CG 3.34Å; E1047-L1051 PolarHBondContact O-N 2.93Å; E1047-A1059 HydrophobicContact CG-CB 4.48Å; E1047-M1062 HydrophobicContact CB-CE 4.22Å; E1047-Y1063 HydrophobicContact CB-CE2 3.95Å; E1047-Y1063 HydrophobicContact CG-CE2 3.95Å; E1047-Y1063 WeakPolarHBondContact OE2-CE2 3.34Å; E1047-Y1063 PolarHBondContact OE2-OH 3.17Å; E1047-R1074 IonicContact OE2-CZ 2.7Å; E1047-R1074 IonicContact OE2-NH2 3.8Å; E1047-R1074 PolarHBondContact OE2-NH2 2.97Å; E1047-V1075 VanDerWaalsContact CD-CG2 3.4Å; E1047-V1075 HydrophobicContact CG-CG2 3.92Å; E1047-V1075 WeakPolarHBondContact OE1-CG2 3.28Å |
| 1048 | Q | 83.8 | Confident | 82.9 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | -179.5 | -173.8 | -178.9 | -11.1 | 0 | 0 | 111.8 | K1044 Q1045 A1046 L1051 E1052 | K1044-Q1048 PolarHBondContact O-N 2.84Å; K1044-Q1048 VanDerWaalsContact O-N 3.11Å; Q1045-Q1048 PolarHBondContact O-N 2.96Å; A1046-Q1048 VanDerWaalsContact C-N 3.32Å; A1046-Q1048 PolarHBondContact O-N 2.53Å; Q1048-L1051 PolarHBondContact O-N 2.83Å; Q1048-E1052 PolarHBondContact NE2-OE1 2.91Å; Q1048-E1052 WeakPolarHBondContact O-CG 3.26Å; Q1048-E1052 PolarHBondContact O-N 3.41Å |
| 1049 | Y | 86.5 | Confident | 82.8 | Confident | 22 Ų | 22 | 64 Ų | 64 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.2 | -31.9 | -178.9 | -68 | -57.4 | 0 | 0 | 0 | 113.1 | L1015 Y1030 L1033 F1037 Q1045 A1046 E1047 E1052 A1053 | L1015-Y1049 HydrophobicContact CD1-CE1 3.66Å; Y1030-Y1049 AromaticContact CD1-CD1 3.6Å; Y1030-Y1049 HydrophobicContact CD1-CD1 3.6Å; Y1030-Y1049 HydrophobicContact CD1-CE1 4.14Å; Y1030-Y1049 AromaticContact CE1-CD1 3.96Å; Y1030-Y1049 HydrophobicContact CE1-CD1 3.96Å; Y1030-Y1049 HydrophobicContact CE1-CE1 4.18Å; L1033-Y1049 HydrophobicContact CB-CD2 4.05Å; L1033-Y1049 HydrophobicContact CB-CE2 4.32Å; L1033-Y1049 HydrophobicContact CB-CG 4.16Å; L1033-Y1049 HydrophobicContact CD1-CE1 4.14Å; F1037-Y1049 AromaticContact CD2-CD2 3.57Å; F1037-Y1049 HydrophobicContact CD2-CD2 3.57Å; F1037-Y1049 AromaticContact CD2-CE2 3.48Å; F1037-Y1049 HydrophobicContact CD2-CE2 3.48Å; F1037-Y1049 VanDerWaalsContact CD2-CE2 3.48Å; F1037-Y1049 AromaticContact CE2-CD2 3.88Å; F1037-Y1049 HydrophobicContact CE2-CD2 3.88Å; F1037-Y1049 AromaticContact CE2-CE2 3.28Å; F1037-Y1049 HydrophobicContact CE2-CE2 3.28Å; F1037-Y1049 HydrophobicContact CZ-CE2 4.33Å; Q1045-Y1049 HydrophobicContact CB-CD2 4.48Å; Q1045-Y1049 HydrophobicContact CB-CE2 4.31Å; Q1045-Y1049 WeakPolarHBondContact O-CD2 3.4Å; Q1045-Y1049 PolarHBondContact O-N 3.34Å; A1046-Y1049 PolarHBondContact O-N 2.77Å; E1047-Y1049 PolarHBondContact O-N 2.85Å; Y1049-E1052 PolarHBondContact O-N 3.37Å; Y1049-A1053 VanDerWaalsContact O-CB 3.3Å; Y1049-A1053 WeakPolarHBondContact O-CB 3.21Å; Y1049-A1053 PolarHBondContact O-N 2.79Å |
| 1050 | Y | 87.4 | Confident | 82.7 | Confident | 10 Ų | 10 | 60 Ų | 60 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 170.8 | -82 | -52.6 | 0 | 0 | 0 | 112 | L1031 A1034 Q1038 A1046 E1047 A1053 K1054 D1055 M1062 | L1031-Y1050 HydrophobicContact CD2-CE1 4.3Å; A1034-Y1050 HydrophobicContact CB-CD1 3.68Å; A1034-Y1050 HydrophobicContact CB-CD2 3.93Å; A1034-Y1050 HydrophobicContact CB-CE1 3.66Å; A1034-Y1050 HydrophobicContact CB-CE2 3.93Å; A1034-Y1050 HydrophobicContact CB-CG 3.79Å; Q1038-Y1050 PolarHBondContact OE1-OH 3.01Å; A1046-Y1050 HydrophobicContact CB-CD2 4.28Å; A1046-Y1050 HydrophobicContact CB-CE2 4.21Å; A1046-Y1050 WeakPolarHBondContact O-CB 3.31Å; A1046-Y1050 WeakPolarHBondContact O-CD2 3.37Å; A1046-Y1050 PolarHBondContact O-N 3.25Å; E1047-Y1050 PolarHBondContact O-N 3.41Å; Y1050-A1053 CarbonylContact O-C 3.56Å; Y1050-A1053 PolarHBondContact O-N 2.83Å; Y1050-K1054 PolarHBondContact O-N 2.77Å; Y1050-D1055 PolarHBondContact O-N 2.94Å; Y1050-M1062 HydrophobicContact CD2-SD 4.5Å; Y1050-M1062 HydrophobicContact CE2-SD 4.29Å |
| 1051 | L | 83.5 | Confident | 82.9 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 33% | 0.325 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 175.9 | -68.7 | 174.2 | 0 | 0 | 0 | 111.8 | E1047 Q1048 K1054 W1056 V1075 | E1047-L1051 HydrophobicContact CG-CD1 3.92Å; E1047-L1051 HydrophobicContact CG-CG 4.47Å; E1047-L1051 WeakPolarHBondContact O-CB 3.46Å; E1047-L1051 VanDerWaalsContact O-CG 3.23Å; E1047-L1051 WeakPolarHBondContact O-CG 3.34Å; E1047-L1051 PolarHBondContact O-N 2.93Å; Q1048-L1051 PolarHBondContact O-N 2.83Å; L1051-K1054 PolarHBondContact O-N 2.8Å; L1051-K1054 VanDerWaalsContact O-N 3.09Å; L1051-W1056 HydrophobicContact CD2-CB 3.75Å; L1051-V1075 HydrophobicContact CD2-CG1 4.26Å |
| 1052 | E | 81.9 | Confident | 83.3 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 36% | 0.36 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67 | -34.9 | 173.9 | -73.5 | -177.6 | -150.9 | 0 | 0 | 112.1 | Y1030 Q1048 Y1049 K1054 | Y1030-E1052 HydrophobicContact CD1-CB 4.28Å; Y1030-E1052 HydrophobicContact CE1-CB 4.16Å; Y1030-E1052 WeakPolarHBondContact CE1-OE2 3.4Å; Y1030-E1052 HydrophobicContact CE2-CB 4.44Å; Y1030-E1052 HydrophobicContact CG-CB 4.43Å; Y1030-E1052 PolarHBondContact OH-OE2 2.71Å; Q1048-E1052 PolarHBondContact NE2-OE1 2.91Å; Q1048-E1052 WeakPolarHBondContact O-CG 3.26Å; Q1048-E1052 PolarHBondContact O-N 3.41Å; Y1049-E1052 PolarHBondContact O-N 3.37Å; E1052-K1054 PolarHBondContact O-N 2.84Å |
| 1053 | A | 80.9 | Confident | 83.4 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 2.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1031 Y1049 Y1050 D1055 | L1031-A1053 HydrophobicContact CG-CB 4.27Å; Y1049-A1053 VanDerWaalsContact O-CB 3.3Å; Y1049-A1053 WeakPolarHBondContact O-CB 3.21Å; Y1049-A1053 PolarHBondContact O-N 2.79Å; Y1050-A1053 CarbonylContact O-C 3.56Å; Y1050-A1053 PolarHBondContact O-N 2.83Å; A1053-D1055 PolarHBondContact O-N 3.44Å |
| 1054 | K | 78.2 | Confident | 83.5 | Confident | 184 Ų | 184 | 57 Ų | 57 | 80% | 0.8 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 19.5 | -177.1 | -56.8 | 178 | -179.6 | 172.8 | 0 | 115.3 | Y1050 L1051 E1052 | Y1050-K1054 PolarHBondContact O-N 2.77Å; L1051-K1054 PolarHBondContact O-N 2.8Å; L1051-K1054 VanDerWaalsContact O-N 3.09Å; E1052-K1054 PolarHBondContact O-N 2.84Å |
| 1055 | D | 82.5 | Confident | 83.5 | Confident | 50 Ų | 50 | 54.8 Ų | 54.8 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | trans | -105.8 | 65.5 | 177.9 | -167.7 | 5.9 | 0 | 0 | 0 | 112.2 | Y1050 A1053 K1057 S1058 A1059 | Y1050-D1055 PolarHBondContact O-N 2.94Å; A1053-D1055 PolarHBondContact O-N 3.44Å; D1055-K1057 PolarHBondContact O-N 2.84Å; D1055-S1058 PolarHBondContact O-N 2.97Å; D1055-S1058 PolarHBondContact OD1-N 2.78Å; D1055-S1058 PolarHBondContact OD1-OG 3.19Å; D1055-S1058 VanDerWaalsContact OD2-CB 3.29Å; D1055-S1058 WeakPolarHBondContact OD2-CB 3.27Å; D1055-S1058 PolarHBondContact OD2-OG 3.42Å; D1055-A1059 PolarHBondContact O-N 2.97Å | ||
| 1056 | W | 82.4 | Confident | 83.5 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 28% | 0.284 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.6 | -23.3 | 177.3 | 58.8 | -98.2 | 0 | 0 | 0 | 113 | L1051 S1058 A1059 V1060 L1085 | L1051-W1056 HydrophobicContact CD2-CB 3.75Å; W1056-S1058 VanDerWaalsContact C-N 3.34Å; W1056-A1059 PolarHBondContact O-N 2.79Å; W1056-V1060 WeakPolarHBondContact O-CG2 3.34Å; W1056-V1060 PolarHBondContact O-N 2.83Å; W1056-L1085 HydrophobicContact CE3-CD2 4.23Å; W1056-L1085 HydrophobicContact CH2-CD1 3.42Å; W1056-L1085 VanDerWaalsContact CH2-CD1 3.42Å; W1056-L1085 HydrophobicContact CH2-CD2 4.27Å; W1056-L1085 HydrophobicContact CH2-CG 4.45Å; W1056-L1085 HydrophobicContact CZ2-CD1 4.17Å; W1056-L1085 HydrophobicContact CZ3-CD1 3.7Å; W1056-L1085 HydrophobicContact CZ3-CD2 3.64Å; W1056-L1085 HydrophobicContact CZ3-CG 4.29Å |
| 1057 | K | 83.1 | Confident | 83.2 | Confident | 134 Ų | 134 | 59.6 Ų | 59.6 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 176.4 | -70.4 | 178.8 | -178 | 175.4 | 0 | 110.4 | D1055 A1059 V1060 S1061 | D1055-K1057 PolarHBondContact O-N 2.84Å; K1057-A1059 VanDerWaalsContact C-N 3.34Å; K1057-V1060 PolarHBondContact O-N 2.78Å; K1057-S1061 WeakPolarHBondContact O-CB 3.47Å; K1057-S1061 PolarHBondContact O-N 2.97Å |
| 1058 | S | 84.2 | Confident | 83.1 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 27% | 0.266 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 174.1 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | D1055 W1056 M1062 | D1055-S1058 PolarHBondContact O-N 2.97Å; D1055-S1058 PolarHBondContact OD1-N 2.78Å; D1055-S1058 PolarHBondContact OD1-OG 3.19Å; D1055-S1058 VanDerWaalsContact OD2-CB 3.29Å; D1055-S1058 WeakPolarHBondContact OD2-CB 3.27Å; D1055-S1058 PolarHBondContact OD2-OG 3.42Å; W1056-S1058 VanDerWaalsContact C-N 3.34Å; S1058-M1062 WeakPolarHBondContact O-CB 3.44Å; S1058-M1062 PolarHBondContact O-N 2.94Å |
| 1059 | A | 82.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1047 D1055 W1056 K1057 M1062 Y1063 V1075 | E1047-A1059 HydrophobicContact CG-CB 4.48Å; D1055-A1059 PolarHBondContact O-N 2.97Å; W1056-A1059 PolarHBondContact O-N 2.79Å; K1057-A1059 VanDerWaalsContact C-N 3.34Å; A1059-M1062 PolarHBondContact O-N 3.29Å; A1059-Y1063 VanDerWaalsContact O-CD2 3.3Å; A1059-Y1063 WeakPolarHBondContact O-CD2 3.29Å; A1059-Y1063 PolarHBondContact O-N 3.37Å; A1059-Y1063 VanDerWaalsContact O-N 3.16Å; A1059-V1075 HydrophobicContact CB-CG1 4.2Å |
| 1060 | V | 82.6 | Confident | 83 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 10% | 0.103 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 176.5 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | W1056 K1057 Y1063 R1064 A1072 V1075 V1089 | W1056-V1060 WeakPolarHBondContact O-CG2 3.34Å; W1056-V1060 PolarHBondContact O-N 2.83Å; K1057-V1060 PolarHBondContact O-N 2.78Å; V1060-Y1063 PolarHBondContact O-N 3.2Å; V1060-R1064 VanDerWaalsContact O-CB 3.27Å; V1060-R1064 WeakPolarHBondContact O-CB 3.33Å; V1060-R1064 PolarHBondContact O-N 2.87Å; V1060-A1072 HydrophobicContact CG1-CB 4.46Å; V1060-V1075 HydrophobicContact CG2-CB 4.14Å; V1060-V1075 HydrophobicContact CG2-CG1 3.92Å; V1060-V1089 HydrophobicContact CG1-CG2 4.12Å |
| 1061 | S | 84.9 | Confident | 82.8 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 30% | 0.301 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.6 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | K1057 Y1063 R1064 T1065 | K1057-S1061 WeakPolarHBondContact O-CB 3.47Å; K1057-S1061 PolarHBondContact O-N 2.97Å; S1061-Y1063 PolarHBondContact O-N 2.82Å; S1061-R1064 PolarHBondContact O-N 2.92Å; S1061-T1065 WeakPolarHBondContact O-CG2 3.28Å; S1061-T1065 PolarHBondContact O-N 3.5Å; S1061-T1065 PolarHBondContact O-OG1 3.27Å |
| 1062 | M | 85.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.1 | -50.7 | 174.9 | 174.3 | -167 | 69.5 | 0 | 0 | 110.9 | Q1038 L1043 A1046 E1047 Y1050 S1058 A1059 R1064 T1065 I1066 | Q1038-M1062 HydrophobicContact CG-CG 4.25Å; Q1038-M1062 HydrophobicContact CG-SD 4.28Å; L1043-M1062 HydrophobicContact CB-CE 4Å; L1043-M1062 HydrophobicContact CB-SD 4.15Å; L1043-M1062 HydrophobicContact CD2-CG 3.95Å; L1043-M1062 HydrophobicContact CD2-SD 3.78Å; L1043-M1062 VanDerWaalsContact O-CE 3.26Å; L1043-M1062 WeakPolarHBondContact O-CE 3.34Å; A1046-M1062 HydrophobicContact CB-CE 4.5Å; A1046-M1062 HydrophobicContact CB-SD 3.7Å; E1047-M1062 HydrophobicContact CB-CE 4.22Å; Y1050-M1062 HydrophobicContact CD2-SD 4.5Å; Y1050-M1062 HydrophobicContact CE2-SD 4.29Å; S1058-M1062 WeakPolarHBondContact O-CB 3.44Å; S1058-M1062 PolarHBondContact O-N 2.94Å; A1059-M1062 PolarHBondContact O-N 3.29Å; M1062-R1064 PolarHBondContact O-N 2.66Å; M1062-T1065 WeakPolarHBondContact CA-OG1 3.45Å; M1062-T1065 PolarHBondContact O-N 3Å; M1062-T1065 PolarHBondContact O-OG1 3.43Å; M1062-I1066 HydrophobicContact CG-CD1 4.18Å; M1062-I1066 WeakPolarHBondContact O-CD1 3.37Å; M1062-I1066 WeakPolarHBondContact O-CG1 3.15Å; M1062-I1066 PolarHBondContact O-N 2.88Å |
| 1063 | Y | 85.8 | Confident | 82.9 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 177.9 | -75.3 | -56.3 | 0 | 0 | 0 | 113.2 | L1043 E1047 A1059 V1060 S1061 I1066 D1067 R1068 D1071 V1075 | L1043-Y1063 HydrophobicContact CB-CE1 3.88Å; L1043-Y1063 HydrophobicContact CD1-CE1 4.22Å; L1043-Y1063 PolarHBondContact O-OH 3.14Å; E1047-Y1063 HydrophobicContact CB-CE2 3.95Å; E1047-Y1063 HydrophobicContact CG-CE2 3.95Å; E1047-Y1063 WeakPolarHBondContact OE2-CE2 3.34Å; E1047-Y1063 PolarHBondContact OE2-OH 3.17Å; A1059-Y1063 VanDerWaalsContact O-CD2 3.3Å; A1059-Y1063 WeakPolarHBondContact O-CD2 3.29Å; A1059-Y1063 PolarHBondContact O-N 3.37Å; A1059-Y1063 VanDerWaalsContact O-N 3.16Å; V1060-Y1063 PolarHBondContact O-N 3.2Å; S1061-Y1063 PolarHBondContact O-N 2.82Å; Y1063-I1066 PolarHBondContact O-N 2.87Å; Y1063-D1067 PolarHBondContact O-N 3.29Å; Y1063-R1068 HydrophobicContact CD1-CB 3.96Å; Y1063-R1068 PolarHBondContact O-N 3.36Å; Y1063-D1071 HydrophobicContact CD1-CB 3.48Å; Y1063-D1071 VanDerWaalsContact CD1-CB 3.48Å; Y1063-D1071 HydrophobicContact CD2-CB 4.05Å; Y1063-D1071 HydrophobicContact CE1-CB 3.62Å; Y1063-D1071 HydrophobicContact CE2-CB 4.16Å; Y1063-D1071 HydrophobicContact CG-CB 3.72Å; Y1063-V1075 HydrophobicContact CD2-CG2 3.79Å; Y1063-V1075 HydrophobicContact CE2-CG2 3.7Å |
| 1064 | R | 84.5 | Confident | 83.1 | Confident | 114 Ų | 114 | 64.4 Ų | 64.4 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 174.8 | -169.9 | -179.7 | 66 | 159.2 | 0.9 | 112.2 | V1060 S1061 M1062 I1066 D1067 W1069 | V1060-R1064 VanDerWaalsContact O-CB 3.27Å; V1060-R1064 WeakPolarHBondContact O-CB 3.33Å; V1060-R1064 PolarHBondContact O-N 2.87Å; S1061-R1064 PolarHBondContact O-N 2.92Å; M1062-R1064 PolarHBondContact O-N 2.66Å; R1064-I1066 PolarHBondContact O-N 3.15Å; R1064-D1067 PolarHBondContact O-N 3.16Å; R1064-W1069 HydrophobicContact CG-CH2 3.57Å; R1064-W1069 HydrophobicContact CG-CZ2 3.99Å; R1064-W1069 HydrophobicContact CG-CZ3 3.86Å |
| 1065 | T | 82.4 | Confident | 83.2 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 57% | 0.571 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -69.7 | -18.8 | 178.6 | 47 | 0 | 0 | 0 | 0 | 113.7 | S1061 M1062 | S1061-T1065 WeakPolarHBondContact O-CG2 3.28Å; S1061-T1065 PolarHBondContact O-N 3.5Å; S1061-T1065 PolarHBondContact O-OG1 3.27Å; M1062-T1065 WeakPolarHBondContact CA-OG1 3.45Å; M1062-T1065 PolarHBondContact O-N 3Å; M1062-T1065 PolarHBondContact O-OG1 3.43Å |
| 1066 | I | 81.6 | Confident | 83.1 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 40% | 0.395 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 11.4 | -179.3 | -56.3 | 167.8 | 0 | 0 | 0 | 110.6 | L1043 M1062 Y1063 R1064 R1068 | L1043-I1066 HydrophobicContact CD1-CD1 3.49Å; L1043-I1066 VanDerWaalsContact CD1-CD1 3.49Å; L1043-I1066 HydrophobicContact CD1-CG2 4.14Å; L1043-I1066 HydrophobicContact CD2-CD1 3.31Å; L1043-I1066 HydrophobicContact CG-CD1 4.02Å; M1062-I1066 HydrophobicContact CG-CD1 4.18Å; M1062-I1066 WeakPolarHBondContact O-CD1 3.37Å; M1062-I1066 WeakPolarHBondContact O-CG1 3.15Å; M1062-I1066 PolarHBondContact O-N 2.88Å; Y1063-I1066 PolarHBondContact O-N 2.87Å; R1064-I1066 PolarHBondContact O-N 3.15Å; I1066-R1068 HydrophobicContact CG2-CG 4.31Å; I1066-R1068 PolarHBondContact O-N 3.4Å; I1066-R1068 VanDerWaalsContact O-N 3.08Å |
| 1067 | D | 78.9 | Confident | 82.9 | Confident | 98 Ų | 98 | 52.3 Ų | 52.3 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 24.5 | -177.1 | -72.9 | -35.3 | 0 | 0 | 0 | 114.8 | Y1063 R1064 W1069 H1096 | Y1063-D1067 PolarHBondContact O-N 3.29Å; R1064-D1067 PolarHBondContact O-N 3.16Å; D1067-W1069 VanDerWaalsContact C-N 3.3Å; D1067-W1069 VanDerWaalsContact O-CD1 3.3Å; D1067-W1069 PolarHBondContact O-N 3.21Å; D1067-W1069 PolarHBondContact OD1-NE1 2.95Å; D1067-H1096 IonicContact OD1-CD2 3.27Å; D1067-H1096 IonicContact OD1-CE1 3.99Å; D1067-H1096 IonicContact OD1-NE2 2.8Å; D1067-H1096 PolarHBondContact OD1-NE2 3.39Å |
| 1068 | R | 82.3 | Confident | 82.5 | Confident | 127 Ų | 127 | 49.2 Ų | 49.2 | 48% | 0.479 | 25% | 0.25 | S | C | . | . | trans | -91.6 | 66.2 | 173.4 | -69 | -162.8 | -177.6 | -158.5 | 2.4 | 110.9 | Y1063 I1066 E1070 D1071 A1072 | Y1063-R1068 HydrophobicContact CD1-CB 3.96Å; Y1063-R1068 PolarHBondContact O-N 3.36Å; I1066-R1068 HydrophobicContact CG2-CG 4.31Å; I1066-R1068 PolarHBondContact O-N 3.4Å; I1066-R1068 VanDerWaalsContact O-N 3.08Å; R1068-E1070 VanDerWaalsContact C-N 3.3Å; R1068-E1070 PolarHBondContact O-N 3.41Å; R1068-D1071 HydrophobicContact CB-CB 4.22Å; R1068-D1071 VanDerWaalsContact CD-OD2 3.31Å; R1068-D1071 WeakPolarHBondContact CD-OD2 3.41Å; R1068-D1071 IonicContact NH1-OD2 2.84Å; R1068-D1071 PolarHBondContact O-N 2.85Å; R1068-A1072 PolarHBondContact O-N 2.87Å | ||
| 1069 | W | 84.7 | Confident | 81.8 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -30.1 | -175.4 | -65.5 | 94 | 0 | 0 | 0 | 114.4 | R1064 D1067 A1072 Y1073 L1092 W1093 H1096 | R1064-W1069 HydrophobicContact CG-CH2 3.57Å; R1064-W1069 HydrophobicContact CG-CZ2 3.99Å; R1064-W1069 HydrophobicContact CG-CZ3 3.86Å; D1067-W1069 VanDerWaalsContact C-N 3.3Å; D1067-W1069 VanDerWaalsContact O-CD1 3.3Å; D1067-W1069 PolarHBondContact O-N 3.21Å; D1067-W1069 PolarHBondContact OD1-NE1 2.95Å; W1069-A1072 PolarHBondContact O-N 3.15Å; W1069-Y1073 VanDerWaalsContact O-CB 3.29Å; W1069-Y1073 WeakPolarHBondContact O-CB 3.45Å; W1069-Y1073 PolarHBondContact O-N 2.95Å; W1069-L1092 HydrophobicContact CH2-CB 4.4Å; W1069-L1092 HydrophobicContact CZ3-CB 3.94Å; W1069-W1093 HydrophobicContact CB-CB 4.17Å; W1069-W1093 HydrophobicContact CB-CD2 3.38Å; W1069-W1093 HydrophobicContact CB-CE3 4.1Å; W1069-W1093 HydrophobicContact CB-CG 3.37Å; W1069-W1093 HydrophobicContact CB-CZ2 4.13Å; W1069-W1093 VanDerWaalsContact CB-NE1 3.26Å; W1069-W1093 AromaticContact CD1-CD1 3.78Å; W1069-W1093 AromaticContact CD1-NE1 3.92Å; W1069-W1093 HydrophobicContact CD2-CB 4Å; W1069-W1093 AromaticContact CD2-CD1 3.68Å; W1069-W1093 AromaticContact CD2-CG 3.93Å; W1069-W1093 HydrophobicContact CD2-CG 3.93Å; W1069-W1093 HydrophobicContact CE3-CB 3.57Å; W1069-W1093 AromaticContact CE3-CG 4Å; W1069-W1093 HydrophobicContact CE3-CG 4Å; W1069-W1093 HydrophobicContact CG-CB 4.29Å; W1069-W1093 AromaticContact CG-CD1 3.26Å; W1069-W1093 HydrophobicContact CG-CD2 4.23Å; W1069-W1093 AromaticContact CG-CG 3.71Å; W1069-W1093 HydrophobicContact CG-CG 3.71Å; W1069-W1093 AromaticContact CG-NE1 3.59Å; W1069-W1093 HydrophobicContact CZ3-CB 4.22Å; W1069-H1096 AromaticContact CE2-CD2 3.74Å; W1069-H1096 AromaticContact CE2-CG 3.85Å; W1069-H1096 HydrophobicContact CH2-CB 3.91Å; W1069-H1096 HydrophobicContact CZ2-CB 3.44Å; W1069-H1096 VanDerWaalsContact CZ2-CB 3.44Å; W1069-H1096 AromaticContact CZ2-CD2 3.76Å; W1069-H1096 AromaticContact CZ2-CG 3.4Å; W1069-H1096 VanDerWaalsContact CZ2-CG 3.4Å; W1069-H1096 AromaticContact CZ2-ND1 3.92Å; W1069-H1096 AromaticContact NE1-CD2 3.36Å; W1069-H1096 PolarHBondContact NE1-CD2 3.37Å; W1069-H1096 AromaticContact NE1-CG 3.95Å; W1069-H1096 AromaticContact NE1-NE2 3.94Å |
| 1070 | E | 82.4 | Confident | 80.9 | Confident | 128 Ų | 128 | 55 Ų | 55 | 60% | 0.598 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 173.4 | -75.7 | -178.3 | 174 | 0 | 0 | 112 | R1068 Y1073 R1074 W1093 | R1068-E1070 VanDerWaalsContact C-N 3.3Å; R1068-E1070 PolarHBondContact O-N 3.41Å; E1070-Y1073 PolarHBondContact O-N 3.02Å; E1070-R1074 PolarHBondContact O-N 3.03Å; E1070-W1093 HydrophobicContact CB-CH2 4.31Å; E1070-W1093 HydrophobicContact CG-CH2 3.22Å; E1070-W1093 HydrophobicContact CG-CZ2 3.75Å; E1070-W1093 HydrophobicContact CG-CZ3 3.99Å |
| 1071 | D | 83.2 | Confident | 80.3 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 14% | 0.144 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 175.9 | -70 | -35.4 | 0 | 0 | 0 | 110 | Y1063 R1068 Y1073 R1074 V1075 | Y1063-D1071 HydrophobicContact CD1-CB 3.48Å; Y1063-D1071 VanDerWaalsContact CD1-CB 3.48Å; Y1063-D1071 HydrophobicContact CD2-CB 4.05Å; Y1063-D1071 HydrophobicContact CE1-CB 3.62Å; Y1063-D1071 HydrophobicContact CE2-CB 4.16Å; Y1063-D1071 HydrophobicContact CG-CB 3.72Å; R1068-D1071 HydrophobicContact CB-CB 4.22Å; R1068-D1071 VanDerWaalsContact CD-OD2 3.31Å; R1068-D1071 WeakPolarHBondContact CD-OD2 3.41Å; R1068-D1071 IonicContact NH1-OD2 2.84Å; R1068-D1071 PolarHBondContact O-N 2.85Å; D1071-Y1073 VanDerWaalsContact C-N 3.32Å; D1071-Y1073 PolarHBondContact O-N 3.47Å; D1071-R1074 WeakPolarHBondContact O-CA 3.36Å; D1071-R1074 WeakPolarHBondContact O-CB 3.31Å; D1071-R1074 PolarHBondContact O-N 2.87Å; D1071-R1074 VanDerWaalsContact O-N 3.08Å; D1071-R1074 IonicContact OD1-CZ 3.36Å; D1071-R1074 IonicContact OD1-NH1 3.54Å; D1071-R1074 PolarHBondContact OD1-NH1 3.47Å; D1071-R1074 IonicContact OD1-NH2 2.7Å; D1071-R1074 PolarHBondContact OD1-NH2 3.49Å; D1071-V1075 WeakPolarHBondContact O-CG2 3.39Å; D1071-V1075 PolarHBondContact O-N 2.62Å |
| 1072 | A | 83.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1060 R1068 W1069 R1074 V1075 A1076 V1089 | V1060-A1072 HydrophobicContact CG1-CB 4.46Å; R1068-A1072 PolarHBondContact O-N 2.87Å; W1069-A1072 PolarHBondContact O-N 3.15Å; A1072-R1074 VanDerWaalsContact C-N 3.33Å; A1072-V1075 PolarHBondContact O-N 3.36Å; A1072-A1076 WeakPolarHBondContact O-CB 3.35Å; A1072-A1076 PolarHBondContact O-N 3.13Å; A1072-V1089 HydrophobicContact CB-CG1 4.18Å |
| 1073 | Y | 83.7 | Confident | 78.6 | Confident | 24 Ų | 24 | 70 Ų | 70 | 9% | 0.094 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 177.1 | -177.8 | -100.6 | 0 | 0 | 0 | 112.1 | W1069 E1070 D1071 S1077 R1086 V1089 A1090 L1109 L1111 | W1069-Y1073 VanDerWaalsContact O-CB 3.29Å; W1069-Y1073 WeakPolarHBondContact O-CB 3.45Å; W1069-Y1073 PolarHBondContact O-N 2.95Å; E1070-Y1073 PolarHBondContact O-N 3.02Å; D1071-Y1073 VanDerWaalsContact C-N 3.32Å; D1071-Y1073 PolarHBondContact O-N 3.47Å; Y1073-S1077 VanDerWaalsContact O-CB 3.29Å; Y1073-S1077 WeakPolarHBondContact O-CB 3.24Å; Y1073-S1077 PolarHBondContact O-N 3.1Å; Y1073-S1077 PolarHBondContact O-OG 3.04Å; Y1073-R1086 HydrophobicContact CD2-CG 4.15Å; Y1073-R1086 HydrophobicContact CE1-CG 4.48Å; Y1073-R1086 HydrophobicContact CE2-CG 3.35Å; Y1073-R1086 VanDerWaalsContact CE2-O 3.29Å; Y1073-R1086 WeakPolarHBondContact CE2-O 3.28Å; Y1073-R1086 VanDerWaalsContact OH-CZ 3.32Å; Y1073-R1086 PolarHBondContact OH-NE 2.82Å; Y1073-R1086 PolarHBondContact OH-NH2 3.34Å; Y1073-R1086 VanDerWaalsContact OH-NH2 3.09Å; Y1073-V1089 HydrophobicContact CD2-CG1 4.43Å; Y1073-A1090 HydrophobicContact CD2-CB 3.96Å; Y1073-A1090 HydrophobicContact CE2-CB 3.54Å; Y1073-L1109 HydrophobicContact CE1-CD1 4.46Å; Y1073-L1109 HydrophobicContact CE1-CD2 3.96Å; Y1073-L1109 HydrophobicContact CE2-CD1 4.29Å; Y1073-L1111 HydrophobicContact CE2-CD1 4.47Å; Y1073-L1111 WeakPolarHBondContact OH-CD1 3.48Å |
| 1074 | R | 85.8 | Confident | 78 | Confident | 98 Ų | 98 | 74 Ų | 74 | 37% | 0.37 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.5 | -50.5 | 171.5 | -179.9 | -167.9 | 64.4 | -124.3 | -3.8 | 111.5 | E1047 E1070 D1071 A1072 A1076 S1077 S1078 | E1047-R1074 IonicContact OE2-CZ 2.7Å; E1047-R1074 IonicContact OE2-NH2 3.8Å; E1047-R1074 PolarHBondContact OE2-NH2 2.97Å; E1070-R1074 PolarHBondContact O-N 3.03Å; D1071-R1074 WeakPolarHBondContact O-CA 3.36Å; D1071-R1074 WeakPolarHBondContact O-CB 3.31Å; D1071-R1074 PolarHBondContact O-N 2.87Å; D1071-R1074 VanDerWaalsContact O-N 3.08Å; D1071-R1074 IonicContact OD1-CZ 3.36Å; D1071-R1074 IonicContact OD1-NH1 3.54Å; D1071-R1074 PolarHBondContact OD1-NH1 3.47Å; D1071-R1074 IonicContact OD1-NH2 2.7Å; D1071-R1074 PolarHBondContact OD1-NH2 3.49Å; A1072-R1074 VanDerWaalsContact C-N 3.33Å; R1074-A1076 VanDerWaalsContact C-N 3.26Å; R1074-A1076 PolarHBondContact O-N 3.03Å; R1074-S1077 CarbonylContact O-C 3.59Å; R1074-S1077 WeakPolarHBondContact O-CA 3.43Å; R1074-S1077 WeakPolarHBondContact O-CB 3.32Å; R1074-S1077 PolarHBondContact O-N 3.06Å; R1074-S1078 PolarHBondContact O-N 3.43Å; R1074-S1078 PolarHBondContact O-OG 2.94Å |
| 1075 | V | 81.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 179.5 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | E1047 L1051 A1059 V1060 Y1063 D1071 A1072 S1077 S1078 C1079 | E1047-V1075 VanDerWaalsContact CD-CG2 3.4Å; E1047-V1075 HydrophobicContact CG-CG2 3.92Å; E1047-V1075 WeakPolarHBondContact OE1-CG2 3.28Å; L1051-V1075 HydrophobicContact CD2-CG1 4.26Å; A1059-V1075 HydrophobicContact CB-CG1 4.2Å; V1060-V1075 HydrophobicContact CG2-CB 4.14Å; V1060-V1075 HydrophobicContact CG2-CG1 3.92Å; Y1063-V1075 HydrophobicContact CD2-CG2 3.79Å; Y1063-V1075 HydrophobicContact CE2-CG2 3.7Å; D1071-V1075 WeakPolarHBondContact O-CG2 3.39Å; D1071-V1075 PolarHBondContact O-N 2.62Å; A1072-V1075 PolarHBondContact O-N 3.36Å; V1075-S1077 VanDerWaalsContact C-N 3.32Å; V1075-S1077 PolarHBondContact O-N 3.42Å; V1075-S1078 PolarHBondContact O-N 3.47Å; V1075-S1078 PolarHBondContact O-OG 3.41Å; V1075-C1079 PolarHBondContact O-N 3.19Å; V1075-C1079 PolarHBondContact O-SG 3.05Å; V1075-C1079 VanDerWaalsContact O-SG 3.38Å |
| 1076 | A | 79.5 | Confident | 77.3 | Confident | 2 Ų | 2 | 70 Ų | 70 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.5 | -32.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1072 R1074 L1085 V1089 | A1072-A1076 WeakPolarHBondContact O-CB 3.35Å; A1072-A1076 PolarHBondContact O-N 3.13Å; R1074-A1076 VanDerWaalsContact C-N 3.26Å; R1074-A1076 PolarHBondContact O-N 3.03Å; A1076-L1085 HydrophobicContact CB-CD2 4.13Å; A1076-V1089 HydrophobicContact CB-CB 4.11Å; A1076-V1089 HydrophobicContact CB-CG2 3.69Å |
| 1077 | S | 77.6 | Confident | 77.2 | Confident | 53 Ų | 53 | 69.3 Ų | 69.3 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -76.6 | -24.1 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 113.6 | Y1073 R1074 V1075 | Y1073-S1077 VanDerWaalsContact O-CB 3.29Å; Y1073-S1077 WeakPolarHBondContact O-CB 3.24Å; Y1073-S1077 PolarHBondContact O-N 3.1Å; Y1073-S1077 PolarHBondContact O-OG 3.04Å; R1074-S1077 CarbonylContact O-C 3.59Å; R1074-S1077 WeakPolarHBondContact O-CA 3.43Å; R1074-S1077 WeakPolarHBondContact O-CB 3.32Å; R1074-S1077 PolarHBondContact O-N 3.06Å; V1075-S1077 VanDerWaalsContact C-N 3.32Å; V1075-S1077 PolarHBondContact O-N 3.42Å |
| 1078 | S | 75.2 | Confident | 77.2 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81.6 | -19.8 | 176.4 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | R1074 V1075 T1080 | R1074-S1078 PolarHBondContact O-N 3.43Å; R1074-S1078 PolarHBondContact O-OG 2.94Å; V1075-S1078 PolarHBondContact O-N 3.47Å; V1075-S1078 PolarHBondContact O-OG 3.41Å; S1078-T1080 PolarHBondContact O-N 2.97Å |
| 1079 | C | 70.5 | Confident | 77.3 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | trans | -75.2 | 91.8 | 173.1 | -68.2 | 0 | 0 | 0 | 0 | 110.4 | V1075 E1081 | V1075-C1079 PolarHBondContact O-N 3.19Å; V1075-C1079 PolarHBondContact O-SG 3.05Å; V1075-C1079 VanDerWaalsContact O-SG 3.38Å; C1079-E1081 PolarHBondContact O-N 3.07Å | ||
| 1080 | T | 64.1 | Low | 77.1 | Confident | 130 Ų | 130 | 62.2 Ų | 62.2 | 80% | 0.798 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -21.8 | -179.8 | 47.2 | 0 | 0 | 0 | 0 | 113.8 | S1078 Q1082 | S1078-T1080 PolarHBondContact O-N 2.97Å; T1080-Q1082 VanDerWaalsContact C-N 3.3Å; T1080-Q1082 PolarHBondContact O-N 3.5Å |
| 1081 | E | 68.7 | Low | 77.2 | Confident | 176 Ų | 176 | 56.6 Ų | 56.6 | 82% | 0.822 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27 | -177.5 | -65.4 | -174.7 | 173.5 | 0 | 0 | 113.5 | C1079 | C1079-E1081 PolarHBondContact O-N 3.07Š|
| 1082 | Q | 68 | Low | 77.1 | Confident | 109 Ų | 109 | 58.1 Ų | 58.1 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | trans | -139.2 | 85.1 | -177.9 | -65.1 | -164.7 | -5.9 | 0 | 0 | 111.9 | T1080 E1084 L1085 | T1080-Q1082 VanDerWaalsContact C-N 3.3Å; T1080-Q1082 PolarHBondContact O-N 3.5Å; Q1082-E1084 PolarHBondContact O-N 3.22Å; Q1082-L1085 HydrophobicContact CB-CB 4.31Å; Q1082-L1085 HydrophobicContact CB-CD1 4.11Å; Q1082-L1085 WeakPolarHBondContact O-CB 3.29Å; Q1082-L1085 PolarHBondContact O-N 3.42Å | ||
| 1083 | P | 67.8 | Low | 77.2 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 59% | 0.591 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -21.6 | -178.5 | 25.3 | -33.6 | 0 | 0 | 0 | 113.9 | L1085 R1086 | P1083-L1085 PolarHBondContact O-N 2.92Å; P1083-R1086 PolarHBondContact O-N 2.93Å |
| 1084 | E | 72.2 | Confident | 77.2 | Confident | 86 Ų | 86 | 58.2 Ų | 58.2 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -26.8 | 173.3 | -68.3 | -56.8 | 139.9 | 0 | 0 | 112.4 | Q1082 R1086 K1087 Q1088 Y1118 | Q1082-E1084 PolarHBondContact O-N 3.22Å; E1084-R1086 VanDerWaalsContact C-N 3.29Å; E1084-R1086 PolarHBondContact O-N 3.48Å; E1084-K1087 VanDerWaalsContact CD-NZ 3.32Å; E1084-K1087 WeakPolarHBondContact O-CB 3.5Å; E1084-K1087 PolarHBondContact O-N 3.4Å; E1084-K1087 IonicContact OE1-NZ 3.93Å; E1084-K1087 PolarHBondContact OE1-NZ 3.31Å; E1084-K1087 WeakPolarHBondContact OE2-CD 3.46Å; E1084-K1087 IonicContact OE2-NZ 3.28Å; E1084-K1087 PolarHBondContact OE2-NZ 2.86Å; E1084-K1087 VanDerWaalsContact OE2-NZ 3.17Å; E1084-Q1088 PolarHBondContact O-N 2.86Å; E1084-Y1118 PolarHBondContact OE2-OH 3.35Å |
| 1085 | L | 74.4 | Confident | 77 | Confident | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.5 | -33.8 | -177.2 | -137.2 | 129.6 | 0 | 0 | 0 | 112.1 | W1056 A1076 Q1082 P1083 Q1088 V1089 | W1056-L1085 HydrophobicContact CE3-CD2 4.23Å; W1056-L1085 HydrophobicContact CH2-CD1 3.42Å; W1056-L1085 VanDerWaalsContact CH2-CD1 3.42Å; W1056-L1085 HydrophobicContact CH2-CD2 4.27Å; W1056-L1085 HydrophobicContact CH2-CG 4.45Å; W1056-L1085 HydrophobicContact CZ2-CD1 4.17Å; W1056-L1085 HydrophobicContact CZ3-CD1 3.7Å; W1056-L1085 HydrophobicContact CZ3-CD2 3.64Å; W1056-L1085 HydrophobicContact CZ3-CG 4.29Å; A1076-L1085 HydrophobicContact CB-CD2 4.13Å; Q1082-L1085 HydrophobicContact CB-CB 4.31Å; Q1082-L1085 HydrophobicContact CB-CD1 4.11Å; Q1082-L1085 WeakPolarHBondContact O-CB 3.29Å; Q1082-L1085 PolarHBondContact O-N 3.42Å; P1083-L1085 PolarHBondContact O-N 2.92Å; L1085-Q1088 WeakPolarHBondContact O-CB 3.4Å; L1085-Q1088 PolarHBondContact O-N 3.44Å; L1085-V1089 HydrophobicContact CD2-CG2 4.49Å; L1085-V1089 WeakPolarHBondContact O-CG2 3.41Å; L1085-V1089 PolarHBondContact O-N 3.28Å |
| 1086 | R | 77.5 | Confident | 77.1 | Confident | 106 Ų | 106 | 64 Ų | 64 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 171 | 172.2 | -175.1 | 163.5 | 179.3 | -2.1 | 111.4 | Y1073 P1083 E1084 Q1088 V1089 A1090 | Y1073-R1086 HydrophobicContact CD2-CG 4.15Å; Y1073-R1086 HydrophobicContact CE1-CG 4.48Å; Y1073-R1086 HydrophobicContact CE2-CG 3.35Å; Y1073-R1086 VanDerWaalsContact CE2-O 3.29Å; Y1073-R1086 WeakPolarHBondContact CE2-O 3.28Å; Y1073-R1086 VanDerWaalsContact OH-CZ 3.32Å; Y1073-R1086 PolarHBondContact OH-NE 2.82Å; Y1073-R1086 PolarHBondContact OH-NH2 3.34Å; Y1073-R1086 VanDerWaalsContact OH-NH2 3.09Å; P1083-R1086 PolarHBondContact O-N 2.93Å; E1084-R1086 VanDerWaalsContact C-N 3.29Å; E1084-R1086 PolarHBondContact O-N 3.48Å; R1086-Q1088 VanDerWaalsContact C-N 3.31Å; R1086-V1089 PolarHBondContact O-N 3.34Å; R1086-A1090 PolarHBondContact O-N 3.46Å |
| 1087 | K | 79.8 | Confident | 77.2 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 27% | 0.274 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.8 | -56.9 | -177.1 | -162.5 | 158.8 | 0 | 110 | E1084 A1090 Y1091 Y1118 | E1084-K1087 VanDerWaalsContact CD-NZ 3.32Å; E1084-K1087 WeakPolarHBondContact O-CB 3.5Å; E1084-K1087 PolarHBondContact O-N 3.4Å; E1084-K1087 IonicContact OE1-NZ 3.93Å; E1084-K1087 PolarHBondContact OE1-NZ 3.31Å; E1084-K1087 WeakPolarHBondContact OE2-CD 3.46Å; E1084-K1087 IonicContact OE2-NZ 3.28Å; E1084-K1087 PolarHBondContact OE2-NZ 2.86Å; E1084-K1087 VanDerWaalsContact OE2-NZ 3.17Å; K1087-A1090 PolarHBondContact O-N 3.14Å; K1087-Y1091 WeakPolarHBondContact O-CB 3.36Å; K1087-Y1091 PolarHBondContact O-N 3.37Å; K1087-Y1118 HydrophobicContact CB-CD2 4.49Å; K1087-Y1118 HydrophobicContact CB-CE2 3.98Å; K1087-Y1118 HydrophobicContact CD-CE2 4.29Å |
| 1088 | Q | 80.2 | Confident | 77 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 176.4 | -162.7 | 178 | 15.9 | 0 | 0 | 112.5 | E1084 L1085 R1086 Y1091 L1092 | E1084-Q1088 PolarHBondContact O-N 2.86Å; L1085-Q1088 WeakPolarHBondContact O-CB 3.4Å; L1085-Q1088 PolarHBondContact O-N 3.44Å; R1086-Q1088 VanDerWaalsContact C-N 3.31Å; Q1088-Y1091 PolarHBondContact O-N 2.97Å; Q1088-L1092 HydrophobicContact CG-CD1 4.47Å; Q1088-L1092 WeakPolarHBondContact O-CB 3.38Å; Q1088-L1092 WeakPolarHBondContact O-CG 3.34Å; Q1088-L1092 PolarHBondContact O-N 2.77Å |
| 1089 | V | 82.5 | Confident | 77.1 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 5% | 0.048 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 176.8 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | V1060 A1072 Y1073 A1076 L1085 R1086 L1092 W1093 | V1060-V1089 HydrophobicContact CG1-CG2 4.12Å; A1072-V1089 HydrophobicContact CB-CG1 4.18Å; Y1073-V1089 HydrophobicContact CD2-CG1 4.43Å; A1076-V1089 HydrophobicContact CB-CB 4.11Å; A1076-V1089 HydrophobicContact CB-CG2 3.69Å; L1085-V1089 HydrophobicContact CD2-CG2 4.49Å; L1085-V1089 WeakPolarHBondContact O-CG2 3.41Å; L1085-V1089 PolarHBondContact O-N 3.28Å; R1086-V1089 PolarHBondContact O-N 3.34Å; V1089-L1092 PolarHBondContact O-N 3.45Å; V1089-W1093 VanDerWaalsContact O-CB 3.32Å; V1089-W1093 WeakPolarHBondContact O-CB 3.44Å; V1089-W1093 PolarHBondContact O-N 2.86Å |
| 1090 | A | 81.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1073 R1086 K1087 W1093 A1094 L1109 L1111 | Y1073-A1090 HydrophobicContact CD2-CB 3.96Å; Y1073-A1090 HydrophobicContact CE2-CB 3.54Å; R1086-A1090 PolarHBondContact O-N 3.46Å; K1087-A1090 PolarHBondContact O-N 3.14Å; A1090-W1093 PolarHBondContact O-N 3.44Å; A1090-A1094 WeakPolarHBondContact O-CB 3.28Å; A1090-A1094 PolarHBondContact O-N 3.07Å; A1090-L1109 HydrophobicContact CB-CD1 4.11Å; A1090-L1111 HydrophobicContact CB-CD1 3.92Å |
| 1091 | Y | 83.8 | Confident | 78.3 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 4% | 0.043 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 175.7 | 172.8 | -98.7 | 0 | 0 | 0 | 111.5 | K1087 Q1088 W1093 A1094 K1095 A1119 A1124 F1127 | K1087-Y1091 WeakPolarHBondContact O-CB 3.36Å; K1087-Y1091 PolarHBondContact O-N 3.37Å; Q1088-Y1091 PolarHBondContact O-N 2.97Å; Y1091-W1093 VanDerWaalsContact C-N 3.35Å; Y1091-W1093 PolarHBondContact O-N 3.22Å; Y1091-A1094 PolarHBondContact O-N 2.95Å; Y1091-K1095 HydrophobicContact CE1-CD 4.3Å; Y1091-K1095 WeakPolarHBondContact O-CB 3.4Å; Y1091-K1095 PolarHBondContact O-N 2.86Å; Y1091-A1119 HydrophobicContact CE2-CB 3.85Å; Y1091-A1124 WeakPolarHBondContact OH-CB 3.41Å; Y1091-F1127 HydrophobicContact CD2-CE1 4.25Å; Y1091-F1127 AromaticContact CE2-CD1 3.75Å; Y1091-F1127 HydrophobicContact CE2-CD1 3.75Å; Y1091-F1127 AromaticContact CE2-CE1 3.86Å; Y1091-F1127 HydrophobicContact CE2-CE1 3.86Å |
| 1092 | L | 82.7 | Confident | 78.8 | Confident | 58 Ų | 58 | 55.8 Ų | 55.8 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65 | -37 | 176.5 | -71.4 | 172.2 | 0 | 0 | 0 | 112.5 | W1069 Q1088 V1089 K1095 H1096 | W1069-L1092 HydrophobicContact CH2-CB 4.4Å; W1069-L1092 HydrophobicContact CZ3-CB 3.94Å; Q1088-L1092 HydrophobicContact CG-CD1 4.47Å; Q1088-L1092 WeakPolarHBondContact O-CB 3.38Å; Q1088-L1092 WeakPolarHBondContact O-CG 3.34Å; Q1088-L1092 PolarHBondContact O-N 2.77Å; V1089-L1092 PolarHBondContact O-N 3.45Å; L1092-K1095 PolarHBondContact O-N 2.81Å; L1092-H1096 WeakPolarHBondContact O-CB 3.26Å; L1092-H1096 PolarHBondContact O-N 3.28Å |
| 1093 | W | 85.5 | Confident | 79.4 | Confident | 27 Ų | 27 | 51 Ų | 51 | 10% | 0.102 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 174.6 | -175 | 11.6 | 0 | 0 | 0 | 111.2 | W1069 E1070 V1089 A1090 Y1091 K1095 H1096 L1097 L1105 L1109 | W1069-W1093 HydrophobicContact CB-CB 4.17Å; W1069-W1093 HydrophobicContact CB-CD2 3.38Å; W1069-W1093 HydrophobicContact CB-CE3 4.1Å; W1069-W1093 HydrophobicContact CB-CG 3.37Å; W1069-W1093 HydrophobicContact CB-CZ2 4.13Å; W1069-W1093 VanDerWaalsContact CB-NE1 3.26Å; W1069-W1093 AromaticContact CD1-CD1 3.78Å; W1069-W1093 AromaticContact CD1-NE1 3.92Å; W1069-W1093 HydrophobicContact CD2-CB 4Å; W1069-W1093 AromaticContact CD2-CD1 3.68Å; W1069-W1093 AromaticContact CD2-CG 3.93Å; W1069-W1093 HydrophobicContact CD2-CG 3.93Å; W1069-W1093 HydrophobicContact CE3-CB 3.57Å; W1069-W1093 AromaticContact CE3-CG 4Å; W1069-W1093 HydrophobicContact CE3-CG 4Å; W1069-W1093 HydrophobicContact CG-CB 4.29Å; W1069-W1093 AromaticContact CG-CD1 3.26Å; W1069-W1093 HydrophobicContact CG-CD2 4.23Å; W1069-W1093 AromaticContact CG-CG 3.71Å; W1069-W1093 HydrophobicContact CG-CG 3.71Å; W1069-W1093 AromaticContact CG-NE1 3.59Å; W1069-W1093 HydrophobicContact CZ3-CB 4.22Å; E1070-W1093 HydrophobicContact CB-CH2 4.31Å; E1070-W1093 HydrophobicContact CG-CH2 3.22Å; E1070-W1093 HydrophobicContact CG-CZ2 3.75Å; E1070-W1093 HydrophobicContact CG-CZ3 3.99Å; V1089-W1093 VanDerWaalsContact O-CB 3.32Å; V1089-W1093 WeakPolarHBondContact O-CB 3.44Å; V1089-W1093 PolarHBondContact O-N 2.86Å; A1090-W1093 PolarHBondContact O-N 3.44Å; Y1091-W1093 VanDerWaalsContact C-N 3.35Å; Y1091-W1093 PolarHBondContact O-N 3.22Å; W1093-K1095 PolarHBondContact O-N 2.87Å; W1093-H1096 PolarHBondContact O-N 3.04Å; W1093-L1097 PolarHBondContact O-N 3.3Å; W1093-L1105 HydrophobicContact CB-CD2 4.01Å; W1093-L1105 HydrophobicContact CD2-CD1 4.03Å; W1093-L1105 HydrophobicContact CD2-CD2 3.22Å; W1093-L1105 HydrophobicContact CD2-CG 4.24Å; W1093-L1105 HydrophobicContact CE3-CD1 3.8Å; W1093-L1105 HydrophobicContact CE3-CD2 3.59Å; W1093-L1105 HydrophobicContact CE3-CG 4.24Å; W1093-L1105 HydrophobicContact CG-CD2 3.43Å; W1093-L1105 VanDerWaalsContact CG-CD2 3.43Å; W1093-L1105 HydrophobicContact CH2-CD1 3.32Å; W1093-L1105 HydrophobicContact CH2-CD2 4.39Å; W1093-L1105 HydrophobicContact CH2-CG 4.47Å; W1093-L1105 HydrophobicContact CZ2-CD1 3.63Å; W1093-L1105 HydrophobicContact CZ2-CD2 4.16Å; W1093-L1105 HydrophobicContact CZ3-CD1 3.46Å; W1093-L1105 VanDerWaalsContact CZ3-CD1 3.46Å; W1093-L1105 HydrophobicContact CZ3-CD2 4.17Å; W1093-L1105 HydrophobicContact CZ3-CG 4.37Å; W1093-L1109 HydrophobicContact CZ3-CD1 4.41Å |
| 1094 | A | 81.9 | Confident | 80 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1090 Y1091 H1096 L1097 G1098 A1102 L1106 F1127 | A1090-A1094 WeakPolarHBondContact O-CB 3.28Å; A1090-A1094 PolarHBondContact O-N 3.07Å; Y1091-A1094 PolarHBondContact O-N 2.95Å; A1094-H1096 VanDerWaalsContact C-N 3.3Å; A1094-H1096 PolarHBondContact O-N 3.48Å; A1094-L1097 PolarHBondContact O-N 3.34Å; A1094-G1098 PolarHBondContact O-N 3.45Å; A1094-A1102 HydrophobicContact CB-CB 4.09Å; A1094-A1102 WeakPolarHBondContact O-CB 3.34Å; A1094-L1106 HydrophobicContact CB-CD1 3.51Å; A1094-L1106 HydrophobicContact CB-CD2 3.99Å; A1094-L1106 HydrophobicContact CB-CG 3.69Å; A1094-F1127 VanDerWaalsContact C-CZ 3.41Å; A1094-F1127 HydrophobicContact CB-CE1 4.3Å; A1094-F1127 HydrophobicContact CB-CZ 3.87Å; A1094-F1127 WeakPolarHBondContact O-CZ 3.37Å |
| 1095 | K | 82.4 | Confident | 80.4 | Confident | 115 Ų | 115 | 50.2 Ų | 50.2 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.7 | -33.9 | 177.7 | -171 | 175.4 | -177.8 | 173.2 | 0 | 112.5 | Y1091 L1092 W1093 F1127 | Y1091-K1095 HydrophobicContact CE1-CD 4.3Å; Y1091-K1095 WeakPolarHBondContact O-CB 3.4Å; Y1091-K1095 PolarHBondContact O-N 2.86Å; L1092-K1095 PolarHBondContact O-N 2.81Å; W1093-K1095 PolarHBondContact O-N 2.87Å; K1095-F1127 HydrophobicContact CB-CE1 4.18Å; K1095-F1127 HydrophobicContact CB-CZ 4.3Å |
| 1096 | H | 83 | Confident | 80.8 | Confident | 106 Ų | 106 | 49.4 Ų | 49.4 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -73.4 | -36.3 | 176 | -174.3 | 76.6 | 0 | 0 | 0 | 112.8 | D1067 W1069 L1092 W1093 A1094 | D1067-H1096 IonicContact OD1-CD2 3.27Å; D1067-H1096 IonicContact OD1-CE1 3.99Å; D1067-H1096 IonicContact OD1-NE2 2.8Å; D1067-H1096 PolarHBondContact OD1-NE2 3.39Å; W1069-H1096 AromaticContact CE2-CD2 3.74Å; W1069-H1096 AromaticContact CE2-CG 3.85Å; W1069-H1096 HydrophobicContact CH2-CB 3.91Å; W1069-H1096 HydrophobicContact CZ2-CB 3.44Å; W1069-H1096 VanDerWaalsContact CZ2-CB 3.44Å; W1069-H1096 AromaticContact CZ2-CD2 3.76Å; W1069-H1096 AromaticContact CZ2-CG 3.4Å; W1069-H1096 VanDerWaalsContact CZ2-CG 3.4Å; W1069-H1096 AromaticContact CZ2-ND1 3.92Å; W1069-H1096 AromaticContact NE1-CD2 3.36Å; W1069-H1096 PolarHBondContact NE1-CD2 3.37Å; W1069-H1096 AromaticContact NE1-CG 3.95Å; W1069-H1096 AromaticContact NE1-NE2 3.94Å; L1092-H1096 WeakPolarHBondContact O-CB 3.26Å; L1092-H1096 PolarHBondContact O-N 3.28Å; W1093-H1096 PolarHBondContact O-N 3.04Å; A1094-H1096 VanDerWaalsContact C-N 3.3Å; A1094-H1096 PolarHBondContact O-N 3.48Å |
| 1097 | L | 80.8 | Confident | 81 | Confident | 73 Ų | 73 | 47.7 Ų | 47.7 | 38% | 0.382 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.8 | -38.6 | 177.1 | -76.3 | 170.8 | 0 | 0 | 0 | 113.1 | W1093 A1094 A1102 L1105 | W1093-L1097 PolarHBondContact O-N 3.3Å; A1094-L1097 PolarHBondContact O-N 3.34Å; L1097-A1102 HydrophobicContact CB-CB 4.45Å; L1097-L1105 HydrophobicContact CD1-CB 4.14Å; L1097-L1105 HydrophobicContact CD1-CD2 3.69Å; L1097-L1105 HydrophobicContact CD1-CG 4.47Å |
| 1098 | G | 75 | Confident | 81.1 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | trans | 62.1 | 166.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1094 S1101 A1102 | A1094-G1098 PolarHBondContact O-N 3.45Å; G1098-S1101 PolarHBondContact O-OG 3.39Å; G1098-A1102 PolarHBondContact O-N 2.79Å; G1098-A1102 VanDerWaalsContact O-N 3.14Å | ||
| 1099 | G | 77.4 | Confident | 81.2 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | 54.3 | -147.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | S1101 A1102 V1103 E1130 | G1099-S1101 PolarHBondContact O-N 2.68Å; G1099-A1102 WeakPolarHBondContact O-CB 3.04Å; G1099-A1102 PolarHBondContact O-N 3.39Å; G1099-V1103 PolarHBondContact O-N 3.48Å; G1099-E1130 WeakPolarHBondContact CA-OE1 3.29Å; G1099-E1130 PolarHBondContact N-OE1 3.04Å |
| 1100 | E | 76.8 | Confident | 81 | Confident | 116 Ų | 116 | 60.8 Ų | 60.8 | 54% | 0.542 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -29.7 | -180 | -73.9 | -170 | 179.7 | 0 | 0 | 113.5 | V1103 R1104 | E1100-V1103 PolarHBondContact O-N 2.79Å; E1100-R1104 WeakPolarHBondContact O-CG 3.37Å; E1100-R1104 PolarHBondContact O-N 3.1Å; E1100-R1104 IonicContact OE2-CZ 3.92Å; E1100-R1104 IonicContact OE2-NH2 3.23Å; E1100-R1104 PolarHBondContact OE2-NH2 2.82Å |
| 1101 | S | 81.5 | Confident | 81 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 178.1 | 12.3 | 0 | 0 | 0 | 0 | 111.7 | G1098 G1099 V1103 R1104 L1105 | G1098-S1101 PolarHBondContact O-OG 3.39Å; G1099-S1101 PolarHBondContact O-N 2.68Å; S1101-V1103 VanDerWaalsContact C-N 3.34Å; S1101-R1104 PolarHBondContact O-N 2.95Å; S1101-L1105 PolarHBondContact O-N 2.87Å |
| 1102 | A | 80 | Confident | 81 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1094 L1097 G1098 G1099 L1105 L1106 F1127 L1131 | A1094-A1102 HydrophobicContact CB-CB 4.09Å; A1094-A1102 WeakPolarHBondContact O-CB 3.34Å; L1097-A1102 HydrophobicContact CB-CB 4.45Å; G1098-A1102 PolarHBondContact O-N 2.79Å; G1098-A1102 VanDerWaalsContact O-N 3.14Å; G1099-A1102 WeakPolarHBondContact O-CB 3.04Å; G1099-A1102 PolarHBondContact O-N 3.39Å; A1102-L1105 PolarHBondContact O-N 2.83Å; A1102-L1106 WeakPolarHBondContact O-CB 3.49Å; A1102-L1106 WeakPolarHBondContact O-CG 3.35Å; A1102-L1106 PolarHBondContact O-N 3.05Å; A1102-F1127 HydrophobicContact CB-CE2 4.1Å; A1102-F1127 HydrophobicContact CB-CZ 4.04Å; A1102-L1131 HydrophobicContact CB-CD2 4.07Å |
| 1103 | V | 79.6 | Confident | 80.9 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 176.1 | 167 | 0 | 0 | 0 | 0 | 111.7 | G1099 E1100 S1101 L1105 L1106 T1107 I1112 L1131 G1135 | G1099-V1103 PolarHBondContact O-N 3.48Å; E1100-V1103 PolarHBondContact O-N 2.79Å; S1101-V1103 VanDerWaalsContact C-N 3.34Å; V1103-L1105 VanDerWaalsContact C-N 3.27Å; V1103-L1105 PolarHBondContact O-N 3.25Å; V1103-L1106 PolarHBondContact O-N 3.31Å; V1103-T1107 VanDerWaalsContact O-CB 3.26Å; V1103-T1107 WeakPolarHBondContact O-CB 3.41Å; V1103-T1107 PolarHBondContact O-N 3.31Å; V1103-T1107 PolarHBondContact O-OG1 3.04Å; V1103-I1112 HydrophobicContact CB-CD1 4.4Å; V1103-I1112 HydrophobicContact CG1-CD1 3.85Å; V1103-I1112 HydrophobicContact CG2-CD1 4.4Å; V1103-L1131 HydrophobicContact CG2-CD2 3.76Å; V1103-G1135 VanDerWaalsContact CG1-CA 3.45Å |
| 1104 | R | 80.4 | Confident | 80.8 | Confident | 155 Ų | 155 | 64.9 Ų | 64.9 | 59% | 0.585 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.9 | -38.2 | 179.1 | -71.3 | 178.8 | -153.8 | 164.2 | 7.8 | 111.6 | E1100 S1101 R1108 | E1100-R1104 WeakPolarHBondContact O-CG 3.37Å; E1100-R1104 PolarHBondContact O-N 3.1Å; E1100-R1104 IonicContact OE2-CZ 3.92Å; E1100-R1104 IonicContact OE2-NH2 3.23Å; E1100-R1104 PolarHBondContact OE2-NH2 2.82Å; S1101-R1104 PolarHBondContact O-N 2.95Å; R1104-R1108 VanDerWaalsContact O-CB 3.26Å; R1104-R1108 WeakPolarHBondContact O-CB 3.09Å; R1104-R1108 PolarHBondContact O-N 3.5Å |
| 1105 | L | 81.8 | Confident | 80.7 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -52.6 | 175.6 | 174.6 | 69 | 0 | 0 | 0 | 111.5 | W1093 L1097 S1101 A1102 V1103 T1107 R1108 L1109 | W1093-L1105 HydrophobicContact CB-CD2 4.01Å; W1093-L1105 HydrophobicContact CD2-CD1 4.03Å; W1093-L1105 HydrophobicContact CD2-CD2 3.22Å; W1093-L1105 HydrophobicContact CD2-CG 4.24Å; W1093-L1105 HydrophobicContact CE3-CD1 3.8Å; W1093-L1105 HydrophobicContact CE3-CD2 3.59Å; W1093-L1105 HydrophobicContact CE3-CG 4.24Å; W1093-L1105 HydrophobicContact CG-CD2 3.43Å; W1093-L1105 VanDerWaalsContact CG-CD2 3.43Å; W1093-L1105 HydrophobicContact CH2-CD1 3.32Å; W1093-L1105 HydrophobicContact CH2-CD2 4.39Å; W1093-L1105 HydrophobicContact CH2-CG 4.47Å; W1093-L1105 HydrophobicContact CZ2-CD1 3.63Å; W1093-L1105 HydrophobicContact CZ2-CD2 4.16Å; W1093-L1105 HydrophobicContact CZ3-CD1 3.46Å; W1093-L1105 VanDerWaalsContact CZ3-CD1 3.46Å; W1093-L1105 HydrophobicContact CZ3-CD2 4.17Å; W1093-L1105 HydrophobicContact CZ3-CG 4.37Å; L1097-L1105 HydrophobicContact CD1-CB 4.14Å; L1097-L1105 HydrophobicContact CD1-CD2 3.69Å; L1097-L1105 HydrophobicContact CD1-CG 4.47Å; S1101-L1105 PolarHBondContact O-N 2.87Å; A1102-L1105 PolarHBondContact O-N 2.83Å; V1103-L1105 VanDerWaalsContact C-N 3.27Å; V1103-L1105 PolarHBondContact O-N 3.25Å; L1105-T1107 VanDerWaalsContact C-N 3.31Å; L1105-T1107 PolarHBondContact O-N 3.29Å; L1105-R1108 WeakPolarHBondContact O-CB 3.33Å; L1105-R1108 PolarHBondContact O-N 3.4Å; L1105-R1108 VanDerWaalsContact O-N 3.12Å; L1105-L1109 HydrophobicContact CD1-CD1 3.97Å; L1105-L1109 HydrophobicContact CD1-CG 4.25Å; L1105-L1109 HydrophobicContact CG-CD1 4.08Å; L1105-L1109 WeakPolarHBondContact O-CG 3.05Å; L1105-L1109 PolarHBondContact O-N 3.48Å |
| 1106 | L | 81.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.8 | -34 | -177.4 | -71.1 | 168.8 | 0 | 0 | 0 | 112.4 | A1094 A1102 V1103 L1109 R1110 L1111 I1112 A1115 L1131 | A1094-L1106 HydrophobicContact CB-CD1 3.51Å; A1094-L1106 HydrophobicContact CB-CD2 3.99Å; A1094-L1106 HydrophobicContact CB-CG 3.69Å; A1102-L1106 WeakPolarHBondContact O-CB 3.49Å; A1102-L1106 WeakPolarHBondContact O-CG 3.35Å; A1102-L1106 PolarHBondContact O-N 3.05Å; V1103-L1106 PolarHBondContact O-N 3.31Å; L1106-L1109 PolarHBondContact O-N 2.83Å; L1106-R1110 PolarHBondContact O-N 2.99Å; L1106-L1111 HydrophobicContact CD2-CB 4.25Å; L1106-L1111 PolarHBondContact O-N 3.33Å; L1106-I1112 HydrophobicContact CB-CB 3.98Å; L1106-I1112 HydrophobicContact CB-CG1 4.07Å; L1106-I1112 PolarHBondContact O-N 2.96Å; L1106-A1115 HydrophobicContact CD1-CB 3.43Å; L1106-A1115 VanDerWaalsContact CD1-CB 3.43Å; L1106-A1115 HydrophobicContact CD2-CB 3.65Å; L1106-A1115 HydrophobicContact CG-CB 4.12Å; L1106-L1131 HydrophobicContact CD1-CD1 3.77Å; L1106-L1131 HydrophobicContact CD1-CD2 3.59Å; L1106-L1131 HydrophobicContact CD1-CG 4.34Å |
| 1107 | T | 81.8 | Confident | 80.8 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 43% | 0.429 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 172.1 | -50.4 | 0 | 0 | 0 | 0 | 110.7 | V1103 L1105 R1110 I1112 | V1103-T1107 VanDerWaalsContact O-CB 3.26Å; V1103-T1107 WeakPolarHBondContact O-CB 3.41Å; V1103-T1107 PolarHBondContact O-N 3.31Å; V1103-T1107 PolarHBondContact O-OG1 3.04Å; L1105-T1107 VanDerWaalsContact C-N 3.31Å; L1105-T1107 PolarHBondContact O-N 3.29Å; T1107-R1110 PolarHBondContact O-N 3.17Å; T1107-I1112 WeakPolarHBondContact OG1-CD1 3.26Å |
| 1108 | R | 82.8 | Confident | 80.8 | Confident | 168 Ų | 168 | 55 Ų | 55 | 63% | 0.634 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 175.1 | -168.8 | -167.6 | -49.1 | 162.4 | 5.9 | 112.1 | R1104 L1105 R1110 | R1104-R1108 VanDerWaalsContact O-CB 3.26Å; R1104-R1108 WeakPolarHBondContact O-CB 3.09Å; R1104-R1108 PolarHBondContact O-N 3.5Å; L1105-R1108 WeakPolarHBondContact O-CB 3.33Å; L1105-R1108 PolarHBondContact O-N 3.4Å; L1105-R1108 VanDerWaalsContact O-N 3.12Å; R1108-R1110 VanDerWaalsContact C-N 3.26Å; R1108-R1110 PolarHBondContact O-N 3.47Å |
| 1109 | L | 81.1 | Confident | 81.2 | Confident | 39 Ų | 39 | 54 Ų | 54 | 20% | 0.204 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -79.4 | -5.2 | 178.4 | -65.3 | 177.8 | 0 | 0 | 0 | 113.6 | Y1073 A1090 W1093 L1105 L1106 L1111 | Y1073-L1109 HydrophobicContact CE1-CD1 4.46Å; Y1073-L1109 HydrophobicContact CE1-CD2 3.96Å; Y1073-L1109 HydrophobicContact CE2-CD1 4.29Å; A1090-L1109 HydrophobicContact CB-CD1 4.11Å; W1093-L1109 HydrophobicContact CZ3-CD1 4.41Å; L1105-L1109 HydrophobicContact CD1-CD1 3.97Å; L1105-L1109 HydrophobicContact CD1-CG 4.25Å; L1105-L1109 HydrophobicContact CG-CD1 4.08Å; L1105-L1109 WeakPolarHBondContact O-CG 3.05Å; L1105-L1109 PolarHBondContact O-N 3.48Å; L1106-L1109 PolarHBondContact O-N 2.83Å; L1109-L1111 HydrophobicContact CB-CB 4.37Å; L1109-L1111 HydrophobicContact CB-CD1 4.15Å; L1109-L1111 HydrophobicContact CB-CG 4.31Å; L1109-L1111 PolarHBondContact O-N 2.7Å |
| 1110 | R | 79.6 | Confident | 81.4 | Confident | 227 Ų | 227 | 53.6 Ų | 53.6 | 86% | 0.857 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 35.5 | -171.4 | -58.4 | -174.9 | -179.4 | -176.3 | -0.2 | 113.1 | L1106 T1107 R1108 | L1106-R1110 PolarHBondContact O-N 2.99Å; T1107-R1110 PolarHBondContact O-N 3.17Å; R1108-R1110 VanDerWaalsContact C-N 3.26Å; R1108-R1110 PolarHBondContact O-N 3.47Å |
| 1111 | L | 81.7 | Confident | 81.7 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | trans | -118.1 | 16.5 | -179.1 | -70.5 | 172.6 | 0 | 0 | 0 | 112.1 | Y1073 A1090 L1106 L1109 N1114 A1115 | Y1073-L1111 HydrophobicContact CE2-CD1 4.47Å; Y1073-L1111 WeakPolarHBondContact OH-CD1 3.48Å; A1090-L1111 HydrophobicContact CB-CD1 3.92Å; L1106-L1111 HydrophobicContact CD2-CB 4.25Å; L1106-L1111 PolarHBondContact O-N 3.33Å; L1109-L1111 HydrophobicContact CB-CB 4.37Å; L1109-L1111 HydrophobicContact CB-CD1 4.15Å; L1109-L1111 HydrophobicContact CB-CG 4.31Å; L1109-L1111 PolarHBondContact O-N 2.7Å; L1111-N1114 HydrophobicContact CD2-CB 4.17Å; L1111-N1114 WeakPolarHBondContact CD2-ND2 3.5Å; L1111-N1114 PolarHBondContact O-N 2.93Å; L1111-A1115 VanDerWaalsContact O-CB 3.24Å; L1111-A1115 WeakPolarHBondContact O-CB 3.46Å; L1111-A1115 PolarHBondContact O-N 3.41Å | ||
| 1112 | I | 82.8 | Confident | 81.6 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 8% | 0.082 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | -177.6 | -157.2 | 160.4 | 0 | 0 | 0 | 112.2 | V1103 L1106 T1107 A1115 I1116 | V1103-I1112 HydrophobicContact CB-CD1 4.4Å; V1103-I1112 HydrophobicContact CG1-CD1 3.85Å; V1103-I1112 HydrophobicContact CG2-CD1 4.4Å; L1106-I1112 HydrophobicContact CB-CB 3.98Å; L1106-I1112 HydrophobicContact CB-CG1 4.07Å; L1106-I1112 PolarHBondContact O-N 2.96Å; T1107-I1112 WeakPolarHBondContact OG1-CD1 3.26Å; I1112-A1115 PolarHBondContact O-N 3.44Å; I1112-I1116 VanDerWaalsContact O-CG1 3.3Å; I1112-I1116 WeakPolarHBondContact O-CG1 3.14Å; I1112-I1116 PolarHBondContact O-N 3.46Å |
| 1113 | E | 81.5 | Confident | 81.7 | Confident | 87 Ų | 87 | 59.2 Ų | 59.2 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -47.7 | 175.8 | -62.4 | -176 | -171 | 0 | 0 | 110.7 | A1115 I1116 D1117 R1140 | E1113-A1115 VanDerWaalsContact C-N 3.26Å; E1113-A1115 PolarHBondContact O-N 2.79Å; E1113-I1116 WeakPolarHBondContact O-CB 3.41Å; E1113-I1116 PolarHBondContact O-N 2.99Å; E1113-I1116 VanDerWaalsContact O-N 3.12Å; E1113-D1117 PolarHBondContact O-N 3.48Å; E1113-R1140 IonicContact OE2-CZ 3.36Å; E1113-R1140 IonicContact OE2-NH2 3.36Å; E1113-R1140 PolarHBondContact OE2-NH2 2.89Å |
| 1114 | N | 82.2 | Confident | 81.8 | Confident | 62 Ų | 62 | 59.8 Ų | 59.8 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -32.1 | 176.6 | -65.9 | 15.8 | 0 | 0 | 0 | 113 | L1111 D1117 Y1118 | L1111-N1114 HydrophobicContact CD2-CB 4.17Å; L1111-N1114 WeakPolarHBondContact CD2-ND2 3.5Å; L1111-N1114 PolarHBondContact O-N 2.93Å; N1114-D1117 PolarHBondContact O-N 3.27Å; N1114-Y1118 WeakPolarHBondContact O-CB 3.27Å; N1114-Y1118 PolarHBondContact O-N 2.88Å |
| 1115 | A | 80.5 | Confident | 82.1 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.033 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -75.8 | -32.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1106 L1111 I1112 E1113 D1117 A1119 L1131 | L1106-A1115 HydrophobicContact CD1-CB 3.43Å; L1106-A1115 VanDerWaalsContact CD1-CB 3.43Å; L1106-A1115 HydrophobicContact CD2-CB 3.65Å; L1106-A1115 HydrophobicContact CG-CB 4.12Å; L1111-A1115 VanDerWaalsContact O-CB 3.24Å; L1111-A1115 WeakPolarHBondContact O-CB 3.46Å; L1111-A1115 PolarHBondContact O-N 3.41Å; I1112-A1115 PolarHBondContact O-N 3.44Å; E1113-A1115 VanDerWaalsContact C-N 3.26Å; E1113-A1115 PolarHBondContact O-N 2.79Å; A1115-D1117 VanDerWaalsContact C-N 3.34Å; A1115-A1119 WeakPolarHBondContact O-CB 3.35Å; A1115-A1119 PolarHBondContact O-N 3.41Å; A1115-L1131 HydrophobicContact CB-CD1 4.08Å |
| 1116 | I | 83.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 168.7 | -66.9 | 165.6 | 0 | 0 | 0 | 109.3 | I1112 E1113 A1119 T1120 L1131 A1132 V1144 | I1112-I1116 VanDerWaalsContact O-CG1 3.3Å; I1112-I1116 WeakPolarHBondContact O-CG1 3.14Å; I1112-I1116 PolarHBondContact O-N 3.46Å; E1113-I1116 WeakPolarHBondContact O-CB 3.41Å; E1113-I1116 PolarHBondContact O-N 2.99Å; E1113-I1116 VanDerWaalsContact O-N 3.12Å; I1116-A1119 PolarHBondContact O-N 3.16Å; I1116-T1120 HydrophobicContact CG2-CG2 4.47Å; I1116-T1120 WeakPolarHBondContact O-CB 3.17Å; I1116-T1120 VanDerWaalsContact O-CG2 3.27Å; I1116-T1120 WeakPolarHBondContact O-CG2 3.43Å; I1116-T1120 PolarHBondContact O-N 3Å; I1116-T1120 PolarHBondContact O-OG1 3.48Å; I1116-L1131 HydrophobicContact CG1-CB 3.99Å; I1116-L1131 HydrophobicContact CG1-CD1 4.44Å; I1116-A1132 HydrophobicContact CD1-CB 4.43Å; I1116-V1144 HydrophobicContact CG2-CG2 3.53Å |
| 1117 | D | 83.5 | Confident | 82.2 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 23% | 0.225 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 174.5 | -74 | -37.5 | 0 | 0 | 0 | 112.2 | E1113 N1114 A1115 A1119 T1120 E1121 K1147 | E1113-D1117 PolarHBondContact O-N 3.48Å; N1114-D1117 PolarHBondContact O-N 3.27Å; A1115-D1117 VanDerWaalsContact C-N 3.34Å; D1117-A1119 VanDerWaalsContact C-N 3.35Å; D1117-A1119 PolarHBondContact O-N 3.49Å; D1117-T1120 WeakPolarHBondContact CA-OG1 3.32Å; D1117-T1120 PolarHBondContact O-N 2.67Å; D1117-T1120 PolarHBondContact O-OG1 3.43Å; D1117-E1121 WeakPolarHBondContact O-CB 3.22Å; D1117-E1121 VanDerWaalsContact O-CG 3.32Å; D1117-E1121 WeakPolarHBondContact O-CG 3.14Å; D1117-E1121 PolarHBondContact O-N 2.95Å; D1117-K1147 IonicContact OD1-NZ 2.82Å; D1117-K1147 PolarHBondContact OD1-NZ 2.82Å |
| 1118 | Y | 82.4 | Confident | 82.3 | Confident | 36 Ų | 36 | 56.9 Ų | 56.9 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 174.7 | -109.9 | -88.1 | 0 | 0 | 0 | 112.4 | E1084 K1087 N1114 T1120 H1122 | E1084-Y1118 PolarHBondContact OE2-OH 3.35Å; K1087-Y1118 HydrophobicContact CB-CD2 4.49Å; K1087-Y1118 HydrophobicContact CB-CE2 3.98Å; K1087-Y1118 HydrophobicContact CD-CE2 4.29Å; N1114-Y1118 WeakPolarHBondContact O-CB 3.27Å; N1114-Y1118 PolarHBondContact O-N 2.88Å; Y1118-T1120 VanDerWaalsContact C-N 3.33Å; Y1118-H1122 AromaticContact CD1-CE1 3.55Å; Y1118-H1122 AromaticContact CD1-NE2 3.56Å; Y1118-H1122 AromaticContact CE1-CE1 3.57Å; Y1118-H1122 AromaticContact CE1-NE2 3.57Å; Y1118-H1122 VanDerWaalsContact O-CB 3.3Å; Y1118-H1122 WeakPolarHBondContact O-CB 3.48Å; Y1118-H1122 PolarHBondContact O-N 2.95Å |
| 1119 | A | 81.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1091 A1115 I1116 D1117 C1123 A1124 F1127 A1128 | Y1091-A1119 HydrophobicContact CE2-CB 3.85Å; A1115-A1119 WeakPolarHBondContact O-CB 3.35Å; A1115-A1119 PolarHBondContact O-N 3.41Å; I1116-A1119 PolarHBondContact O-N 3.16Å; D1117-A1119 VanDerWaalsContact C-N 3.35Å; D1117-A1119 PolarHBondContact O-N 3.49Å; A1119-C1123 PolarHBondContact O-N 3.49Å; A1119-A1124 CarbonylContact O-C 3.51Å; A1119-A1124 WeakPolarHBondContact O-CA 3.35Å; A1119-A1124 PolarHBondContact O-N 3.27Å; A1119-F1127 HydrophobicContact CB-CD1 4.45Å; A1119-A1128 HydrophobicContact CB-CB 3.67Å |
| 1120 | T | 82.8 | Confident | 82.4 | Confident | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.4 | -37.4 | 178.9 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | I1116 D1117 Y1118 C1123 F1125 A1128 V1144 K1147 | I1116-T1120 HydrophobicContact CG2-CG2 4.47Å; I1116-T1120 WeakPolarHBondContact O-CB 3.17Å; I1116-T1120 VanDerWaalsContact O-CG2 3.27Å; I1116-T1120 WeakPolarHBondContact O-CG2 3.43Å; I1116-T1120 PolarHBondContact O-N 3Å; I1116-T1120 PolarHBondContact O-OG1 3.48Å; D1117-T1120 WeakPolarHBondContact CA-OG1 3.32Å; D1117-T1120 PolarHBondContact O-N 2.67Å; D1117-T1120 PolarHBondContact O-OG1 3.43Å; Y1118-T1120 VanDerWaalsContact C-N 3.33Å; T1120-C1123 PolarHBondContact O-N 3.4Å; T1120-F1125 HydrophobicContact CG2-CD1 4.36Å; T1120-F1125 HydrophobicContact CG2-CE1 4.3Å; T1120-A1128 HydrophobicContact CG2-CB 3.88Å; T1120-V1144 HydrophobicContact CG2-CG1 4.18Å; T1120-V1144 HydrophobicContact CG2-CG2 4.38Å; T1120-K1147 VanDerWaalsContact CB-CD 3.45Å; T1120-K1147 HydrophobicContact CG2-CB 4.26Å; T1120-K1147 HydrophobicContact CG2-CD 3.95Å; T1120-K1147 VanDerWaalsContact OG1-CD 3.22Å; T1120-K1147 WeakPolarHBondContact OG1-CD 3.32Å; T1120-K1147 PolarHBondContact OG1-NZ 3.41Å; T1120-K1147 VanDerWaalsContact OG1-NZ 3.13Å |
| 1121 | E | 82.3 | Confident | 82.5 | Confident | 129 Ų | 129 | 41.2 Ų | 41.2 | 60% | 0.603 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -68.6 | -33.1 | 174.8 | -74 | 176 | -175.3 | 0 | 0 | 112.7 | D1117 C1123 | D1117-E1121 WeakPolarHBondContact O-CB 3.22Å; D1117-E1121 VanDerWaalsContact O-CG 3.32Å; D1117-E1121 WeakPolarHBondContact O-CG 3.14Å; D1117-E1121 PolarHBondContact O-N 2.95Å; E1121-C1123 VanDerWaalsContact C-N 3.28Å; E1121-C1123 PolarHBondContact O-N 2.93Å |
| 1122 | H | 81 | Confident | 82.4 | Confident | 100 Ų | 100 | 40.3 Ų | 40.3 | 46% | 0.463 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 13.9 | 177 | -68.6 | 19.7 | 0 | 0 | 0 | 113.5 | Y1118 A1124 | Y1118-H1122 AromaticContact CD1-CE1 3.55Å; Y1118-H1122 AromaticContact CD1-NE2 3.56Å; Y1118-H1122 AromaticContact CE1-CE1 3.57Å; Y1118-H1122 AromaticContact CE1-NE2 3.57Å; Y1118-H1122 VanDerWaalsContact O-CB 3.3Å; Y1118-H1122 WeakPolarHBondContact O-CB 3.48Å; Y1118-H1122 PolarHBondContact O-N 2.95Å; H1122-A1124 PolarHBondContact O-N 2.88Å; H1122-A1124 VanDerWaalsContact O-N 3.11Å |
| 1123 | C | 81.2 | Confident | 82.2 | Confident | 63 Ų | 63 | 45.4 Ų | 45.4 | 43% | 0.426 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 23.9 | 179 | -53.2 | 0 | 0 | 0 | 0 | 114.3 | A1119 T1120 E1121 F1125 F1151 | A1119-C1123 PolarHBondContact O-N 3.49Å; T1120-C1123 PolarHBondContact O-N 3.4Å; E1121-C1123 VanDerWaalsContact C-N 3.28Å; E1121-C1123 PolarHBondContact O-N 2.93Å; C1123-F1125 VanDerWaalsContact C-N 3.31Å; C1123-F1125 HydrophobicContact CB-CD2 4.5Å; C1123-F1125 HydrophobicContact CB-CE2 3.92Å; C1123-F1125 WeakPolarHBondContact O-CD2 3.48Å; C1123-F1125 PolarHBondContact O-N 3.47Å; C1123-F1151 HydrophobicContact CB-CD2 4.42Å; C1123-F1151 HydrophobicContact CB-CE2 4.06Å; C1123-F1151 HydrophobicContact CB-CZ 4.32Å; C1123-F1151 VanDerWaalsContact SG-CD2 3.56Å; C1123-F1151 WeakPolarHBondContact SG-CE2 3.36Å |
| 1124 | A | 82.3 | Confident | 81.7 | Confident | 22 Ų | 22 | 43.9 Ų | 43.9 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | trans | -93.3 | 58.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y1091 A1119 H1122 D1126 F1127 A1128 | Y1091-A1124 WeakPolarHBondContact OH-CB 3.41Å; A1119-A1124 CarbonylContact O-C 3.51Å; A1119-A1124 WeakPolarHBondContact O-CA 3.35Å; A1119-A1124 PolarHBondContact O-N 3.27Å; H1122-A1124 PolarHBondContact O-N 2.88Å; H1122-A1124 VanDerWaalsContact O-N 3.11Å; A1124-D1126 VanDerWaalsContact C-N 3.31Å; A1124-D1126 PolarHBondContact O-N 2.94Å; A1124-F1127 PolarHBondContact O-N 3.21Å; A1124-A1128 PolarHBondContact O-N 3.42Å; A1124-A1128 VanDerWaalsContact O-N 3.11Å | ||
| 1125 | F | 85.6 | Confident | 80.7 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -33 | -171.1 | -63.2 | -74.8 | 0 | 0 | 0 | 113.6 | T1120 C1123 F1127 A1128 F1129 K1147 Y1148 F1151 | T1120-F1125 HydrophobicContact CG2-CD1 4.36Å; T1120-F1125 HydrophobicContact CG2-CE1 4.3Å; C1123-F1125 VanDerWaalsContact C-N 3.31Å; C1123-F1125 HydrophobicContact CB-CD2 4.5Å; C1123-F1125 HydrophobicContact CB-CE2 3.92Å; C1123-F1125 WeakPolarHBondContact O-CD2 3.48Å; C1123-F1125 PolarHBondContact O-N 3.47Å; F1125-F1127 VanDerWaalsContact C-N 3.33Å; F1125-F1127 PolarHBondContact O-N 2.85Å; F1125-A1128 WeakPolarHBondContact O-CB 3.28Å; F1125-A1128 PolarHBondContact O-N 3.22Å; F1125-A1128 VanDerWaalsContact O-N 3.15Å; F1125-F1129 HydrophobicContact CB-CD2 4.43Å; F1125-F1129 HydrophobicContact CB-CE2 4.19Å; F1125-F1129 WeakPolarHBondContact O-CD2 3.43Å; F1125-F1129 PolarHBondContact O-N 3.31Å; F1125-K1147 HydrophobicContact CE1-CB 4.29Å; F1125-Y1148 HydrophobicContact CB-CD2 3.85Å; F1125-Y1148 HydrophobicContact CB-CE2 4.2Å; F1125-Y1148 HydrophobicContact CB-CG 4.08Å; F1125-Y1148 AromaticContact CD1-CD2 3.8Å; F1125-Y1148 HydrophobicContact CD1-CD2 3.8Å; F1125-Y1148 AromaticContact CD1-CG 3.93Å; F1125-Y1148 HydrophobicContact CD1-CG 3.93Å; F1125-Y1148 AromaticContact CD2-CD2 3.23Å; F1125-Y1148 HydrophobicContact CD2-CD2 3.23Å; F1125-Y1148 AromaticContact CD2-CE2 3.64Å; F1125-Y1148 HydrophobicContact CD2-CE2 3.64Å; F1125-Y1148 HydrophobicContact CD2-CG 4.16Å; F1125-Y1148 VanDerWaalsContact CE1-CA 3.46Å; F1125-Y1148 HydrophobicContact CE1-CD2 4.16Å; F1125-Y1148 HydrophobicContact CE1-CG 4.43Å; F1125-Y1148 AromaticContact CE2-CD2 3.63Å; F1125-Y1148 HydrophobicContact CE2-CD2 3.63Å; F1125-Y1148 HydrophobicContact CE2-CE2 4.23Å; F1125-Y1148 AromaticContact CG-CD2 3.32Å; F1125-Y1148 HydrophobicContact CG-CD2 3.32Å; F1125-Y1148 AromaticContact CG-CE2 3.98Å; F1125-Y1148 HydrophobicContact CG-CE2 3.98Å; F1125-Y1148 AromaticContact CG-CG 3.78Å; F1125-Y1148 HydrophobicContact CG-CG 3.78Å; F1125-Y1148 HydrophobicContact CZ-CD2 4.08Å; F1125-F1151 HydrophobicContact CD2-CD1 4.35Å; F1125-F1151 HydrophobicContact CE2-CB 3.73Å; F1125-F1151 AromaticContact CE2-CD1 3.55Å; F1125-F1151 HydrophobicContact CE2-CD1 3.55Å; F1125-F1151 HydrophobicContact CE2-CD2 4.18Å; F1125-F1151 HydrophobicContact CE2-CE1 4.22Å; F1125-F1151 AromaticContact CE2-CG 3.53Å; F1125-F1151 HydrophobicContact CE2-CG 3.53Å; F1125-F1151 HydrophobicContact CZ-CB 3.51Å; F1125-F1151 HydrophobicContact CZ-CD1 4.26Å; F1125-F1151 HydrophobicContact CZ-CD2 4.46Å; F1125-F1151 AromaticContact CZ-CG 3.83Å; F1125-F1151 HydrophobicContact CZ-CG 3.83Å |
| 1126 | D | 83.9 | Confident | 79.8 | Confident | 138 Ų | 138 | 46.4 Ų | 46.4 | 74% | 0.738 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58.2 | -45.2 | 176.1 | -64.6 | -33.8 | 0 | 0 | 0 | 112.1 | A1124 F1129 E1130 | A1124-D1126 VanDerWaalsContact C-N 3.31Å; A1124-D1126 PolarHBondContact O-N 2.94Å; D1126-F1129 PolarHBondContact O-N 2.91Å; D1126-E1130 PolarHBondContact O-N 3.44Å |
| 1127 | F | 82.6 | Confident | 78.9 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.7 | -34.2 | 177.5 | -171.1 | -120.6 | 0 | 0 | 0 | 111.5 | Y1091 A1094 K1095 A1102 A1119 A1124 F1125 F1129 E1130 L1131 | Y1091-F1127 HydrophobicContact CD2-CE1 4.25Å; Y1091-F1127 AromaticContact CE2-CD1 3.75Å; Y1091-F1127 HydrophobicContact CE2-CD1 3.75Å; Y1091-F1127 AromaticContact CE2-CE1 3.86Å; Y1091-F1127 HydrophobicContact CE2-CE1 3.86Å; A1094-F1127 VanDerWaalsContact C-CZ 3.41Å; A1094-F1127 HydrophobicContact CB-CE1 4.3Å; A1094-F1127 HydrophobicContact CB-CZ 3.87Å; A1094-F1127 WeakPolarHBondContact O-CZ 3.37Å; K1095-F1127 HydrophobicContact CB-CE1 4.18Å; K1095-F1127 HydrophobicContact CB-CZ 4.3Å; A1102-F1127 HydrophobicContact CB-CE2 4.1Å; A1102-F1127 HydrophobicContact CB-CZ 4.04Å; A1119-F1127 HydrophobicContact CB-CD1 4.45Å; A1124-F1127 PolarHBondContact O-N 3.21Å; F1125-F1127 VanDerWaalsContact C-N 3.33Å; F1125-F1127 PolarHBondContact O-N 2.85Å; F1127-F1129 VanDerWaalsContact C-N 3.34Å; F1127-F1129 PolarHBondContact O-N 3.45Å; F1127-E1130 PolarHBondContact O-N 3.11Å; F1127-L1131 HydrophobicContact CD1-CD1 3.92Å; F1127-L1131 HydrophobicContact CD1-CG 4.36Å; F1127-L1131 HydrophobicContact CE1-CD1 3.58Å; F1127-L1131 HydrophobicContact CE1-CD2 4.44Å; F1127-L1131 HydrophobicContact CE1-CG 4.09Å; F1127-L1131 HydrophobicContact CE2-CD2 4.23Å; F1127-L1131 HydrophobicContact CE2-CG 4.24Å; F1127-L1131 HydrophobicContact CZ-CD1 3.95Å; F1127-L1131 HydrophobicContact CZ-CD2 3.94Å; F1127-L1131 HydrophobicContact CZ-CG 4Å; F1127-L1131 WeakPolarHBondContact O-CB 3.29Å; F1127-L1131 VanDerWaalsContact O-CG 3.27Å; F1127-L1131 WeakPolarHBondContact O-CG 3.42Å; F1127-L1131 PolarHBondContact O-N 3.27Å |
| 1128 | A | 83.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1119 T1120 A1124 F1125 A1132 V1144 | A1119-A1128 HydrophobicContact CB-CB 3.67Å; T1120-A1128 HydrophobicContact CG2-CB 3.88Å; A1124-A1128 PolarHBondContact O-N 3.42Å; A1124-A1128 VanDerWaalsContact O-N 3.11Å; F1125-A1128 WeakPolarHBondContact O-CB 3.28Å; F1125-A1128 PolarHBondContact O-N 3.22Å; F1125-A1128 VanDerWaalsContact O-N 3.15Å; A1128-A1132 VanDerWaalsContact O-CB 3.3Å; A1128-A1132 WeakPolarHBondContact O-CB 3.27Å; A1128-A1132 PolarHBondContact O-N 3.49Å; A1128-V1144 HydrophobicContact CB-CG1 3.62Å; A1128-V1144 HydrophobicContact CB-CG2 4.42Å |
| 1129 | F | 84.5 | Confident | 77.8 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.4 | -43 | 174.6 | -76 | -57.2 | 0 | 0 | 0 | 112.1 | F1125 D1126 F1127 L1131 A1132 Q1133 L1141 V1144 H1145 Y1148 | F1125-F1129 HydrophobicContact CB-CD2 4.43Å; F1125-F1129 HydrophobicContact CB-CE2 4.19Å; F1125-F1129 WeakPolarHBondContact O-CD2 3.43Å; F1125-F1129 PolarHBondContact O-N 3.31Å; D1126-F1129 PolarHBondContact O-N 2.91Å; F1127-F1129 VanDerWaalsContact C-N 3.34Å; F1127-F1129 PolarHBondContact O-N 3.45Å; F1129-L1131 VanDerWaalsContact C-N 3.33Å; F1129-L1131 PolarHBondContact O-N 3.35Å; F1129-A1132 PolarHBondContact O-N 3.34Å; F1129-Q1133 VanDerWaalsContact O-CB 3.32Å; F1129-Q1133 WeakPolarHBondContact O-CB 3.48Å; F1129-Q1133 WeakPolarHBondContact O-CG 3.45Å; F1129-Q1133 PolarHBondContact O-N 3.28Å; F1129-L1141 HydrophobicContact CD1-CD2 4.11Å; F1129-V1144 HydrophobicContact CD1-CB 4.32Å; F1129-V1144 HydrophobicContact CD1-CG1 3.76Å; F1129-V1144 HydrophobicContact CD2-CG1 4.46Å; F1129-V1144 HydrophobicContact CE1-CB 4.07Å; F1129-V1144 HydrophobicContact CE1-CG1 3.62Å; F1129-V1144 HydrophobicContact CE2-CG1 4.36Å; F1129-V1144 HydrophobicContact CG-CG1 4.17Å; F1129-V1144 HydrophobicContact CZ-CG1 3.94Å; F1129-H1145 HydrophobicContact CE1-CB 4.44Å; F1129-H1145 AromaticContact CE1-CD2 3.67Å; F1129-H1145 AromaticContact CE1-CE1 3.24Å; F1129-H1145 WeakPolarHBondContact CE1-CE1 3.47Å; F1129-H1145 AromaticContact CE1-CG 3.58Å; F1129-H1145 AromaticContact CE1-ND1 3.34Å; F1129-H1145 VanDerWaalsContact CE1-ND1 3.34Å; F1129-H1145 WeakPolarHBondContact CE1-ND1 3.41Å; F1129-H1145 AromaticContact CE1-NE2 3.47Å; F1129-H1145 WeakPolarHBondContact CE1-NE2 3.38Å; F1129-H1145 AromaticContact CZ-CE1 3.53Å; F1129-H1145 AromaticContact CZ-CG 3.93Å; F1129-H1145 AromaticContact CZ-ND1 3.35Å; F1129-H1145 WeakPolarHBondContact CZ-ND1 3.17Å; F1129-Y1148 AromaticContact CE2-CD1 3.77Å; F1129-Y1148 HydrophobicContact CE2-CD1 3.77Å; F1129-Y1148 HydrophobicContact CE2-CE1 4.32Å; F1129-Y1148 HydrophobicContact CE2-CG 4.35Å; F1129-Y1148 AromaticContact CZ-CD1 3.97Å; F1129-Y1148 HydrophobicContact CZ-CD1 3.97Å |
| 1130 | E | 81.4 | Confident | 77.7 | Confident | 78 Ų | 78 | 59.3 Ų | 59.3 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 178.3 | -158.5 | -178.3 | -165.8 | 0 | 0 | 111.5 | G1099 D1126 F1127 S1134 | G1099-E1130 WeakPolarHBondContact CA-OE1 3.29Å; G1099-E1130 PolarHBondContact N-OE1 3.04Å; D1126-E1130 PolarHBondContact O-N 3.44Å; F1127-E1130 PolarHBondContact O-N 3.11Å; E1130-S1134 VanDerWaalsContact O-CB 3.23Å; E1130-S1134 WeakPolarHBondContact O-CB 3.49Å; E1130-S1134 PolarHBondContact O-N 2.88Å; E1130-S1134 PolarHBondContact O-OG 3.41Å |
| 1131 | L | 81.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 174.7 | -70.4 | -179.7 | 0 | 0 | 0 | 112.8 | A1102 V1103 L1106 A1115 I1116 F1127 F1129 G1135 | A1102-L1131 HydrophobicContact CB-CD2 4.07Å; V1103-L1131 HydrophobicContact CG2-CD2 3.76Å; L1106-L1131 HydrophobicContact CD1-CD1 3.77Å; L1106-L1131 HydrophobicContact CD1-CD2 3.59Å; L1106-L1131 HydrophobicContact CD1-CG 4.34Å; A1115-L1131 HydrophobicContact CB-CD1 4.08Å; I1116-L1131 HydrophobicContact CG1-CB 3.99Å; I1116-L1131 HydrophobicContact CG1-CD1 4.44Å; F1127-L1131 HydrophobicContact CD1-CD1 3.92Å; F1127-L1131 HydrophobicContact CD1-CG 4.36Å; F1127-L1131 HydrophobicContact CE1-CD1 3.58Å; F1127-L1131 HydrophobicContact CE1-CD2 4.44Å; F1127-L1131 HydrophobicContact CE1-CG 4.09Å; F1127-L1131 HydrophobicContact CE2-CD2 4.23Å; F1127-L1131 HydrophobicContact CE2-CG 4.24Å; F1127-L1131 HydrophobicContact CZ-CD1 3.95Å; F1127-L1131 HydrophobicContact CZ-CD2 3.94Å; F1127-L1131 HydrophobicContact CZ-CG 4Å; F1127-L1131 WeakPolarHBondContact O-CB 3.29Å; F1127-L1131 VanDerWaalsContact O-CG 3.27Å; F1127-L1131 WeakPolarHBondContact O-CG 3.42Å; F1127-L1131 PolarHBondContact O-N 3.27Å; F1129-L1131 VanDerWaalsContact C-N 3.33Å; F1129-L1131 PolarHBondContact O-N 3.35Å; L1131-G1135 WeakPolarHBondContact O-CA 3.31Å; L1131-G1135 PolarHBondContact O-N 2.87Å |
| 1132 | A | 80.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -76.9 | -32 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1116 A1128 F1129 L1141 V1144 | I1116-A1132 HydrophobicContact CD1-CB 4.43Å; A1128-A1132 VanDerWaalsContact O-CB 3.3Å; A1128-A1132 WeakPolarHBondContact O-CB 3.27Å; A1128-A1132 PolarHBondContact O-N 3.49Å; F1129-A1132 PolarHBondContact O-N 3.34Å; A1132-L1141 HydrophobicContact CB-CG 4Å; A1132-V1144 HydrophobicContact CB-CG2 4.07Å |
| 1133 | Q | 77.7 | Confident | 77.6 | Confident | 123 Ų | 123 | 56.6 Ų | 56.6 | 58% | 0.575 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -77.8 | -40.3 | 176.7 | -75.6 | 176.7 | 8.7 | 0 | 0 | 112.6 | F1129 L1141 | F1129-Q1133 VanDerWaalsContact O-CB 3.32Å; F1129-Q1133 WeakPolarHBondContact O-CB 3.48Å; F1129-Q1133 WeakPolarHBondContact O-CG 3.45Å; F1129-Q1133 PolarHBondContact O-N 3.28Å; Q1133-L1141 HydrophobicContact CG-CD1 3.8Å; Q1133-L1141 HydrophobicContact CG-CD2 4.01Å; Q1133-L1141 HydrophobicContact CG-CG 4.25Å |
| 1134 | S | 72.1 | Confident | 77.8 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -89.3 | -23.3 | -175.8 | -45.4 | 0 | 0 | 0 | 0 | 112.3 | E1130 | E1130-S1134 VanDerWaalsContact O-CB 3.23Å; E1130-S1134 WeakPolarHBondContact O-CB 3.49Å; E1130-S1134 PolarHBondContact O-N 2.88Å; E1130-S1134 PolarHBondContact O-OG 3.41Å |
| 1135 | G | 61.7 | Low | 78.1 | Confident | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -80.1 | 147.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1103 L1131 C1137 | V1103-G1135 VanDerWaalsContact CG1-CA 3.45Å; L1131-G1135 WeakPolarHBondContact O-CA 3.31Å; L1131-G1135 PolarHBondContact O-N 2.87Å; G1135-C1137 PolarHBondContact O-N 2.99Å |
| 1136 | S | 61.5 | Low | 78.2 | Confident | 115 Ų | 115 | 54.4 Ų | 54.4 | 80% | 0.804 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -58.1 | 4.4 | 172.9 | -42.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1137 | C | 63.1 | Low | 78.2 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | trans | -97.4 | 47 | 174.6 | -67.1 | 0 | 0 | 0 | 0 | 111.4 | G1135 E1139 R1140 | G1135-C1137 PolarHBondContact O-N 2.99Å; C1137-E1139 PolarHBondContact O-N 3.33Å; C1137-E1139 VanDerWaalsContact O-N 3.09Å; C1137-R1140 PolarHBondContact O-N 2.91Å | ||
| 1138 | T | 69.1 | Low | 78.5 | Confident | 90 Ų | 90 | 52.9 Ų | 52.9 | 55% | 0.552 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -59.1 | -18.6 | 169.9 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | R1140 L1141 | T1138-R1140 VanDerWaalsContact C-N 3.3Å; T1138-R1140 PolarHBondContact O-N 3.29Å; T1138-L1141 WeakPolarHBondContact O-CB 3.29Å |
| 1139 | E | 75.1 | Confident | 78.7 | Confident | 179 Ų | 179 | 52.9 Ų | 52.9 | 84% | 0.836 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -66.9 | -23.8 | 172.2 | -62 | -177.6 | 171.2 | 0 | 0 | 113.8 | C1137 P1142 | C1137-E1139 PolarHBondContact O-N 3.33Å; C1137-E1139 VanDerWaalsContact O-N 3.09Å; E1139-P1142 WeakPolarHBondContact O-CD 3.49Å |
| 1140 | R | 78.1 | Confident | 78.8 | Confident | 57 Ų | 57 | 56 Ų | 56 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -94.5 | -5.6 | 178.7 | -72.5 | -148.7 | -177.6 | -146.2 | 21.4 | 114.5 | E1113 C1137 T1138 P1142 E1143 V1144 | E1113-R1140 IonicContact OE2-CZ 3.36Å; E1113-R1140 IonicContact OE2-NH2 3.36Å; E1113-R1140 PolarHBondContact OE2-NH2 2.89Å; C1137-R1140 PolarHBondContact O-N 2.91Å; T1138-R1140 VanDerWaalsContact C-N 3.3Å; T1138-R1140 PolarHBondContact O-N 3.29Å; R1140-P1142 VanDerWaalsContact C-CD 3.43Å; R1140-P1142 VanDerWaalsContact C-N 3.3Å; R1140-E1143 VanDerWaalsContact CD-OE2 3.26Å; R1140-E1143 WeakPolarHBondContact CD-OE2 3.08Å; R1140-E1143 IonicContact CZ-OE2 2.74Å; R1140-E1143 IonicContact NE-OE2 2.78Å; R1140-E1143 IonicContact NH1-OE2 3.8Å; R1140-E1143 PolarHBondContact NH1-OE2 2.88Å; R1140-E1143 WeakPolarHBondContact O-CA 3.32Å; R1140-E1143 VanDerWaalsContact O-CB 3.32Å; R1140-E1143 WeakPolarHBondContact O-CB 3.22Å; R1140-E1143 PolarHBondContact O-N 3.19Å; R1140-V1144 PolarHBondContact O-N 3.35Å; R1140-V1144 VanDerWaalsContact O-N 3.08Å |
| 1141 | L | 82 | Confident | 79 | Confident | 33 Ų | 33 | 55 Ų | 55 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -50.6 | -43.8 | 171.6 | -111.9 | 150.7 | 0 | 0 | 0 | 113.2 | F1129 A1132 Q1133 T1138 E1143 V1144 H1145 | F1129-L1141 HydrophobicContact CD1-CD2 4.11Å; A1132-L1141 HydrophobicContact CB-CG 4Å; Q1133-L1141 HydrophobicContact CG-CD1 3.8Å; Q1133-L1141 HydrophobicContact CG-CD2 4.01Å; Q1133-L1141 HydrophobicContact CG-CG 4.25Å; T1138-L1141 WeakPolarHBondContact O-CB 3.29Å; L1141-E1143 VanDerWaalsContact C-N 3.3Å; L1141-E1143 PolarHBondContact O-N 3.41Å; L1141-V1144 PolarHBondContact O-N 2.99Å; L1141-H1145 PolarHBondContact O-CD2 3.38Å; L1141-H1145 VanDerWaalsContact O-CD2 3.28Å; L1141-H1145 PolarHBondContact O-N 3.05Å |
| 1142 | P | 81.6 | Confident | 79.2 | Confident | 56 Ų | 56 | 55 Ų | 55 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60 | -35.7 | 173.1 | -24.8 | 35.5 | 0 | 0 | 0 | 113.6 | E1139 R1140 N1146 A1168 | E1139-P1142 WeakPolarHBondContact O-CD 3.49Å; R1140-P1142 VanDerWaalsContact C-CD 3.43Å; R1140-P1142 VanDerWaalsContact C-N 3.3Å; P1142-N1146 VanDerWaalsContact O-CB 3.31Å; P1142-N1146 WeakPolarHBondContact O-CB 3.46Å; P1142-N1146 PolarHBondContact O-N 3.39Å; P1142-A1168 WeakPolarHBondContact CB-O 3.4Å; P1142-A1168 WeakPolarHBondContact O-CB 3.37Å |
| 1143 | E | 82.1 | Confident | 79.6 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 176 | -97 | -176.1 | 173.3 | 0 | 0 | 112.4 | R1140 L1141 N1146 K1147 | R1140-E1143 VanDerWaalsContact CD-OE2 3.26Å; R1140-E1143 WeakPolarHBondContact CD-OE2 3.08Å; R1140-E1143 IonicContact CZ-OE2 2.74Å; R1140-E1143 IonicContact NE-OE2 2.78Å; R1140-E1143 IonicContact NH1-OE2 3.8Å; R1140-E1143 PolarHBondContact NH1-OE2 2.88Å; R1140-E1143 WeakPolarHBondContact O-CA 3.32Å; R1140-E1143 VanDerWaalsContact O-CB 3.32Å; R1140-E1143 WeakPolarHBondContact O-CB 3.22Å; R1140-E1143 PolarHBondContact O-N 3.19Å; L1141-E1143 VanDerWaalsContact C-N 3.3Å; L1141-E1143 PolarHBondContact O-N 3.41Å; E1143-N1146 WeakPolarHBondContact O-CB 3.21Å; E1143-N1146 PolarHBondContact O-N 2.93Å; E1143-K1147 PolarHBondContact O-N 3.35Å |
| 1144 | V | 84.7 | Confident | 79.8 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.4 | -44.9 | 176.2 | -178 | 0 | 0 | 0 | 0 | 110.7 | I1116 T1120 A1128 F1129 A1132 R1140 L1141 N1146 K1147 Y1148 | I1116-V1144 HydrophobicContact CG2-CG2 3.53Å; T1120-V1144 HydrophobicContact CG2-CG1 4.18Å; T1120-V1144 HydrophobicContact CG2-CG2 4.38Å; A1128-V1144 HydrophobicContact CB-CG1 3.62Å; A1128-V1144 HydrophobicContact CB-CG2 4.42Å; F1129-V1144 HydrophobicContact CD1-CB 4.32Å; F1129-V1144 HydrophobicContact CD1-CG1 3.76Å; F1129-V1144 HydrophobicContact CD2-CG1 4.46Å; F1129-V1144 HydrophobicContact CE1-CB 4.07Å; F1129-V1144 HydrophobicContact CE1-CG1 3.62Å; F1129-V1144 HydrophobicContact CE2-CG1 4.36Å; F1129-V1144 HydrophobicContact CG-CG1 4.17Å; F1129-V1144 HydrophobicContact CZ-CG1 3.94Å; A1132-V1144 HydrophobicContact CB-CG2 4.07Å; R1140-V1144 PolarHBondContact O-N 3.35Å; R1140-V1144 VanDerWaalsContact O-N 3.08Å; L1141-V1144 PolarHBondContact O-N 2.99Å; V1144-N1146 VanDerWaalsContact C-N 3.25Å; V1144-N1146 PolarHBondContact O-N 3.15Å; V1144-K1147 PolarHBondContact O-N 2.89Å; V1144-Y1148 WeakPolarHBondContact O-CB 3.15Å; V1144-Y1148 PolarHBondContact O-N 2.96Å |
| 1145 | H | 87.4 | Confident | 80.4 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 14% | 0.139 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.6 | -39 | 172.5 | -80.3 | -64.4 | 0 | 0 | 0 | 111.5 | F1129 L1141 Y1148 A1149 Q1164 K1167 A1168 | F1129-H1145 HydrophobicContact CE1-CB 4.44Å; F1129-H1145 AromaticContact CE1-CD2 3.67Å; F1129-H1145 AromaticContact CE1-CE1 3.24Å; F1129-H1145 WeakPolarHBondContact CE1-CE1 3.47Å; F1129-H1145 AromaticContact CE1-CG 3.58Å; F1129-H1145 AromaticContact CE1-ND1 3.34Å; F1129-H1145 VanDerWaalsContact CE1-ND1 3.34Å; F1129-H1145 WeakPolarHBondContact CE1-ND1 3.41Å; F1129-H1145 AromaticContact CE1-NE2 3.47Å; F1129-H1145 WeakPolarHBondContact CE1-NE2 3.38Å; F1129-H1145 AromaticContact CZ-CE1 3.53Å; F1129-H1145 AromaticContact CZ-CG 3.93Å; F1129-H1145 AromaticContact CZ-ND1 3.35Å; F1129-H1145 WeakPolarHBondContact CZ-ND1 3.17Å; L1141-H1145 PolarHBondContact O-CD2 3.38Å; L1141-H1145 VanDerWaalsContact O-CD2 3.28Å; L1141-H1145 PolarHBondContact O-N 3.05Å; H1145-Y1148 PolarHBondContact O-N 2.87Å; H1145-A1149 VanDerWaalsContact O-CB 3.28Å; H1145-A1149 WeakPolarHBondContact O-CB 3.47Å; H1145-A1149 PolarHBondContact O-N 2.81Å; H1145-Q1164 PolarHBondContact CE1-OE1 3.42Å; H1145-Q1164 PolarHBondContact ND1-OE1 3.05Å; H1145-K1167 HydrophobicContact CB-CB 4.46Å; H1145-A1168 HydrophobicContact CB-CB 3.65Å |
| 1146 | N | 87.6 | Confident | 81.3 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66 | -48.2 | 177.6 | -166.6 | 47.5 | 0 | 0 | 0 | 112.4 | P1142 E1143 V1144 Y1148 A1149 M1150 F1165 A1168 K1170 | P1142-N1146 VanDerWaalsContact O-CB 3.31Å; P1142-N1146 WeakPolarHBondContact O-CB 3.46Å; P1142-N1146 PolarHBondContact O-N 3.39Å; E1143-N1146 WeakPolarHBondContact O-CB 3.21Å; E1143-N1146 PolarHBondContact O-N 2.93Å; V1144-N1146 VanDerWaalsContact C-N 3.25Å; V1144-N1146 PolarHBondContact O-N 3.15Å; N1146-Y1148 VanDerWaalsContact C-N 3.31Å; N1146-Y1148 PolarHBondContact O-N 2.78Å; N1146-A1149 WeakPolarHBondContact O-CB 3.4Å; N1146-A1149 PolarHBondContact O-N 2.88Å; N1146-M1150 VanDerWaalsContact O-CG 3.32Å; N1146-M1150 WeakPolarHBondContact O-CG 3.33Å; N1146-M1150 PolarHBondContact O-N 2.88Å; N1146-F1165 WeakPolarHBondContact OD1-CD1 3.32Å; N1146-F1165 VanDerWaalsContact OD1-CE1 3.3Å; N1146-F1165 WeakPolarHBondContact OD1-CE1 3.36Å; N1146-A1168 HydrophobicContact CB-CB 4.07Å; N1146-K1170 PolarHBondContact ND2-NZ 3.27Å |
| 1147 | K | 85.3 | Confident | 82.4 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 30% | 0.3 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 176.5 | -76.3 | -172.2 | 176.1 | 177.6 | 0 | 112 | D1117 T1120 F1125 E1143 V1144 M1150 F1151 | D1117-K1147 IonicContact OD1-NZ 2.82Å; D1117-K1147 PolarHBondContact OD1-NZ 2.82Å; T1120-K1147 VanDerWaalsContact CB-CD 3.45Å; T1120-K1147 HydrophobicContact CG2-CB 4.26Å; T1120-K1147 HydrophobicContact CG2-CD 3.95Å; T1120-K1147 VanDerWaalsContact OG1-CD 3.22Å; T1120-K1147 WeakPolarHBondContact OG1-CD 3.32Å; T1120-K1147 PolarHBondContact OG1-NZ 3.41Å; T1120-K1147 VanDerWaalsContact OG1-NZ 3.13Å; F1125-K1147 HydrophobicContact CE1-CB 4.29Å; E1143-K1147 PolarHBondContact O-N 3.35Å; V1144-K1147 PolarHBondContact O-N 2.89Å; K1147-M1150 PolarHBondContact O-N 3.38Å; K1147-F1151 PolarHBondContact O-N 3.34Å |
| 1148 | Y | 88.8 | Confident | 83.6 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 174.6 | -172.8 | -144.7 | 0 | 0 | 0 | 111.6 | F1125 F1129 V1144 H1145 N1146 F1151 L1152 Q1164 | F1125-Y1148 HydrophobicContact CB-CD2 3.85Å; F1125-Y1148 HydrophobicContact CB-CE2 4.2Å; F1125-Y1148 HydrophobicContact CB-CG 4.08Å; F1125-Y1148 AromaticContact CD1-CD2 3.8Å; F1125-Y1148 HydrophobicContact CD1-CD2 3.8Å; F1125-Y1148 AromaticContact CD1-CG 3.93Å; F1125-Y1148 HydrophobicContact CD1-CG 3.93Å; F1125-Y1148 AromaticContact CD2-CD2 3.23Å; F1125-Y1148 HydrophobicContact CD2-CD2 3.23Å; F1125-Y1148 AromaticContact CD2-CE2 3.64Å; F1125-Y1148 HydrophobicContact CD2-CE2 3.64Å; F1125-Y1148 HydrophobicContact CD2-CG 4.16Å; F1125-Y1148 VanDerWaalsContact CE1-CA 3.46Å; F1125-Y1148 HydrophobicContact CE1-CD2 4.16Å; F1125-Y1148 HydrophobicContact CE1-CG 4.43Å; F1125-Y1148 AromaticContact CE2-CD2 3.63Å; F1125-Y1148 HydrophobicContact CE2-CD2 3.63Å; F1125-Y1148 HydrophobicContact CE2-CE2 4.23Å; F1125-Y1148 AromaticContact CG-CD2 3.32Å; F1125-Y1148 HydrophobicContact CG-CD2 3.32Å; F1125-Y1148 AromaticContact CG-CE2 3.98Å; F1125-Y1148 HydrophobicContact CG-CE2 3.98Å; F1125-Y1148 AromaticContact CG-CG 3.78Å; F1125-Y1148 HydrophobicContact CG-CG 3.78Å; F1125-Y1148 HydrophobicContact CZ-CD2 4.08Å; F1129-Y1148 AromaticContact CE2-CD1 3.77Å; F1129-Y1148 HydrophobicContact CE2-CD1 3.77Å; F1129-Y1148 HydrophobicContact CE2-CE1 4.32Å; F1129-Y1148 HydrophobicContact CE2-CG 4.35Å; F1129-Y1148 AromaticContact CZ-CD1 3.97Å; F1129-Y1148 HydrophobicContact CZ-CD1 3.97Å; V1144-Y1148 WeakPolarHBondContact O-CB 3.15Å; V1144-Y1148 PolarHBondContact O-N 2.96Å; H1145-Y1148 PolarHBondContact O-N 2.87Å; N1146-Y1148 VanDerWaalsContact C-N 3.31Å; N1146-Y1148 PolarHBondContact O-N 2.78Å; Y1148-F1151 HydrophobicContact CD2-CD1 4.36Å; Y1148-F1151 HydrophobicContact CE2-CD1 4.37Å; Y1148-F1151 PolarHBondContact O-N 3.02Å; Y1148-L1152 HydrophobicContact CD1-CD1 4.14Å; Y1148-L1152 HydrophobicContact CD2-CD1 4.11Å; Y1148-L1152 HydrophobicContact CD2-CG 4.13Å; Y1148-L1152 HydrophobicContact CE1-CD1 3.9Å; Y1148-L1152 HydrophobicContact CE2-CD1 3.9Å; Y1148-L1152 HydrophobicContact CE2-CD2 4.1Å; Y1148-L1152 HydrophobicContact CE2-CG 3.9Å; Y1148-L1152 HydrophobicContact CG-CD1 4.24Å; Y1148-L1152 VanDerWaalsContact O-CG 3.27Å; Y1148-L1152 WeakPolarHBondContact O-CG 3.34Å; Y1148-L1152 PolarHBondContact O-N 2.87Å; Y1148-Q1164 HydrophobicContact CD1-CB 4.41Å; Y1148-Q1164 VanDerWaalsContact CD1-CD 3.48Å; Y1148-Q1164 HydrophobicContact CD1-CG 3.55Å; Y1148-Q1164 HydrophobicContact CE1-CG 3.87Å; Y1148-Q1164 HydrophobicContact CG-CG 4.39Å |
| 1149 | A | 87.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H1145 N1146 F1151 L1152 E1153 A1161 Q1164 F1165 | H1145-A1149 VanDerWaalsContact O-CB 3.28Å; H1145-A1149 WeakPolarHBondContact O-CB 3.47Å; H1145-A1149 PolarHBondContact O-N 2.81Å; N1146-A1149 WeakPolarHBondContact O-CB 3.4Å; N1146-A1149 PolarHBondContact O-N 2.88Å; A1149-F1151 PolarHBondContact O-N 2.83Å; A1149-L1152 CarbonylContact O-C 3.5Å; A1149-L1152 PolarHBondContact O-N 3.13Å; A1149-E1153 WeakPolarHBondContact O-CB 3.33Å; A1149-E1153 PolarHBondContact O-N 2.83Å; A1149-A1161 WeakPolarHBondContact O-CB 3.16Å; A1149-Q1164 HydrophobicContact CB-CB 3.64Å; A1149-F1165 HydrophobicContact CB-CB 4.2Å; A1149-F1165 HydrophobicContact CB-CD1 3.38Å; A1149-F1165 HydrophobicContact CB-CD2 3.61Å; A1149-F1165 HydrophobicContact CB-CE1 3.49Å; A1149-F1165 VanDerWaalsContact CB-CE1 3.49Å; A1149-F1165 HydrophobicContact CB-CE2 3.72Å; A1149-F1165 HydrophobicContact CB-CG 3.43Å; A1149-F1165 VanDerWaalsContact CB-CG 3.43Å; A1149-F1165 HydrophobicContact CB-CZ 3.66Å |
| 1150 | M | 86.3 | Confident | 84.9 | Confident | 91 Ų | 91 | 58.9 Ų | 58.9 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 174.6 | -68.1 | 175.1 | 75 | 0 | 0 | 112.3 | N1146 K1147 E1153 D1154 F1165 | N1146-M1150 VanDerWaalsContact O-CG 3.32Å; N1146-M1150 WeakPolarHBondContact O-CG 3.33Å; N1146-M1150 PolarHBondContact O-N 2.88Å; K1147-M1150 PolarHBondContact O-N 3.38Å; M1150-E1153 WeakPolarHBondContact O-CB 3.27Å; M1150-E1153 PolarHBondContact O-N 2.79Å; M1150-D1154 PolarHBondContact O-N 3.09Å; M1150-F1165 HydrophobicContact CG-CE1 4.18Å; M1150-F1165 HydrophobicContact CG-CZ 4.1Å |
| 1151 | F | 86.3 | Confident | 85.4 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 174 | 172.5 | -97.1 | 0 | 0 | 0 | 112 | C1123 F1125 K1147 Y1148 A1149 E1153 D1154 E1155 | C1123-F1151 HydrophobicContact CB-CD2 4.42Å; C1123-F1151 HydrophobicContact CB-CE2 4.06Å; C1123-F1151 HydrophobicContact CB-CZ 4.32Å; C1123-F1151 VanDerWaalsContact SG-CD2 3.56Å; C1123-F1151 WeakPolarHBondContact SG-CE2 3.36Å; F1125-F1151 HydrophobicContact CD2-CD1 4.35Å; F1125-F1151 HydrophobicContact CE2-CB 3.73Å; F1125-F1151 AromaticContact CE2-CD1 3.55Å; F1125-F1151 HydrophobicContact CE2-CD1 3.55Å; F1125-F1151 HydrophobicContact CE2-CD2 4.18Å; F1125-F1151 HydrophobicContact CE2-CE1 4.22Å; F1125-F1151 AromaticContact CE2-CG 3.53Å; F1125-F1151 HydrophobicContact CE2-CG 3.53Å; F1125-F1151 HydrophobicContact CZ-CB 3.51Å; F1125-F1151 HydrophobicContact CZ-CD1 4.26Å; F1125-F1151 HydrophobicContact CZ-CD2 4.46Å; F1125-F1151 AromaticContact CZ-CG 3.83Å; F1125-F1151 HydrophobicContact CZ-CG 3.83Å; K1147-F1151 PolarHBondContact O-N 3.34Å; Y1148-F1151 HydrophobicContact CD2-CD1 4.36Å; Y1148-F1151 HydrophobicContact CE2-CD1 4.37Å; Y1148-F1151 PolarHBondContact O-N 3.02Å; A1149-F1151 PolarHBondContact O-N 2.83Å; F1151-E1153 VanDerWaalsContact C-N 3.33Å; F1151-D1154 PolarHBondContact O-N 3.12Å; F1151-E1155 HydrophobicContact CE1-CG 3.96Å; F1151-E1155 HydrophobicContact CE2-CG 4.22Å; F1151-E1155 HydrophobicContact CZ-CG 3.8Å; F1151-E1155 WeakPolarHBondContact CZ-OE1 3.42Å; F1151-E1155 PolarHBondContact O-N 2.96Å |
| 1152 | L | 86.2 | Confident | 85.7 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.4 | -32.6 | 175.8 | -68.9 | 167.6 | 0 | 0 | 0 | 112.1 | Y1148 A1149 G1156 K1157 E1160 A1161 Q1164 | Y1148-L1152 HydrophobicContact CD1-CD1 4.14Å; Y1148-L1152 HydrophobicContact CD2-CD1 4.11Å; Y1148-L1152 HydrophobicContact CD2-CG 4.13Å; Y1148-L1152 HydrophobicContact CE1-CD1 3.9Å; Y1148-L1152 HydrophobicContact CE2-CD1 3.9Å; Y1148-L1152 HydrophobicContact CE2-CD2 4.1Å; Y1148-L1152 HydrophobicContact CE2-CG 3.9Å; Y1148-L1152 HydrophobicContact CG-CD1 4.24Å; Y1148-L1152 VanDerWaalsContact O-CG 3.27Å; Y1148-L1152 WeakPolarHBondContact O-CG 3.34Å; Y1148-L1152 PolarHBondContact O-N 2.87Å; A1149-L1152 CarbonylContact O-C 3.5Å; A1149-L1152 PolarHBondContact O-N 3.13Å; L1152-G1156 PolarHBondContact O-N 2.79Å; L1152-K1157 HydrophobicContact CB-CB 4.46Å; L1152-K1157 HydrophobicContact CD2-CB 4.3Å; L1152-K1157 HydrophobicContact CD2-CD 3.93Å; L1152-K1157 WeakPolarHBondContact O-CA 3.47Å; L1152-K1157 PolarHBondContact O-N 3.15Å; L1152-E1160 HydrophobicContact CD1-CB 3.88Å; L1152-E1160 HydrophobicContact CD2-CB 4.24Å; L1152-E1160 HydrophobicContact CG-CB 4.49Å; L1152-A1161 HydrophobicContact CB-CB 3.79Å; L1152-Q1164 HydrophobicContact CD1-CB 4.43Å; L1152-Q1164 HydrophobicContact CD1-CG 3.67Å |
| 1153 | E | 87.1 | Confident | 85.9 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.6 | -47 | 171.9 | 175.3 | 178 | -165.7 | 0 | 0 | 110.9 | A1149 M1150 F1151 E1155 G1156 F1158 A1161 F1165 M1177 | A1149-E1153 WeakPolarHBondContact O-CB 3.33Å; A1149-E1153 PolarHBondContact O-N 2.83Å; M1150-E1153 WeakPolarHBondContact O-CB 3.27Å; M1150-E1153 PolarHBondContact O-N 2.79Å; F1151-E1153 VanDerWaalsContact C-N 3.33Å; E1153-E1155 VanDerWaalsContact C-N 3.35Å; E1153-E1155 PolarHBondContact O-N 2.91Å; E1153-G1156 WeakPolarHBondContact O-CA 3.27Å; E1153-G1156 PolarHBondContact O-N 2.88Å; E1153-F1158 HydrophobicContact CG-CE1 4.37Å; E1153-F1158 WeakPolarHBondContact O-CE1 3.49Å; E1153-A1161 HydrophobicContact CB-CB 4.25Å; E1153-F1165 WeakPolarHBondContact OE2-CZ 3.4Å; E1153-M1177 HydrophobicContact CB-CG 4.49Å; E1153-M1177 HydrophobicContact CB-SD 4.23Å; E1153-M1177 HydrophobicContact CG-CG 3.79Å; E1153-M1177 HydrophobicContact CG-SD 4.16Å; E1153-M1177 WeakPolarHBondContact OE1-CB 3.46Å; E1153-M1177 WeakPolarHBondContact OE1-CG 3.4Å |
| 1154 | D | 83.6 | Confident | 86.3 | Confident | 144 Ų | 144 | 54.8 Ų | 54.8 | 77% | 0.77 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.2 | -34.9 | 176.2 | -75.6 | -20 | 0 | 0 | 0 | 112.3 | M1150 F1151 G1156 | M1150-D1154 PolarHBondContact O-N 3.09Å; F1151-D1154 PolarHBondContact O-N 3.12Å; D1154-G1156 PolarHBondContact O-N 2.83Å |
| 1155 | E | 82.9 | Confident | 86.5 | Confident | 102 Ų | 102 | 54.8 Ų | 54.8 | 48% | 0.477 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -6.1 | 170.7 | -76.8 | -148.9 | 150.7 | 0 | 0 | 113.4 | F1151 E1153 K1157 | F1151-E1155 HydrophobicContact CE1-CG 3.96Å; F1151-E1155 HydrophobicContact CE2-CG 4.22Å; F1151-E1155 HydrophobicContact CZ-CG 3.8Å; F1151-E1155 WeakPolarHBondContact CZ-OE1 3.42Å; F1151-E1155 PolarHBondContact O-N 2.96Å; E1153-E1155 VanDerWaalsContact C-N 3.35Å; E1153-E1155 PolarHBondContact O-N 2.91Å; E1155-K1157 VanDerWaalsContact C-N 3.29Å; E1155-K1157 HydrophobicContact CB-CG 4.44Å; E1155-K1157 PolarHBondContact O-N 2.83Å; E1155-K1157 WeakPolarHBondContact OE2-CE 3.44Å; E1155-K1157 IonicContact OE2-NZ 3.88Å; E1155-K1157 PolarHBondContact OE2-NZ 2.77Å |
| 1156 | G | 81.1 | Confident | 86.5 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 12 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1152 E1153 D1154 F1158 | L1152-G1156 PolarHBondContact O-N 2.79Å; E1153-G1156 WeakPolarHBondContact O-CA 3.27Å; E1153-G1156 PolarHBondContact O-N 2.88Å; D1154-G1156 PolarHBondContact O-N 2.83Å; G1156-F1158 VanDerWaalsContact C-N 3.26Å; G1156-F1158 WeakPolarHBondContact O-CD2 3.34Å; G1156-F1158 PolarHBondContact O-N 3.29Å; G1156-F1158 VanDerWaalsContact O-N 3.13Å |
| 1157 | K | 85.8 | Confident | 86.4 | Confident | 86 Ų | 86 | 60 Ų | 60 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | trans | -86.8 | 61.1 | 176.4 | -64.5 | 178.4 | -176.4 | 155.1 | 0 | 110.6 | L1152 E1155 T1159 E1160 A1161 | L1152-K1157 HydrophobicContact CB-CB 4.46Å; L1152-K1157 HydrophobicContact CD2-CB 4.3Å; L1152-K1157 HydrophobicContact CD2-CD 3.93Å; L1152-K1157 WeakPolarHBondContact O-CA 3.47Å; L1152-K1157 PolarHBondContact O-N 3.15Å; E1155-K1157 VanDerWaalsContact C-N 3.29Å; E1155-K1157 HydrophobicContact CB-CG 4.44Å; E1155-K1157 PolarHBondContact O-N 2.83Å; E1155-K1157 WeakPolarHBondContact OE2-CE 3.44Å; E1155-K1157 IonicContact OE2-NZ 3.88Å; E1155-K1157 PolarHBondContact OE2-NZ 2.77Å; K1157-T1159 VanDerWaalsContact C-N 3.26Å; K1157-T1159 PolarHBondContact O-N 2.77Å; K1157-T1159 VanDerWaalsContact O-N 3.14Å; K1157-E1160 HydrophobicContact CB-CB 4.25Å; K1157-E1160 HydrophobicContact CB-CG 4.46Å; K1157-E1160 WeakPolarHBondContact CD-OE2 3.33Å; K1157-E1160 PolarHBondContact O-N 2.87Å; K1157-A1161 PolarHBondContact O-N 3.35Å | ||
| 1158 | F | 87.1 | Confident | 86.3 | Confident | 68 Ų | 68 | 57 Ų | 57 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.5 | -34.5 | -172.1 | -54.2 | -57.9 | 0 | 0 | 0 | 114.2 | E1153 G1156 A1161 E1162 M1177 Y1178 N1181 | E1153-F1158 HydrophobicContact CG-CE1 4.37Å; E1153-F1158 WeakPolarHBondContact O-CE1 3.49Å; G1156-F1158 VanDerWaalsContact C-N 3.26Å; G1156-F1158 WeakPolarHBondContact O-CD2 3.34Å; G1156-F1158 PolarHBondContact O-N 3.29Å; G1156-F1158 VanDerWaalsContact O-N 3.13Å; F1158-A1161 PolarHBondContact O-N 3.39Å; F1158-E1162 WeakPolarHBondContact O-CB 3.32Å; F1158-E1162 PolarHBondContact O-N 3.3Å; F1158-M1177 HydrophobicContact CB-CE 3.92Å; F1158-M1177 HydrophobicContact CB-SD 4.16Å; F1158-M1177 HydrophobicContact CD1-CE 4.45Å; F1158-M1177 HydrophobicContact CD1-CG 4.07Å; F1158-M1177 HydrophobicContact CD1-SD 3.78Å; F1158-M1177 HydrophobicContact CG-SD 4.44Å; F1158-Y1178 HydrophobicContact CB-CE1 3.88Å; F1158-N1181 WeakPolarHBondContact CE1-ND2 3.22Å; F1158-N1181 WeakPolarHBondContact CZ-ND2 3.4Å |
| 1159 | T | 85.9 | Confident | 86 | Confident | 98 Ų | 98 | 57.2 Ų | 57.2 | 60% | 0.601 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -68.2 | -37.8 | 177.3 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | K1157 E1163 | K1157-T1159 VanDerWaalsContact C-N 3.26Å; K1157-T1159 PolarHBondContact O-N 2.77Å; K1157-T1159 VanDerWaalsContact O-N 3.14Å; T1159-E1163 PolarHBondContact O-N 2.66Å |
| 1160 | E | 85.8 | Confident | 85.7 | Confident | 88 Ų | 88 | 61.2 Ų | 61.2 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -75.3 | -37.7 | 176.2 | -61.5 | -179.4 | -169.8 | 0 | 0 | 110.2 | L1152 K1157 E1162 E1163 Q1164 | L1152-E1160 HydrophobicContact CD1-CB 3.88Å; L1152-E1160 HydrophobicContact CD2-CB 4.24Å; L1152-E1160 HydrophobicContact CG-CB 4.49Å; K1157-E1160 HydrophobicContact CB-CB 4.25Å; K1157-E1160 HydrophobicContact CB-CG 4.46Å; K1157-E1160 WeakPolarHBondContact CD-OE2 3.33Å; K1157-E1160 PolarHBondContact O-N 2.87Å; E1160-E1162 VanDerWaalsContact C-N 3.34Å; E1160-E1162 PolarHBondContact O-N 3.22Å; E1160-E1163 PolarHBondContact O-N 3.35Å; E1160-Q1164 WeakPolarHBondContact O-CG 3.44Å; E1160-Q1164 PolarHBondContact O-N 2.98Å; E1160-Q1164 VanDerWaalsContact O-N 3.11Å |
| 1161 | A | 87.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1149 L1152 E1153 K1157 F1158 E1163 Q1164 F1165 M1177 | A1149-A1161 WeakPolarHBondContact O-CB 3.16Å; L1152-A1161 HydrophobicContact CB-CB 3.79Å; E1153-A1161 HydrophobicContact CB-CB 4.25Å; K1157-A1161 PolarHBondContact O-N 3.35Å; F1158-A1161 PolarHBondContact O-N 3.39Å; A1161-E1163 PolarHBondContact O-N 3.18Å; A1161-Q1164 PolarHBondContact O-N 2.88Å; A1161-Q1164 VanDerWaalsContact O-N 3.14Å; A1161-F1165 HydrophobicContact CB-CD2 4.32Å; A1161-F1165 HydrophobicContact CB-CE2 4.21Å; A1161-F1165 WeakPolarHBondContact O-CB 3.44Å; A1161-F1165 WeakPolarHBondContact O-CD2 3.33Å; A1161-F1165 PolarHBondContact O-N 3.44Å; A1161-M1177 HydrophobicContact CB-SD 3.74Å |
| 1162 | E | 88.5 | Confident | 85.5 | Confident | 18 Ų | 18 | 61.5 Ų | 61.5 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.1 | -50.8 | 173.8 | 173.6 | -175.6 | 157.5 | 0 | 0 | 111.2 | F1158 E1160 Q1164 F1165 I1166 Y1178 R1189 V1190 | F1158-E1162 WeakPolarHBondContact O-CB 3.32Å; F1158-E1162 PolarHBondContact O-N 3.3Å; E1160-E1162 VanDerWaalsContact C-N 3.34Å; E1160-E1162 PolarHBondContact O-N 3.22Å; E1162-Q1164 VanDerWaalsContact C-N 3.27Å; E1162-Q1164 PolarHBondContact O-N 3.03Å; E1162-F1165 PolarHBondContact O-N 3.45Å; E1162-I1166 HydrophobicContact CG-CD1 3.72Å; E1162-I1166 WeakPolarHBondContact O-CB 3.41Å; E1162-I1166 WeakPolarHBondContact O-CD1 3.3Å; E1162-I1166 WeakPolarHBondContact O-CG1 3.43Å; E1162-I1166 PolarHBondContact O-N 3.33Å; E1162-Y1178 HydrophobicContact CB-CE2 4.2Å; E1162-Y1178 HydrophobicContact CG-CE2 4.32Å; E1162-Y1178 VanDerWaalsContact OE2-CE2 3.32Å; E1162-Y1178 WeakPolarHBondContact OE2-CE2 3.45Å; E1162-Y1178 PolarHBondContact OE2-OH 3.44Å; E1162-R1189 IonicContact OE1-CZ 2.81Å; E1162-R1189 IonicContact OE1-NH1 2.71Å; E1162-R1189 PolarHBondContact OE1-NH1 3.19Å; E1162-R1189 IonicContact OE1-NH2 3.74Å; E1162-R1189 PolarHBondContact OE1-NH2 3.07Å; E1162-R1189 IonicContact OE2-CZ 3.86Å; E1162-R1189 IonicContact OE2-NH1 3.96Å; E1162-R1189 IonicContact OE2-NH2 3.3Å; E1162-R1189 PolarHBondContact OE2-NH2 3.36Å; E1162-V1190 HydrophobicContact CG-CG2 3.8Å; E1162-V1190 WeakPolarHBondContact OE1-CG2 3.48Å |
| 1163 | E | 87.1 | Confident | 85.4 | Confident | 112 Ų | 112 | 65 Ų | 65 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -39.1 | 178.1 | -74.9 | -166.3 | -174.2 | 0 | 0 | 112.7 | T1159 E1160 A1161 K1167 | T1159-E1163 PolarHBondContact O-N 2.66Å; E1160-E1163 PolarHBondContact O-N 3.35Å; A1161-E1163 PolarHBondContact O-N 3.18Å; E1163-K1167 VanDerWaalsContact O-CG 3.27Å; E1163-K1167 WeakPolarHBondContact O-CG 3.46Å; E1163-K1167 PolarHBondContact O-N 3.47Å; E1163-K1167 VanDerWaalsContact O-N 3.08Å; E1163-K1167 IonicContact OE2-NZ 2.73Å; E1163-K1167 PolarHBondContact OE2-NZ 2.81Å |
| 1164 | Q | 89.2 | Confident | 85.3 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -76.5 | -38.4 | -178.7 | -62.7 | -58.5 | -30.3 | 0 | 0 | 112.3 | H1145 Y1148 A1149 L1152 E1160 A1161 E1162 I1166 K1167 A1168 | H1145-Q1164 PolarHBondContact CE1-OE1 3.42Å; H1145-Q1164 PolarHBondContact ND1-OE1 3.05Å; Y1148-Q1164 HydrophobicContact CD1-CB 4.41Å; Y1148-Q1164 VanDerWaalsContact CD1-CD 3.48Å; Y1148-Q1164 HydrophobicContact CD1-CG 3.55Å; Y1148-Q1164 HydrophobicContact CE1-CG 3.87Å; Y1148-Q1164 HydrophobicContact CG-CG 4.39Å; A1149-Q1164 HydrophobicContact CB-CB 3.64Å; L1152-Q1164 HydrophobicContact CD1-CB 4.43Å; L1152-Q1164 HydrophobicContact CD1-CG 3.67Å; E1160-Q1164 WeakPolarHBondContact O-CG 3.44Å; E1160-Q1164 PolarHBondContact O-N 2.98Å; E1160-Q1164 VanDerWaalsContact O-N 3.11Å; A1161-Q1164 PolarHBondContact O-N 2.88Å; A1161-Q1164 VanDerWaalsContact O-N 3.14Å; E1162-Q1164 VanDerWaalsContact C-N 3.27Å; E1162-Q1164 PolarHBondContact O-N 3.03Å; Q1164-I1166 VanDerWaalsContact C-N 3.31Å; Q1164-I1166 PolarHBondContact O-N 3.49Å; Q1164-K1167 CarbonylContact O-C 3.53Å; Q1164-K1167 PolarHBondContact O-N 3.23Å; Q1164-A1168 WeakPolarHBondContact O-CB 3.27Å; Q1164-A1168 PolarHBondContact O-N 2.94Å |
| 1165 | F | 90.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 172.5 | -80.8 | -52.8 | 0 | 0 | 0 | 112 | N1146 A1149 M1150 E1153 A1161 E1162 A1168 G1169 K1170 E1173 A1174 M1177 | N1146-F1165 WeakPolarHBondContact OD1-CD1 3.32Å; N1146-F1165 VanDerWaalsContact OD1-CE1 3.3Å; N1146-F1165 WeakPolarHBondContact OD1-CE1 3.36Å; A1149-F1165 HydrophobicContact CB-CB 4.2Å; A1149-F1165 HydrophobicContact CB-CD1 3.38Å; A1149-F1165 HydrophobicContact CB-CD2 3.61Å; A1149-F1165 HydrophobicContact CB-CE1 3.49Å; A1149-F1165 VanDerWaalsContact CB-CE1 3.49Å; A1149-F1165 HydrophobicContact CB-CE2 3.72Å; A1149-F1165 HydrophobicContact CB-CG 3.43Å; A1149-F1165 VanDerWaalsContact CB-CG 3.43Å; A1149-F1165 HydrophobicContact CB-CZ 3.66Å; M1150-F1165 HydrophobicContact CG-CE1 4.18Å; M1150-F1165 HydrophobicContact CG-CZ 4.1Å; E1153-F1165 WeakPolarHBondContact OE2-CZ 3.4Å; A1161-F1165 HydrophobicContact CB-CD2 4.32Å; A1161-F1165 HydrophobicContact CB-CE2 4.21Å; A1161-F1165 WeakPolarHBondContact O-CB 3.44Å; A1161-F1165 WeakPolarHBondContact O-CD2 3.33Å; A1161-F1165 PolarHBondContact O-N 3.44Å; E1162-F1165 PolarHBondContact O-N 3.45Å; F1165-A1168 WeakPolarHBondContact O-CB 3.25Å; F1165-A1168 PolarHBondContact O-N 3.21Å; F1165-G1169 PolarHBondContact O-N 3.33Å; F1165-K1170 CarbonylContact O-C 3.59Å; F1165-K1170 PolarHBondContact O-N 3.05Å; F1165-K1170 VanDerWaalsContact O-N 3.11Å; F1165-E1173 HydrophobicContact CD1-CB 3.55Å; F1165-E1173 HydrophobicContact CD1-CG 4.49Å; F1165-E1173 HydrophobicContact CE1-CB 3.62Å; F1165-E1173 HydrophobicContact CE1-CG 4.47Å; F1165-E1173 HydrophobicContact CG-CB 4.16Å; F1165-E1173 HydrophobicContact CZ-CB 4.27Å; F1165-A1174 HydrophobicContact CB-CB 3.68Å; F1165-A1174 HydrophobicContact CD2-CB 4.01Å; F1165-A1174 HydrophobicContact CG-CB 4.17Å; F1165-M1177 HydrophobicContact CD2-SD 4.38Å; F1165-M1177 HydrophobicContact CE2-CB 4.32Å; F1165-M1177 HydrophobicContact CE2-SD 4.02Å |
| 1166 | I | 86.5 | Confident | 85.4 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 173.1 | -66.9 | 159.9 | 0 | 0 | 0 | 110.3 | E1162 Q1164 A1168 G1169 H1194 | E1162-I1166 HydrophobicContact CG-CD1 3.72Å; E1162-I1166 WeakPolarHBondContact O-CB 3.41Å; E1162-I1166 WeakPolarHBondContact O-CD1 3.3Å; E1162-I1166 WeakPolarHBondContact O-CG1 3.43Å; E1162-I1166 PolarHBondContact O-N 3.33Å; Q1164-I1166 VanDerWaalsContact C-N 3.31Å; Q1164-I1166 PolarHBondContact O-N 3.49Å; I1166-A1168 VanDerWaalsContact C-N 3.27Å; I1166-A1168 PolarHBondContact O-N 2.8Å; I1166-G1169 PolarHBondContact O-N 3.19Å; I1166-G1169 VanDerWaalsContact O-N 3.11Å; I1166-H1194 WeakPolarHBondContact CD1-CD2 3.39Å; I1166-H1194 WeakPolarHBondContact CD1-NE2 3.47Å |
| 1167 | K | 85 | Confident | 85.6 | Confident | 110 Ų | 110 | 52.7 Ų | 52.7 | 48% | 0.478 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.6 | -29.6 | 174.5 | -71.3 | 166.4 | -169.2 | 159.6 | 0 | 112.7 | H1145 E1163 Q1164 G1169 | H1145-K1167 HydrophobicContact CB-CB 4.46Å; E1163-K1167 VanDerWaalsContact O-CG 3.27Å; E1163-K1167 WeakPolarHBondContact O-CG 3.46Å; E1163-K1167 PolarHBondContact O-N 3.47Å; E1163-K1167 VanDerWaalsContact O-N 3.08Å; E1163-K1167 IonicContact OE2-NZ 2.73Å; E1163-K1167 PolarHBondContact OE2-NZ 2.81Å; Q1164-K1167 CarbonylContact O-C 3.53Å; Q1164-K1167 PolarHBondContact O-N 3.23Å; K1167-G1169 PolarHBondContact O-N 2.93Å |
| 1168 | A | 84.1 | Confident | 85.7 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1142 H1145 N1146 Q1164 F1165 I1166 K1170 | P1142-A1168 WeakPolarHBondContact CB-O 3.4Å; P1142-A1168 WeakPolarHBondContact O-CB 3.37Å; H1145-A1168 HydrophobicContact CB-CB 3.65Å; N1146-A1168 HydrophobicContact CB-CB 4.07Å; Q1164-A1168 WeakPolarHBondContact O-CB 3.27Å; Q1164-A1168 PolarHBondContact O-N 2.94Å; F1165-A1168 WeakPolarHBondContact O-CB 3.25Å; F1165-A1168 PolarHBondContact O-N 3.21Å; I1166-A1168 VanDerWaalsContact C-N 3.27Å; I1166-A1168 PolarHBondContact O-N 2.8Å; A1168-K1170 PolarHBondContact O-N 2.67Å |
| 1169 | G | 81.6 | Confident | 85.5 | Confident | 62 Ų | 62 | 47 Ų | 47 | 64% | 0.639 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 15.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1165 I1166 K1167 P1171 | F1165-G1169 PolarHBondContact O-N 3.33Å; I1166-G1169 PolarHBondContact O-N 3.19Å; I1166-G1169 VanDerWaalsContact O-N 3.11Å; K1167-G1169 PolarHBondContact O-N 2.93Å; G1169-P1171 VanDerWaalsContact O-CD 3.25Å; G1169-P1171 WeakPolarHBondContact O-CD 3.23Å |
| 1170 | K | 82.8 | Confident | 85.4 | Confident | 83 Ų | 83 | 49.4 Ų | 49.4 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | trans | -117 | 59.9 | 177 | -64.6 | -171.2 | -176.4 | -179.9 | 0 | 110.6 | N1146 F1165 A1168 R1172 E1173 | N1146-K1170 PolarHBondContact ND2-NZ 3.27Å; F1165-K1170 CarbonylContact O-C 3.59Å; F1165-K1170 PolarHBondContact O-N 3.05Å; F1165-K1170 VanDerWaalsContact O-N 3.11Å; A1168-K1170 PolarHBondContact O-N 2.67Å; K1170-R1172 PolarHBondContact O-N 2.92Å; K1170-R1172 VanDerWaalsContact O-N 3.12Å; K1170-E1173 HydrophobicContact CB-CB 4.24Å; K1170-E1173 HydrophobicContact CB-CG 3.79Å; K1170-E1173 HydrophobicContact CD-CG 3.9Å; K1170-E1173 HydrophobicContact CG-CG 4.47Å; K1170-E1173 PolarHBondContact O-N 3.19Å | ||
| 1171 | P | 83.5 | Confident | 85.1 | Confident | 22 Ų | 22 | 49.1 Ų | 49.1 | 14% | 0.143 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.5 | -28.1 | 175.6 | 26.5 | -35.3 | 0 | 0 | 0 | 111.9 | G1169 E1173 A1174 V1175 H1194 D1195 | G1169-P1171 VanDerWaalsContact O-CD 3.25Å; G1169-P1171 WeakPolarHBondContact O-CD 3.23Å; P1171-E1173 VanDerWaalsContact C-N 3.26Å; P1171-E1173 PolarHBondContact O-N 3.49Å; P1171-A1174 WeakPolarHBondContact O-CB 3.42Å; P1171-A1174 PolarHBondContact O-N 3.25Å; P1171-A1174 VanDerWaalsContact O-N 3.16Å; P1171-V1175 WeakPolarHBondContact O-CG2 3.49Å; P1171-V1175 PolarHBondContact O-N 2.93Å; P1171-H1194 HydrophobicContact CB-CB 3.66Å; P1171-H1194 HydrophobicContact CG-CB 4.44Å; P1171-D1195 HydrophobicContact CB-CB 4.01Å; P1171-D1195 HydrophobicContact CG-CB 3.81Å |
| 1172 | R | 83.8 | Confident | 84.7 | Confident | 131 Ų | 131 | 55.6 Ų | 55.6 | 49% | 0.494 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.6 | -32.6 | 172.7 | -167.9 | 164.5 | -172.9 | -163.8 | 1.4 | 114 | K1170 V1175 L1176 S1198 D1201 | K1170-R1172 PolarHBondContact O-N 2.92Å; K1170-R1172 VanDerWaalsContact O-N 3.12Å; R1172-V1175 PolarHBondContact O-N 3.46Å; R1172-L1176 HydrophobicContact CG-CD1 4.34Å; R1172-L1176 WeakPolarHBondContact O-CB 3.28Å; R1172-L1176 VanDerWaalsContact O-CG 3.3Å; R1172-L1176 WeakPolarHBondContact O-CG 3.16Å; R1172-L1176 PolarHBondContact O-N 2.91Å; R1172-S1198 WeakPolarHBondContact CG-OG 3.5Å; R1172-D1201 IonicContact CZ-OD2 4Å; R1172-D1201 IonicContact NE-OD2 3.82Å; R1172-D1201 IonicContact NH2-OD2 3.18Å; R1172-D1201 PolarHBondContact NH2-OD2 3.43Å |
| 1173 | E | 83.8 | Confident | 84.4 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.6 | -38.4 | 175.4 | -61.9 | -69.4 | -177.6 | 0 | 0 | 110.9 | F1165 K1170 P1171 V1175 L1176 M1177 | F1165-E1173 HydrophobicContact CD1-CB 3.55Å; F1165-E1173 HydrophobicContact CD1-CG 4.49Å; F1165-E1173 HydrophobicContact CE1-CB 3.62Å; F1165-E1173 HydrophobicContact CE1-CG 4.47Å; F1165-E1173 HydrophobicContact CG-CB 4.16Å; F1165-E1173 HydrophobicContact CZ-CB 4.27Å; K1170-E1173 HydrophobicContact CB-CB 4.24Å; K1170-E1173 HydrophobicContact CB-CG 3.79Å; K1170-E1173 HydrophobicContact CD-CG 3.9Å; K1170-E1173 HydrophobicContact CG-CG 4.47Å; K1170-E1173 PolarHBondContact O-N 3.19Å; P1171-E1173 VanDerWaalsContact C-N 3.26Å; P1171-E1173 PolarHBondContact O-N 3.49Å; E1173-V1175 VanDerWaalsContact C-N 3.27Å; E1173-V1175 PolarHBondContact O-N 3.28Å; E1173-L1176 CarbonylContact O-C 3.57Å; E1173-L1176 PolarHBondContact O-N 3.38Å; E1173-L1176 VanDerWaalsContact O-N 3.16Å; E1173-M1177 WeakPolarHBondContact O-CB 3.35Å; E1173-M1177 PolarHBondContact O-N 2.85Å |
| 1174 | A | 84.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1165 P1171 Y1178 V1190 | F1165-A1174 HydrophobicContact CB-CB 3.68Å; F1165-A1174 HydrophobicContact CD2-CB 4.01Å; F1165-A1174 HydrophobicContact CG-CB 4.17Å; P1171-A1174 WeakPolarHBondContact O-CB 3.42Å; P1171-A1174 PolarHBondContact O-N 3.25Å; P1171-A1174 VanDerWaalsContact O-N 3.16Å; A1174-Y1178 WeakPolarHBondContact O-CD2 3.41Å; A1174-Y1178 PolarHBondContact O-N 3.25Å; A1174-V1190 HydrophobicContact CB-CG1 3.92Å |
| 1175 | V | 84.6 | Confident | 84 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 173.4 | 175 | 0 | 0 | 0 | 0 | 110.5 | P1171 R1172 E1173 Y1178 V1179 A1187 V1190 A1191 V1202 | P1171-V1175 WeakPolarHBondContact O-CG2 3.49Å; P1171-V1175 PolarHBondContact O-N 2.93Å; R1172-V1175 PolarHBondContact O-N 3.46Å; E1173-V1175 VanDerWaalsContact C-N 3.27Å; E1173-V1175 PolarHBondContact O-N 3.28Å; V1175-Y1178 PolarHBondContact O-N 3.26Å; V1175-V1179 HydrophobicContact CG1-CG2 4.24Å; V1175-V1179 WeakPolarHBondContact O-CB 3.44Å; V1175-V1179 WeakPolarHBondContact O-CG2 3.39Å; V1175-V1179 PolarHBondContact O-N 2.82Å; V1175-A1187 HydrophobicContact CG1-CB 4.45Å; V1175-V1190 HydrophobicContact CG2-CB 4.06Å; V1175-V1190 HydrophobicContact CG2-CG1 3.86Å; V1175-A1191 HydrophobicContact CG1-CB 4.3Å; V1175-A1191 HydrophobicContact CG2-CB 3.8Å; V1175-V1202 HydrophobicContact CG1-CG2 3.12Å |
| 1176 | L | 84.1 | Confident | 83.7 | Confident | 67 Ų | 67 | 60.6 Ų | 60.6 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 178.1 | -77.8 | 166.9 | 0 | 0 | 0 | 112.9 | R1172 E1173 V1179 H1180 | R1172-L1176 HydrophobicContact CG-CD1 4.34Å; R1172-L1176 WeakPolarHBondContact O-CB 3.28Å; R1172-L1176 VanDerWaalsContact O-CG 3.3Å; R1172-L1176 WeakPolarHBondContact O-CG 3.16Å; R1172-L1176 PolarHBondContact O-N 2.91Å; E1173-L1176 CarbonylContact O-C 3.57Å; E1173-L1176 PolarHBondContact O-N 3.38Å; E1173-L1176 VanDerWaalsContact O-N 3.16Å; L1176-V1179 CarbonylContact O-C 3.52Å; L1176-V1179 PolarHBondContact O-N 2.86Å; L1176-H1180 WeakPolarHBondContact O-CB 3.43Å; L1176-H1180 PolarHBondContact O-N 2.91Å |
| 1177 | M | 85.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.4 | -53.2 | 172.7 | 169.2 | -164.5 | 77.2 | 0 | 0 | 109.9 | E1153 F1158 A1161 F1165 E1173 V1179 H1180 N1181 | E1153-M1177 HydrophobicContact CB-CG 4.49Å; E1153-M1177 HydrophobicContact CB-SD 4.23Å; E1153-M1177 HydrophobicContact CG-CG 3.79Å; E1153-M1177 HydrophobicContact CG-SD 4.16Å; E1153-M1177 WeakPolarHBondContact OE1-CB 3.46Å; E1153-M1177 WeakPolarHBondContact OE1-CG 3.4Å; F1158-M1177 HydrophobicContact CB-CE 3.92Å; F1158-M1177 HydrophobicContact CB-SD 4.16Å; F1158-M1177 HydrophobicContact CD1-CE 4.45Å; F1158-M1177 HydrophobicContact CD1-CG 4.07Å; F1158-M1177 HydrophobicContact CD1-SD 3.78Å; F1158-M1177 HydrophobicContact CG-SD 4.44Å; A1161-M1177 HydrophobicContact CB-SD 3.74Å; F1165-M1177 HydrophobicContact CD2-SD 4.38Å; F1165-M1177 HydrophobicContact CE2-CB 4.32Å; F1165-M1177 HydrophobicContact CE2-SD 4.02Å; E1173-M1177 WeakPolarHBondContact O-CB 3.35Å; E1173-M1177 PolarHBondContact O-N 2.85Å; M1177-V1179 PolarHBondContact O-N 2.89Å; M1177-H1180 PolarHBondContact O-N 3.49Å; M1177-N1181 PolarHBondContact O-N 3.48Å |
| 1178 | Y | 87.8 | Confident | 83.4 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 177.3 | -73.5 | -56.9 | 0 | 0 | 0 | 112.4 | F1158 E1162 A1174 V1175 N1181 Q1182 D1183 V1190 | F1158-Y1178 HydrophobicContact CB-CE1 3.88Å; E1162-Y1178 HydrophobicContact CB-CE2 4.2Å; E1162-Y1178 HydrophobicContact CG-CE2 4.32Å; E1162-Y1178 VanDerWaalsContact OE2-CE2 3.32Å; E1162-Y1178 WeakPolarHBondContact OE2-CE2 3.45Å; E1162-Y1178 PolarHBondContact OE2-OH 3.44Å; A1174-Y1178 WeakPolarHBondContact O-CD2 3.41Å; A1174-Y1178 PolarHBondContact O-N 3.25Å; V1175-Y1178 PolarHBondContact O-N 3.26Å; Y1178-N1181 CarbonylContact O-C 3.47Å; Y1178-N1181 PolarHBondContact O-N 2.94Å; Y1178-Q1182 PolarHBondContact O-N 2.86Å; Y1178-Q1182 VanDerWaalsContact O-N 3.09Å; Y1178-D1183 HydrophobicContact CD1-CB 4.08Å; Y1178-D1183 PolarHBondContact O-N 3.46Å; Y1178-V1190 HydrophobicContact CD2-CG2 3.95Å; Y1178-V1190 HydrophobicContact CE2-CG2 3.67Å |
| 1179 | V | 84 | Confident | 83.5 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 174.6 | 165.6 | 0 | 0 | 0 | 0 | 112.1 | V1175 L1176 M1177 Q1182 W1184 A1187 V1202 | V1175-V1179 HydrophobicContact CG1-CG2 4.24Å; V1175-V1179 WeakPolarHBondContact O-CB 3.44Å; V1175-V1179 WeakPolarHBondContact O-CG2 3.39Å; V1175-V1179 PolarHBondContact O-N 2.82Å; L1176-V1179 CarbonylContact O-C 3.52Å; L1176-V1179 PolarHBondContact O-N 2.86Å; M1177-V1179 PolarHBondContact O-N 2.89Å; V1179-Q1182 PolarHBondContact O-N 2.88Å; V1179-W1184 HydrophobicContact CB-CH2 4.44Å; V1179-W1184 HydrophobicContact CB-CZ3 4.2Å; V1179-W1184 HydrophobicContact CG1-CH2 3.74Å; V1179-W1184 HydrophobicContact CG1-CZ3 3.8Å; V1179-W1184 HydrophobicContact CG2-CE3 4.29Å; V1179-W1184 HydrophobicContact CG2-CZ3 3.84Å; V1179-A1187 HydrophobicContact CG2-CB 3.79Å; V1179-V1202 HydrophobicContact CG2-CG1 4.49Å; V1179-V1202 HydrophobicContact CG2-CG2 4.06Å |
| 1180 | H | 82.9 | Confident | 83.6 | Confident | 148 Ų | 148 | 56.9 Ų | 56.9 | 69% | 0.685 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67 | -39.7 | 176.7 | -91 | -156.8 | 0 | 0 | 0 | 111.5 | L1176 M1177 Q1182 | L1176-H1180 WeakPolarHBondContact O-CB 3.43Å; L1176-H1180 PolarHBondContact O-N 2.91Å; M1177-H1180 PolarHBondContact O-N 3.49Å; H1180-Q1182 PolarHBondContact O-N 2.93Å |
| 1181 | N | 80.8 | Confident | 83.7 | Confident | 82 Ų | 82 | 53 Ų | 53 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 3.1 | 172.8 | -86.9 | -10.8 | 0 | 0 | 0 | 114.4 | F1158 M1177 Y1178 D1183 | F1158-N1181 WeakPolarHBondContact CE1-ND2 3.22Å; F1158-N1181 WeakPolarHBondContact CZ-ND2 3.4Å; M1177-N1181 PolarHBondContact O-N 3.48Å; Y1178-N1181 CarbonylContact O-C 3.47Å; Y1178-N1181 PolarHBondContact O-N 2.94Å; N1181-D1183 PolarHBondContact O-N 3.43Å; N1181-D1183 VanDerWaalsContact O-N 3.12Å |
| 1182 | Q | 77.7 | Confident | 83.6 | Confident | 135 Ų | 135 | 55 Ų | 55 | 63% | 0.631 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 19.9 | -178.2 | -53 | 178.9 | 2.9 | 0 | 0 | 114 | Y1178 V1179 H1180 W1184 | Y1178-Q1182 PolarHBondContact O-N 2.86Å; Y1178-Q1182 VanDerWaalsContact O-N 3.09Å; V1179-Q1182 PolarHBondContact O-N 2.88Å; H1180-Q1182 PolarHBondContact O-N 2.93Å; Q1182-W1184 VanDerWaalsContact C-N 3.32Å; Q1182-W1184 PolarHBondContact O-N 3.44Å; Q1182-W1184 VanDerWaalsContact O-N 3.14Å; Q1182-W1184 PolarHBondContact O-NE1 3.14Å |
| 1183 | D | 83 | Confident | 83.6 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 32% | 0.316 | 28% | 0.277 | S | S | . | . | trans | -86.1 | 78.2 | 170.4 | -175.3 | -4.7 | 0 | 0 | 0 | 109 | Y1178 N1181 D1185 S1186 A1187 | Y1178-D1183 HydrophobicContact CD1-CB 4.08Å; Y1178-D1183 PolarHBondContact O-N 3.46Å; N1181-D1183 PolarHBondContact O-N 3.43Å; N1181-D1183 VanDerWaalsContact O-N 3.12Å; D1183-D1185 PolarHBondContact O-N 2.86Å; D1183-D1185 PolarHBondContact OD1-N 3.34Å; D1183-S1186 VanDerWaalsContact CG-CB 3.47Å; D1183-S1186 VanDerWaalsContact CG-OG 3.27Å; D1183-S1186 PolarHBondContact O-N 3.21Å; D1183-S1186 PolarHBondContact OD1-N 3.47Å; D1183-S1186 VanDerWaalsContact OD1-N 3.07Å; D1183-S1186 PolarHBondContact OD1-OG 2.83Å; D1183-S1186 WeakPolarHBondContact OD2-CB 3.45Å; D1183-S1186 PolarHBondContact OD2-OG 3.33Å; D1183-A1187 WeakPolarHBondContact O-CB 3.5Å; D1183-A1187 PolarHBondContact O-N 3.3Å | ||
| 1184 | W | 84.2 | Confident | 83.4 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -26.9 | -176.7 | -55.8 | 99.8 | 0 | 0 | 0 | 113.6 | V1179 Q1182 A1188 V1202 Q1206 L1209 | V1179-W1184 HydrophobicContact CB-CH2 4.44Å; V1179-W1184 HydrophobicContact CB-CZ3 4.2Å; V1179-W1184 HydrophobicContact CG1-CH2 3.74Å; V1179-W1184 HydrophobicContact CG1-CZ3 3.8Å; V1179-W1184 HydrophobicContact CG2-CE3 4.29Å; V1179-W1184 HydrophobicContact CG2-CZ3 3.84Å; Q1182-W1184 VanDerWaalsContact C-N 3.32Å; Q1182-W1184 PolarHBondContact O-N 3.44Å; Q1182-W1184 VanDerWaalsContact O-N 3.14Å; Q1182-W1184 PolarHBondContact O-NE1 3.14Å; W1184-A1188 WeakPolarHBondContact O-CB 3.39Å; W1184-A1188 PolarHBondContact O-N 2.94Å; W1184-V1202 HydrophobicContact CE3-CG1 4.1Å; W1184-Q1206 HydrophobicContact CB-CG 4Å; W1184-Q1206 HydrophobicContact CD2-CG 3.45Å; W1184-Q1206 VanDerWaalsContact CD2-CG 3.45Å; W1184-Q1206 HydrophobicContact CE3-CB 4.36Å; W1184-Q1206 HydrophobicContact CE3-CG 3.26Å; W1184-Q1206 HydrophobicContact CG-CG 3.75Å; W1184-Q1206 HydrophobicContact CZ3-CG 3.98Å; W1184-L1209 HydrophobicContact CH2-CD1 3.72Å; W1184-L1209 HydrophobicContact CZ2-CD1 3.01Å; W1184-L1209 HydrophobicContact CZ2-CG 4.45Å |
| 1185 | D | 83.2 | Confident | 83 | Confident | 133 Ų | 133 | 54.9 Ų | 54.9 | 71% | 0.711 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -71.8 | -44.3 | -179.1 | -69.2 | -35.1 | 0 | 0 | 0 | 110.4 | D1183 A1188 R1189 | D1183-D1185 PolarHBondContact O-N 2.86Å; D1183-D1185 PolarHBondContact OD1-N 3.34Å; D1185-A1188 PolarHBondContact O-N 3.16Å; D1185-R1189 WeakPolarHBondContact O-CB 3.48Å; D1185-R1189 PolarHBondContact O-N 2.85Å |
| 1186 | S | 83.8 | Confident | 82.7 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.9 | -40 | 172.8 | -62.8 | 0 | 0 | 0 | 0 | 112 | D1183 A1188 R1189 V1190 | D1183-S1186 VanDerWaalsContact CG-CB 3.47Å; D1183-S1186 VanDerWaalsContact CG-OG 3.27Å; D1183-S1186 PolarHBondContact O-N 3.21Å; D1183-S1186 PolarHBondContact OD1-N 3.47Å; D1183-S1186 VanDerWaalsContact OD1-N 3.07Å; D1183-S1186 PolarHBondContact OD1-OG 2.83Å; D1183-S1186 WeakPolarHBondContact OD2-CB 3.45Å; D1183-S1186 PolarHBondContact OD2-OG 3.33Å; S1186-A1188 VanDerWaalsContact C-N 3.33Å; S1186-A1188 PolarHBondContact O-N 3.15Å; S1186-R1189 WeakPolarHBondContact O-CB 3.24Å; S1186-R1189 PolarHBondContact O-N 3.46Å; S1186-V1190 WeakPolarHBondContact O-CG2 3.02Å; S1186-V1190 PolarHBondContact O-N 3.46Å |
| 1187 | A | 83.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1175 V1179 D1183 A1191 V1202 | V1175-A1187 HydrophobicContact CG1-CB 4.45Å; V1179-A1187 HydrophobicContact CG2-CB 3.79Å; D1183-A1187 WeakPolarHBondContact O-CB 3.5Å; D1183-A1187 PolarHBondContact O-N 3.3Å; A1187-A1191 WeakPolarHBondContact O-CB 3.49Å; A1187-A1191 PolarHBondContact O-N 3.15Å; A1187-V1202 HydrophobicContact CB-CG1 3.88Å; A1187-V1202 HydrophobicContact CB-CG2 4.11Å |
| 1188 | A | 82.6 | Confident | 82.1 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 30% | 0.298 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1184 D1185 S1186 S1192 | W1184-A1188 WeakPolarHBondContact O-CB 3.39Å; W1184-A1188 PolarHBondContact O-N 2.94Å; D1185-A1188 PolarHBondContact O-N 3.16Å; S1186-A1188 VanDerWaalsContact C-N 3.33Å; S1186-A1188 PolarHBondContact O-N 3.15Å; A1188-S1192 VanDerWaalsContact O-CB 3.25Å; A1188-S1192 WeakPolarHBondContact O-CB 3.44Å; A1188-S1192 PolarHBondContact O-N 3.28Å; A1188-S1192 PolarHBondContact O-OG 3.45Å |
| 1189 | R | 87.1 | Confident | 81.9 | Confident | 112 Ų | 112 | 63.9 Ų | 63.9 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -53.4 | 175.9 | -179.2 | 178.4 | 58.4 | 84.2 | 4.5 | 111.2 | E1162 D1185 S1186 A1191 S1192 V1193 | E1162-R1189 IonicContact OE1-CZ 2.81Å; E1162-R1189 IonicContact OE1-NH1 2.71Å; E1162-R1189 PolarHBondContact OE1-NH1 3.19Å; E1162-R1189 IonicContact OE1-NH2 3.74Å; E1162-R1189 PolarHBondContact OE1-NH2 3.07Å; E1162-R1189 IonicContact OE2-CZ 3.86Å; E1162-R1189 IonicContact OE2-NH1 3.96Å; E1162-R1189 IonicContact OE2-NH2 3.3Å; E1162-R1189 PolarHBondContact OE2-NH2 3.36Å; D1185-R1189 WeakPolarHBondContact O-CB 3.48Å; D1185-R1189 PolarHBondContact O-N 2.85Å; S1186-R1189 WeakPolarHBondContact O-CB 3.24Å; S1186-R1189 PolarHBondContact O-N 3.46Å; R1189-A1191 PolarHBondContact O-N 3.23Å; R1189-S1192 PolarHBondContact O-N 3.17Å; R1189-S1192 PolarHBondContact O-OG 3.23Å; R1189-V1193 WeakPolarHBondContact O-CG2 3.12Å; R1189-V1193 PolarHBondContact O-N 2.92Å; R1189-V1193 VanDerWaalsContact O-N 3.13Å |
| 1190 | V | 83.7 | Confident | 81.7 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.3 | -42.4 | -178.8 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | E1162 A1174 V1175 Y1178 S1186 S1192 V1193 H1194 | E1162-V1190 HydrophobicContact CG-CG2 3.8Å; E1162-V1190 WeakPolarHBondContact OE1-CG2 3.48Å; A1174-V1190 HydrophobicContact CB-CG1 3.92Å; V1175-V1190 HydrophobicContact CG2-CB 4.06Å; V1175-V1190 HydrophobicContact CG2-CG1 3.86Å; Y1178-V1190 HydrophobicContact CD2-CG2 3.95Å; Y1178-V1190 HydrophobicContact CE2-CG2 3.67Å; S1186-V1190 WeakPolarHBondContact O-CG2 3.02Å; S1186-V1190 PolarHBondContact O-N 3.46Å; V1190-S1192 VanDerWaalsContact C-N 3.32Å; V1190-S1192 PolarHBondContact O-N 3.38Å; V1190-V1193 PolarHBondContact O-N 3.16Å; V1190-H1194 PolarHBondContact O-N 3.11Å |
| 1191 | A | 83.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1175 A1187 R1189 V1193 D1195 P1196 I1199 V1202 | V1175-A1191 HydrophobicContact CG1-CB 4.3Å; V1175-A1191 HydrophobicContact CG2-CB 3.8Å; A1187-A1191 WeakPolarHBondContact O-CB 3.49Å; A1187-A1191 PolarHBondContact O-N 3.15Å; R1189-A1191 PolarHBondContact O-N 3.23Å; A1191-V1193 VanDerWaalsContact C-N 3.32Å; A1191-V1193 PolarHBondContact O-N 3.21Å; A1191-D1195 CarbonylContact C-O 3.4Å; A1191-D1195 CarbonylContact O-C 3.33Å; A1191-D1195 PolarHBondContact O-N 3.45Å; A1191-P1196 WeakPolarHBondContact O-CA 3.24Å; A1191-I1199 HydrophobicContact CB-CB 4.11Å; A1191-I1199 HydrophobicContact CB-CG1 3.82Å; A1191-V1202 HydrophobicContact CB-CG2 4.1Å |
| 1192 | S | 82.4 | Confident | 81.5 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 46% | 0.462 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.4 | -31.7 | 178 | 75.4 | 0 | 0 | 0 | 0 | 114.4 | A1188 R1189 V1190 | A1188-S1192 VanDerWaalsContact O-CB 3.25Å; A1188-S1192 WeakPolarHBondContact O-CB 3.44Å; A1188-S1192 PolarHBondContact O-N 3.28Å; A1188-S1192 PolarHBondContact O-OG 3.45Å; R1189-S1192 PolarHBondContact O-N 3.17Å; R1189-S1192 PolarHBondContact O-OG 3.23Å; V1190-S1192 VanDerWaalsContact C-N 3.32Å; V1190-S1192 PolarHBondContact O-N 3.38Å |
| 1193 | V | 82.8 | Confident | 81.7 | Confident | 94 Ų | 94 | 51.8 Ų | 51.8 | 57% | 0.57 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -95 | -40.4 | -173.9 | -179 | 0 | 0 | 0 | 0 | 112.2 | R1189 V1190 A1191 | R1189-V1193 WeakPolarHBondContact O-CG2 3.12Å; R1189-V1193 PolarHBondContact O-N 2.92Å; R1189-V1193 VanDerWaalsContact O-N 3.13Å; V1190-V1193 PolarHBondContact O-N 3.16Å; A1191-V1193 VanDerWaalsContact C-N 3.32Å; A1191-V1193 PolarHBondContact O-N 3.21Å |
| 1194 | H | 79.7 | Confident | 81.6 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -117 | -25.3 | -168.1 | -61.7 | -67.2 | 0 | 0 | 0 | 114.9 | I1166 P1171 V1190 | I1166-H1194 WeakPolarHBondContact CD1-CD2 3.39Å; I1166-H1194 WeakPolarHBondContact CD1-NE2 3.47Å; P1171-H1194 HydrophobicContact CB-CB 3.66Å; P1171-H1194 HydrophobicContact CG-CB 4.44Å; V1190-H1194 PolarHBondContact O-N 3.11Å |
| 1195 | D | 76.9 | Confident | 81.3 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | trans | -143.3 | 79 | 179.2 | -169.8 | 1.8 | 0 | 0 | 0 | 111.9 | P1171 A1191 D1197 S1198 I1199 | P1171-D1195 HydrophobicContact CB-CB 4.01Å; P1171-D1195 HydrophobicContact CG-CB 3.81Å; A1191-D1195 CarbonylContact C-O 3.4Å; A1191-D1195 CarbonylContact O-C 3.33Å; A1191-D1195 PolarHBondContact O-N 3.45Å; D1195-D1197 PolarHBondContact O-N 3.1Å; D1195-D1197 VanDerWaalsContact O-N 3.09Å; D1195-D1197 PolarHBondContact OD1-N 3.33Å; D1195-S1198 VanDerWaalsContact CG-OG 3.24Å; D1195-S1198 WeakPolarHBondContact O-CB 3.38Å; D1195-S1198 PolarHBondContact O-N 3.14Å; D1195-S1198 PolarHBondContact OD1-N 3.09Å; D1195-S1198 VanDerWaalsContact OD2-CB 3.28Å; D1195-S1198 WeakPolarHBondContact OD2-CB 3.3Å; D1195-S1198 PolarHBondContact OD2-OG 3.49Å; D1195-I1199 PolarHBondContact O-N 2.81Å | ||
| 1196 | P | 78.8 | Confident | 81.2 | Confident | 83 Ų | 83 | 44.2 Ų | 44.2 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.4 | -177.4 | -22.1 | 32.6 | 0 | 0 | 0 | 113 | A1191 I1199 | A1191-P1196 WeakPolarHBondContact O-CA 3.24Å; P1196-I1199 VanDerWaalsContact O-CB 3.32Å; P1196-I1199 WeakPolarHBondContact O-CB 3.11Å; P1196-I1199 VanDerWaalsContact O-CG2 3.29Å; P1196-I1199 WeakPolarHBondContact O-CG2 3.44Å; P1196-I1199 PolarHBondContact O-N 3.3Å |
| 1197 | D | 78.6 | Confident | 81 | Confident | 132 Ų | 132 | 43.1 Ų | 43.1 | 71% | 0.706 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -37.2 | 178.7 | -68.5 | -25 | 0 | 0 | 0 | 111.3 | D1195 I1199 N1200 | D1195-D1197 PolarHBondContact O-N 3.1Å; D1195-D1197 VanDerWaalsContact O-N 3.09Å; D1195-D1197 PolarHBondContact OD1-N 3.33Å; D1197-I1199 PolarHBondContact O-N 2.96Å; D1197-N1200 PolarHBondContact O-N 3.19Å |
| 1198 | S | 78.7 | Confident | 80.8 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.1 | -16.5 | 174.1 | -74.8 | 0 | 0 | 0 | 0 | 113.3 | R1172 D1195 N1200 D1201 V1202 | R1172-S1198 WeakPolarHBondContact CG-OG 3.5Å; D1195-S1198 VanDerWaalsContact CG-OG 3.24Å; D1195-S1198 WeakPolarHBondContact O-CB 3.38Å; D1195-S1198 PolarHBondContact O-N 3.14Å; D1195-S1198 PolarHBondContact OD1-N 3.09Å; D1195-S1198 VanDerWaalsContact OD2-CB 3.28Å; D1195-S1198 WeakPolarHBondContact OD2-CB 3.3Å; D1195-S1198 PolarHBondContact OD2-OG 3.49Å; S1198-N1200 PolarHBondContact O-N 2.88Å; S1198-D1201 WeakPolarHBondContact O-CA 3.47Å; S1198-D1201 WeakPolarHBondContact O-CB 3.14Å; S1198-D1201 PolarHBondContact O-N 2.99Å; S1198-V1202 WeakPolarHBondContact O-CG2 3.32Å; S1198-V1202 PolarHBondContact O-N 2.98Å |
| 1199 | I | 81.7 | Confident | 80.6 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 26% | 0.256 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.6 | -37.5 | 176.7 | -130.7 | 167.2 | 0 | 0 | 0 | 110.8 | A1191 D1195 P1196 D1197 D1201 V1202 L1203 | A1191-I1199 HydrophobicContact CB-CB 4.11Å; A1191-I1199 HydrophobicContact CB-CG1 3.82Å; D1195-I1199 PolarHBondContact O-N 2.81Å; P1196-I1199 VanDerWaalsContact O-CB 3.32Å; P1196-I1199 WeakPolarHBondContact O-CB 3.11Å; P1196-I1199 VanDerWaalsContact O-CG2 3.29Å; P1196-I1199 WeakPolarHBondContact O-CG2 3.44Å; P1196-I1199 PolarHBondContact O-N 3.3Å; D1197-I1199 PolarHBondContact O-N 2.96Å; I1199-D1201 VanDerWaalsContact C-N 3.33Å; I1199-D1201 PolarHBondContact O-N 3.49Å; I1199-V1202 PolarHBondContact O-N 3.11Å; I1199-L1203 HydrophobicContact CG2-CD1 4.3Å; I1199-L1203 WeakPolarHBondContact O-CB 3.35Å; I1199-L1203 WeakPolarHBondContact O-CD1 3.33Å; I1199-L1203 WeakPolarHBondContact O-CG 3.45Å; I1199-L1203 PolarHBondContact O-N 2.95Å |
| 1200 | N | 80.3 | Confident | 80.3 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.9 | -35 | 176.4 | -70 | -28 | 0 | 0 | 0 | 111.1 | D1197 S1198 L1204 A1226 | D1197-N1200 PolarHBondContact O-N 3.19Å; S1198-N1200 PolarHBondContact O-N 2.88Å; N1200-L1204 WeakPolarHBondContact O-CB 3.32Å; N1200-L1204 VanDerWaalsContact O-CD1 3.28Å; N1200-L1204 WeakPolarHBondContact O-CD1 3.38Å; N1200-L1204 WeakPolarHBondContact O-CG 3.36Å; N1200-L1204 PolarHBondContact O-N 3.47Å; N1200-A1226 HydrophobicContact CB-CB 4.19Å; N1200-A1226 VanDerWaalsContact CG-O 3.25Å; N1200-A1226 VanDerWaalsContact OD1-C 3.25Å; N1200-A1226 WeakPolarHBondContact OD1-CA 3.46Å; N1200-A1226 PolarHBondContact OD1-O 2.99Å |
| 1201 | D | 77.5 | Confident | 80 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 175.9 | -75.6 | -16.9 | 0 | 0 | 0 | 112.1 | R1172 S1198 I1199 L1204 G1205 | R1172-D1201 IonicContact CZ-OD2 4Å; R1172-D1201 IonicContact NE-OD2 3.82Å; R1172-D1201 IonicContact NH2-OD2 3.18Å; R1172-D1201 PolarHBondContact NH2-OD2 3.43Å; S1198-D1201 WeakPolarHBondContact O-CA 3.47Å; S1198-D1201 WeakPolarHBondContact O-CB 3.14Å; S1198-D1201 PolarHBondContact O-N 2.99Å; I1199-D1201 VanDerWaalsContact C-N 3.33Å; I1199-D1201 PolarHBondContact O-N 3.49Å; D1201-L1204 CarbonylContact O-C 3.33Å; D1201-L1204 PolarHBondContact O-N 3Å; D1201-G1205 PolarHBondContact O-N 3.31Å |
| 1202 | V | 81.7 | Confident | 79.5 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 172.8 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | V1175 V1179 W1184 A1187 A1191 S1198 I1199 L1204 G1205 Q1206 | V1175-V1202 HydrophobicContact CG1-CG2 3.12Å; V1179-V1202 HydrophobicContact CG2-CG1 4.49Å; V1179-V1202 HydrophobicContact CG2-CG2 4.06Å; W1184-V1202 HydrophobicContact CE3-CG1 4.1Å; A1187-V1202 HydrophobicContact CB-CG1 3.88Å; A1187-V1202 HydrophobicContact CB-CG2 4.11Å; A1191-V1202 HydrophobicContact CB-CG2 4.1Å; S1198-V1202 WeakPolarHBondContact O-CG2 3.32Å; S1198-V1202 PolarHBondContact O-N 2.98Å; I1199-V1202 PolarHBondContact O-N 3.11Å; V1202-L1204 VanDerWaalsContact C-N 3.33Å; V1202-L1204 PolarHBondContact O-N 3.37Å; V1202-G1205 PolarHBondContact O-N 2.88Å; V1202-G1205 VanDerWaalsContact O-N 3.15Å; V1202-Q1206 PolarHBondContact O-N 2.92Å |
| 1203 | L | 82.3 | Confident | 79.3 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 12% | 0.12 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 176.2 | -70.2 | 166.5 | 0 | 0 | 0 | 111.6 | I1199 G1205 A1207 L1222 R1225 A1226 | I1199-L1203 HydrophobicContact CG2-CD1 4.3Å; I1199-L1203 WeakPolarHBondContact O-CB 3.35Å; I1199-L1203 WeakPolarHBondContact O-CD1 3.33Å; I1199-L1203 WeakPolarHBondContact O-CG 3.45Å; I1199-L1203 PolarHBondContact O-N 2.95Å; L1203-G1205 VanDerWaalsContact C-N 3.35Å; L1203-A1207 WeakPolarHBondContact O-CB 3.4Å; L1203-A1207 PolarHBondContact O-N 2.86Å; L1203-L1222 HydrophobicContact CD2-CD2 3.72Å; L1203-R1225 HydrophobicContact CD1-CB 3.76Å; L1203-R1225 HydrophobicContact CD2-CB 4.09Å; L1203-A1226 HydrophobicContact CB-CB 3.81Å; L1203-A1226 HydrophobicContact CD1-CB 4.33Å |
| 1204 | L | 81.1 | Confident | 78.9 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -35.5 | 172.6 | -78.4 | 161.4 | 0 | 0 | 0 | 111.7 | N1200 D1201 V1202 A1207 R1208 L1223 A1226 R1228 M1231 | N1200-L1204 WeakPolarHBondContact O-CB 3.32Å; N1200-L1204 VanDerWaalsContact O-CD1 3.28Å; N1200-L1204 WeakPolarHBondContact O-CD1 3.38Å; N1200-L1204 WeakPolarHBondContact O-CG 3.36Å; N1200-L1204 PolarHBondContact O-N 3.47Å; D1201-L1204 CarbonylContact O-C 3.33Å; D1201-L1204 PolarHBondContact O-N 3Å; V1202-L1204 VanDerWaalsContact C-N 3.33Å; V1202-L1204 PolarHBondContact O-N 3.37Å; L1204-A1207 PolarHBondContact O-N 3.18Å; L1204-R1208 WeakPolarHBondContact O-CB 3.32Å; L1204-R1208 VanDerWaalsContact O-CG 3.31Å; L1204-R1208 WeakPolarHBondContact O-CG 3.28Å; L1204-R1208 PolarHBondContact O-N 3.38Å; L1204-L1223 HydrophobicContact CD2-CD2 3.17Å; L1204-L1223 HydrophobicContact CG-CD2 4.25Å; L1204-A1226 HydrophobicContact CG-CB 4.17Å; L1204-R1228 HydrophobicContact CD1-CG 4.46Å; L1204-R1228 HydrophobicContact CD2-CB 4.41Å; L1204-M1231 HydrophobicContact CD2-CB 4.47Å; L1204-M1231 HydrophobicContact CD2-CE 3.63Å; L1204-M1231 HydrophobicContact CD2-CG 4.33Å |
| 1205 | G | 77.1 | Confident | 78.8 | Confident | 17 Ų | 17 | 58 Ų | 58 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.2 | -50.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1201 V1202 L1203 A1207 R1208 L1209 | D1201-G1205 PolarHBondContact O-N 3.31Å; V1202-G1205 PolarHBondContact O-N 2.88Å; V1202-G1205 VanDerWaalsContact O-N 3.15Å; L1203-G1205 VanDerWaalsContact C-N 3.35Å; G1205-A1207 VanDerWaalsContact C-N 3.25Å; G1205-A1207 PolarHBondContact O-N 2.69Å; G1205-R1208 PolarHBondContact O-N 2.92Å; G1205-R1208 VanDerWaalsContact O-N 3.17Å; G1205-L1209 PolarHBondContact O-N 2.87Å |
| 1206 | Q | 81.3 | Confident | 79 | Confident | 46 Ų | 46 | 60 Ų | 60 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.7 | -40.8 | 169.9 | -70.9 | -173.5 | -49.2 | 0 | 0 | 110.7 | W1184 V1202 R1208 L1209 A1210 L1222 | W1184-Q1206 HydrophobicContact CB-CG 4Å; W1184-Q1206 HydrophobicContact CD2-CG 3.45Å; W1184-Q1206 VanDerWaalsContact CD2-CG 3.45Å; W1184-Q1206 HydrophobicContact CE3-CB 4.36Å; W1184-Q1206 HydrophobicContact CE3-CG 3.26Å; W1184-Q1206 HydrophobicContact CG-CG 3.75Å; W1184-Q1206 HydrophobicContact CZ3-CG 3.98Å; V1202-Q1206 PolarHBondContact O-N 2.92Å; Q1206-R1208 PolarHBondContact O-N 3.5Å; Q1206-L1209 PolarHBondContact O-N 3.41Å; Q1206-A1210 WeakPolarHBondContact O-CB 3.27Å; Q1206-A1210 PolarHBondContact O-N 2.76Å; Q1206-L1222 HydrophobicContact CB-CD1 3.58Å; Q1206-L1222 HydrophobicContact CB-CD2 4.04Å; Q1206-L1222 HydrophobicContact CB-CG 4.36Å; Q1206-L1222 VanDerWaalsContact OE1-CD2 3.32Å |
| 1207 | A | 80.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1203 L1204 G1205 A1210 F1211 A1219 L1222 L1223 | L1203-A1207 WeakPolarHBondContact O-CB 3.4Å; L1203-A1207 PolarHBondContact O-N 2.86Å; L1204-A1207 PolarHBondContact O-N 3.18Å; G1205-A1207 VanDerWaalsContact C-N 3.25Å; G1205-A1207 PolarHBondContact O-N 2.69Å; A1207-A1210 CarbonylContact O-C 3.57Å; A1207-A1210 PolarHBondContact O-N 3.26Å; A1207-F1211 HydrophobicContact CB-CD2 4.48Å; A1207-F1211 HydrophobicContact CB-CE2 4.38Å; A1207-F1211 WeakPolarHBondContact O-CB 3.45Å; A1207-F1211 WeakPolarHBondContact O-CD2 3.46Å; A1207-F1211 WeakPolarHBondContact O-CG 3.26Å; A1207-F1211 PolarHBondContact O-N 3.49Å; A1207-A1219 HydrophobicContact CB-CB 4.49Å; A1207-A1219 WeakPolarHBondContact O-CB 3.3Å; A1207-L1222 HydrophobicContact CB-CB 3.75Å; A1207-L1223 HydrophobicContact CB-CD2 3.9Å; A1207-L1223 HydrophobicContact CB-CG 3.81Å |
| 1208 | R | 78 | Confident | 79.1 | Confident | 170 Ų | 170 | 58.9 Ų | 58.9 | 64% | 0.642 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.5 | -38.7 | 175.3 | -80.5 | 179.5 | -171.1 | -177.2 | 6.1 | 112.1 | L1204 G1205 Q1206 F1211 G1212 | L1204-R1208 WeakPolarHBondContact O-CB 3.32Å; L1204-R1208 VanDerWaalsContact O-CG 3.31Å; L1204-R1208 WeakPolarHBondContact O-CG 3.28Å; L1204-R1208 PolarHBondContact O-N 3.38Å; G1205-R1208 PolarHBondContact O-N 2.92Å; G1205-R1208 VanDerWaalsContact O-N 3.17Å; Q1206-R1208 PolarHBondContact O-N 3.5Å; R1208-F1211 PolarHBondContact O-N 3.24Å; R1208-G1212 PolarHBondContact O-N 2.99Å |
| 1209 | L | 79.8 | Confident | 79.2 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 171.8 | -97.5 | 156.9 | 0 | 0 | 0 | 110.9 | W1184 G1205 Q1206 F1211 G1212 E1213 | W1184-L1209 HydrophobicContact CH2-CD1 3.72Å; W1184-L1209 HydrophobicContact CZ2-CD1 3.01Å; W1184-L1209 HydrophobicContact CZ2-CG 4.45Å; G1205-L1209 PolarHBondContact O-N 2.87Å; Q1206-L1209 PolarHBondContact O-N 3.41Å; L1209-F1211 VanDerWaalsContact C-N 3.28Å; L1209-F1211 PolarHBondContact O-N 3.37Å; L1209-G1212 CarbonylContact O-C 3.58Å; L1209-G1212 WeakPolarHBondContact O-CA 3.14Å; L1209-G1212 PolarHBondContact O-N 2.87Å; L1209-E1213 WeakPolarHBondContact O-CB 3.4Å; L1209-E1213 WeakPolarHBondContact O-CG 3.43Å; L1209-E1213 PolarHBondContact O-N 3.45Å |
| 1210 | A | 79.4 | Confident | 79.2 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -37.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | Q1206 A1207 E1213 K1214 E1215 Q1218 A1219 L1222 | Q1206-A1210 WeakPolarHBondContact O-CB 3.27Å; Q1206-A1210 PolarHBondContact O-N 2.76Å; A1207-A1210 CarbonylContact O-C 3.57Å; A1207-A1210 PolarHBondContact O-N 3.26Å; A1210-E1213 CarbonylContact O-C 3.48Å; A1210-K1214 CarbonylContact O-C 3.52Å; A1210-K1214 PolarHBondContact O-N 2.88Å; A1210-K1214 VanDerWaalsContact O-N 3.11Å; A1210-E1215 HydrophobicContact CB-CB 4.18Å; A1210-E1215 CarbonylContact O-C 3.58Å; A1210-E1215 WeakPolarHBondContact O-CA 3.42Å; A1210-E1215 PolarHBondContact O-N 2.84Å; A1210-Q1218 HydrophobicContact CB-CB 4.19Å; A1210-A1219 HydrophobicContact CB-CB 3.63Å; A1210-L1222 HydrophobicContact CB-CD1 4.32Å |
| 1211 | F | 78.1 | Confident | 79.3 | Confident | 27 Ų | 27 | 57.7 Ų | 57.7 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 172.9 | -81.1 | -61.1 | 0 | 0 | 0 | 112.7 | A1207 R1208 L1209 E1213 K1214 F1216 A1219 L1223 V1235 | A1207-F1211 HydrophobicContact CB-CD2 4.48Å; A1207-F1211 HydrophobicContact CB-CE2 4.38Å; A1207-F1211 WeakPolarHBondContact O-CB 3.45Å; A1207-F1211 WeakPolarHBondContact O-CD2 3.46Å; A1207-F1211 WeakPolarHBondContact O-CG 3.26Å; A1207-F1211 PolarHBondContact O-N 3.49Å; R1208-F1211 PolarHBondContact O-N 3.24Å; L1209-F1211 VanDerWaalsContact C-N 3.28Å; L1209-F1211 PolarHBondContact O-N 3.37Å; F1211-E1213 VanDerWaalsContact C-N 3.34Å; F1211-K1214 PolarHBondContact O-N 3.04Å; F1211-K1214 VanDerWaalsContact O-N 3.11Å; F1211-F1216 AromaticContact CD1-CD1 3.59Å; F1211-F1216 HydrophobicContact CD1-CD1 3.59Å; F1211-F1216 AromaticContact CD1-CE1 3.96Å; F1211-F1216 HydrophobicContact CD1-CE1 3.96Å; F1211-F1216 AromaticContact CE1-CD1 3.79Å; F1211-F1216 HydrophobicContact CE1-CD1 3.79Å; F1211-F1216 HydrophobicContact CE1-CE1 4.47Å; F1211-A1219 HydrophobicContact CB-CB 4.45Å; F1211-A1219 HydrophobicContact CD1-CB 3.75Å; F1211-A1219 HydrophobicContact CD2-CB 3.57Å; F1211-A1219 HydrophobicContact CE1-CB 3.73Å; F1211-A1219 HydrophobicContact CE2-CB 3.49Å; F1211-A1219 VanDerWaalsContact CE2-CB 3.49Å; F1211-A1219 HydrophobicContact CG-CB 3.65Å; F1211-A1219 HydrophobicContact CZ-CB 3.58Å; F1211-L1223 HydrophobicContact CE2-CD1 3.36Å; F1211-L1223 HydrophobicContact CE2-CG 3.94Å; F1211-L1223 HydrophobicContact CZ-CD1 3.6Å; F1211-L1223 HydrophobicContact CZ-CG 4.48Å; F1211-V1235 HydrophobicContact CD1-CG1 3.72Å; F1211-V1235 HydrophobicContact CD2-CG1 4.19Å; F1211-V1235 HydrophobicContact CE1-CB 4.44Å; F1211-V1235 HydrophobicContact CE1-CG1 3.7Å; F1211-V1235 HydrophobicContact CE2-CG1 4.22Å; F1211-V1235 HydrophobicContact CG-CG1 4Å; F1211-V1235 HydrophobicContact CZ-CB 4.3Å; F1211-V1235 HydrophobicContact CZ-CG1 3.98Å |
| 1212 | G | 73.1 | Confident | 79.4 | Confident | 65 Ų | 65 | 55.4 Ų | 55.4 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.5 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | R1208 L1209 K1214 | R1208-G1212 PolarHBondContact O-N 2.99Å; L1209-G1212 CarbonylContact O-C 3.58Å; L1209-G1212 WeakPolarHBondContact O-CA 3.14Å; L1209-G1212 PolarHBondContact O-N 2.87Å; G1212-K1214 PolarHBondContact O-N 2.86Å |
| 1213 | E | 78.2 | Confident | 79.4 | Confident | 129 Ų | 129 | 55.4 Ų | 55.4 | 60% | 0.603 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 1.4 | 173.2 | -65.9 | -173.1 | 165.6 | 0 | 0 | 112.7 | L1209 A1210 F1211 E1215 | L1209-E1213 WeakPolarHBondContact O-CB 3.4Å; L1209-E1213 WeakPolarHBondContact O-CG 3.43Å; L1209-E1213 PolarHBondContact O-N 3.45Å; A1210-E1213 CarbonylContact O-C 3.48Å; F1211-E1213 VanDerWaalsContact C-N 3.34Å; E1213-E1215 HydrophobicContact CB-CG 4.26Å; E1213-E1215 PolarHBondContact O-N 3.3Å |
| 1214 | K | 73 | Confident | 79.4 | Confident | 160 Ų | 160 | 56.5 Ų | 56.5 | 70% | 0.696 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 19 | -176.4 | -58.6 | 179.5 | 177.2 | 177.9 | 0 | 114.2 | A1210 F1211 G1212 F1216 | A1210-K1214 CarbonylContact O-C 3.52Å; A1210-K1214 PolarHBondContact O-N 2.88Å; A1210-K1214 VanDerWaalsContact O-N 3.11Å; F1211-K1214 PolarHBondContact O-N 3.04Å; F1211-K1214 VanDerWaalsContact O-N 3.11Å; G1212-K1214 PolarHBondContact O-N 2.86Å; K1214-F1216 HydrophobicContact CB-CE2 4.05Å; K1214-F1216 HydrophobicContact CB-CZ 4.32Å; K1214-F1216 HydrophobicContact CG-CZ 4.44Å; K1214-F1216 VanDerWaalsContact O-CD2 3.27Å; K1214-F1216 WeakPolarHBondContact O-CD2 3.41Å; K1214-F1216 PolarHBondContact O-N 3.45Å |
| 1215 | E | 79.1 | Confident | 79.3 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | trans | -77.8 | 64.1 | 168.2 | -61.6 | -168.2 | 154.3 | 0 | 0 | 110.5 | A1210 E1213 A1217 Q1218 A1219 | A1210-E1215 HydrophobicContact CB-CB 4.18Å; A1210-E1215 CarbonylContact O-C 3.58Å; A1210-E1215 WeakPolarHBondContact O-CA 3.42Å; A1210-E1215 PolarHBondContact O-N 2.84Å; E1213-E1215 HydrophobicContact CB-CG 4.26Å; E1213-E1215 PolarHBondContact O-N 3.3Å; E1215-A1217 PolarHBondContact O-N 2.99Å; E1215-A1217 VanDerWaalsContact O-N 3.14Å; E1215-Q1218 HydrophobicContact CB-CB 4Å; E1215-Q1218 PolarHBondContact O-N 2.82Å; E1215-Q1218 VanDerWaalsContact O-N 3.1Å; E1215-Q1218 VanDerWaalsContact OE2-CD 3.29Å; E1215-Q1218 PolarHBondContact OE2-OE1 2.6Å; E1215-A1219 WeakPolarHBondContact O-CB 3.48Å; E1215-A1219 PolarHBondContact O-N 3.29Å | ||
| 1216 | F | 80.6 | Confident | 79.1 | Confident | 69 Ų | 69 | 64.1 Ų | 64.1 | 30% | 0.303 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55 | -35.1 | -176 | -62.9 | -68.3 | 0 | 0 | 0 | 113.4 | F1211 K1214 E1220 Y1236 M1241 | F1211-F1216 AromaticContact CD1-CD1 3.59Å; F1211-F1216 HydrophobicContact CD1-CD1 3.59Å; F1211-F1216 AromaticContact CD1-CE1 3.96Å; F1211-F1216 HydrophobicContact CD1-CE1 3.96Å; F1211-F1216 AromaticContact CE1-CD1 3.79Å; F1211-F1216 HydrophobicContact CE1-CD1 3.79Å; F1211-F1216 HydrophobicContact CE1-CE1 4.47Å; K1214-F1216 HydrophobicContact CB-CE2 4.05Å; K1214-F1216 HydrophobicContact CB-CZ 4.32Å; K1214-F1216 HydrophobicContact CG-CZ 4.44Å; K1214-F1216 VanDerWaalsContact O-CD2 3.27Å; K1214-F1216 WeakPolarHBondContact O-CD2 3.41Å; K1214-F1216 PolarHBondContact O-N 3.45Å; F1216-E1220 VanDerWaalsContact O-CB 3.26Å; F1216-E1220 WeakPolarHBondContact O-CB 3.45Å; F1216-E1220 PolarHBondContact O-N 2.9Å; F1216-Y1236 HydrophobicContact CB-CE1 4.35Å; F1216-Y1236 HydrophobicContact CD1-CE1 4.25Å; F1216-Y1236 HydrophobicContact CG-CE1 4.49Å; F1216-M1241 HydrophobicContact CD1-CE 3.76Å; F1216-M1241 HydrophobicContact CE1-CE 3.32Å; F1216-M1241 HydrophobicContact CE2-CE 4.18Å; F1216-M1241 HydrophobicContact CG-CE 4.38Å; F1216-M1241 HydrophobicContact CZ-CE 3.55Å; F1216-M1241 HydrophobicContact CZ-SD 4.45Å |
| 1217 | A | 80 | Confident | 78.9 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 65% | 0.653 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -70.2 | -40.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1215 E1220 A1221 | E1215-A1217 PolarHBondContact O-N 2.99Å; E1215-A1217 VanDerWaalsContact O-N 3.14Å; A1217-E1220 PolarHBondContact O-N 3.41Å; A1217-A1221 WeakPolarHBondContact O-CB 3.44Å; A1217-A1221 PolarHBondContact O-N 3.35Å |
| 1218 | Q | 80.5 | Confident | 78.6 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.7 | -40.3 | 177.5 | -160.8 | 155 | -27 | 0 | 0 | 109.6 | A1210 E1215 E1220 A1221 L1222 | A1210-Q1218 HydrophobicContact CB-CB 4.19Å; E1215-Q1218 HydrophobicContact CB-CB 4Å; E1215-Q1218 PolarHBondContact O-N 2.82Å; E1215-Q1218 VanDerWaalsContact O-N 3.1Å; E1215-Q1218 VanDerWaalsContact OE2-CD 3.29Å; E1215-Q1218 PolarHBondContact OE2-OE1 2.6Å; Q1218-E1220 PolarHBondContact O-N 3.37Å; Q1218-A1221 PolarHBondContact O-N 2.79Å; Q1218-L1222 HydrophobicContact CG-CD1 4.41Å; Q1218-L1222 WeakPolarHBondContact O-CB 3.42Å; Q1218-L1222 WeakPolarHBondContact O-CD1 3.49Å; Q1218-L1222 WeakPolarHBondContact O-CG 3.4Å; Q1218-L1222 PolarHBondContact O-N 3.36Å |
| 1219 | A | 78.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1207 A1210 F1211 E1215 L1222 L1223 | A1207-A1219 HydrophobicContact CB-CB 4.49Å; A1207-A1219 WeakPolarHBondContact O-CB 3.3Å; A1210-A1219 HydrophobicContact CB-CB 3.63Å; F1211-A1219 HydrophobicContact CB-CB 4.45Å; F1211-A1219 HydrophobicContact CD1-CB 3.75Å; F1211-A1219 HydrophobicContact CD2-CB 3.57Å; F1211-A1219 HydrophobicContact CE1-CB 3.73Å; F1211-A1219 HydrophobicContact CE2-CB 3.49Å; F1211-A1219 VanDerWaalsContact CE2-CB 3.49Å; F1211-A1219 HydrophobicContact CG-CB 3.65Å; F1211-A1219 HydrophobicContact CZ-CB 3.58Å; E1215-A1219 WeakPolarHBondContact O-CB 3.48Å; E1215-A1219 PolarHBondContact O-N 3.29Å; A1219-L1222 PolarHBondContact O-N 2.84Å; A1219-L1223 WeakPolarHBondContact O-CB 3.35Å; A1219-L1223 WeakPolarHBondContact O-CG 3.49Å; A1219-L1223 PolarHBondContact O-N 3.31Å |
| 1220 | E | 82.9 | Confident | 78.6 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 9% | 0.093 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 173.8 | 178.7 | 176.4 | 161.9 | 0 | 0 | 111.4 | F1216 A1217 Q1218 L1222 L1223 L1224 Y1236 R1247 | F1216-E1220 VanDerWaalsContact O-CB 3.26Å; F1216-E1220 WeakPolarHBondContact O-CB 3.45Å; F1216-E1220 PolarHBondContact O-N 2.9Å; A1217-E1220 PolarHBondContact O-N 3.41Å; Q1218-E1220 PolarHBondContact O-N 3.37Å; E1220-L1222 PolarHBondContact O-N 3.1Å; E1220-L1223 PolarHBondContact O-N 2.72Å; E1220-L1224 HydrophobicContact CG-CD1 3.8Å; E1220-L1224 HydrophobicContact CG-CG 4.24Å; E1220-L1224 WeakPolarHBondContact O-CB 3.47Å; E1220-L1224 WeakPolarHBondContact O-CG 3.46Å; E1220-L1224 PolarHBondContact O-N 3.37Å; E1220-Y1236 PolarHBondContact OE2-OH 2.61Å; E1220-Y1236 VanDerWaalsContact OE2-OH 3.08Å; E1220-R1247 IonicContact OE1-CZ 2.74Å; E1220-R1247 IonicContact OE1-NH1 2.79Å; E1220-R1247 PolarHBondContact OE1-NH1 3.4Å; E1220-R1247 IonicContact OE1-NH2 2.68Å; E1220-R1247 IonicContact OE2-CZ 3.81Å; E1220-R1247 IonicContact OE2-NH1 3.23Å; E1220-R1247 PolarHBondContact OE2-NH1 3.22Å; E1220-R1247 IonicContact OE2-NH2 3.29Å; E1220-R1247 PolarHBondContact OE2-NH2 3.09Å |
| 1221 | A | 81.6 | Confident | 78.5 | Confident | 55 Ų | 55 | 68 Ų | 68 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.9 | -38.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1217 Q1218 R1225 | A1217-A1221 WeakPolarHBondContact O-CB 3.44Å; A1217-A1221 PolarHBondContact O-N 3.35Å; Q1218-A1221 PolarHBondContact O-N 2.79Å; A1221-R1225 PolarHBondContact O-N 2.73Å |
| 1222 | L | 80.7 | Confident | 78.4 | Confident | 21 Ų | 21 | 66.7 Ų | 66.7 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.4 | -42.7 | 176.4 | -69.7 | 164.1 | 0 | 0 | 0 | 112.3 | L1203 Q1206 A1207 A1210 Q1218 A1219 E1220 L1224 R1225 A1226 | L1203-L1222 HydrophobicContact CD2-CD2 3.72Å; Q1206-L1222 HydrophobicContact CB-CD1 3.58Å; Q1206-L1222 HydrophobicContact CB-CD2 4.04Å; Q1206-L1222 HydrophobicContact CB-CG 4.36Å; Q1206-L1222 VanDerWaalsContact OE1-CD2 3.32Å; A1207-L1222 HydrophobicContact CB-CB 3.75Å; A1210-L1222 HydrophobicContact CB-CD1 4.32Å; Q1218-L1222 HydrophobicContact CG-CD1 4.41Å; Q1218-L1222 WeakPolarHBondContact O-CB 3.42Å; Q1218-L1222 WeakPolarHBondContact O-CD1 3.49Å; Q1218-L1222 WeakPolarHBondContact O-CG 3.4Å; Q1218-L1222 PolarHBondContact O-N 3.36Å; A1219-L1222 PolarHBondContact O-N 2.84Å; E1220-L1222 PolarHBondContact O-N 3.1Å; L1222-L1224 VanDerWaalsContact C-N 3.3Å; L1222-L1224 PolarHBondContact O-N 2.82Å; L1222-R1225 PolarHBondContact O-N 2.62Å; L1222-A1226 WeakPolarHBondContact O-CB 3.4Å; L1222-A1226 PolarHBondContact O-N 2.71Å |
| 1223 | L | 81.6 | Confident | 78.8 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.4 | -33.6 | 174.7 | -77.5 | -173 | 0 | 0 | 0 | 113.4 | L1204 A1207 F1211 A1219 E1220 A1226 Q1227 R1228 M1231 A1232 | L1204-L1223 HydrophobicContact CD2-CD2 3.17Å; L1204-L1223 HydrophobicContact CG-CD2 4.25Å; A1207-L1223 HydrophobicContact CB-CD2 3.9Å; A1207-L1223 HydrophobicContact CB-CG 3.81Å; F1211-L1223 HydrophobicContact CE2-CD1 3.36Å; F1211-L1223 HydrophobicContact CE2-CG 3.94Å; F1211-L1223 HydrophobicContact CZ-CD1 3.6Å; F1211-L1223 HydrophobicContact CZ-CG 4.48Å; A1219-L1223 WeakPolarHBondContact O-CB 3.35Å; A1219-L1223 WeakPolarHBondContact O-CG 3.49Å; A1219-L1223 PolarHBondContact O-N 3.31Å; E1220-L1223 PolarHBondContact O-N 2.72Å; L1223-A1226 PolarHBondContact O-N 2.64Å; L1223-Q1227 PolarHBondContact O-N 2.95Å; L1223-R1228 PolarHBondContact O-N 3.49Å; L1223-R1228 VanDerWaalsContact O-N 3.09Å; L1223-M1231 HydrophobicContact CD1-CB 4.34Å; L1223-M1231 HydrophobicContact CD2-CB 4.13Å; L1223-A1232 HydrophobicContact CB-CB 4.33Å; L1223-A1232 HydrophobicContact CD1-CB 3.41Å; L1223-A1232 VanDerWaalsContact CD1-CB 3.41Å |
| 1224 | L | 81.5 | Confident | 78.9 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.1 | -40.1 | 175.2 | -69.2 | 172.6 | 0 | 0 | 0 | 111.5 | E1220 L1222 A1226 Q1227 P1229 Y1252 | E1220-L1224 HydrophobicContact CG-CD1 3.8Å; E1220-L1224 HydrophobicContact CG-CG 4.24Å; E1220-L1224 WeakPolarHBondContact O-CB 3.47Å; E1220-L1224 WeakPolarHBondContact O-CG 3.46Å; E1220-L1224 PolarHBondContact O-N 3.37Å; L1222-L1224 VanDerWaalsContact C-N 3.3Å; L1222-L1224 PolarHBondContact O-N 2.82Å; L1224-A1226 PolarHBondContact O-N 3.34Å; L1224-Q1227 PolarHBondContact O-N 3Å; L1224-P1229 HydrophobicContact CD2-CB 4.29Å; L1224-Y1252 HydrophobicContact CD1-CE1 4.16Å; L1224-Y1252 HydrophobicContact CD1-CE2 3.74Å; L1224-Y1252 VanDerWaalsContact CD1-CZ 3.44Å; L1224-Y1252 WeakPolarHBondContact CD1-OH 3.36Å; L1224-Y1252 HydrophobicContact CD2-CD1 3.64Å; L1224-Y1252 HydrophobicContact CD2-CD2 3.46Å; L1224-Y1252 VanDerWaalsContact CD2-CD2 3.46Å; L1224-Y1252 HydrophobicContact CD2-CE1 3.54Å; L1224-Y1252 HydrophobicContact CD2-CE2 3.36Å; L1224-Y1252 HydrophobicContact CD2-CG 3.61Å; L1224-Y1252 VanDerWaalsContact CD2-CZ 3.4Å; L1224-Y1252 HydrophobicContact CG-CE1 4.44Å; L1224-Y1252 HydrophobicContact CG-CE2 4.15Å |
| 1225 | R | 79.2 | Confident | 79.1 | Confident | 191 Ų | 191 | 56.8 Ų | 56.8 | 72% | 0.721 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.5 | -34.8 | 168.6 | -87.2 | -177 | 165.3 | 167.6 | -3.3 | 111.9 | L1203 A1221 L1222 Q1227 | L1203-R1225 HydrophobicContact CD1-CB 3.76Å; L1203-R1225 HydrophobicContact CD2-CB 4.09Å; A1221-R1225 PolarHBondContact O-N 2.73Å; L1222-R1225 PolarHBondContact O-N 2.62Å; R1225-Q1227 PolarHBondContact O-N 3.35Å |
| 1226 | A | 73.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 3.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1200 L1203 L1204 L1222 L1223 L1224 R1228 | N1200-A1226 HydrophobicContact CB-CB 4.19Å; N1200-A1226 VanDerWaalsContact CG-O 3.25Å; N1200-A1226 VanDerWaalsContact OD1-C 3.25Å; N1200-A1226 WeakPolarHBondContact OD1-CA 3.46Å; N1200-A1226 PolarHBondContact OD1-O 2.99Å; L1203-A1226 HydrophobicContact CB-CB 3.81Å; L1203-A1226 HydrophobicContact CD1-CB 4.33Å; L1204-A1226 HydrophobicContact CG-CB 4.17Å; L1222-A1226 WeakPolarHBondContact O-CB 3.4Å; L1222-A1226 PolarHBondContact O-N 2.71Å; L1223-A1226 PolarHBondContact O-N 2.64Å; L1224-A1226 PolarHBondContact O-N 3.34Å; A1226-R1228 WeakPolarHBondContact O-CG 3.35Å; A1226-R1228 PolarHBondContact O-N 3.4Å |
| 1227 | Q | 76.7 | Confident | 79.1 | Confident | 161 Ų | 161 | 53.8 Ų | 53.8 | 75% | 0.752 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 29 | -173 | -58.9 | -171.6 | -0.5 | 0 | 0 | 114.2 | L1223 L1224 R1225 P1229 | L1223-Q1227 PolarHBondContact O-N 2.95Å; L1224-Q1227 PolarHBondContact O-N 3Å; R1225-Q1227 PolarHBondContact O-N 3.35Å; Q1227-P1229 VanDerWaalsContact O-CD 3.23Å; Q1227-P1229 WeakPolarHBondContact O-CD 3.48Å |
| 1228 | R | 73.7 | Confident | 78.8 | Confident | 121 Ų | 121 | 56.1 Ų | 56.1 | 46% | 0.457 | 26% | 0.258 | S | S | . | . | trans | -118.6 | 58.8 | 180 | -70.4 | -77.9 | -109.2 | -142.7 | -8.2 | 111.8 | L1204 L1223 A1226 D1230 M1231 A1232 | L1204-R1228 HydrophobicContact CD1-CG 4.46Å; L1204-R1228 HydrophobicContact CD2-CB 4.41Å; L1223-R1228 PolarHBondContact O-N 3.49Å; L1223-R1228 VanDerWaalsContact O-N 3.09Å; A1226-R1228 WeakPolarHBondContact O-CG 3.35Å; A1226-R1228 PolarHBondContact O-N 3.4Å; R1228-D1230 WeakPolarHBondContact CA-OD1 3.36Å; R1228-D1230 PolarHBondContact O-N 3.34Å; R1228-M1231 HydrophobicContact CB-CB 4.17Å; R1228-M1231 HydrophobicContact CB-CG 4.16Å; R1228-M1231 WeakPolarHBondContact O-CB 3.31Å; R1228-M1231 PolarHBondContact O-N 2.98Å; R1228-M1231 VanDerWaalsContact O-N 3.14Å; R1228-A1232 PolarHBondContact O-N 3.37Å | ||
| 1229 | P | 79.2 | Confident | 78.5 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -24.1 | 174.9 | 24.5 | -30.8 | 0 | 0 | 0 | 112.3 | L1224 Q1227 M1231 A1232 V1233 V1248 Y1252 L1253 | L1224-P1229 HydrophobicContact CD2-CB 4.29Å; Q1227-P1229 VanDerWaalsContact O-CD 3.23Å; Q1227-P1229 WeakPolarHBondContact O-CD 3.48Å; P1229-M1231 VanDerWaalsContact C-N 3.33Å; P1229-M1231 PolarHBondContact O-N 2.83Å; P1229-A1232 WeakPolarHBondContact O-CB 3.44Å; P1229-A1232 PolarHBondContact O-N 3.47Å; P1229-V1233 VanDerWaalsContact O-CG2 3.29Å; P1229-V1233 WeakPolarHBondContact O-CG2 3.48Å; P1229-V1233 PolarHBondContact O-N 2.76Å; P1229-V1248 HydrophobicContact CB-CG1 4.3Å; P1229-Y1252 HydrophobicContact CB-CD2 4.41Å; P1229-Y1252 HydrophobicContact CB-CG 4.07Å; P1229-L1253 HydrophobicContact CB-CD1 3.95Å; P1229-L1253 HydrophobicContact CB-CG 4.4Å; P1229-L1253 HydrophobicContact CG-CD1 3.78Å; P1229-L1253 HydrophobicContact CG-CG 3.96Å |
| 1230 | D | 78.7 | Confident | 78.2 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -34.2 | 176.5 | 59.7 | -44.5 | 0 | 0 | 0 | 112.5 | R1228 V1233 R1234 L1253 R1256 | R1228-D1230 WeakPolarHBondContact CA-OD1 3.36Å; R1228-D1230 PolarHBondContact O-N 3.34Å; D1230-V1233 PolarHBondContact O-N 2.67Å; D1230-R1234 WeakPolarHBondContact O-CB 3.32Å; D1230-R1234 PolarHBondContact O-N 3.16Å; D1230-L1253 HydrophobicContact CB-CD1 3.52Å; D1230-R1256 IonicContact OD2-NH1 2.83Å |
| 1231 | M | 78.3 | Confident | 77.9 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 171.8 | -79.2 | -86.9 | -76.9 | 0 | 0 | 110.9 | L1204 L1223 R1228 P1229 V1233 R1234 V1235 | L1204-M1231 HydrophobicContact CD2-CB 4.47Å; L1204-M1231 HydrophobicContact CD2-CE 3.63Å; L1204-M1231 HydrophobicContact CD2-CG 4.33Å; L1223-M1231 HydrophobicContact CD1-CB 4.34Å; L1223-M1231 HydrophobicContact CD2-CB 4.13Å; R1228-M1231 HydrophobicContact CB-CB 4.17Å; R1228-M1231 HydrophobicContact CB-CG 4.16Å; R1228-M1231 WeakPolarHBondContact O-CB 3.31Å; R1228-M1231 PolarHBondContact O-N 2.98Å; R1228-M1231 VanDerWaalsContact O-N 3.14Å; P1229-M1231 VanDerWaalsContact C-N 3.33Å; P1229-M1231 PolarHBondContact O-N 2.83Å; M1231-V1233 VanDerWaalsContact C-N 3.32Å; M1231-V1233 PolarHBondContact O-N 2.82Å; M1231-R1234 PolarHBondContact O-N 3.17Å; M1231-R1234 VanDerWaalsContact SD-CZ 3.6Å; M1231-R1234 PolarHBondContact SD-NH2 2.81Å; M1231-V1235 WeakPolarHBondContact O-CB 3.34Å; M1231-V1235 VanDerWaalsContact O-CG2 3.28Å; M1231-V1235 WeakPolarHBondContact O-CG2 3.43Å; M1231-V1235 PolarHBondContact O-N 2.79Å |
| 1232 | A | 76.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1223 R1228 P1229 R1234 V1235 Y1236 V1248 | L1223-A1232 HydrophobicContact CB-CB 4.33Å; L1223-A1232 HydrophobicContact CD1-CB 3.41Å; L1223-A1232 VanDerWaalsContact CD1-CB 3.41Å; R1228-A1232 PolarHBondContact O-N 3.37Å; P1229-A1232 WeakPolarHBondContact O-CB 3.44Å; P1229-A1232 PolarHBondContact O-N 3.47Å; A1232-R1234 VanDerWaalsContact C-N 3.33Å; A1232-R1234 PolarHBondContact O-N 2.87Å; A1232-V1235 PolarHBondContact O-N 2.89Å; A1232-Y1236 HydrophobicContact CB-CD2 4.42Å; A1232-Y1236 HydrophobicContact CB-CE2 4.41Å; A1232-Y1236 WeakPolarHBondContact O-CB 3.4Å; A1232-Y1236 WeakPolarHBondContact O-CD2 3.37Å; A1232-Y1236 PolarHBondContact O-N 3.08Å; A1232-V1248 HydrophobicContact CB-CG1 3.71Å |
| 1233 | V | 81.9 | Confident | 77.6 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 175.2 | 175.3 | 0 | 0 | 0 | 0 | 112 | P1229 D1230 M1231 R1237 A1245 V1248 A1249 L1260 | P1229-V1233 VanDerWaalsContact O-CG2 3.29Å; P1229-V1233 WeakPolarHBondContact O-CG2 3.48Å; P1229-V1233 PolarHBondContact O-N 2.76Å; D1230-V1233 PolarHBondContact O-N 2.67Å; M1231-V1233 VanDerWaalsContact C-N 3.32Å; M1231-V1233 PolarHBondContact O-N 2.82Å; V1233-R1237 WeakPolarHBondContact O-CB 3.28Å; V1233-R1237 PolarHBondContact O-N 2.73Å; V1233-A1245 HydrophobicContact CG1-CB 4.16Å; V1233-A1245 WeakPolarHBondContact CG2-O 3.48Å; V1233-A1245 WeakPolarHBondContact O-CB 3.41Å; V1233-V1248 HydrophobicContact CG2-CB 3.87Å; V1233-V1248 HydrophobicContact CG2-CG1 3.71Å; V1233-A1249 HydrophobicContact CG1-CB 4.25Å; V1233-A1249 HydrophobicContact CG2-CB 3.79Å; V1233-L1260 HydrophobicContact CG1-CD1 3.34Å; V1233-L1260 HydrophobicContact CG1-CD2 3.9Å; V1233-L1260 HydrophobicContact CG1-CG 4.26Å |
| 1234 | R | 79.9 | Confident | 77.5 | Confident | 105 Ų | 105 | 67.7 Ų | 67.7 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.1 | -41.4 | 179.6 | -164.2 | -176.7 | 73.8 | -150.3 | -2.7 | 112.4 | D1230 M1231 A1232 R1237 E1238 | D1230-R1234 WeakPolarHBondContact O-CB 3.32Å; D1230-R1234 PolarHBondContact O-N 3.16Å; M1231-R1234 PolarHBondContact O-N 3.17Å; M1231-R1234 VanDerWaalsContact SD-CZ 3.6Å; M1231-R1234 PolarHBondContact SD-NH2 2.81Å; A1232-R1234 VanDerWaalsContact C-N 3.33Å; A1232-R1234 PolarHBondContact O-N 2.87Å; R1234-R1237 CarbonylContact O-C 3.46Å; R1234-R1237 WeakPolarHBondContact O-CB 3.3Å; R1234-R1237 PolarHBondContact O-N 2.86Å; R1234-E1238 WeakPolarHBondContact CD-OE1 3.38Å; R1234-E1238 HydrophobicContact CG-CG 4.35Å; R1234-E1238 WeakPolarHBondContact CG-OE1 3.28Å; R1234-E1238 IonicContact NE-OE1 3.84Å; R1234-E1238 PolarHBondContact NE-OE1 3.48Å; R1234-E1238 WeakPolarHBondContact O-CB 3.45Å; R1234-E1238 WeakPolarHBondContact O-CG 3.49Å; R1234-E1238 PolarHBondContact O-N 3.09Å |
| 1235 | V | 75.7 | Confident | 77.2 | Confident | 34 Ų | 34 | 65.5 Ų | 65.5 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 110 | F1211 M1231 A1232 R1237 E1238 A1239 | F1211-V1235 HydrophobicContact CD1-CG1 3.72Å; F1211-V1235 HydrophobicContact CD2-CG1 4.19Å; F1211-V1235 HydrophobicContact CE1-CB 4.44Å; F1211-V1235 HydrophobicContact CE1-CG1 3.7Å; F1211-V1235 HydrophobicContact CE2-CG1 4.22Å; F1211-V1235 HydrophobicContact CG-CG1 4Å; F1211-V1235 HydrophobicContact CZ-CB 4.3Å; F1211-V1235 HydrophobicContact CZ-CG1 3.98Å; M1231-V1235 WeakPolarHBondContact O-CB 3.34Å; M1231-V1235 VanDerWaalsContact O-CG2 3.28Å; M1231-V1235 WeakPolarHBondContact O-CG2 3.43Å; M1231-V1235 PolarHBondContact O-N 2.79Å; A1232-V1235 PolarHBondContact O-N 2.89Å; V1235-R1237 VanDerWaalsContact C-N 3.29Å; V1235-R1237 PolarHBondContact O-N 2.8Å; V1235-E1238 PolarHBondContact O-N 3.18Å; V1235-A1239 WeakPolarHBondContact O-CB 3.38Å; V1235-A1239 PolarHBondContact O-N 3.23Å |
| 1236 | Y | 81.9 | Confident | 77.2 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 170.4 | -75.9 | -56 | 0 | 0 | 0 | 111.4 | F1216 E1220 A1232 G1240 M1241 E1244 V1248 | F1216-Y1236 HydrophobicContact CB-CE1 4.35Å; F1216-Y1236 HydrophobicContact CD1-CE1 4.25Å; F1216-Y1236 HydrophobicContact CG-CE1 4.49Å; E1220-Y1236 PolarHBondContact OE2-OH 2.61Å; E1220-Y1236 VanDerWaalsContact OE2-OH 3.08Å; A1232-Y1236 HydrophobicContact CB-CD2 4.42Å; A1232-Y1236 HydrophobicContact CB-CE2 4.41Å; A1232-Y1236 WeakPolarHBondContact O-CB 3.4Å; A1232-Y1236 WeakPolarHBondContact O-CD2 3.37Å; A1232-Y1236 PolarHBondContact O-N 3.08Å; Y1236-G1240 PolarHBondContact O-N 3.02Å; Y1236-M1241 HydrophobicContact CD1-CB 3.99Å; Y1236-M1241 HydrophobicContact CD1-CE 3.6Å; Y1236-M1241 HydrophobicContact CD1-SD 4.07Å; Y1236-M1241 HydrophobicContact CE1-CE 3.93Å; Y1236-M1241 HydrophobicContact CE1-SD 4.28Å; Y1236-M1241 CarbonylContact O-C 3.58Å; Y1236-M1241 WeakPolarHBondContact O-CA 3.35Å; Y1236-M1241 PolarHBondContact O-N 3.07Å; Y1236-E1244 HydrophobicContact CD1-CB 3.39Å; Y1236-E1244 HydrophobicContact CD1-CG 4.19Å; Y1236-E1244 HydrophobicContact CD2-CB 4Å; Y1236-E1244 HydrophobicContact CE1-CB 3.64Å; Y1236-E1244 HydrophobicContact CE1-CG 4.13Å; Y1236-E1244 HydrophobicContact CE2-CB 4.23Å; Y1236-E1244 HydrophobicContact CG-CB 3.6Å; Y1236-V1248 HydrophobicContact CD2-CG2 3.9Å; Y1236-V1248 HydrophobicContact CE2-CG2 3.65Å |
| 1237 | R | 78.4 | Confident | 77.7 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 32% | 0.317 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 175.1 | -171.2 | -176.3 | 78.6 | 172.4 | 8 | 113.1 | V1233 R1234 V1235 A1239 G1240 W1242 A1245 | V1233-R1237 WeakPolarHBondContact O-CB 3.28Å; V1233-R1237 PolarHBondContact O-N 2.73Å; R1234-R1237 CarbonylContact O-C 3.46Å; R1234-R1237 WeakPolarHBondContact O-CB 3.3Å; R1234-R1237 PolarHBondContact O-N 2.86Å; V1235-R1237 VanDerWaalsContact C-N 3.29Å; V1235-R1237 PolarHBondContact O-N 2.8Å; R1237-A1239 VanDerWaalsContact C-N 3.35Å; R1237-G1240 PolarHBondContact O-N 3.19Å; R1237-G1240 VanDerWaalsContact O-N 3.09Å; R1237-W1242 HydrophobicContact CG-CD2 4.24Å; R1237-W1242 HydrophobicContact CG-CE3 3.8Å; R1237-W1242 HydrophobicContact CG-CH2 3.43Å; R1237-W1242 VanDerWaalsContact CG-CH2 3.43Å; R1237-W1242 HydrophobicContact CG-CZ2 3.82Å; R1237-W1242 HydrophobicContact CG-CZ3 3.41Å; R1237-W1242 VanDerWaalsContact CG-CZ3 3.41Å; R1237-A1245 HydrophobicContact CB-CB 4.35Å |
| 1238 | E | 74.2 | Confident | 77.8 | Confident | 127 Ų | 127 | 55.2 Ų | 55.2 | 59% | 0.593 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -69.1 | -33.3 | 179.1 | -75.6 | 170.5 | -172.7 | 0 | 0 | 111.6 | R1234 V1235 G1240 | R1234-E1238 WeakPolarHBondContact CD-OE1 3.38Å; R1234-E1238 HydrophobicContact CG-CG 4.35Å; R1234-E1238 WeakPolarHBondContact CG-OE1 3.28Å; R1234-E1238 IonicContact NE-OE1 3.84Å; R1234-E1238 PolarHBondContact NE-OE1 3.48Å; R1234-E1238 WeakPolarHBondContact O-CB 3.45Å; R1234-E1238 WeakPolarHBondContact O-CG 3.49Å; R1234-E1238 PolarHBondContact O-N 3.09Å; V1235-E1238 PolarHBondContact O-N 3.18Å; E1238-G1240 PolarHBondContact O-N 2.99Å |
| 1239 | A | 73.5 | Confident | 77.9 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 48% | 0.479 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 1.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1235 R1237 M1241 | V1235-A1239 WeakPolarHBondContact O-CB 3.38Å; V1235-A1239 PolarHBondContact O-N 3.23Å; R1237-A1239 VanDerWaalsContact C-N 3.35Å; A1239-M1241 HydrophobicContact CB-CE 3.55Å; A1239-M1241 PolarHBondContact O-N 2.65Å |
| 1240 | G | 73.4 | Confident | 78 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 47% | 0.474 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 2.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1236 R1237 E1238 W1242 | Y1236-G1240 PolarHBondContact O-N 3.02Å; R1237-G1240 PolarHBondContact O-N 3.19Å; R1237-G1240 VanDerWaalsContact O-N 3.09Å; E1238-G1240 PolarHBondContact O-N 2.99Å; G1240-W1242 VanDerWaalsContact O-CD1 3.32Å; G1240-W1242 PolarHBondContact O-N 3.48Å |
| 1241 | M | 76.6 | Confident | 78 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | trans | -81.6 | 63.8 | 175.7 | -64.4 | -174.1 | -82.9 | 0 | 0 | 110.7 | F1216 Y1236 A1239 E1243 E1244 A1245 | F1216-M1241 HydrophobicContact CD1-CE 3.76Å; F1216-M1241 HydrophobicContact CE1-CE 3.32Å; F1216-M1241 HydrophobicContact CE2-CE 4.18Å; F1216-M1241 HydrophobicContact CG-CE 4.38Å; F1216-M1241 HydrophobicContact CZ-CE 3.55Å; F1216-M1241 HydrophobicContact CZ-SD 4.45Å; Y1236-M1241 HydrophobicContact CD1-CB 3.99Å; Y1236-M1241 HydrophobicContact CD1-CE 3.6Å; Y1236-M1241 HydrophobicContact CD1-SD 4.07Å; Y1236-M1241 HydrophobicContact CE1-CE 3.93Å; Y1236-M1241 HydrophobicContact CE1-SD 4.28Å; Y1236-M1241 CarbonylContact O-C 3.58Å; Y1236-M1241 WeakPolarHBondContact O-CA 3.35Å; Y1236-M1241 PolarHBondContact O-N 3.07Å; A1239-M1241 HydrophobicContact CB-CE 3.55Å; A1239-M1241 PolarHBondContact O-N 2.65Å; M1241-E1243 PolarHBondContact O-N 3.17Å; M1241-E1244 HydrophobicContact CB-CB 4.19Å; M1241-E1244 HydrophobicContact CB-CG 4.32Å; M1241-E1244 PolarHBondContact O-N 3.28Å; M1241-A1245 PolarHBondContact O-N 3.43Å | ||
| 1242 | W | 77.3 | Confident | 77.8 | Confident | 68 Ų | 68 | 59.5 Ų | 59.5 | 26% | 0.258 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.6 | -31 | -178.5 | -69.5 | 96.6 | 0 | 0 | 0 | 113.4 | R1237 G1240 A1245 I1246 L1260 L1264 E1267 | R1237-W1242 HydrophobicContact CG-CD2 4.24Å; R1237-W1242 HydrophobicContact CG-CE3 3.8Å; R1237-W1242 HydrophobicContact CG-CH2 3.43Å; R1237-W1242 VanDerWaalsContact CG-CH2 3.43Å; R1237-W1242 HydrophobicContact CG-CZ2 3.82Å; R1237-W1242 HydrophobicContact CG-CZ3 3.41Å; R1237-W1242 VanDerWaalsContact CG-CZ3 3.41Å; G1240-W1242 VanDerWaalsContact O-CD1 3.32Å; G1240-W1242 PolarHBondContact O-N 3.48Å; W1242-A1245 PolarHBondContact O-N 3.37Å; W1242-I1246 WeakPolarHBondContact O-CB 3.31Å; W1242-I1246 WeakPolarHBondContact O-CD1 3.33Å; W1242-I1246 WeakPolarHBondContact O-CG1 3.46Å; W1242-I1246 PolarHBondContact O-N 2.95Å; W1242-L1260 HydrophobicContact CZ3-CD2 4.44Å; W1242-L1264 HydrophobicContact CB-CD1 4.15Å; W1242-L1264 HydrophobicContact CD2-CD1 3.55Å; W1242-L1264 HydrophobicContact CE3-CD1 3.36Å; W1242-L1264 HydrophobicContact CE3-CG 4.43Å; W1242-L1264 HydrophobicContact CG-CD1 3.92Å; W1242-L1264 HydrophobicContact CH2-CD1 4.45Å; W1242-L1264 HydrophobicContact CZ3-CB 4.16Å; W1242-L1264 HydrophobicContact CZ3-CD1 3.82Å; W1242-L1264 HydrophobicContact CZ3-CG 4.45Å; W1242-E1267 WeakPolarHBondContact CH2-OE2 3.49Å; W1242-E1267 WeakPolarHBondContact CZ2-OE2 3.34Å |
| 1243 | E | 77.3 | Confident | 77.5 | Confident | 164 Ų | 164 | 61.6 Ų | 61.6 | 77% | 0.766 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.7 | -43.6 | 178 | -65.8 | -177.2 | 170.7 | 0 | 0 | 111.8 | M1241 I1246 R1247 | M1241-E1243 PolarHBondContact O-N 3.17Å; E1243-I1246 PolarHBondContact O-N 3.1Å; E1243-R1247 PolarHBondContact O-N 3.13Å |
| 1244 | E | 80.2 | Confident | 77.2 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70 | -36.2 | 175.2 | -62.1 | -57.3 | 130.6 | 0 | 0 | 111.6 | Y1236 M1241 I1246 R1247 V1248 | Y1236-E1244 HydrophobicContact CD1-CB 3.39Å; Y1236-E1244 HydrophobicContact CD1-CG 4.19Å; Y1236-E1244 HydrophobicContact CD2-CB 4Å; Y1236-E1244 HydrophobicContact CE1-CB 3.64Å; Y1236-E1244 HydrophobicContact CE1-CG 4.13Å; Y1236-E1244 HydrophobicContact CE2-CB 4.23Å; Y1236-E1244 HydrophobicContact CG-CB 3.6Å; M1241-E1244 HydrophobicContact CB-CB 4.19Å; M1241-E1244 HydrophobicContact CB-CG 4.32Å; M1241-E1244 PolarHBondContact O-N 3.28Å; E1244-I1246 VanDerWaalsContact C-N 3.26Å; E1244-I1246 PolarHBondContact O-N 2.96Å; E1244-R1247 PolarHBondContact O-N 3.14Å; E1244-R1247 IonicContact OE2-CZ 3.45Å; E1244-R1247 IonicContact OE2-NE 2.68Å; E1244-R1247 PolarHBondContact OE2-NE 2.71Å; E1244-R1247 IonicContact OE2-NH2 3.74Å; E1244-R1247 PolarHBondContact OE2-NH2 3Å; E1244-V1248 WeakPolarHBondContact O-CG2 3.45Å; E1244-V1248 PolarHBondContact O-N 2.96Å |
| 1245 | A | 74.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1233 R1237 M1241 W1242 A1249 | V1233-A1245 HydrophobicContact CG1-CB 4.16Å; V1233-A1245 WeakPolarHBondContact CG2-O 3.48Å; V1233-A1245 WeakPolarHBondContact O-CB 3.41Å; R1237-A1245 HydrophobicContact CB-CB 4.35Å; M1241-A1245 PolarHBondContact O-N 3.43Å; W1242-A1245 PolarHBondContact O-N 3.37Å; A1245-A1249 WeakPolarHBondContact O-CB 3.27Å; A1245-A1249 PolarHBondContact O-N 2.93Å |
| 1246 | I | 79.5 | Confident | 76.4 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.9 | -43.5 | 174.6 | -69.2 | 164.6 | 0 | 0 | 0 | 110.5 | W1242 E1243 E1244 V1248 A1249 E1250 | W1242-I1246 WeakPolarHBondContact O-CB 3.31Å; W1242-I1246 WeakPolarHBondContact O-CD1 3.33Å; W1242-I1246 WeakPolarHBondContact O-CG1 3.46Å; W1242-I1246 PolarHBondContact O-N 2.95Å; E1243-I1246 PolarHBondContact O-N 3.1Å; E1244-I1246 VanDerWaalsContact C-N 3.26Å; E1244-I1246 PolarHBondContact O-N 2.96Å; I1246-V1248 PolarHBondContact O-N 2.82Å; I1246-A1249 PolarHBondContact O-N 3.23Å; I1246-E1250 HydrophobicContact CG2-CG 4.06Å; I1246-E1250 WeakPolarHBondContact O-CB 3.38Å; I1246-E1250 WeakPolarHBondContact O-CG 3.4Å; I1246-E1250 PolarHBondContact O-N 3.32Å |
| 1247 | R | 84 | Confident | 75.7 | Confident | 87 Ų | 87 | 72 Ų | 72 | 33% | 0.328 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.9 | -51.5 | 177.4 | -178.6 | -176.6 | 59.1 | 86.9 | 2.2 | 111 | E1220 E1243 E1244 E1250 T1251 | E1220-R1247 IonicContact OE1-CZ 2.74Å; E1220-R1247 IonicContact OE1-NH1 2.79Å; E1220-R1247 PolarHBondContact OE1-NH1 3.4Å; E1220-R1247 IonicContact OE1-NH2 2.68Å; E1220-R1247 IonicContact OE2-CZ 3.81Å; E1220-R1247 IonicContact OE2-NH1 3.23Å; E1220-R1247 PolarHBondContact OE2-NH1 3.22Å; E1220-R1247 IonicContact OE2-NH2 3.29Å; E1220-R1247 PolarHBondContact OE2-NH2 3.09Å; E1243-R1247 PolarHBondContact O-N 3.13Å; E1244-R1247 PolarHBondContact O-N 3.14Å; E1244-R1247 IonicContact OE2-CZ 3.45Å; E1244-R1247 IonicContact OE2-NE 2.68Å; E1244-R1247 PolarHBondContact OE2-NE 2.71Å; E1244-R1247 IonicContact OE2-NH2 3.74Å; E1244-R1247 PolarHBondContact OE2-NH2 3Å; R1247-E1250 PolarHBondContact O-N 3.26Å; R1247-T1251 PolarHBondContact O-N 3.43Å; R1247-T1251 PolarHBondContact O-OG1 3.34Å |
| 1248 | V | 78.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 179.6 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | P1229 A1232 V1233 Y1236 E1244 I1246 T1251 Y1252 | P1229-V1248 HydrophobicContact CB-CG1 4.3Å; A1232-V1248 HydrophobicContact CB-CG1 3.71Å; V1233-V1248 HydrophobicContact CG2-CB 3.87Å; V1233-V1248 HydrophobicContact CG2-CG1 3.71Å; Y1236-V1248 HydrophobicContact CD2-CG2 3.9Å; Y1236-V1248 HydrophobicContact CE2-CG2 3.65Å; E1244-V1248 WeakPolarHBondContact O-CG2 3.45Å; E1244-V1248 PolarHBondContact O-N 2.96Å; I1246-V1248 PolarHBondContact O-N 2.82Å; V1248-T1251 WeakPolarHBondContact CA-OG1 3.27Å; V1248-T1251 PolarHBondContact O-N 3.2Å; V1248-T1251 PolarHBondContact O-OG1 3.17Å; V1248-Y1252 HydrophobicContact CG1-CD2 3.87Å; V1248-Y1252 PolarHBondContact O-N 2.89Å |
| 1249 | A | 76.7 | Confident | 75.4 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1233 A1245 I1246 L1253 A1257 L1260 | V1233-A1249 HydrophobicContact CG1-CB 4.25Å; V1233-A1249 HydrophobicContact CG2-CB 3.79Å; A1245-A1249 WeakPolarHBondContact O-CB 3.27Å; A1245-A1249 PolarHBondContact O-N 2.93Å; I1246-A1249 PolarHBondContact O-N 3.23Å; A1249-L1253 CarbonylContact O-C 3.47Å; A1249-L1253 VanDerWaalsContact O-CA 3.3Å; A1249-L1253 WeakPolarHBondContact O-CA 3.37Å; A1249-L1253 PolarHBondContact O-N 2.78Å; A1249-A1257 HydrophobicContact CB-CB 4.25Å; A1249-L1260 HydrophobicContact CB-CD1 4.11Å |
| 1250 | E | 79.9 | Confident | 75 | Confident | 103 Ų | 103 | 72.7 Ų | 72.7 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.6 | -36.6 | 177.8 | -73.9 | -178.9 | 166.9 | 0 | 0 | 112.2 | I1246 R1247 A1257 K1261 | I1246-E1250 HydrophobicContact CG2-CG 4.06Å; I1246-E1250 WeakPolarHBondContact O-CB 3.38Å; I1246-E1250 WeakPolarHBondContact O-CG 3.4Å; I1246-E1250 PolarHBondContact O-N 3.32Å; R1247-E1250 PolarHBondContact O-N 3.26Å; E1250-A1257 HydrophobicContact CG-CB 4.24Å; E1250-K1261 WeakPolarHBondContact OE1-CE 3.43Å; E1250-K1261 IonicContact OE1-NZ 2.69Å; E1250-K1261 PolarHBondContact OE1-NZ 3.33Å |
| 1251 | T | 79.3 | Confident | 75 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -80.3 | -34.4 | -179.8 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | R1247 V1248 | R1247-T1251 PolarHBondContact O-N 3.43Å; R1247-T1251 PolarHBondContact O-OG1 3.34Å; V1248-T1251 WeakPolarHBondContact CA-OG1 3.27Å; V1248-T1251 PolarHBondContact O-N 3.2Å; V1248-T1251 PolarHBondContact O-OG1 3.17Å |
| 1252 | Y | 74.2 | Confident | 74.8 | Confident | 109 Ų | 109 | 74 Ų | 74 | 43% | 0.427 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -123.3 | -17 | -170.5 | -55.8 | -73.8 | 0 | 0 | 0 | 115.3 | L1224 P1229 V1248 | L1224-Y1252 HydrophobicContact CD1-CE1 4.16Å; L1224-Y1252 HydrophobicContact CD1-CE2 3.74Å; L1224-Y1252 VanDerWaalsContact CD1-CZ 3.44Å; L1224-Y1252 WeakPolarHBondContact CD1-OH 3.36Å; L1224-Y1252 HydrophobicContact CD2-CD1 3.64Å; L1224-Y1252 HydrophobicContact CD2-CD2 3.46Å; L1224-Y1252 VanDerWaalsContact CD2-CD2 3.46Å; L1224-Y1252 HydrophobicContact CD2-CE1 3.54Å; L1224-Y1252 HydrophobicContact CD2-CE2 3.36Å; L1224-Y1252 HydrophobicContact CD2-CG 3.61Å; L1224-Y1252 VanDerWaalsContact CD2-CZ 3.4Å; L1224-Y1252 HydrophobicContact CG-CE1 4.44Å; L1224-Y1252 HydrophobicContact CG-CE2 4.15Å; P1229-Y1252 HydrophobicContact CB-CD2 4.41Å; P1229-Y1252 HydrophobicContact CB-CG 4.07Å; V1248-Y1252 HydrophobicContact CG1-CD2 3.87Å; V1248-Y1252 PolarHBondContact O-N 2.89Å |
| 1253 | L | 70.8 | Confident | 74.2 | Confident | 43 Ų | 43 | 75 Ų | 75 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | trans | -138.1 | 57.6 | -177.8 | -83 | 158.6 | 0 | 0 | 0 | 112.8 | P1229 D1230 A1249 N1255 R1256 A1257 | P1229-L1253 HydrophobicContact CB-CD1 3.95Å; P1229-L1253 HydrophobicContact CB-CG 4.4Å; P1229-L1253 HydrophobicContact CG-CD1 3.78Å; P1229-L1253 HydrophobicContact CG-CG 3.96Å; D1230-L1253 HydrophobicContact CB-CD1 3.52Å; A1249-L1253 CarbonylContact O-C 3.47Å; A1249-L1253 VanDerWaalsContact O-CA 3.3Å; A1249-L1253 WeakPolarHBondContact O-CA 3.37Å; A1249-L1253 PolarHBondContact O-N 2.78Å; L1253-N1255 PolarHBondContact O-N 3.1Å; L1253-N1255 VanDerWaalsContact O-N 3.07Å; L1253-R1256 HydrophobicContact CB-CB 4.44Å; L1253-R1256 PolarHBondContact O-N 3.34Å; L1253-A1257 PolarHBondContact O-N 3.37Å | ||
| 1254 | P | 74.8 | Confident | 73.6 | Confident | 84 Ų | 84 | 69 Ų | 69 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.7 | -33.3 | -170.3 | 20.4 | -32 | 0 | 0 | 0 | 113.4 | R1256 A1257 | P1254-R1256 VanDerWaalsContact C-N 3.33Å; P1254-R1256 PolarHBondContact O-N 3.2Å; P1254-A1257 WeakPolarHBondContact O-CB 3.37Å; P1254-A1257 PolarHBondContact O-N 2.93Å |
| 1255 | N | 74 | Confident | 73.1 | Confident | 155 Ų | 155 | 74.4 Ų | 74.4 | 83% | 0.829 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.6 | -25.1 | 179.7 | -59.4 | -4 | 0 | 0 | 0 | 113.5 | L1253 | L1253-N1255 PolarHBondContact O-N 3.1Å; L1253-N1255 VanDerWaalsContact O-N 3.07Å |
| 1256 | R | 64.3 | Low | 72.5 | Confident | 122 Ų | 122 | 79.7 Ų | 79.7 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -91.4 | -12.6 | 173.8 | -81.9 | -174 | 174.9 | 169.6 | 1.2 | 112.6 | D1230 L1253 P1254 E1258 E1259 L1260 | D1230-R1256 IonicContact OD2-NH1 2.83Å; L1253-R1256 HydrophobicContact CB-CB 4.44Å; L1253-R1256 PolarHBondContact O-N 3.34Å; P1254-R1256 VanDerWaalsContact C-N 3.33Å; P1254-R1256 PolarHBondContact O-N 3.2Å; R1256-E1258 VanDerWaalsContact C-N 3.34Å; R1256-E1258 PolarHBondContact O-N 3.34Å; R1256-E1259 WeakPolarHBondContact O-CB 3.3Å; R1256-E1259 PolarHBondContact O-N 3.22Å; R1256-E1259 VanDerWaalsContact O-N 3.15Å; R1256-L1260 PolarHBondContact O-N 2.87Å |
| 1257 | A | 68.7 | Low | 71.4 | Confident | 11 Ų | 11 | 83.4 Ų | 83.4 | 9% | 0.091 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1249 E1250 L1253 P1254 K1261 | A1249-A1257 HydrophobicContact CB-CB 4.25Å; E1250-A1257 HydrophobicContact CG-CB 4.24Å; L1253-A1257 PolarHBondContact O-N 3.37Å; P1254-A1257 WeakPolarHBondContact O-CB 3.37Å; P1254-A1257 PolarHBondContact O-N 2.93Å; A1257-K1261 VanDerWaalsContact O-CG 3.31Å; A1257-K1261 WeakPolarHBondContact O-CG 3.29Å; A1257-K1261 PolarHBondContact O-N 3.12Å; A1257-K1261 VanDerWaalsContact O-N 3.08Å |
| 1258 | E | 75.1 | Confident | 70.3 | Confident | 162 Ų | 162 | 88.3 Ų | 88.3 | 76% | 0.757 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.6 | -36.2 | 174 | -75.8 | -167.3 | 155 | 0 | 0 | 112.6 | R1256 K1261 A1262 | R1256-E1258 VanDerWaalsContact C-N 3.34Å; R1256-E1258 PolarHBondContact O-N 3.34Å; E1258-K1261 PolarHBondContact O-N 3.49Å; E1258-A1262 WeakPolarHBondContact O-CB 3.48Å; E1258-A1262 PolarHBondContact O-N 3.44Å |
| 1259 | E | 71.1 | Confident | 68.9 | Low | 99 Ų | 99 | 95.2 Ų | 95.2 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67 | -38.3 | 177.6 | -131.2 | -168 | 178.8 | 0 | 0 | 112 | R1256 A1262 K1263 | R1256-E1259 WeakPolarHBondContact O-CB 3.3Å; R1256-E1259 PolarHBondContact O-N 3.22Å; R1256-E1259 VanDerWaalsContact O-N 3.15Å; E1259-A1262 PolarHBondContact O-N 2.71Å; E1259-K1263 WeakPolarHBondContact O-CB 3.26Å; E1259-K1263 WeakPolarHBondContact O-CG 3.3Å; E1259-K1263 PolarHBondContact O-N 2.69Å |
| 1260 | L | 65.2 | Low | 67.7 | Low | 21 Ų | 21 | 102.4 Ų | 102.4 | 11% | 0.11 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 172.7 | -94.5 | 136.8 | 0 | 0 | 0 | 112.1 | V1233 W1242 A1249 R1256 A1262 K1263 L1264 | V1233-L1260 HydrophobicContact CG1-CD1 3.34Å; V1233-L1260 HydrophobicContact CG1-CD2 3.9Å; V1233-L1260 HydrophobicContact CG1-CG 4.26Å; W1242-L1260 HydrophobicContact CZ3-CD2 4.44Å; A1249-L1260 HydrophobicContact CB-CD1 4.11Å; R1256-L1260 PolarHBondContact O-N 2.87Å; L1260-A1262 VanDerWaalsContact C-N 3.26Å; L1260-A1262 PolarHBondContact O-N 2.68Å; L1260-K1263 PolarHBondContact O-N 3.3Å; L1260-L1264 VanDerWaalsContact O-CB 3.27Å; L1260-L1264 WeakPolarHBondContact O-CB 3.3Å; L1260-L1264 PolarHBondContact O-N 3.31Å |
| 1261 | K | 72.8 | Confident | 66.3 | Low | 85 Ų | 85 | 101.6 Ų | 101.6 | 37% | 0.37 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 171.2 | -72.8 | 172.8 | -176.4 | 175.5 | 0 | 111.2 | E1250 A1257 E1258 R1265 | E1250-K1261 WeakPolarHBondContact OE1-CE 3.43Å; E1250-K1261 IonicContact OE1-NZ 2.69Å; E1250-K1261 PolarHBondContact OE1-NZ 3.33Å; A1257-K1261 VanDerWaalsContact O-CG 3.31Å; A1257-K1261 WeakPolarHBondContact O-CG 3.29Å; A1257-K1261 PolarHBondContact O-N 3.12Å; A1257-K1261 VanDerWaalsContact O-N 3.08Å; E1258-K1261 PolarHBondContact O-N 3.49Å; K1261-R1265 PolarHBondContact O-N 3.06Å |
| 1262 | A | 73.1 | Confident | 64.9 | Low | 44 Ų | 44 | 104.1 Ų | 104.1 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.8 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | E1258 E1259 L1260 L1264 R1265 E1266 | E1258-A1262 WeakPolarHBondContact O-CB 3.48Å; E1258-A1262 PolarHBondContact O-N 3.44Å; E1259-A1262 PolarHBondContact O-N 2.71Å; L1260-A1262 VanDerWaalsContact C-N 3.26Å; L1260-A1262 PolarHBondContact O-N 2.68Å; A1262-L1264 VanDerWaalsContact C-N 3.33Å; A1262-L1264 PolarHBondContact O-N 2.93Å; A1262-R1265 CarbonylContact O-C 3.44Å; A1262-R1265 WeakPolarHBondContact O-CA 3.42Å; A1262-R1265 VanDerWaalsContact O-CB 3.29Å; A1262-R1265 WeakPolarHBondContact O-CB 3.37Å; A1262-R1265 PolarHBondContact O-N 3.32Å; A1262-E1266 PolarHBondContact O-N 2.91Å |
| 1263 | K | 64.4 | Low | 63.2 | Low | 87 Ų | 87 | 105.3 Ų | 105.3 | 38% | 0.378 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -34.7 | 175.8 | -77.8 | 176.8 | -178.9 | 161.8 | 0 | 112.4 | E1259 L1260 R1265 E1266 E1267 | E1259-K1263 WeakPolarHBondContact O-CB 3.26Å; E1259-K1263 WeakPolarHBondContact O-CG 3.3Å; E1259-K1263 PolarHBondContact O-N 2.69Å; L1260-K1263 PolarHBondContact O-N 3.3Å; K1263-R1265 PolarHBondContact O-N 3.46Å; K1263-E1266 PolarHBondContact O-N 3.2Å; K1263-E1266 VanDerWaalsContact O-N 3.16Å; K1263-E1267 PolarHBondContact O-N 3.44Å |
| 1264 | L | 64.9 | Low | 61.6 | Low | 38 Ų | 38 | 107.4 Ų | 107.4 | 20% | 0.199 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -63.2 | -26.3 | 169.5 | -174.7 | 135.8 | 0 | 0 | 0 | 112.1 | W1242 L1260 A1262 R1268 | W1242-L1264 HydrophobicContact CB-CD1 4.15Å; W1242-L1264 HydrophobicContact CD2-CD1 3.55Å; W1242-L1264 HydrophobicContact CE3-CD1 3.36Å; W1242-L1264 HydrophobicContact CE3-CG 4.43Å; W1242-L1264 HydrophobicContact CG-CD1 3.92Å; W1242-L1264 HydrophobicContact CH2-CD1 4.45Å; W1242-L1264 HydrophobicContact CZ3-CB 4.16Å; W1242-L1264 HydrophobicContact CZ3-CD1 3.82Å; W1242-L1264 HydrophobicContact CZ3-CG 4.45Å; L1260-L1264 VanDerWaalsContact O-CB 3.27Å; L1260-L1264 WeakPolarHBondContact O-CB 3.3Å; L1260-L1264 PolarHBondContact O-N 3.31Å; A1262-L1264 VanDerWaalsContact C-N 3.33Å; A1262-L1264 PolarHBondContact O-N 2.93Å; L1264-R1268 WeakPolarHBondContact O-CB 3.23Å; L1264-R1268 WeakPolarHBondContact O-CD 3.2Å; L1264-R1268 VanDerWaalsContact O-CG 3.22Å; L1264-R1268 WeakPolarHBondContact O-CG 3.44Å |
| 1265 | R | 68.5 | Low | 59.7 | Low | 181 Ų | 181 | 107.2 Ų | 107.2 | 68% | 0.683 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -80 | -38.9 | 169.1 | -68.8 | 177.5 | -171 | 153.1 | 3 | 112.5 | K1261 A1262 K1263 R1268 M1269 | K1261-R1265 PolarHBondContact O-N 3.06Å; A1262-R1265 CarbonylContact O-C 3.44Å; A1262-R1265 WeakPolarHBondContact O-CA 3.42Å; A1262-R1265 VanDerWaalsContact O-CB 3.29Å; A1262-R1265 WeakPolarHBondContact O-CB 3.37Å; A1262-R1265 PolarHBondContact O-N 3.32Å; K1263-R1265 PolarHBondContact O-N 3.46Å; R1265-R1268 CarbonylContact O-C 3.53Å; R1265-R1268 WeakPolarHBondContact O-CB 3.39Å; R1265-R1268 PolarHBondContact O-N 3.21Å; R1265-M1269 PolarHBondContact O-N 3.32Å; R1265-M1269 VanDerWaalsContact O-N 3.1Å |
| 1266 | E | 62.3 | Low | 57.9 | Low | 112 Ų | 112 | 108.3 Ų | 108.3 | 52% | 0.523 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.4 | -42 | 178.6 | -82.4 | -173.7 | 152 | 0 | 0 | 113.3 | A1262 K1263 R1268 M1269 H1270 | A1262-E1266 PolarHBondContact O-N 2.91Å; K1263-E1266 PolarHBondContact O-N 3.2Å; K1263-E1266 VanDerWaalsContact O-N 3.16Å; E1266-R1268 PolarHBondContact O-N 3.44Å; E1266-M1269 CarbonylContact O-C 3.53Å; E1266-M1269 WeakPolarHBondContact O-CA 3.21Å; E1266-M1269 PolarHBondContact O-N 3.37Å; E1266-H1270 PolarHBondContact O-N 3.1Å; E1266-H1270 PolarHBondContact O-ND1 3.39Å |
| 1267 | E | 56.2 | Low | 56.4 | Low | 125 Ų | 125 | 112.6 Ų | 112.6 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.5 | -32.7 | 172.4 | -98.4 | -170 | 159.8 | 0 | 0 | 111.1 | W1242 K1263 M1269 | W1242-E1267 WeakPolarHBondContact CH2-OE2 3.49Å; W1242-E1267 WeakPolarHBondContact CZ2-OE2 3.34Å; K1263-E1267 PolarHBondContact O-N 3.44Å; E1267-M1269 VanDerWaalsContact C-N 3.27Å; E1267-M1269 PolarHBondContact O-N 3Å |
| 1268 | R | 61.9 | Low | 54.6 | Low | 191 Ų | 191 | 119.9 Ų | 119.9 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.8 | -19.9 | 170.3 | -76.3 | 179.6 | 176.8 | -166.4 | 0.6 | 113.3 | L1264 R1265 E1266 | L1264-R1268 WeakPolarHBondContact O-CB 3.23Å; L1264-R1268 WeakPolarHBondContact O-CD 3.2Å; L1264-R1268 VanDerWaalsContact O-CG 3.22Å; L1264-R1268 WeakPolarHBondContact O-CG 3.44Å; R1265-R1268 CarbonylContact O-C 3.53Å; R1265-R1268 WeakPolarHBondContact O-CB 3.39Å; R1265-R1268 PolarHBondContact O-N 3.21Å; E1266-R1268 PolarHBondContact O-N 3.44Å |
| 1269 | M | 49.4 | Very low | 52.7 | Low | 145 Ų | 145 | 117.7 Ų | 117.7 | 71% | 0.714 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -100.4 | -32.7 | 178.7 | -76 | -159 | 75.2 | 0 | 0 | 114.9 | R1265 E1266 E1267 A1271 | R1265-M1269 PolarHBondContact O-N 3.32Å; R1265-M1269 VanDerWaalsContact O-N 3.1Å; E1266-M1269 CarbonylContact O-C 3.53Å; E1266-M1269 WeakPolarHBondContact O-CA 3.21Å; E1266-M1269 PolarHBondContact O-N 3.37Å; E1267-M1269 VanDerWaalsContact C-N 3.27Å; E1267-M1269 PolarHBondContact O-N 3Å; M1269-A1271 PolarHBondContact O-N 3.13Å |
| 1270 | H | 49.9 | Very low | 50.8 | Low | 151 Ų | 151 | 120.5 Ų | 120.5 | 70% | 0.699 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.8 | -8.2 | -178.2 | -85.1 | 60.1 | 0 | 0 | 0 | 113.8 | E1266 I1272 | E1266-H1270 PolarHBondContact O-N 3.1Å; E1266-H1270 PolarHBondContact O-ND1 3.39Å; H1270-I1272 PolarHBondContact O-N 3.42Å |
| 1271 | A | 50.5 | Low | 49 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 72% | 0.719 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 3.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1269 | M1269-A1271 PolarHBondContact O-N 3.13Š|
| 1272 | I | 50 | Low | 46.9 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -16.5 | -164.7 | -60.2 | 178.4 | 0 | 0 | 0 | 116 | H1270 | H1270-I1272 PolarHBondContact O-N 3.42Š|
| 1273 | T | 39.8 | Very low | 44.8 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 71% | 0.708 | S | S | * | * | trans | -149 | 119.3 | -175.4 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1274 | G | 36.5 | Very low | 43.2 | Very low | 87 Ų | 87 | 139.8 Ų | 139.8 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | trans | -130.6 | 158.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1275 | G | 36 | Very low | 41.5 | Very low | 79 Ų | 79 | 143.3 Ų | 143.3 | 81% | 0.814 | 75% | 0.747 | S | S | * | * | trans | 105.8 | 116.6 | 144.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1276 | Q | 35.9 | Very low | 39.7 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | 113.5 | 116.2 | 141.3 | -65.9 | -170 | -3.9 | 0 | 0 | 122.9 | ||||
| 1277 | R | 31.8 | Very low | 38.2 | Very low | 213 Ų | 213 | 141.7 Ų | 141.7 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 76.5 | 111.8 | 134.3 | -68.8 | -176.2 | 174.1 | -174.8 | -0.5 | 124.6 | ||||
| 1278 | L | 32.3 | Very low | 36.9 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | 38.6 | 118.6 | 126.6 | -68.2 | 148.1 | 0 | 0 | 0 | 121.9 | |||||
| 1279 | S | 35.2 | Very low | 35.4 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | 155.4 | 137.3 | 128.1 | 58.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 1280 | N | 30.3 | Very low | 34.3 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | trans | 14.7 | 145.3 | 154.5 | -76.6 | -19.8 | 0 | 0 | 0 | 123.3 | ||||
| 1281 | R | 28.1 | Very low | 33.2 | Very low | 217 Ų | 217 | 139.3 Ų | 139.3 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | trans | 104.6 | 120.9 | 150.4 | -78.8 | -179.7 | 171.6 | 174.9 | -0.6 | 118.9 | ||||
| 1282 | K | 28.8 | Very low | 32.2 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 70% | 0.7 | 76% | 0.76 | S | S | * | * | 64 | 126.9 | 124.4 | -70 | -175.9 | 172.5 | -171.6 | 0 | 120.1 | |||||
| 1283 | Q | 28 | Very low | 31.2 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | 35.3 | 126.8 | 122.9 | -70.8 | 174.4 | -27.7 | 0 | 0 | 118.9 | |||||
| 1284 | S | 30.4 | Very low | 30.7 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 57.8 | 119.4 | 132.7 | 69.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1285 | T | 30 | Very low | 30.2 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | trans | -158.6 | 136.6 | 158.4 | 48.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1286 | D | 30.5 | Very low | 29.9 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | cis | -151.5 | 129 | 34.4 | -86.1 | -52.4 | 0 | 0 | 0 | 109.8 | ||||
| 1287 | H | 31.1 | Very low | 29.6 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 58% | 0.579 | 73% | 0.73 | S | S | * | * | 81.1 | 112.2 | 66.9 | -81.3 | -15.3 | 0 | 0 | 0 | 115.3 | |||||
| 1288 | R | 28.3 | Very low | 29.6 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | 87 | 116 | 121.6 | -73.9 | 176.6 | 173.7 | 177.5 | 0.6 | 119.2 | |||||
| 1289 | K | 29.8 | Very low | 29.6 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | 90 | 115.7 | 116.3 | -74.9 | -179 | 179.7 | -171.7 | 0 | 119.2 | |||||
| 1290 | T | 26.7 | Very low | 29.5 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | 71.2 | 128.2 | 126.4 | 55.3 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1291 | S | 28.2 | Very low | 29.7 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | 81.8 | 101.4 | 130.6 | 63.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1292 | V | 28.1 | Very low | 30.2 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | 66.5 | 134.6 | 105.2 | 170.6 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1293 | S | 29.6 | Very low | 31.1 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | trans | 84.8 | 135.4 | 152.6 | 81.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1294 | T | 28.3 | Very low | 32.5 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 71% | 0.712 | 68% | 0.682 | S | S | * | * | cis | -177.9 | 161.3 | -7.5 | 2.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 1295 | M | 27.8 | Very low | 34.2 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 73% | 0.729 | 68% | 0.681 | S | S | * | * | trans | 73.3 | 109.8 | 141.2 | -68 | -79.8 | -154.3 | 0 | 0 | 117.3 | ||||
| 1296 | N | 29.2 | Very low | 36.3 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 59% | 0.594 | 66% | 0.664 | S | S | * | * | 111.1 | 119.1 | 109.5 | -84.2 | 5.7 | 0 | 0 | 0 | 117.2 | |||||
| 1297 | E | 29.5 | Very low | 38.5 | Very low | 151 Ų | 151 | 120 Ų | 120 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | 101.9 | 121.4 | 121.3 | -83 | 166.5 | -153.6 | 0 | 0 | 116.3 | |||||
| 1298 | L | 32.3 | Very low | 40.5 | Very low | 142 Ų | 142 | 117.8 Ų | 117.8 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | trans | 104.5 | 77.7 | 145.3 | -59.3 | 141.6 | 0 | 0 | 0 | 114.8 | ||||
| 1299 | T | 30.8 | Very low | 43 | Very low | 108 Ų | 108 | 112.6 Ų | 112.6 | 66% | 0.663 | 62% | 0.618 | S | S | * | * | 68.6 | 121.3 | 82.6 | 66.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1300 | N | 34 | Very low | 45.4 | Very low | 157 Ų | 157 | 105 Ų | 105 | 84% | 0.84 | 59% | 0.585 | S | S | * | * | trans | 67.3 | 80.8 | 141.7 | -61.2 | -17.7 | 0 | 0 | 0 | 118.3 | ||||
| 1301 | S | 33.9 | Very low | 48 | Very low | 111 Ų | 111 | 105 Ų | 105 | 78% | 0.776 | 58% | 0.575 | S | S | * | * | -174.9 | 165.7 | 125 | 67.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1302 | I | 38.2 | Very low | 50.6 | Low | 157 Ų | 157 | 104.3 Ų | 104.3 | 81% | 0.805 | 56% | 0.563 | S | S | * | * | trans | 86.2 | 66.8 | -176.9 | -41.2 | 159 | 0 | 0 | 0 | 112.7 | N1304 | I1302-N1304 PolarHBondContact O-N 3.37Š| ||
| 1303 | T | 48.1 | Very low | 53.5 | Low | 100 Ų | 100 | 100.6 Ų | 100.6 | 61% | 0.613 | 54% | 0.535 | S | S | * | . | trans | -29 | 115.7 | 152.4 | 44.5 | 0 | 0 | 0 | 0 | 112.6 | N1305 L1308 | T1303-N1305 PolarHBondContact O-N 2.86Å; T1303-L1308 VanDerWaalsContact CB-CD1 3.46Å; T1303-L1308 HydrophobicContact CG2-CD1 3.55Å | ||
| 1304 | N | 58.1 | Low | 56.1 | Low | 30 Ų | 30 | 98.8 Ų | 98.8 | 16% | 0.16 | 52% | 0.516 | C | S | . | . | trans | -56.9 | 111 | 177.9 | -135.3 | -18.9 | 0 | 0 | 0 | 108.8 | I1302 Y1306 F1307 L1308 N1334 | I1302-N1304 PolarHBondContact O-N 3.37Å; N1304-Y1306 PolarHBondContact O-N 2.93Å; N1304-F1307 HydrophobicContact CB-CB 4.24Å; N1304-F1307 PolarHBondContact O-N 3.04Å; N1304-L1308 PolarHBondContact O-N 3.24Å; N1304-L1308 VanDerWaalsContact O-N 3.12Å; N1304-N1334 PolarHBondContact OD1-ND2 3.2Å | ||
| 1305 | N | 65.5 | Low | 58.6 | Low | 128 Ų | 128 | 97.3 Ų | 97.3 | 68% | 0.684 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -52.3 | -35.9 | -172.1 | -113 | -31.1 | 0 | 0 | 0 | 111.7 | T1303 Q1309 | T1303-N1305 PolarHBondContact O-N 2.86Å; N1305-Q1309 WeakPolarHBondContact O-CB 3.27Å; N1305-Q1309 PolarHBondContact O-N 3.41Å |
| 1306 | Y | 73.7 | Confident | 61.3 | Low | 86 Ų | 86 | 95.5 Ų | 95.5 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.5 | -36.3 | 177.4 | -65.2 | -64.7 | 0 | 0 | 0 | 114.4 | N1304 A1310 K1328 | N1304-Y1306 PolarHBondContact O-N 2.93Å; Y1306-A1310 WeakPolarHBondContact O-CB 3.42Å; Y1306-A1310 PolarHBondContact O-N 3.05Å; Y1306-K1328 HydrophobicContact CD1-CB 4.14Å; Y1306-K1328 HydrophobicContact CD1-CD 3.99Å; Y1306-K1328 HydrophobicContact CE1-CB 4.37Å; Y1306-K1328 HydrophobicContact CE1-CD 3.78Å; Y1306-K1328 HydrophobicContact CG-CB 4.39Å |
| 1307 | F | 76.6 | Confident | 63.7 | Low | 62 Ų | 62 | 92.1 Ų | 92.1 | 27% | 0.272 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72 | -39.2 | 177.9 | -165 | -88.8 | 0 | 0 | 0 | 110.8 | N1304 A1310 K1311 Y1326 I1329 | N1304-F1307 HydrophobicContact CB-CB 4.24Å; N1304-F1307 PolarHBondContact O-N 3.04Å; F1307-A1310 PolarHBondContact O-N 3.29Å; F1307-K1311 HydrophobicContact CE1-CD 4.06Å; F1307-K1311 HydrophobicContact CE1-CG 4.34Å; F1307-K1311 PolarHBondContact O-N 2.77Å; F1307-Y1326 HydrophobicContact CD2-CD1 4.47Å; F1307-Y1326 HydrophobicContact CD2-CE1 4.08Å; F1307-Y1326 HydrophobicContact CE2-CD1 4.49Å; F1307-Y1326 AromaticContact CE2-CE1 3.87Å; F1307-Y1326 HydrophobicContact CE2-CE1 3.87Å; F1307-Y1326 HydrophobicContact CZ-CE1 4.44Å; F1307-I1329 HydrophobicContact CB-CD1 4.43Å; F1307-I1329 HydrophobicContact CD2-CD1 3.93Å |
| 1308 | L | 74.3 | Confident | 66.3 | Low | 78 Ų | 78 | 88.4 Ų | 88.4 | 41% | 0.408 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 176.7 | -143.2 | 136.8 | 0 | 0 | 0 | 111.3 | T1303 N1304 K1311 N1312 | T1303-L1308 VanDerWaalsContact CB-CD1 3.46Å; T1303-L1308 HydrophobicContact CG2-CD1 3.55Å; N1304-L1308 PolarHBondContact O-N 3.24Å; N1304-L1308 VanDerWaalsContact O-N 3.12Å; L1308-K1311 PolarHBondContact O-N 3.17Å; L1308-N1312 WeakPolarHBondContact O-CB 3.49Å; L1308-N1312 PolarHBondContact O-N 3.19Å |
| 1309 | Q | 79.6 | Confident | 69 | Low | 70 Ų | 70 | 85.1 Ų | 85.1 | 33% | 0.327 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 172.4 | -175.3 | 175.1 | 33.9 | 0 | 0 | 111.9 | N1305 N1312 Y1313 | N1305-Q1309 WeakPolarHBondContact O-CB 3.27Å; N1305-Q1309 PolarHBondContact O-N 3.41Å; Q1309-N1312 PolarHBondContact O-N 2.97Å; Q1309-Y1313 HydrophobicContact CG-CD2 3.82Å; Q1309-Y1313 HydrophobicContact CG-CE2 3.29Å; Q1309-Y1313 PolarHBondContact NE2-OH 3.03Å; Q1309-Y1313 WeakPolarHBondContact O-CD2 3.46Å; Q1309-Y1313 PolarHBondContact O-N 3.39Å |
| 1310 | A | 81.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y1306 F1307 N1312 Y1313 E1314 Y1326 | Y1306-A1310 WeakPolarHBondContact O-CB 3.42Å; Y1306-A1310 PolarHBondContact O-N 3.05Å; F1307-A1310 PolarHBondContact O-N 3.29Å; A1310-N1312 PolarHBondContact O-N 2.61Å; A1310-Y1313 PolarHBondContact O-N 3.08Å; A1310-E1314 WeakPolarHBondContact O-CB 3.47Å; A1310-E1314 PolarHBondContact O-N 3.33Å; A1310-Y1326 HydrophobicContact CB-CD1 3.88Å; A1310-Y1326 HydrophobicContact CB-CD2 3.85Å; A1310-Y1326 HydrophobicContact CB-CE1 3.78Å; A1310-Y1326 HydrophobicContact CB-CE2 3.73Å; A1310-Y1326 HydrophobicContact CB-CG 3.91Å |
| 1311 | K | 81.1 | Confident | 74.2 | Confident | 121 Ų | 121 | 82.5 Ų | 82.5 | 53% | 0.526 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 174 | -84.4 | -163.9 | 169 | -174.2 | 0 | 113.1 | F1307 L1308 E1314 S1315 | F1307-K1311 HydrophobicContact CE1-CD 4.06Å; F1307-K1311 HydrophobicContact CE1-CG 4.34Å; F1307-K1311 PolarHBondContact O-N 2.77Å; L1308-K1311 PolarHBondContact O-N 3.17Å; K1311-E1314 PolarHBondContact O-N 3.36Å; K1311-S1315 PolarHBondContact O-N 3.42Å; K1311-S1315 PolarHBondContact O-OG 2.9Å |
| 1312 | N | 82.3 | Confident | 76.7 | Confident | 86 Ų | 86 | 77.2 Ų | 77.2 | 46% | 0.46 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 174.5 | -87.9 | -16.8 | 0 | 0 | 0 | 112.3 | L1308 Q1309 A1310 E1314 S1315 N1316 | L1308-N1312 WeakPolarHBondContact O-CB 3.49Å; L1308-N1312 PolarHBondContact O-N 3.19Å; Q1309-N1312 PolarHBondContact O-N 2.97Å; A1310-N1312 PolarHBondContact O-N 2.61Å; N1312-E1314 VanDerWaalsContact C-N 3.34Å; N1312-S1315 WeakPolarHBondContact CA-OG 3.35Å; N1312-S1315 PolarHBondContact O-N 2.65Å; N1312-S1315 PolarHBondContact O-OG 3.44Å; N1312-N1316 WeakPolarHBondContact O-CB 3.46Å; N1312-N1316 PolarHBondContact O-N 3.04Å; N1312-N1316 PolarHBondContact O-ND2 2.9Å; N1312-N1316 PolarHBondContact O-OD1 3.26Å |
| 1313 | Y | 88.3 | Confident | 79 | Confident | 52 Ų | 52 | 70 Ų | 70 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67 | -37.4 | 174.4 | -69.6 | -46.2 | 0 | 0 | 0 | 112 | Q1309 A1310 N1316 G1317 E1318 R1321 S1325 | Q1309-Y1313 HydrophobicContact CG-CD2 3.82Å; Q1309-Y1313 HydrophobicContact CG-CE2 3.29Å; Q1309-Y1313 PolarHBondContact NE2-OH 3.03Å; Q1309-Y1313 WeakPolarHBondContact O-CD2 3.46Å; Q1309-Y1313 PolarHBondContact O-N 3.39Å; A1310-Y1313 PolarHBondContact O-N 3.08Å; Y1313-N1316 PolarHBondContact O-N 2.96Å; Y1313-G1317 PolarHBondContact O-N 2.8Å; Y1313-E1318 HydrophobicContact CD1-CB 4.26Å; Y1313-E1318 WeakPolarHBondContact CD1-OE2 3.29Å; Y1313-E1318 WeakPolarHBondContact CE1-OE2 3.3Å; Y1313-E1318 PolarHBondContact O-N 2.8Å; Y1313-R1321 HydrophobicContact CD1-CB 3.93Å; Y1313-R1321 HydrophobicContact CD2-CB 3.64Å; Y1313-R1321 WeakPolarHBondContact CD2-O 3.43Å; Y1313-R1321 HydrophobicContact CE1-CB 4.22Å; Y1313-R1321 HydrophobicContact CE2-CB 3.9Å; Y1313-R1321 HydrophobicContact CG-CB 3.65Å; Y1313-S1325 WeakPolarHBondContact CD2-OG 3.48Å; Y1313-S1325 WeakPolarHBondContact CE2-OG 3.18Å |
| 1314 | E | 85.2 | Confident | 80.9 | Confident | 60 Ų | 60 | 69.8 Ų | 69.8 | 28% | 0.28 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.2 | -170.6 | 176.5 | 171.4 | 0 | 0 | 111.5 | A1310 K1311 N1312 N1316 G1317 A1322 Y1326 H1348 L1352 | A1310-E1314 WeakPolarHBondContact O-CB 3.47Å; A1310-E1314 PolarHBondContact O-N 3.33Å; K1311-E1314 PolarHBondContact O-N 3.36Å; N1312-E1314 VanDerWaalsContact C-N 3.34Å; E1314-N1316 VanDerWaalsContact C-N 3.31Å; E1314-N1316 PolarHBondContact O-N 3.39Å; E1314-G1317 PolarHBondContact O-N 2.93Å; E1314-A1322 HydrophobicContact CB-CB 4.21Å; E1314-Y1326 PolarHBondContact OE2-OH 3.37Å; E1314-H1348 IonicContact OE1-CE1 3.59Å; E1314-H1348 IonicContact OE2-CE1 3.44Å; E1314-H1348 PolarHBondContact OE2-CE1 3.08Å; E1314-L1352 HydrophobicContact CG-CD2 4.27Å |
| 1315 | S | 81.4 | Confident | 82.1 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.1 | -26.3 | 175.4 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | K1311 N1312 G1317 | K1311-S1315 PolarHBondContact O-N 3.42Å; K1311-S1315 PolarHBondContact O-OG 2.9Å; N1312-S1315 WeakPolarHBondContact CA-OG 3.35Å; N1312-S1315 PolarHBondContact O-N 2.65Å; N1312-S1315 PolarHBondContact O-OG 3.44Å; S1315-G1317 VanDerWaalsContact C-N 3.35Å |
| 1316 | N | 83.3 | Confident | 83.1 | Confident | 111 Ų | 111 | 62.5 Ų | 62.5 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0.2 | 179.2 | -67.7 | -9.1 | 0 | 0 | 0 | 113.4 | N1312 Y1313 E1314 E1318 | N1312-N1316 WeakPolarHBondContact O-CB 3.46Å; N1312-N1316 PolarHBondContact O-N 3.04Å; N1312-N1316 PolarHBondContact O-ND2 2.9Å; N1312-N1316 PolarHBondContact O-OD1 3.26Å; Y1313-N1316 PolarHBondContact O-N 2.96Å; E1314-N1316 VanDerWaalsContact C-N 3.31Å; E1314-N1316 PolarHBondContact O-N 3.39Å; N1316-E1318 VanDerWaalsContact C-N 3.27Å; N1316-E1318 HydrophobicContact CB-CG 4.44Å; N1316-E1318 PolarHBondContact O-N 3.48Å |
| 1317 | G | 80.4 | Confident | 83.7 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 9.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1313 E1314 S1315 Y1319 | Y1313-G1317 PolarHBondContact O-N 2.8Å; E1314-G1317 PolarHBondContact O-N 2.93Å; S1315-G1317 VanDerWaalsContact C-N 3.35Å; G1317-Y1319 VanDerWaalsContact C-N 3.34Å; G1317-Y1319 WeakPolarHBondContact O-CD2 3.36Å; G1317-Y1319 PolarHBondContact O-N 3.44Å |
| 1318 | E | 84.8 | Confident | 83.9 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 34% | 0.341 | 31% | 0.306 | S | S | . | . | trans | -89.4 | 63.9 | 179 | -62.9 | -173.6 | 173.2 | 0 | 0 | 111 | Y1313 N1316 L1320 R1321 A1322 | Y1313-E1318 HydrophobicContact CD1-CB 4.26Å; Y1313-E1318 WeakPolarHBondContact CD1-OE2 3.29Å; Y1313-E1318 WeakPolarHBondContact CE1-OE2 3.3Å; Y1313-E1318 PolarHBondContact O-N 2.8Å; N1316-E1318 VanDerWaalsContact C-N 3.27Å; N1316-E1318 HydrophobicContact CB-CG 4.44Å; N1316-E1318 PolarHBondContact O-N 3.48Å; E1318-L1320 VanDerWaalsContact C-N 3.3Å; E1318-L1320 PolarHBondContact O-N 3.32Å; E1318-R1321 HydrophobicContact CB-CB 4.32Å; E1318-R1321 VanDerWaalsContact CD-NH1 3.32Å; E1318-R1321 PolarHBondContact O-N 3.37Å; E1318-R1321 VanDerWaalsContact O-N 3.11Å; E1318-R1321 IonicContact OE1-NH1 2.8Å; E1318-R1321 PolarHBondContact OE1-NH1 3.5Å; E1318-R1321 WeakPolarHBondContact OE2-CD 3.45Å; E1318-R1321 IonicContact OE2-CZ 3.51Å; E1318-R1321 IonicContact OE2-NE 2.84Å; E1318-R1321 IonicContact OE2-NH1 3.2Å; E1318-R1321 PolarHBondContact OE2-NH1 3.29Å; E1318-A1322 PolarHBondContact O-N 2.99Å | ||
| 1319 | Y | 88.5 | Confident | 84.1 | Confident | 74 Ų | 74 | 57.8 Ų | 57.8 | 29% | 0.29 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.9 | -34.3 | -170.9 | -58 | -67.5 | 0 | 0 | 0 | 114.9 | G1317 A1322 V1323 L1352 F1356 | G1317-Y1319 VanDerWaalsContact C-N 3.34Å; G1317-Y1319 WeakPolarHBondContact O-CD2 3.36Å; G1317-Y1319 PolarHBondContact O-N 3.44Å; Y1319-A1322 WeakPolarHBondContact O-CB 3.39Å; Y1319-A1322 PolarHBondContact O-N 2.85Å; Y1319-V1323 WeakPolarHBondContact O-CG2 3.4Å; Y1319-V1323 PolarHBondContact O-N 3.36Å; Y1319-L1352 HydrophobicContact CD1-CD2 4.09Å; Y1319-F1356 HydrophobicContact CD1-CB 4.01Å; Y1319-F1356 HydrophobicContact CD1-CD1 4.31Å; Y1319-F1356 AromaticContact CD1-CD2 3.48Å; Y1319-F1356 HydrophobicContact CD1-CD2 3.48Å; Y1319-F1356 VanDerWaalsContact CD1-CD2 3.48Å; Y1319-F1356 AromaticContact CD1-CE2 3.96Å; Y1319-F1356 HydrophobicContact CD1-CE2 3.96Å; Y1319-F1356 AromaticContact CD1-CG 3.68Å; Y1319-F1356 HydrophobicContact CD1-CG 3.68Å; Y1319-F1356 HydrophobicContact CD2-CB 3.48Å; Y1319-F1356 VanDerWaalsContact CD2-CB 3.48Å; Y1319-F1356 AromaticContact CD2-CD1 3.87Å; Y1319-F1356 HydrophobicContact CD2-CD1 3.87Å; Y1319-F1356 HydrophobicContact CD2-CD2 4.33Å; Y1319-F1356 AromaticContact CD2-CG 3.65Å; Y1319-F1356 HydrophobicContact CD2-CG 3.65Å; Y1319-F1356 AromaticContact CE1-CD1 3.99Å; Y1319-F1356 HydrophobicContact CE1-CD1 3.99Å; Y1319-F1356 AromaticContact CE1-CD2 3.59Å; Y1319-F1356 HydrophobicContact CE1-CD2 3.59Å; Y1319-F1356 HydrophobicContact CE1-CE1 4.01Å; Y1319-F1356 AromaticContact CE1-CE2 3.61Å; Y1319-F1356 HydrophobicContact CE1-CE2 3.61Å; Y1319-F1356 AromaticContact CE1-CG 3.79Å; Y1319-F1356 HydrophobicContact CE1-CG 3.79Å; Y1319-F1356 AromaticContact CE1-CZ 3.82Å; Y1319-F1356 HydrophobicContact CE1-CZ 3.82Å; Y1319-F1356 HydrophobicContact CE2-CB 4.05Å; Y1319-F1356 AromaticContact CE2-CD1 3.49Å; Y1319-F1356 HydrophobicContact CE2-CD1 3.49Å; Y1319-F1356 VanDerWaalsContact CE2-CD1 3.49Å; Y1319-F1356 HydrophobicContact CE2-CD2 4.4Å; Y1319-F1356 AromaticContact CE2-CE1 3.97Å; Y1319-F1356 HydrophobicContact CE2-CE1 3.97Å; Y1319-F1356 AromaticContact CE2-CG 3.74Å; Y1319-F1356 HydrophobicContact CE2-CG 3.74Å; Y1319-F1356 HydrophobicContact CG-CB 3.43Å; Y1319-F1356 VanDerWaalsContact CG-CB 3.43Å; Y1319-F1356 HydrophobicContact CG-CD1 4.25Å; Y1319-F1356 AromaticContact CG-CD2 3.87Å; Y1319-F1356 HydrophobicContact CG-CD2 3.87Å; Y1319-F1356 AromaticContact CG-CG 3.6Å; Y1319-F1356 HydrophobicContact CG-CG 3.6Å; Y1319-F1356 AromaticContact CZ-CD1 3.56Å; Y1319-F1356 AromaticContact CZ-CE1 3.58Å; Y1319-F1356 AromaticContact CZ-CG 3.8Å; Y1319-F1356 AromaticContact CZ-CZ 3.84Å |
| 1320 | L | 86.8 | Confident | 83.8 | Confident | 89 Ų | 89 | 56 Ų | 56 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 177.4 | -171.2 | 143.5 | 0 | 0 | 0 | 111.5 | E1318 A1322 V1323 E1324 L1357 | E1318-L1320 VanDerWaalsContact C-N 3.3Å; E1318-L1320 PolarHBondContact O-N 3.32Å; L1320-A1322 VanDerWaalsContact C-N 3.34Å; L1320-V1323 PolarHBondContact O-N 2.96Å; L1320-E1324 HydrophobicContact CD2-CG 4.39Å; L1320-E1324 WeakPolarHBondContact CD2-OE1 3.26Å; L1320-E1324 WeakPolarHBondContact O-CG 3.47Å; L1320-E1324 PolarHBondContact O-N 3.23Å; L1320-L1357 HydrophobicContact CB-CD2 3.73Å; L1320-L1357 HydrophobicContact CD1-CD2 4.15Å; L1320-L1357 HydrophobicContact CG-CD2 4.21Å |
| 1321 | R | 85.9 | Confident | 83.1 | Confident | 121 Ų | 121 | 59.4 Ų | 59.4 | 46% | 0.457 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.4 | -32.3 | 176.7 | -73.1 | 172.4 | 171.3 | 179.9 | 2.9 | 112.2 | Y1313 E1318 S1325 | Y1313-R1321 HydrophobicContact CD1-CB 3.93Å; Y1313-R1321 HydrophobicContact CD2-CB 3.64Å; Y1313-R1321 WeakPolarHBondContact CD2-O 3.43Å; Y1313-R1321 HydrophobicContact CE1-CB 4.22Å; Y1313-R1321 HydrophobicContact CE2-CB 3.9Å; Y1313-R1321 HydrophobicContact CG-CB 3.65Å; E1318-R1321 HydrophobicContact CB-CB 4.32Å; E1318-R1321 VanDerWaalsContact CD-NH1 3.32Å; E1318-R1321 PolarHBondContact O-N 3.37Å; E1318-R1321 VanDerWaalsContact O-N 3.11Å; E1318-R1321 IonicContact OE1-NH1 2.8Å; E1318-R1321 PolarHBondContact OE1-NH1 3.5Å; E1318-R1321 WeakPolarHBondContact OE2-CD 3.45Å; E1318-R1321 IonicContact OE2-CZ 3.51Å; E1318-R1321 IonicContact OE2-NE 2.84Å; E1318-R1321 IonicContact OE2-NH1 3.2Å; E1318-R1321 PolarHBondContact OE2-NH1 3.29Å; R1321-S1325 VanDerWaalsContact O-CB 3.31Å; R1321-S1325 WeakPolarHBondContact O-CB 3.14Å; R1321-S1325 PolarHBondContact O-N 3.45Å; R1321-S1325 PolarHBondContact O-OG 2.86Å |
| 1322 | A | 87.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | E1314 E1318 Y1319 L1320 E1324 S1325 Y1326 | E1314-A1322 HydrophobicContact CB-CB 4.21Å; E1318-A1322 PolarHBondContact O-N 2.99Å; Y1319-A1322 WeakPolarHBondContact O-CB 3.39Å; Y1319-A1322 PolarHBondContact O-N 2.85Å; L1320-A1322 VanDerWaalsContact C-N 3.34Å; A1322-E1324 PolarHBondContact O-N 2.93Å; A1322-S1325 PolarHBondContact O-N 3.42Å; A1322-S1325 VanDerWaalsContact O-N 3.13Å; A1322-Y1326 HydrophobicContact CB-CE2 4.49Å; A1322-Y1326 WeakPolarHBondContact O-CD2 3.21Å; A1322-Y1326 PolarHBondContact O-N 3.45Å |
| 1323 | V | 86.9 | Confident | 81.4 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | Y1319 L1320 S1325 Y1326 L1327 A1349 L1352 A1353 L1357 V1365 | Y1319-V1323 WeakPolarHBondContact O-CG2 3.4Å; Y1319-V1323 PolarHBondContact O-N 3.36Å; L1320-V1323 PolarHBondContact O-N 2.96Å; V1323-S1325 VanDerWaalsContact C-N 3.27Å; V1323-S1325 PolarHBondContact O-N 3.32Å; V1323-Y1326 PolarHBondContact O-N 3.29Å; V1323-L1327 HydrophobicContact CG1-CD1 3.93Å; V1323-L1327 HydrophobicContact CG1-CG 4.39Å; V1323-L1327 WeakPolarHBondContact O-CB 3.2Å; V1323-L1327 VanDerWaalsContact O-CG 3.3Å; V1323-L1327 WeakPolarHBondContact O-CG 3.31Å; V1323-L1327 PolarHBondContact O-N 2.85Å; V1323-A1349 HydrophobicContact CG1-CB 4.4Å; V1323-L1352 HydrophobicContact CG2-CB 3.69Å; V1323-A1353 HydrophobicContact CG2-CB 4.29Å; V1323-L1357 HydrophobicContact CB-CD1 4.23Å; V1323-L1357 HydrophobicContact CG1-CD1 4.25Å; V1323-L1357 HydrophobicContact CG2-CD1 3.98Å; V1323-V1365 HydrophobicContact CG1-CG1 4.02Å; V1323-V1365 HydrophobicContact CG1-CG2 3.88Å |
| 1324 | E | 86.4 | Confident | 79.9 | Confident | 97 Ų | 97 | 60.8 Ų | 60.8 | 45% | 0.453 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.2 | -37.7 | 175 | -74.4 | 178.3 | 170.3 | 0 | 0 | 112.5 | L1320 A1322 L1327 K1328 | L1320-E1324 HydrophobicContact CD2-CG 4.39Å; L1320-E1324 WeakPolarHBondContact CD2-OE1 3.26Å; L1320-E1324 WeakPolarHBondContact O-CG 3.47Å; L1320-E1324 PolarHBondContact O-N 3.23Å; A1322-E1324 PolarHBondContact O-N 2.93Å; E1324-L1327 PolarHBondContact O-N 2.96Å; E1324-K1328 VanDerWaalsContact O-CG 3.32Å; E1324-K1328 WeakPolarHBondContact O-CG 3.24Å; E1324-K1328 PolarHBondContact O-N 3.41Å; E1324-K1328 VanDerWaalsContact O-N 3.13Å |
| 1325 | S | 84.4 | Confident | 78.5 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -73.2 | -39 | 179.3 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | Y1313 R1321 A1322 V1323 K1328 | Y1313-S1325 WeakPolarHBondContact CD2-OG 3.48Å; Y1313-S1325 WeakPolarHBondContact CE2-OG 3.18Å; R1321-S1325 VanDerWaalsContact O-CB 3.31Å; R1321-S1325 WeakPolarHBondContact O-CB 3.14Å; R1321-S1325 PolarHBondContact O-N 3.45Å; R1321-S1325 PolarHBondContact O-OG 2.86Å; A1322-S1325 PolarHBondContact O-N 3.42Å; A1322-S1325 VanDerWaalsContact O-N 3.13Å; V1323-S1325 VanDerWaalsContact C-N 3.27Å; V1323-S1325 PolarHBondContact O-N 3.32Å; S1325-K1328 PolarHBondContact O-N 2.9Å |
| 1326 | Y | 86.8 | Confident | 77.4 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 171.3 | -74.8 | -63.2 | 0 | 0 | 0 | 111.8 | F1307 A1310 E1314 A1322 V1323 K1328 I1329 A1345 H1348 L1352 | F1307-Y1326 HydrophobicContact CD2-CD1 4.47Å; F1307-Y1326 HydrophobicContact CD2-CE1 4.08Å; F1307-Y1326 HydrophobicContact CE2-CD1 4.49Å; F1307-Y1326 AromaticContact CE2-CE1 3.87Å; F1307-Y1326 HydrophobicContact CE2-CE1 3.87Å; F1307-Y1326 HydrophobicContact CZ-CE1 4.44Å; A1310-Y1326 HydrophobicContact CB-CD1 3.88Å; A1310-Y1326 HydrophobicContact CB-CD2 3.85Å; A1310-Y1326 HydrophobicContact CB-CE1 3.78Å; A1310-Y1326 HydrophobicContact CB-CE2 3.73Å; A1310-Y1326 HydrophobicContact CB-CG 3.91Å; E1314-Y1326 PolarHBondContact OE2-OH 3.37Å; A1322-Y1326 HydrophobicContact CB-CE2 4.49Å; A1322-Y1326 WeakPolarHBondContact O-CD2 3.21Å; A1322-Y1326 PolarHBondContact O-N 3.45Å; V1323-Y1326 PolarHBondContact O-N 3.29Å; Y1326-K1328 VanDerWaalsContact C-N 3.3Å; Y1326-K1328 PolarHBondContact O-N 3.17Å; Y1326-I1329 HydrophobicContact CD1-CD1 4.43Å; Y1326-I1329 WeakPolarHBondContact O-CB 3.22Å; Y1326-I1329 PolarHBondContact O-N 2.9Å; Y1326-A1345 HydrophobicContact CD1-CB 4.42Å; Y1326-H1348 AromaticContact CE2-ND1 3.45Å; Y1326-H1348 WeakPolarHBondContact CE2-ND1 3.48Å; Y1326-H1348 AromaticContact CZ-CE1 3.89Å; Y1326-H1348 AromaticContact CZ-ND1 3.42Å; Y1326-L1352 HydrophobicContact CD2-CD1 3.62Å; Y1326-L1352 HydrophobicContact CE2-CD1 3.3Å |
| 1327 | L | 84.5 | Confident | 76.4 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.2 | -19 | 176.7 | -71.5 | 174.4 | 0 | 0 | 0 | 114 | V1323 E1324 I1329 A1349 V1365 L1368 V1369 R1372 | V1323-L1327 HydrophobicContact CG1-CD1 3.93Å; V1323-L1327 HydrophobicContact CG1-CG 4.39Å; V1323-L1327 WeakPolarHBondContact O-CB 3.2Å; V1323-L1327 VanDerWaalsContact O-CG 3.3Å; V1323-L1327 WeakPolarHBondContact O-CG 3.31Å; V1323-L1327 PolarHBondContact O-N 2.85Å; E1324-L1327 PolarHBondContact O-N 2.96Å; L1327-I1329 PolarHBondContact O-N 2.87Å; L1327-A1349 HydrophobicContact CD2-CB 4.26Å; L1327-A1349 HydrophobicContact CG-CB 4.27Å; L1327-V1365 HydrophobicContact CD1-CG1 4.3Å; L1327-V1365 HydrophobicContact CD1-CG2 4.42Å; L1327-L1368 HydrophobicContact CD1-CD2 4.22Å; L1327-L1368 HydrophobicContact CD2-CD2 3.89Å; L1327-V1369 HydrophobicContact CD2-CG2 3.81Å; L1327-R1372 PolarHBondContact O-NH1 3.39Å; L1327-R1372 PolarHBondContact O-NH2 2.96Å |
| 1328 | K | 82.3 | Confident | 75.8 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -15.5 | 173.1 | -77.2 | 171.1 | -171.7 | 176.8 | 0 | 113 | Y1306 E1324 S1325 Y1326 T1330 T1333 | Y1306-K1328 HydrophobicContact CD1-CB 4.14Å; Y1306-K1328 HydrophobicContact CD1-CD 3.99Å; Y1306-K1328 HydrophobicContact CE1-CB 4.37Å; Y1306-K1328 HydrophobicContact CE1-CD 3.78Å; Y1306-K1328 HydrophobicContact CG-CB 4.39Å; E1324-K1328 VanDerWaalsContact O-CG 3.32Å; E1324-K1328 WeakPolarHBondContact O-CG 3.24Å; E1324-K1328 PolarHBondContact O-N 3.41Å; E1324-K1328 VanDerWaalsContact O-N 3.13Å; S1325-K1328 PolarHBondContact O-N 2.9Å; Y1326-K1328 VanDerWaalsContact C-N 3.3Å; Y1326-K1328 PolarHBondContact O-N 3.17Å; K1328-T1330 PolarHBondContact O-N 2.96Å; K1328-T1333 PolarHBondContact O-OG1 3.09Å |
| 1329 | I | 77.4 | Confident | 75 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | trans | -71.7 | 102.1 | 172.4 | -56.5 | 174.2 | 0 | 0 | 0 | 107.1 | F1307 Y1326 L1327 I1337 A1345 W1346 | F1307-I1329 HydrophobicContact CB-CD1 4.43Å; F1307-I1329 HydrophobicContact CD2-CD1 3.93Å; Y1326-I1329 HydrophobicContact CD1-CD1 4.43Å; Y1326-I1329 WeakPolarHBondContact O-CB 3.22Å; Y1326-I1329 PolarHBondContact O-N 2.9Å; L1327-I1329 PolarHBondContact O-N 2.87Å; I1329-I1337 HydrophobicContact CG2-CD1 4.16Å; I1329-I1337 HydrophobicContact CG2-CG2 3.66Å; I1329-A1345 HydrophobicContact CB-CB 4.29Å; I1329-A1345 HydrophobicContact CD1-CB 3.76Å; I1329-A1345 HydrophobicContact CG2-CB 4.35Å; I1329-W1346 PolarHBondContact O-NE1 3.4Å | ||
| 1330 | T | 73 | Confident | 74.1 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | trans | -124.7 | 154.4 | 176.8 | 61.6 | 0 | 0 | 0 | 0 | 110 | K1328 N1332 T1333 I1337 | K1328-T1330 PolarHBondContact O-N 2.96Å; T1330-N1332 PolarHBondContact O-N 3.35Å; T1330-T1333 PolarHBondContact N-OG1 3.21Å; T1330-T1333 PolarHBondContact O-N 2.92Å; T1330-T1333 VanDerWaalsContact O-N 3.1Å; T1330-T1333 PolarHBondContact O-OG1 2.8Å; T1330-T1333 WeakPolarHBondContact OG1-CG2 3.15Å; T1330-T1333 PolarHBondContact OG1-OG1 3.39Å; T1330-I1337 WeakPolarHBondContact O-CD1 3.34Å | ||
| 1331 | P | 67 | Low | 73.6 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16 | 177.1 | 19.6 | -30 | 0 | 0 | 0 | 113.6 | ||
| 1332 | N | 66.5 | Low | 73.2 | Confident | 155 Ų | 155 | 61 Ų | 61 | 83% | 0.829 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -5.8 | -179.5 | -64.3 | -0.6 | 0 | 0 | 0 | 114.5 | T1330 | T1330-N1332 PolarHBondContact O-N 3.35Š|
| 1333 | T | 61.7 | Low | 72.9 | Confident | 55 Ų | 55 | 64 Ų | 64 | 34% | 0.337 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -88.8 | -18.5 | -170 | 25.4 | 0 | 0 | 0 | 0 | 115.7 | K1328 T1330 | K1328-T1333 PolarHBondContact O-OG1 3.09Å; T1330-T1333 PolarHBondContact N-OG1 3.21Å; T1330-T1333 PolarHBondContact O-N 2.92Å; T1330-T1333 VanDerWaalsContact O-N 3.1Å; T1330-T1333 PolarHBondContact O-OG1 2.8Å; T1330-T1333 WeakPolarHBondContact OG1-CG2 3.15Å; T1330-T1333 PolarHBondContact OG1-OG1 3.39Å |
| 1334 | N | 56.9 | Low | 72.7 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 42% | 0.422 | 37% | 0.374 | S | S | . | . | trans | -165.5 | 138.6 | 172 | -90.6 | -25 | 0 | 0 | 0 | 108 | N1304 S1336 I1337 | N1304-N1334 PolarHBondContact OD1-ND2 3.2Å; N1334-S1336 PolarHBondContact O-N 3.23Å; N1334-I1337 HydrophobicContact CB-CD1 3.96Å; N1334-I1337 HydrophobicContact CB-CG1 4.15Å; N1334-I1337 PolarHBondContact O-N 2.93Å | ||
| 1335 | D | 56.3 | Low | 72.6 | Confident | 185 Ų | 185 | 65 Ų | 65 | 99% | 0.989 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -5.3 | -179.4 | -67.7 | -27.8 | 0 | 0 | 0 | 114.3 | ||
| 1336 | S | 58.3 | Low | 72.7 | Confident | 92 Ų | 92 | 65 Ų | 65 | 64% | 0.643 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 10 | -177.2 | 71 | 0 | 0 | 0 | 0 | 114.9 | N1334 | N1334-S1336 PolarHBondContact O-N 3.23Š|
| 1337 | I | 62.1 | Low | 72.7 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | trans | -97.5 | 110.6 | -177.7 | -60.6 | 170.1 | 0 | 0 | 0 | 109.7 | I1329 T1330 N1334 L1341 C1342 | I1329-I1337 HydrophobicContact CG2-CD1 4.16Å; I1329-I1337 HydrophobicContact CG2-CG2 3.66Å; T1330-I1337 WeakPolarHBondContact O-CD1 3.34Å; N1334-I1337 HydrophobicContact CB-CD1 3.96Å; N1334-I1337 HydrophobicContact CB-CG1 4.15Å; N1334-I1337 PolarHBondContact O-N 2.93Å; I1337-L1341 HydrophobicContact CG2-CD2 4.38Å; I1337-C1342 WeakPolarHBondContact CG2-SG 3.39Å | ||
| 1338 | T | 67 | Low | 72.8 | Confident | 69 Ų | 69 | 68.7 Ų | 68.7 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | trans | -74.4 | 150.8 | 175.6 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | E1340 L1341 C1342 | T1338-E1340 PolarHBondContact O-N 3.44Å; T1338-L1341 WeakPolarHBondContact O-CB 3.44Å; T1338-L1341 PolarHBondContact O-N 3.46Å; T1338-L1341 WeakPolarHBondContact OG1-CB 3.42Å; T1338-L1341 PolarHBondContact OG1-N 2.8Å; T1338-C1342 PolarHBondContact O-N 3.14Å | ||
| 1339 | P | 68.4 | Low | 73 | Confident | 82 Ų | 82 | 63.9 Ų | 63.9 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.9 | -31.7 | 173.4 | 19.9 | -29.6 | 0 | 0 | 0 | 112.5 | C1342 E1343 I1376 | P1339-C1342 WeakPolarHBondContact O-CB 3.21Å; P1339-C1342 PolarHBondContact O-N 3.02Å; P1339-E1343 PolarHBondContact O-N 2.78Å; P1339-I1376 HydrophobicContact CB-CG2 4.29Å |
| 1340 | E | 70 | Confident | 73.4 | Confident | 144 Ų | 144 | 64 Ų | 64 | 67% | 0.673 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.7 | -39.1 | 172.5 | -62.9 | 167 | 177.3 | 0 | 0 | 112.5 | T1338 E1343 H1344 | T1338-E1340 PolarHBondContact O-N 3.44Å; E1340-E1343 WeakPolarHBondContact O-CB 3.27Å; E1340-E1343 PolarHBondContact O-N 3.44Å; E1340-H1344 PolarHBondContact O-N 3.31Å |
| 1341 | L | 76 | Confident | 74 | Confident | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.335 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69 | -37.1 | 175.2 | -165 | 79.2 | 0 | 0 | 0 | 111 | I1337 T1338 A1345 | I1337-L1341 HydrophobicContact CG2-CD2 4.38Å; T1338-L1341 WeakPolarHBondContact O-CB 3.44Å; T1338-L1341 PolarHBondContact O-N 3.46Å; T1338-L1341 WeakPolarHBondContact OG1-CB 3.42Å; T1338-L1341 PolarHBondContact OG1-N 2.8Å; L1341-A1345 WeakPolarHBondContact O-CB 3.31Å; L1341-A1345 PolarHBondContact O-N 3.47Å |
| 1342 | C | 77.2 | Confident | 75 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 171.4 | -75 | 0 | 0 | 0 | 0 | 111.3 | I1337 T1338 P1339 A1345 W1346 | I1337-C1342 WeakPolarHBondContact CG2-SG 3.39Å; T1338-C1342 PolarHBondContact O-N 3.14Å; P1339-C1342 WeakPolarHBondContact O-CB 3.21Å; P1339-C1342 PolarHBondContact O-N 3.02Å; C1342-A1345 PolarHBondContact O-N 3.26Å; C1342-W1346 HydrophobicContact CB-CD2 4.29Å; C1342-W1346 HydrophobicContact CB-CE3 4.36Å; C1342-W1346 HydrophobicContact CB-CH2 4.01Å; C1342-W1346 HydrophobicContact CB-CZ2 3.87Å; C1342-W1346 HydrophobicContact CB-CZ3 4.24Å; C1342-W1346 VanDerWaalsContact O-CB 3.31Å; C1342-W1346 WeakPolarHBondContact O-CB 3.44Å; C1342-W1346 VanDerWaalsContact O-CD2 3.28Å; C1342-W1346 PolarHBondContact O-N 3.38Å |
| 1343 | E | 81.5 | Confident | 75.9 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56 | -53 | 175.4 | -178.2 | -171.7 | 164.5 | 0 | 0 | 110.8 | P1339 E1340 A1345 W1346 L1347 | P1339-E1343 PolarHBondContact O-N 2.78Å; E1340-E1343 WeakPolarHBondContact O-CB 3.27Å; E1340-E1343 PolarHBondContact O-N 3.44Å; E1343-A1345 PolarHBondContact O-N 3.43Å; E1343-W1346 PolarHBondContact O-N 3.28Å; E1343-L1347 HydrophobicContact CG-CD1 3.86Å; E1343-L1347 HydrophobicContact CG-CG 4.46Å; E1343-L1347 WeakPolarHBondContact O-CB 3.42Å; E1343-L1347 WeakPolarHBondContact O-CG 3.37Å; E1343-L1347 PolarHBondContact O-N 3.42Å |
| 1344 | H | 82.9 | Confident | 76.9 | Confident | 122 Ų | 122 | 58.3 Ų | 58.3 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.2 | -41.4 | -179.8 | -167.9 | -69.9 | 0 | 0 | 0 | 111.9 | E1340 H1348 | E1340-H1344 PolarHBondContact O-N 3.31Å; H1344-H1348 WeakPolarHBondContact O-CB 3.37Å; H1344-H1348 PolarHBondContact O-N 3.15Å |
| 1345 | A | 84 | Confident | 78.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1326 I1329 L1341 C1342 E1343 H1348 A1349 | Y1326-A1345 HydrophobicContact CD1-CB 4.42Å; I1329-A1345 HydrophobicContact CB-CB 4.29Å; I1329-A1345 HydrophobicContact CD1-CB 3.76Å; I1329-A1345 HydrophobicContact CG2-CB 4.35Å; L1341-A1345 WeakPolarHBondContact O-CB 3.31Å; L1341-A1345 PolarHBondContact O-N 3.47Å; C1342-A1345 PolarHBondContact O-N 3.26Å; E1343-A1345 PolarHBondContact O-N 3.43Å; A1345-H1348 PolarHBondContact O-N 3.4Å; A1345-A1349 WeakPolarHBondContact O-CB 3.29Å; A1345-A1349 PolarHBondContact O-N 3.35Å |
| 1346 | W | 88.2 | Confident | 79.7 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -74.3 | -39.4 | -178.3 | -62.3 | -17.1 | 0 | 0 | 0 | 112.4 | I1329 C1342 E1343 H1348 A1349 T1350 V1369 R1372 L1373 I1376 | I1329-W1346 PolarHBondContact O-NE1 3.4Å; C1342-W1346 HydrophobicContact CB-CD2 4.29Å; C1342-W1346 HydrophobicContact CB-CE3 4.36Å; C1342-W1346 HydrophobicContact CB-CH2 4.01Å; C1342-W1346 HydrophobicContact CB-CZ2 3.87Å; C1342-W1346 HydrophobicContact CB-CZ3 4.24Å; C1342-W1346 VanDerWaalsContact O-CB 3.31Å; C1342-W1346 WeakPolarHBondContact O-CB 3.44Å; C1342-W1346 VanDerWaalsContact O-CD2 3.28Å; C1342-W1346 PolarHBondContact O-N 3.38Å; E1343-W1346 PolarHBondContact O-N 3.28Å; W1346-H1348 VanDerWaalsContact C-N 3.32Å; W1346-A1349 WeakPolarHBondContact O-CB 3.14Å; W1346-A1349 PolarHBondContact O-N 3.04Å; W1346-T1350 PolarHBondContact O-N 3.23Å; W1346-T1350 PolarHBondContact O-OG1 2.92Å; W1346-T1350 VanDerWaalsContact O-OG1 3.05Å; W1346-V1369 HydrophobicContact CB-CG1 3.73Å; W1346-V1369 HydrophobicContact CB-CG2 4.01Å; W1346-R1372 HydrophobicContact CD2-CB 4.45Å; W1346-R1372 HydrophobicContact CE3-CB 3.96Å; W1346-R1372 HydrophobicContact CH2-CB 3.79Å; W1346-R1372 HydrophobicContact CH2-CG 4.46Å; W1346-R1372 HydrophobicContact CZ2-CB 4.34Å; W1346-R1372 HydrophobicContact CZ3-CB 3.6Å; W1346-L1373 HydrophobicContact CE3-CD2 4.33Å; W1346-L1373 HydrophobicContact CE3-CG 4.43Å; W1346-I1376 HydrophobicContact CH2-CD1 3.5Å; W1346-I1376 HydrophobicContact CH2-CG1 4.48Å; W1346-I1376 HydrophobicContact CZ3-CD1 3.47Å; W1346-I1376 VanDerWaalsContact CZ3-CD1 3.47Å; W1346-I1376 HydrophobicContact CZ3-CG1 4.37Å |
| 1347 | L | 86.4 | Confident | 81 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 171.7 | -70.9 | 175.4 | 0 | 0 | 0 | 111.2 | E1343 T1350 N1351 L1385 | E1343-L1347 HydrophobicContact CG-CD1 3.86Å; E1343-L1347 HydrophobicContact CG-CG 4.46Å; E1343-L1347 WeakPolarHBondContact O-CB 3.42Å; E1343-L1347 WeakPolarHBondContact O-CG 3.37Å; E1343-L1347 PolarHBondContact O-N 3.42Å; L1347-T1350 PolarHBondContact O-N 3.31Å; L1347-N1351 WeakPolarHBondContact O-CB 3.27Å; L1347-N1351 VanDerWaalsContact O-CG 3.3Å; L1347-N1351 PolarHBondContact O-N 3.14Å; L1347-N1351 PolarHBondContact O-ND2 3.24Å; L1347-L1385 HydrophobicContact CD2-CD1 4.28Å; L1347-L1385 HydrophobicContact CD2-CD2 4.48Å |
| 1348 | H | 86.7 | Confident | 82 | Confident | 54 Ų | 54 | 58 Ų | 58 | 25% | 0.25 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 174 | -162.4 | -93.3 | 0 | 0 | 0 | 112 | E1314 Y1326 H1344 A1345 W1346 T1350 N1351 L1352 | E1314-H1348 IonicContact OE1-CE1 3.59Å; E1314-H1348 IonicContact OE2-CE1 3.44Å; E1314-H1348 PolarHBondContact OE2-CE1 3.08Å; Y1326-H1348 AromaticContact CE2-ND1 3.45Å; Y1326-H1348 WeakPolarHBondContact CE2-ND1 3.48Å; Y1326-H1348 AromaticContact CZ-CE1 3.89Å; Y1326-H1348 AromaticContact CZ-ND1 3.42Å; H1344-H1348 WeakPolarHBondContact O-CB 3.37Å; H1344-H1348 PolarHBondContact O-N 3.15Å; A1345-H1348 PolarHBondContact O-N 3.4Å; W1346-H1348 VanDerWaalsContact C-N 3.32Å; H1348-T1350 PolarHBondContact O-N 3.29Å; H1348-N1351 PolarHBondContact O-N 3.44Å; H1348-L1352 VanDerWaalsContact ND1-CD1 3.34Å; H1348-L1352 WeakPolarHBondContact ND1-CD1 3.5Å; H1348-L1352 WeakPolarHBondContact O-CB 3.35Å; H1348-L1352 PolarHBondContact O-N 2.9Å |
| 1349 | A | 86.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1323 L1327 A1345 W1346 L1352 A1353 | V1323-A1349 HydrophobicContact CG1-CB 4.4Å; L1327-A1349 HydrophobicContact CD2-CB 4.26Å; L1327-A1349 HydrophobicContact CG-CB 4.27Å; A1345-A1349 WeakPolarHBondContact O-CB 3.29Å; A1345-A1349 PolarHBondContact O-N 3.35Å; W1346-A1349 WeakPolarHBondContact O-CB 3.14Å; W1346-A1349 PolarHBondContact O-N 3.04Å; A1349-L1352 PolarHBondContact O-N 3.49Å; A1349-A1353 VanDerWaalsContact O-CB 3.28Å; A1349-A1353 WeakPolarHBondContact O-CB 3.11Å; A1349-A1353 PolarHBondContact O-N 2.83Å |
| 1350 | T | 85.9 | Confident | 83.3 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 174.3 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | W1346 L1347 H1348 L1352 A1353 V1354 T1366 L1385 | W1346-T1350 PolarHBondContact O-N 3.23Å; W1346-T1350 PolarHBondContact O-OG1 2.92Å; W1346-T1350 VanDerWaalsContact O-OG1 3.05Å; L1347-T1350 PolarHBondContact O-N 3.31Å; H1348-T1350 PolarHBondContact O-N 3.29Å; T1350-L1352 PolarHBondContact O-N 3.44Å; T1350-A1353 PolarHBondContact O-N 2.92Å; T1350-V1354 HydrophobicContact CG2-CG2 4.4Å; T1350-V1354 VanDerWaalsContact O-CG2 3.31Å; T1350-V1354 WeakPolarHBondContact O-CG2 3.34Å; T1350-V1354 PolarHBondContact O-N 2.73Å; T1350-T1366 HydrophobicContact CG2-CG2 3.82Å; T1350-L1385 HydrophobicContact CG2-CD2 4.28Å |
| 1351 | N | 85.8 | Confident | 83.8 | Confident | 94 Ų | 94 | 58.4 Ų | 58.4 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 178.7 | -75 | -28 | 0 | 0 | 0 | 112.5 | L1347 H1348 K1355 | L1347-N1351 WeakPolarHBondContact O-CB 3.27Å; L1347-N1351 VanDerWaalsContact O-CG 3.3Å; L1347-N1351 PolarHBondContact O-N 3.14Å; L1347-N1351 PolarHBondContact O-ND2 3.24Å; H1348-N1351 PolarHBondContact O-N 3.44Å; N1351-K1355 WeakPolarHBondContact O-CB 3.5Å; N1351-K1355 WeakPolarHBondContact O-CG 3.42Å; N1351-K1355 PolarHBondContact O-N 3.36Å; N1351-K1355 VanDerWaalsContact O-N 3.09Å |
| 1352 | L | 86.5 | Confident | 84.2 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 173.5 | -82.3 | 166.7 | 0 | 0 | 0 | 111.7 | E1314 Y1319 V1323 Y1326 H1348 A1349 T1350 K1355 F1356 | E1314-L1352 HydrophobicContact CG-CD2 4.27Å; Y1319-L1352 HydrophobicContact CD1-CD2 4.09Å; V1323-L1352 HydrophobicContact CG2-CB 3.69Å; Y1326-L1352 HydrophobicContact CD2-CD1 3.62Å; Y1326-L1352 HydrophobicContact CE2-CD1 3.3Å; H1348-L1352 VanDerWaalsContact ND1-CD1 3.34Å; H1348-L1352 WeakPolarHBondContact ND1-CD1 3.5Å; H1348-L1352 WeakPolarHBondContact O-CB 3.35Å; H1348-L1352 PolarHBondContact O-N 2.9Å; A1349-L1352 PolarHBondContact O-N 3.49Å; T1350-L1352 PolarHBondContact O-N 3.44Å; L1352-K1355 PolarHBondContact O-N 3.27Å; L1352-F1356 HydrophobicContact CD2-CD2 3.82Å; L1352-F1356 HydrophobicContact CD2-CE2 3.88Å; L1352-F1356 PolarHBondContact O-N 3.37Å |
| 1353 | A | 85.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | V1323 A1349 T1350 L1357 S1362 V1365 | V1323-A1353 HydrophobicContact CG2-CB 4.29Å; A1349-A1353 VanDerWaalsContact O-CB 3.28Å; A1349-A1353 WeakPolarHBondContact O-CB 3.11Å; A1349-A1353 PolarHBondContact O-N 2.83Å; T1350-A1353 PolarHBondContact O-N 2.92Å; A1353-L1357 HydrophobicContact CB-CD1 3.83Å; A1353-L1357 HydrophobicContact CB-CG 4.46Å; A1353-L1357 WeakPolarHBondContact O-CB 3.35Å; A1353-L1357 PolarHBondContact O-N 3.22Å; A1353-L1357 VanDerWaalsContact O-N 3.07Å; A1353-S1362 WeakPolarHBondContact O-CB 3.36Å; A1353-V1365 HydrophobicContact CB-CB 3.89Å; A1353-V1365 HydrophobicContact CB-CG1 3.84Å; A1353-V1365 HydrophobicContact CB-CG2 4.12Å |
| 1354 | V | 83.6 | Confident | 84.8 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 56% | 0.564 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.1 | -36.1 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | T1350 | T1350-V1354 HydrophobicContact CG2-CG2 4.4Å; T1350-V1354 VanDerWaalsContact O-CG2 3.31Å; T1350-V1354 WeakPolarHBondContact O-CG2 3.34Å; T1350-V1354 PolarHBondContact O-N 2.73Å |
| 1355 | K | 85.6 | Confident | 84.9 | Confident | 161 Ų | 161 | 57.3 Ų | 57.3 | 70% | 0.7 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -79.7 | -36.1 | -178.5 | -76 | -179.4 | -179.6 | 179.7 | 0 | 114.4 | N1351 L1352 | N1351-K1355 WeakPolarHBondContact O-CB 3.5Å; N1351-K1355 WeakPolarHBondContact O-CG 3.42Å; N1351-K1355 PolarHBondContact O-N 3.36Å; N1351-K1355 VanDerWaalsContact O-N 3.09Å; L1352-K1355 PolarHBondContact O-N 3.27Å |
| 1356 | F | 85.9 | Confident | 85.1 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -128.8 | -13.1 | -165.3 | -58.6 | -71 | 0 | 0 | 0 | 115.8 | Y1319 L1352 | Y1319-F1356 HydrophobicContact CD1-CB 4.01Å; Y1319-F1356 HydrophobicContact CD1-CD1 4.31Å; Y1319-F1356 AromaticContact CD1-CD2 3.48Å; Y1319-F1356 HydrophobicContact CD1-CD2 3.48Å; Y1319-F1356 VanDerWaalsContact CD1-CD2 3.48Å; Y1319-F1356 AromaticContact CD1-CE2 3.96Å; Y1319-F1356 HydrophobicContact CD1-CE2 3.96Å; Y1319-F1356 AromaticContact CD1-CG 3.68Å; Y1319-F1356 HydrophobicContact CD1-CG 3.68Å; Y1319-F1356 HydrophobicContact CD2-CB 3.48Å; Y1319-F1356 VanDerWaalsContact CD2-CB 3.48Å; Y1319-F1356 AromaticContact CD2-CD1 3.87Å; Y1319-F1356 HydrophobicContact CD2-CD1 3.87Å; Y1319-F1356 HydrophobicContact CD2-CD2 4.33Å; Y1319-F1356 AromaticContact CD2-CG 3.65Å; Y1319-F1356 HydrophobicContact CD2-CG 3.65Å; Y1319-F1356 AromaticContact CE1-CD1 3.99Å; Y1319-F1356 HydrophobicContact CE1-CD1 3.99Å; Y1319-F1356 AromaticContact CE1-CD2 3.59Å; Y1319-F1356 HydrophobicContact CE1-CD2 3.59Å; Y1319-F1356 HydrophobicContact CE1-CE1 4.01Å; Y1319-F1356 AromaticContact CE1-CE2 3.61Å; Y1319-F1356 HydrophobicContact CE1-CE2 3.61Å; Y1319-F1356 AromaticContact CE1-CG 3.79Å; Y1319-F1356 HydrophobicContact CE1-CG 3.79Å; Y1319-F1356 AromaticContact CE1-CZ 3.82Å; Y1319-F1356 HydrophobicContact CE1-CZ 3.82Å; Y1319-F1356 HydrophobicContact CE2-CB 4.05Å; Y1319-F1356 AromaticContact CE2-CD1 3.49Å; Y1319-F1356 HydrophobicContact CE2-CD1 3.49Å; Y1319-F1356 VanDerWaalsContact CE2-CD1 3.49Å; Y1319-F1356 HydrophobicContact CE2-CD2 4.4Å; Y1319-F1356 AromaticContact CE2-CE1 3.97Å; Y1319-F1356 HydrophobicContact CE2-CE1 3.97Å; Y1319-F1356 AromaticContact CE2-CG 3.74Å; Y1319-F1356 HydrophobicContact CE2-CG 3.74Å; Y1319-F1356 HydrophobicContact CG-CB 3.43Å; Y1319-F1356 VanDerWaalsContact CG-CB 3.43Å; Y1319-F1356 HydrophobicContact CG-CD1 4.25Å; Y1319-F1356 AromaticContact CG-CD2 3.87Å; Y1319-F1356 HydrophobicContact CG-CD2 3.87Å; Y1319-F1356 AromaticContact CG-CG 3.6Å; Y1319-F1356 HydrophobicContact CG-CG 3.6Å; Y1319-F1356 AromaticContact CZ-CD1 3.56Å; Y1319-F1356 AromaticContact CZ-CE1 3.58Å; Y1319-F1356 AromaticContact CZ-CG 3.8Å; Y1319-F1356 AromaticContact CZ-CZ 3.84Å; L1352-F1356 HydrophobicContact CD2-CD2 3.82Å; L1352-F1356 HydrophobicContact CD2-CE2 3.88Å; L1352-F1356 PolarHBondContact O-N 3.37Å |
| 1357 | L | 84.7 | Confident | 85 | Confident | 24 Ų | 24 | 60 Ų | 60 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -98.3 | 154.5 | 178 | -62.3 | 178.6 | 0 | 0 | 0 | 111.8 | L1320 V1323 A1353 | L1320-L1357 HydrophobicContact CB-CD2 3.73Å; L1320-L1357 HydrophobicContact CD1-CD2 4.15Å; L1320-L1357 HydrophobicContact CG-CD2 4.21Å; V1323-L1357 HydrophobicContact CB-CD1 4.23Å; V1323-L1357 HydrophobicContact CG1-CD1 4.25Å; V1323-L1357 HydrophobicContact CG2-CD1 3.98Å; A1353-L1357 HydrophobicContact CB-CD1 3.83Å; A1353-L1357 HydrophobicContact CB-CG 4.46Å; A1353-L1357 WeakPolarHBondContact O-CB 3.35Å; A1353-L1357 PolarHBondContact O-N 3.22Å; A1353-L1357 VanDerWaalsContact O-N 3.07Å |
| 1358 | P | 83.4 | Confident | 85.1 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | trans | -55 | 148.2 | 172.3 | -23.5 | 33.1 | 0 | 0 | 0 | 111.6 | E1360 S1361 S1362 | P1358-E1360 PolarHBondContact O-N 3.32Å; P1358-E1360 VanDerWaalsContact O-N 3.08Å; P1358-S1361 WeakPolarHBondContact O-CA 3.14Å; P1358-S1361 WeakPolarHBondContact O-CB 3.42Å; P1358-S1361 PolarHBondContact O-N 2.81Å; P1358-S1362 PolarHBondContact O-N 2.78Å | ||
| 1359 | T | 80.3 | Confident | 85.1 | Confident | 115 Ų | 115 | 58.6 Ų | 58.6 | 71% | 0.706 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -51.4 | -35.8 | -177.4 | 25.6 | 0 | 0 | 0 | 0 | 113.9 | S1361 S1362 V1363 | T1359-S1361 VanDerWaalsContact C-N 3.34Å; T1359-S1361 PolarHBondContact O-N 3.35Å; T1359-S1362 WeakPolarHBondContact CA-OG 3.42Å; T1359-S1362 PolarHBondContact O-OG 2.88Å; T1359-V1363 WeakPolarHBondContact O-CG2 3.48Å; T1359-V1363 PolarHBondContact O-N 2.84Å; T1359-V1363 VanDerWaalsContact O-N 3.11Å |
| 1360 | E | 82.2 | Confident | 85.2 | Confident | 146 Ų | 146 | 58.7 Ų | 58.7 | 68% | 0.682 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.9 | -34.5 | 175.6 | -64.8 | -172.1 | 175.7 | 0 | 0 | 113.3 | P1358 K1364 | P1358-E1360 PolarHBondContact O-N 3.32Å; P1358-E1360 VanDerWaalsContact O-N 3.08Å; E1360-K1364 WeakPolarHBondContact O-CG 3.32Å; E1360-K1364 PolarHBondContact O-N 2.77Å |
| 1361 | S | 81.5 | Confident | 85.2 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -78.1 | -37.5 | 178.8 | -61.1 | 0 | 0 | 0 | 0 | 111 | P1358 T1359 K1364 V1365 | P1358-S1361 WeakPolarHBondContact O-CA 3.14Å; P1358-S1361 WeakPolarHBondContact O-CB 3.42Å; P1358-S1361 PolarHBondContact O-N 2.81Å; T1359-S1361 VanDerWaalsContact C-N 3.34Å; T1359-S1361 PolarHBondContact O-N 3.35Å; S1361-K1364 PolarHBondContact O-N 3.49Å; S1361-V1365 VanDerWaalsContact O-CG2 3.29Å; S1361-V1365 WeakPolarHBondContact O-CG2 3.47Å; S1361-V1365 PolarHBondContact O-N 3.36Å |
| 1362 | S | 83.4 | Confident | 85.1 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 175.9 | 70.3 | 0 | 0 | 0 | 0 | 111.6 | A1353 P1358 T1359 K1364 V1365 T1366 | A1353-S1362 WeakPolarHBondContact O-CB 3.36Å; P1358-S1362 PolarHBondContact O-N 2.78Å; T1359-S1362 WeakPolarHBondContact CA-OG 3.42Å; T1359-S1362 PolarHBondContact O-OG 2.88Å; S1362-K1364 VanDerWaalsContact C-N 3.33Å; S1362-K1364 PolarHBondContact O-N 2.83Å; S1362-V1365 PolarHBondContact O-N 3.27Å; S1362-T1366 PolarHBondContact O-N 2.93Å; S1362-T1366 PolarHBondContact O-OG1 3.08Å |
| 1363 | V | 85.8 | Confident | 85.1 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 34% | 0.339 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.3 | -45.2 | 175.1 | 166.4 | 0 | 0 | 0 | 0 | 111.7 | T1359 E1367 I1389 | T1359-V1363 WeakPolarHBondContact O-CG2 3.48Å; T1359-V1363 PolarHBondContact O-N 2.84Å; T1359-V1363 VanDerWaalsContact O-N 3.11Å; V1363-E1367 WeakPolarHBondContact O-CB 3.49Å; V1363-E1367 PolarHBondContact O-N 3.24Å; V1363-I1389 HydrophobicContact CB-CG2 3.98Å; V1363-I1389 HydrophobicContact CG1-CG2 3.54Å; V1363-I1389 HydrophobicContact CG2-CG2 3.76Å |
| 1364 | K | 85.6 | Confident | 84.9 | Confident | 140 Ų | 140 | 61.6 Ų | 61.6 | 61% | 0.609 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 178.8 | -73.2 | 173.9 | -175.1 | 172.9 | 0 | 112.6 | E1360 S1361 S1362 L1368 | E1360-K1364 WeakPolarHBondContact O-CG 3.32Å; E1360-K1364 PolarHBondContact O-N 2.77Å; S1361-K1364 PolarHBondContact O-N 3.49Å; S1362-K1364 VanDerWaalsContact C-N 3.33Å; S1362-K1364 PolarHBondContact O-N 2.83Å; K1364-L1368 WeakPolarHBondContact O-CB 3.3Å; K1364-L1368 PolarHBondContact O-N 2.8Å |
| 1365 | V | 86.1 | Confident | 84.8 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 10% | 0.097 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | V1323 L1327 A1353 S1361 S1362 E1367 L1368 V1369 | V1323-V1365 HydrophobicContact CG1-CG1 4.02Å; V1323-V1365 HydrophobicContact CG1-CG2 3.88Å; L1327-V1365 HydrophobicContact CD1-CG1 4.3Å; L1327-V1365 HydrophobicContact CD1-CG2 4.42Å; A1353-V1365 HydrophobicContact CB-CB 3.89Å; A1353-V1365 HydrophobicContact CB-CG1 3.84Å; A1353-V1365 HydrophobicContact CB-CG2 4.12Å; S1361-V1365 VanDerWaalsContact O-CG2 3.29Å; S1361-V1365 WeakPolarHBondContact O-CG2 3.47Å; S1361-V1365 PolarHBondContact O-N 3.36Å; S1362-V1365 PolarHBondContact O-N 3.27Å; V1365-E1367 PolarHBondContact O-N 3.21Å; V1365-L1368 PolarHBondContact O-N 2.94Å; V1365-V1369 HydrophobicContact CG1-CG2 4.38Å; V1365-V1369 WeakPolarHBondContact O-CG2 3.45Å; V1365-V1369 PolarHBondContact O-N 3.01Å |
| 1366 | T | 87.1 | Confident | 84.6 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 180 | -46.4 | 0 | 0 | 0 | 0 | 111.8 | T1350 S1362 V1369 A1370 L1385 I1389 | T1350-T1366 HydrophobicContact CG2-CG2 3.82Å; S1362-T1366 PolarHBondContact O-N 2.93Å; S1362-T1366 PolarHBondContact O-OG1 3.08Å; T1366-V1369 PolarHBondContact O-N 3.04Å; T1366-A1370 WeakPolarHBondContact O-CB 3.35Å; T1366-A1370 PolarHBondContact O-N 2.89Å; T1366-L1385 HydrophobicContact CG2-CB 4.21Å; T1366-L1385 HydrophobicContact CG2-CD2 4.08Å; T1366-I1389 HydrophobicContact CG2-CD1 3.45Å; T1366-I1389 VanDerWaalsContact CG2-CD1 3.45Å; T1366-I1389 HydrophobicContact CG2-CG1 3.54Å |
| 1367 | E | 87.4 | Confident | 84.3 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 175.5 | -174.1 | 169.4 | -160.8 | 0 | 0 | 111.8 | V1363 V1365 A1370 S1371 I1389 K1394 | V1363-E1367 WeakPolarHBondContact O-CB 3.49Å; V1363-E1367 PolarHBondContact O-N 3.24Å; V1365-E1367 PolarHBondContact O-N 3.21Å; E1367-A1370 PolarHBondContact O-N 2.83Å; E1367-S1371 PolarHBondContact O-N 3.35Å; E1367-I1389 HydrophobicContact CB-CD1 4.15Å; E1367-K1394 IonicContact OE1-NZ 3.05Å; E1367-K1394 PolarHBondContact OE1-NZ 2.99Å |
| 1368 | L | 87.6 | Confident | 84.2 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 38% | 0.382 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 175 | -170.4 | 115.4 | 0 | 0 | 0 | 111.4 | L1327 K1364 V1365 S1371 R1372 | L1327-L1368 HydrophobicContact CD1-CD2 4.22Å; L1327-L1368 HydrophobicContact CD2-CD2 3.89Å; K1364-L1368 WeakPolarHBondContact O-CB 3.3Å; K1364-L1368 PolarHBondContact O-N 2.8Å; V1365-L1368 PolarHBondContact O-N 2.94Å; L1368-S1371 PolarHBondContact O-N 3.34Å; L1368-S1371 PolarHBondContact O-OG 3.19Å; L1368-R1372 WeakPolarHBondContact O-CG 3.48Å; L1368-R1372 PolarHBondContact O-N 2.88Å; L1368-R1372 VanDerWaalsContact O-N 3.08Å |
| 1369 | V | 87.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | L1327 W1346 V1365 T1366 S1371 R1372 L1373 L1385 | L1327-V1369 HydrophobicContact CD2-CG2 3.81Å; W1346-V1369 HydrophobicContact CB-CG1 3.73Å; W1346-V1369 HydrophobicContact CB-CG2 4.01Å; V1365-V1369 HydrophobicContact CG1-CG2 4.38Å; V1365-V1369 WeakPolarHBondContact O-CG2 3.45Å; V1365-V1369 PolarHBondContact O-N 3.01Å; T1366-V1369 PolarHBondContact O-N 3.04Å; V1369-S1371 VanDerWaalsContact C-N 3.32Å; V1369-S1371 PolarHBondContact O-N 3.2Å; V1369-R1372 PolarHBondContact O-N 3.41Å; V1369-R1372 VanDerWaalsContact O-N 3.14Å; V1369-L1373 HydrophobicContact CG1-CD1 3.83Å; V1369-L1373 HydrophobicContact CG1-CG 4.34Å; V1369-L1373 WeakPolarHBondContact O-CG 3.21Å; V1369-L1373 PolarHBondContact O-N 3.31Å; V1369-L1385 HydrophobicContact CG1-CD1 3.94Å |
| 1370 | A | 86.7 | Confident | 84.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1366 E1367 R1372 L1373 A1374 A1382 L1385 L1386 | T1366-A1370 WeakPolarHBondContact O-CB 3.35Å; T1366-A1370 PolarHBondContact O-N 2.89Å; E1367-A1370 PolarHBondContact O-N 2.83Å; A1370-R1372 VanDerWaalsContact C-N 3.33Å; A1370-R1372 PolarHBondContact O-N 3.21Å; A1370-L1373 PolarHBondContact O-N 3.3Å; A1370-A1374 WeakPolarHBondContact O-CB 3.4Å; A1370-A1374 PolarHBondContact O-N 3.16Å; A1370-A1382 WeakPolarHBondContact O-CB 3.22Å; A1370-L1385 HydrophobicContact CB-CB 4.17Å; A1370-L1386 HydrophobicContact CB-CD1 4.29Å; A1370-L1386 HydrophobicContact CB-CD2 4.02Å; A1370-L1386 HydrophobicContact CB-CG 3.74Å |
| 1371 | S | 86.3 | Confident | 84.8 | Confident | 70 Ų | 70 | 51.4 Ų | 51.4 | 49% | 0.49 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 174.7 | 75.5 | 0 | 0 | 0 | 0 | 112.7 | E1367 L1368 V1369 S1375 | E1367-S1371 PolarHBondContact O-N 3.35Å; L1368-S1371 PolarHBondContact O-N 3.34Å; L1368-S1371 PolarHBondContact O-OG 3.19Å; V1369-S1371 VanDerWaalsContact C-N 3.32Å; V1369-S1371 PolarHBondContact O-N 3.2Å; S1371-S1375 PolarHBondContact O-N 2.64Å; S1371-S1375 VanDerWaalsContact O-N 3.13Å |
| 1372 | R | 84.4 | Confident | 85.1 | Confident | 61 Ų | 61 | 49.5 Ų | 49.5 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.1 | -38.6 | 176.8 | -71 | -177.9 | 175.4 | -171.6 | -0.7 | 112.3 | L1327 W1346 L1368 V1369 A1370 S1375 I1376 | L1327-R1372 PolarHBondContact O-NH1 3.39Å; L1327-R1372 PolarHBondContact O-NH2 2.96Å; W1346-R1372 HydrophobicContact CD2-CB 4.45Å; W1346-R1372 HydrophobicContact CE3-CB 3.96Å; W1346-R1372 HydrophobicContact CH2-CB 3.79Å; W1346-R1372 HydrophobicContact CH2-CG 4.46Å; W1346-R1372 HydrophobicContact CZ2-CB 4.34Å; W1346-R1372 HydrophobicContact CZ3-CB 3.6Å; L1368-R1372 WeakPolarHBondContact O-CG 3.48Å; L1368-R1372 PolarHBondContact O-N 2.88Å; L1368-R1372 VanDerWaalsContact O-N 3.08Å; V1369-R1372 PolarHBondContact O-N 3.41Å; V1369-R1372 VanDerWaalsContact O-N 3.14Å; A1370-R1372 VanDerWaalsContact C-N 3.33Å; A1370-R1372 PolarHBondContact O-N 3.21Å; R1372-S1375 PolarHBondContact O-N 3.14Å; R1372-S1375 VanDerWaalsContact O-N 3.14Å; R1372-S1375 PolarHBondContact O-OG 2.86Å; R1372-I1376 PolarHBondContact O-N 3.04Å |
| 1373 | L | 85.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -39.8 | 173.4 | -73.8 | 165.5 | 0 | 0 | 0 | 111.7 | W1346 V1369 A1370 S1375 I1376 L1378 A1382 L1385 | W1346-L1373 HydrophobicContact CE3-CD2 4.33Å; W1346-L1373 HydrophobicContact CE3-CG 4.43Å; V1369-L1373 HydrophobicContact CG1-CD1 3.83Å; V1369-L1373 HydrophobicContact CG1-CG 4.34Å; V1369-L1373 WeakPolarHBondContact O-CG 3.21Å; V1369-L1373 PolarHBondContact O-N 3.31Å; A1370-L1373 PolarHBondContact O-N 3.3Å; L1373-S1375 PolarHBondContact O-N 3.43Å; L1373-I1376 CarbonylContact O-C 3.58Å; L1373-I1376 PolarHBondContact O-N 3.25Å; L1373-I1376 VanDerWaalsContact O-N 3.08Å; L1373-L1378 HydrophobicContact CB-CB 4.46Å; L1373-L1378 HydrophobicContact CD2-CB 4.38Å; L1373-L1378 HydrophobicContact CD2-CD1 3.92Å; L1373-L1378 PolarHBondContact O-N 3.12Å; L1373-L1378 VanDerWaalsContact O-N 3.11Å; L1373-A1382 HydrophobicContact CB-CB 4.14Å; L1373-L1385 HydrophobicContact CD1-CD1 3.29Å |
| 1374 | A | 82.5 | Confident | 85.4 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -30.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1370 I1376 E1377 H1379 A1382 | A1370-A1374 WeakPolarHBondContact O-CB 3.4Å; A1370-A1374 PolarHBondContact O-N 3.16Å; A1374-I1376 VanDerWaalsContact C-N 3.32Å; A1374-E1377 PolarHBondContact O-N 2.71Å; A1374-H1379 PolarHBondContact O-CE1 3.41Å; A1374-A1382 HydrophobicContact CB-CB 4.05Å |
| 1375 | S | 81.9 | Confident | 85.4 | Confident | 89 Ų | 89 | 44.8 Ų | 44.8 | 62% | 0.622 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -75 | -16 | 175 | 74.6 | 0 | 0 | 0 | 0 | 114.7 | S1371 R1372 L1373 | S1371-S1375 PolarHBondContact O-N 2.64Å; S1371-S1375 VanDerWaalsContact O-N 3.13Å; R1372-S1375 PolarHBondContact O-N 3.14Å; R1372-S1375 VanDerWaalsContact O-N 3.14Å; R1372-S1375 PolarHBondContact O-OG 2.86Å; L1373-S1375 PolarHBondContact O-N 3.43Å |
| 1376 | I | 79.8 | Confident | 85.5 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 26% | 0.256 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 21.8 | 174.1 | -54.2 | -176.9 | 0 | 0 | 0 | 110.3 | P1339 W1346 R1372 L1373 A1374 L1378 | P1339-I1376 HydrophobicContact CB-CG2 4.29Å; W1346-I1376 HydrophobicContact CH2-CD1 3.5Å; W1346-I1376 HydrophobicContact CH2-CG1 4.48Å; W1346-I1376 HydrophobicContact CZ3-CD1 3.47Å; W1346-I1376 VanDerWaalsContact CZ3-CD1 3.47Å; W1346-I1376 HydrophobicContact CZ3-CG1 4.37Å; R1372-I1376 PolarHBondContact O-N 3.04Å; L1373-I1376 CarbonylContact O-C 3.58Å; L1373-I1376 PolarHBondContact O-N 3.25Å; L1373-I1376 VanDerWaalsContact O-N 3.08Å; A1374-I1376 VanDerWaalsContact C-N 3.32Å; I1376-L1378 PolarHBondContact O-N 3.43Å |
| 1377 | E | 79.7 | Confident | 85.5 | Confident | 164 Ų | 164 | 46.8 Ų | 46.8 | 77% | 0.766 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 11.4 | 179.4 | -55.3 | -177 | 164.3 | 0 | 0 | 115.1 | A1374 H1379 | A1374-E1377 PolarHBondContact O-N 2.71Å; E1377-H1379 PolarHBondContact O-N 3.05Å |
| 1378 | L | 82.4 | Confident | 85.4 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 29% | 0.293 | 27% | 0.268 | S | S | . | . | trans | -85.5 | 59.2 | 174.7 | -70.7 | 168.7 | 0 | 0 | 0 | 111 | L1373 I1376 T1380 L1381 A1382 | L1373-L1378 HydrophobicContact CB-CB 4.46Å; L1373-L1378 HydrophobicContact CD2-CB 4.38Å; L1373-L1378 HydrophobicContact CD2-CD1 3.92Å; L1373-L1378 PolarHBondContact O-N 3.12Å; L1373-L1378 VanDerWaalsContact O-N 3.11Å; I1376-L1378 PolarHBondContact O-N 3.43Å; L1378-T1380 VanDerWaalsContact C-N 3.34Å; L1378-T1380 PolarHBondContact O-N 3.05Å; L1378-L1381 HydrophobicContact CB-CD1 4.46Å; L1378-L1381 HydrophobicContact CD1-CD1 4.39Å; L1378-L1381 HydrophobicContact CD2-CD1 4.31Å; L1378-L1381 PolarHBondContact O-N 2.91Å; L1378-A1382 WeakPolarHBondContact O-CB 3.16Å; L1378-A1382 PolarHBondContact O-N 3.01Å | ||
| 1379 | H | 87.2 | Confident | 85.2 | Confident | 47 Ų | 47 | 45.9 Ų | 45.9 | 22% | 0.218 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64 | -33 | -173.4 | -63.3 | -55.3 | 0 | 0 | 0 | 114.2 | A1374 E1377 G1383 A1398 | A1374-H1379 PolarHBondContact O-CE1 3.41Å; E1377-H1379 PolarHBondContact O-N 3.05Å; H1379-G1383 PolarHBondContact O-N 3.45Å; H1379-A1398 WeakPolarHBondContact CB-O 3.36Å |
| 1380 | T | 86.6 | Confident | 84.9 | Confident | 55 Ų | 55 | 52 Ų | 52 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.2 | -47.8 | 178.1 | 46.3 | 0 | 0 | 0 | 0 | 111.8 | L1378 G1383 E1384 | L1378-T1380 VanDerWaalsContact C-N 3.34Å; L1378-T1380 PolarHBondContact O-N 3.05Å; T1380-G1383 PolarHBondContact O-N 2.84Å; T1380-E1384 WeakPolarHBondContact O-CG 3.04Å; T1380-E1384 PolarHBondContact O-N 3.34Å |
| 1381 | L | 85.5 | Confident | 84.9 | Confident | 49 Ų | 49 | 56 Ų | 56 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 175.9 | -72 | 171.1 | 0 | 0 | 0 | 111.6 | L1378 G1383 E1384 L1385 | L1378-L1381 HydrophobicContact CB-CD1 4.46Å; L1378-L1381 HydrophobicContact CD1-CD1 4.39Å; L1378-L1381 HydrophobicContact CD2-CD1 4.31Å; L1378-L1381 PolarHBondContact O-N 2.91Å; L1381-G1383 VanDerWaalsContact C-N 3.35Å; L1381-E1384 PolarHBondContact O-N 3.48Å; L1381-L1385 WeakPolarHBondContact O-CG 3.11Å; L1381-L1385 PolarHBondContact O-N 3.39Å |
| 1382 | A | 87.7 | Confident | 85 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1370 L1373 A1374 L1378 L1385 L1386 | A1370-A1382 WeakPolarHBondContact O-CB 3.22Å; L1373-A1382 HydrophobicContact CB-CB 4.14Å; A1374-A1382 HydrophobicContact CB-CB 4.05Å; L1378-A1382 WeakPolarHBondContact O-CB 3.16Å; L1378-A1382 PolarHBondContact O-N 3.01Å; A1382-L1385 PolarHBondContact O-N 3.2Å; A1382-L1386 WeakPolarHBondContact O-CB 3.16Å; A1382-L1386 WeakPolarHBondContact O-CD1 3.43Å; A1382-L1386 VanDerWaalsContact O-CG 3.25Å; A1382-L1386 WeakPolarHBondContact O-CG 3.35Å; A1382-L1386 PolarHBondContact O-N 3.05Å |
| 1383 | G | 87.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1379 T1380 L1381 L1386 L1387 A1395 | H1379-G1383 PolarHBondContact O-N 3.45Å; T1380-G1383 PolarHBondContact O-N 2.84Å; L1381-G1383 VanDerWaalsContact C-N 3.35Å; G1383-L1386 PolarHBondContact O-N 2.99Å; G1383-L1387 WeakPolarHBondContact O-CG 3.48Å; G1383-L1387 PolarHBondContact O-N 3.37Å; G1383-A1395 WeakPolarHBondContact O-CB 3.39Å |
| 1384 | E | 87.8 | Confident | 85.2 | Confident | 87 Ų | 87 | 59.4 Ų | 59.4 | 41% | 0.407 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 177.4 | -73.5 | 171.8 | -173.7 | 0 | 0 | 112.6 | T1380 L1381 L1387 S1388 F1399 K1407 | T1380-E1384 WeakPolarHBondContact O-CG 3.04Å; T1380-E1384 PolarHBondContact O-N 3.34Å; L1381-E1384 PolarHBondContact O-N 3.48Å; E1384-L1387 WeakPolarHBondContact O-CB 3.28Å; E1384-L1387 PolarHBondContact O-N 3.22Å; E1384-S1388 PolarHBondContact O-N 2.88Å; E1384-S1388 VanDerWaalsContact O-N 3.1Å; E1384-F1399 HydrophobicContact CG-CZ 4.43Å; E1384-K1407 IonicContact OE1-NZ 2.8Å; E1384-K1407 PolarHBondContact OE1-NZ 2.99Å |
| 1385 | L | 86.9 | Confident | 85.5 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 172.2 | -74.1 | 174.2 | 0 | 0 | 0 | 111.9 | L1347 T1350 T1366 V1369 A1370 L1373 L1381 A1382 L1387 S1388 I1389 | L1347-L1385 HydrophobicContact CD2-CD1 4.28Å; L1347-L1385 HydrophobicContact CD2-CD2 4.48Å; T1350-L1385 HydrophobicContact CG2-CD2 4.28Å; T1366-L1385 HydrophobicContact CG2-CB 4.21Å; T1366-L1385 HydrophobicContact CG2-CD2 4.08Å; V1369-L1385 HydrophobicContact CG1-CD1 3.94Å; A1370-L1385 HydrophobicContact CB-CB 4.17Å; L1373-L1385 HydrophobicContact CD1-CD1 3.29Å; L1381-L1385 WeakPolarHBondContact O-CG 3.11Å; L1381-L1385 PolarHBondContact O-N 3.39Å; A1382-L1385 PolarHBondContact O-N 3.2Å; L1385-L1387 VanDerWaalsContact C-N 3.32Å; L1385-L1387 PolarHBondContact O-N 3.34Å; L1385-S1388 WeakPolarHBondContact O-CB 3.29Å; L1385-S1388 PolarHBondContact O-N 3.39Å; L1385-S1388 VanDerWaalsContact O-N 3.09Å; L1385-S1388 PolarHBondContact O-OG 2.96Å; L1385-I1389 WeakPolarHBondContact O-CG1 3.22Å; L1385-I1389 PolarHBondContact O-N 3.32Å |
| 1386 | L | 88 | Confident | 85.8 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 177.1 | -74.2 | 163 | 0 | 0 | 0 | 112.3 | A1370 A1382 G1383 S1388 I1389 D1390 K1391 K1394 A1395 | A1370-L1386 HydrophobicContact CB-CD1 4.29Å; A1370-L1386 HydrophobicContact CB-CD2 4.02Å; A1370-L1386 HydrophobicContact CB-CG 3.74Å; A1382-L1386 WeakPolarHBondContact O-CB 3.16Å; A1382-L1386 WeakPolarHBondContact O-CD1 3.43Å; A1382-L1386 VanDerWaalsContact O-CG 3.25Å; A1382-L1386 WeakPolarHBondContact O-CG 3.35Å; A1382-L1386 PolarHBondContact O-N 3.05Å; G1383-L1386 PolarHBondContact O-N 2.99Å; L1386-S1388 VanDerWaalsContact C-N 3.31Å; L1386-I1389 PolarHBondContact O-N 2.95Å; L1386-D1390 PolarHBondContact O-N 3.45Å; L1386-K1391 HydrophobicContact CB-CB 4.31Å; L1386-K1391 HydrophobicContact CD2-CB 3.99Å; L1386-K1391 HydrophobicContact CD2-CG 4.42Å; L1386-K1391 PolarHBondContact O-N 3.33Å; L1386-K1394 HydrophobicContact CD1-CB 3.85Å; L1386-K1394 HydrophobicContact CD2-CB 4.15Å; L1386-K1394 HydrophobicContact CD2-CD 4.3Å; L1386-K1394 HydrophobicContact CG-CB 4.47Å; L1386-A1395 HydrophobicContact CB-CB 3.92Å |
| 1387 | L | 87.5 | Confident | 86.2 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -39.2 | 170.1 | -77.5 | 173.1 | 0 | 0 | 0 | 111.7 | G1383 E1384 L1385 I1389 D1390 A1395 F1399 V1411 L1415 | G1383-L1387 WeakPolarHBondContact O-CG 3.48Å; G1383-L1387 PolarHBondContact O-N 3.37Å; E1384-L1387 WeakPolarHBondContact O-CB 3.28Å; E1384-L1387 PolarHBondContact O-N 3.22Å; L1385-L1387 VanDerWaalsContact C-N 3.32Å; L1385-L1387 PolarHBondContact O-N 3.34Å; L1387-I1389 PolarHBondContact O-N 2.96Å; L1387-D1390 PolarHBondContact O-N 3.13Å; L1387-A1395 HydrophobicContact CD2-CB 3.93Å; L1387-A1395 HydrophobicContact CG-CB 3.71Å; L1387-F1399 HydrophobicContact CD1-CE2 3.77Å; L1387-F1399 HydrophobicContact CD1-CZ 3.87Å; L1387-F1399 HydrophobicContact CG-CE2 4.38Å; L1387-V1411 HydrophobicContact CD1-CG2 4.13Å; L1387-V1411 HydrophobicContact CD2-CG1 3.89Å; L1387-L1415 HydrophobicContact CD2-CD1 3.5Å; L1387-L1415 VanDerWaalsContact CD2-CD1 3.5Å |
| 1388 | S | 83.7 | Confident | 86.6 | Confident | 86 Ų | 86 | 46.4 Ų | 46.4 | 60% | 0.601 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65 | -20 | 178.6 | 79.5 | 0 | 0 | 0 | 0 | 114.4 | E1384 L1385 L1386 | E1384-S1388 PolarHBondContact O-N 2.88Å; E1384-S1388 VanDerWaalsContact O-N 3.1Å; L1385-S1388 WeakPolarHBondContact O-CB 3.29Å; L1385-S1388 PolarHBondContact O-N 3.39Å; L1385-S1388 VanDerWaalsContact O-N 3.09Å; L1385-S1388 PolarHBondContact O-OG 2.96Å; L1386-S1388 VanDerWaalsContact C-N 3.31Å |
| 1389 | I | 83.6 | Confident | 87 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 12.2 | 176.5 | -37.9 | 165.4 | 0 | 0 | 0 | 111.7 | V1363 T1366 E1367 L1385 L1386 L1387 K1391 | V1363-I1389 HydrophobicContact CB-CG2 3.98Å; V1363-I1389 HydrophobicContact CG1-CG2 3.54Å; V1363-I1389 HydrophobicContact CG2-CG2 3.76Å; T1366-I1389 HydrophobicContact CG2-CD1 3.45Å; T1366-I1389 VanDerWaalsContact CG2-CD1 3.45Å; T1366-I1389 HydrophobicContact CG2-CG1 3.54Å; E1367-I1389 HydrophobicContact CB-CD1 4.15Å; L1385-I1389 WeakPolarHBondContact O-CG1 3.22Å; L1385-I1389 PolarHBondContact O-N 3.32Å; L1386-I1389 PolarHBondContact O-N 2.95Å; L1387-I1389 PolarHBondContact O-N 2.96Å; I1389-K1391 HydrophobicContact CB-CG 4.38Å; I1389-K1391 PolarHBondContact O-N 2.93Å |
| 1390 | D | 82.2 | Confident | 87 | Confident | 127 Ų | 127 | 42.9 Ų | 42.9 | 68% | 0.679 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 27.9 | -180 | -136.5 | 9.8 | 0 | 0 | 0 | 113.8 | L1386 L1387 I1392 | L1386-D1390 PolarHBondContact O-N 3.45Å; L1387-D1390 PolarHBondContact O-N 3.13Å; D1390-I1392 PolarHBondContact O-N 3.13Å |
| 1391 | K | 86.2 | Confident | 87 | Confident | 85 Ų | 85 | 43.1 Ų | 43.1 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | trans | -92.8 | 61.6 | 174.4 | -65.7 | -66.4 | -171.9 | -177.4 | 0 | 110.9 | L1386 I1389 H1393 K1394 A1395 | L1386-K1391 HydrophobicContact CB-CB 4.31Å; L1386-K1391 HydrophobicContact CD2-CB 3.99Å; L1386-K1391 HydrophobicContact CD2-CG 4.42Å; L1386-K1391 PolarHBondContact O-N 3.33Å; I1389-K1391 HydrophobicContact CB-CG 4.38Å; I1389-K1391 PolarHBondContact O-N 2.93Å; K1391-H1393 PolarHBondContact O-N 2.91Å; K1391-K1394 HydrophobicContact CB-CB 4.44Å; K1391-K1394 PolarHBondContact O-N 2.62Å; K1391-A1395 PolarHBondContact O-N 2.9Å | ||
| 1392 | I | 88.2 | Confident | 86.7 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 12% | 0.123 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.9 | -48.5 | -169.4 | -57.4 | 160.6 | 0 | 0 | 0 | 113 | D1390 K1394 A1395 I1396 V1411 L1415 E1416 | D1390-I1392 PolarHBondContact O-N 3.13Å; I1392-K1394 PolarHBondContact O-N 2.88Å; I1392-A1395 WeakPolarHBondContact O-CB 3.46Å; I1392-A1395 PolarHBondContact O-N 3.35Å; I1392-A1395 VanDerWaalsContact O-N 3.16Å; I1392-I1396 HydrophobicContact CG2-CD1 3.94Å; I1392-I1396 WeakPolarHBondContact O-CG1 3.09Å; I1392-I1396 PolarHBondContact O-N 2.86Å; I1392-V1411 HydrophobicContact CG2-CG1 3.99Å; I1392-L1415 HydrophobicContact CD1-CB 3.88Å; I1392-L1415 HydrophobicContact CG1-CB 4.22Å; I1392-L1415 HydrophobicContact CG1-CD1 4.3Å; I1392-L1415 HydrophobicContact CG2-CB 4.07Å; I1392-E1416 HydrophobicContact CD1-CB 4.49Å; I1392-E1416 HydrophobicContact CG2-CB 3.97Å |
| 1393 | H | 88.2 | Confident | 86.5 | Confident | 79 Ų | 79 | 48 Ų | 48 | 37% | 0.366 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 179.8 | -168.9 | -61.5 | 0 | 0 | 0 | 112.7 | K1391 A1395 I1396 D1397 L1419 | K1391-H1393 PolarHBondContact O-N 2.91Å; H1393-A1395 VanDerWaalsContact C-N 3.28Å; H1393-A1395 PolarHBondContact O-N 2.95Å; H1393-I1396 PolarHBondContact O-N 2.99Å; H1393-D1397 IonicContact CE1-OD1 2.97Å; H1393-D1397 IonicContact CE1-OD2 3.89Å; H1393-D1397 PolarHBondContact CE1-OD2 3.06Å; H1393-D1397 IonicContact ND1-OD1 3.38Å; H1393-D1397 IonicContact ND1-OD2 3.13Å; H1393-D1397 PolarHBondContact ND1-OD2 2.93Å; H1393-D1397 PolarHBondContact O-N 2.86Å; H1393-L1419 HydrophobicContact CB-CD1 4.04Å |
| 1394 | K | 86.9 | Confident | 86.4 | Confident | 102 Ų | 102 | 49.9 Ų | 49.9 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66 | -34.4 | 177.7 | -67 | -171 | 176.6 | -173.7 | 0 | 111.3 | E1367 L1386 K1391 I1392 D1397 A1398 | E1367-K1394 IonicContact OE1-NZ 3.05Å; E1367-K1394 PolarHBondContact OE1-NZ 2.99Å; L1386-K1394 HydrophobicContact CD1-CB 3.85Å; L1386-K1394 HydrophobicContact CD2-CB 4.15Å; L1386-K1394 HydrophobicContact CD2-CD 4.3Å; L1386-K1394 HydrophobicContact CG-CB 4.47Å; K1391-K1394 HydrophobicContact CB-CB 4.44Å; K1391-K1394 PolarHBondContact O-N 2.62Å; I1392-K1394 PolarHBondContact O-N 2.88Å; K1394-D1397 PolarHBondContact O-N 2.64Å; K1394-A1398 WeakPolarHBondContact O-CB 3.48Å; K1394-A1398 PolarHBondContact O-N 3.21Å |
| 1395 | A | 88.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1383 L1386 L1387 K1391 I1392 H1393 A1398 F1399 | G1383-A1395 WeakPolarHBondContact O-CB 3.39Å; L1386-A1395 HydrophobicContact CB-CB 3.92Å; L1387-A1395 HydrophobicContact CD2-CB 3.93Å; L1387-A1395 HydrophobicContact CG-CB 3.71Å; K1391-A1395 PolarHBondContact O-N 2.9Å; I1392-A1395 WeakPolarHBondContact O-CB 3.46Å; I1392-A1395 PolarHBondContact O-N 3.35Å; I1392-A1395 VanDerWaalsContact O-N 3.16Å; H1393-A1395 VanDerWaalsContact C-N 3.28Å; H1393-A1395 PolarHBondContact O-N 2.95Å; A1395-A1398 PolarHBondContact O-N 3Å; A1395-F1399 HydrophobicContact CB-CE2 4.21Å; A1395-F1399 WeakPolarHBondContact O-CD2 3.39Å; A1395-F1399 WeakPolarHBondContact O-CG 3.29Å; A1395-F1399 PolarHBondContact O-N 3.06Å |
| 1396 | I | 88.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.1 | -71.6 | 166.8 | 0 | 0 | 0 | 110.6 | I1392 H1393 A1398 F1399 I1400 V1411 A1412 L1419 V1423 | I1392-I1396 HydrophobicContact CG2-CD1 3.94Å; I1392-I1396 WeakPolarHBondContact O-CG1 3.09Å; I1392-I1396 PolarHBondContact O-N 2.86Å; H1393-I1396 PolarHBondContact O-N 2.99Å; I1396-A1398 VanDerWaalsContact C-N 3.32Å; I1396-A1398 PolarHBondContact O-N 3.48Å; I1396-F1399 PolarHBondContact O-N 3.32Å; I1396-I1400 HydrophobicContact CG2-CD1 3.66Å; I1396-I1400 HydrophobicContact CG2-CG1 4.23Å; I1396-I1400 WeakPolarHBondContact O-CB 3.27Å; I1396-I1400 VanDerWaalsContact O-CG1 3.26Å; I1396-I1400 WeakPolarHBondContact O-CG1 3.4Å; I1396-I1400 PolarHBondContact O-N 3.1Å; I1396-V1411 HydrophobicContact CD1-CG1 4.1Å; I1396-V1411 HydrophobicContact CG1-CB 4.33Å; I1396-V1411 HydrophobicContact CG1-CG1 3.69Å; I1396-A1412 HydrophobicContact CD1-CB 4.02Å; I1396-L1419 HydrophobicContact CD1-CB 3.87Å; I1396-L1419 HydrophobicContact CD1-CD1 3.52Å; I1396-L1419 HydrophobicContact CD1-CG 4.34Å; I1396-V1423 HydrophobicContact CG2-CG2 3.72Å |
| 1397 | D | 88.7 | Confident | 86.1 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 176.3 | -67.7 | -39.3 | 0 | 0 | 0 | 111.8 | H1393 K1394 I1400 A1401 Y1422 | H1393-D1397 IonicContact CE1-OD1 2.97Å; H1393-D1397 IonicContact CE1-OD2 3.89Å; H1393-D1397 PolarHBondContact CE1-OD2 3.06Å; H1393-D1397 IonicContact ND1-OD1 3.38Å; H1393-D1397 IonicContact ND1-OD2 3.13Å; H1393-D1397 PolarHBondContact ND1-OD2 2.93Å; H1393-D1397 PolarHBondContact O-N 2.86Å; K1394-D1397 PolarHBondContact O-N 2.64Å; D1397-I1400 PolarHBondContact O-N 3.21Å; D1397-A1401 WeakPolarHBondContact O-CB 3.42Å; D1397-A1401 PolarHBondContact O-N 3.18Å; D1397-Y1422 WeakPolarHBondContact OD1-CE1 3.23Å; D1397-Y1422 PolarHBondContact OD1-OH 3.13Å |
| 1398 | A | 87.2 | Confident | 86 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1379 K1394 A1395 I1396 A1401 G1402 | H1379-A1398 WeakPolarHBondContact CB-O 3.36Å; K1394-A1398 WeakPolarHBondContact O-CB 3.48Å; K1394-A1398 PolarHBondContact O-N 3.21Å; A1395-A1398 PolarHBondContact O-N 3Å; I1396-A1398 VanDerWaalsContact C-N 3.32Å; I1396-A1398 PolarHBondContact O-N 3.48Å; A1398-A1401 PolarHBondContact O-N 2.73Å; A1398-G1402 PolarHBondContact O-N 3.37Å |
| 1399 | F | 90.3 | Very high | 86.1 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -36.1 | 175 | -66.2 | -51 | 0 | 0 | 0 | 113.1 | E1384 L1387 A1395 I1396 G1402 E1403 N1404 K1407 A1408 V1411 | E1384-F1399 HydrophobicContact CG-CZ 4.43Å; L1387-F1399 HydrophobicContact CD1-CE2 3.77Å; L1387-F1399 HydrophobicContact CD1-CZ 3.87Å; L1387-F1399 HydrophobicContact CG-CE2 4.38Å; A1395-F1399 HydrophobicContact CB-CE2 4.21Å; A1395-F1399 WeakPolarHBondContact O-CD2 3.39Å; A1395-F1399 WeakPolarHBondContact O-CG 3.29Å; A1395-F1399 PolarHBondContact O-N 3.06Å; I1396-F1399 PolarHBondContact O-N 3.32Å; F1399-G1402 CarbonylContact O-C 2.78Å; F1399-G1402 PolarHBondContact O-N 2.82Å; F1399-E1403 PolarHBondContact O-N 3.46Å; F1399-N1404 PolarHBondContact O-N 3.37Å; F1399-K1407 HydrophobicContact CD1-CB 4.19Å; F1399-K1407 HydrophobicContact CD1-CD 4.28Å; F1399-K1407 HydrophobicContact CE1-CB 4.46Å; F1399-K1407 HydrophobicContact CE1-CD 3.93Å; F1399-K1407 HydrophobicContact CG-CB 4.26Å; F1399-K1407 HydrophobicContact CZ-CD 4.45Å; F1399-A1408 HydrophobicContact CB-CB 3.89Å; F1399-V1411 HydrophobicContact CD2-CG2 4.3Å; F1399-V1411 HydrophobicContact CE2-CG2 3.89Å |
| 1400 | I | 88 | Confident | 86.2 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 173.7 | -70 | 168.9 | 0 | 0 | 0 | 109.9 | I1396 D1397 G1402 E1403 W1405 A1408 Y1422 V1423 | I1396-I1400 HydrophobicContact CG2-CD1 3.66Å; I1396-I1400 HydrophobicContact CG2-CG1 4.23Å; I1396-I1400 WeakPolarHBondContact O-CB 3.27Å; I1396-I1400 VanDerWaalsContact O-CG1 3.26Å; I1396-I1400 WeakPolarHBondContact O-CG1 3.4Å; I1396-I1400 PolarHBondContact O-N 3.1Å; D1397-I1400 PolarHBondContact O-N 3.21Å; I1400-G1402 VanDerWaalsContact C-N 3.31Å; I1400-G1402 PolarHBondContact O-N 2.76Å; I1400-E1403 PolarHBondContact O-N 3.03Å; I1400-W1405 HydrophobicContact CG1-CZ3 4.18Å; I1400-W1405 HydrophobicContact CG2-CH2 3.91Å; I1400-W1405 HydrophobicContact CG2-CZ3 4.03Å; I1400-A1408 HydrophobicContact CG1-CB 4.19Å; I1400-Y1422 HydrophobicContact CD1-CD1 4.31Å; I1400-Y1422 HydrophobicContact CD1-CE1 3.82Å; I1400-V1423 HydrophobicContact CD1-CG2 4.4Å |
| 1401 | A | 85.3 | Confident | 86.3 | Confident | 61 Ų | 61 | 47.3 Ų | 47.3 | 50% | 0.504 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1397 A1398 E1403 | D1397-A1401 WeakPolarHBondContact O-CB 3.42Å; D1397-A1401 PolarHBondContact O-N 3.18Å; A1398-A1401 PolarHBondContact O-N 2.73Å; A1401-E1403 VanDerWaalsContact C-N 3.26Å; A1401-E1403 PolarHBondContact O-N 3.49Å |
| 1402 | G | 80.7 | Confident | 86.3 | Confident | 34 Ų | 34 | 43.2 Ų | 43.2 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 13.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1398 F1399 I1400 N1404 | A1398-G1402 PolarHBondContact O-N 3.37Å; F1399-G1402 CarbonylContact O-C 2.78Å; F1399-G1402 PolarHBondContact O-N 2.82Å; I1400-G1402 VanDerWaalsContact C-N 3.31Å; I1400-G1402 PolarHBondContact O-N 2.76Å; G1402-N1404 PolarHBondContact O-N 3.05Å |
| 1403 | E | 82.1 | Confident | 86.2 | Confident | 116 Ų | 116 | 48.7 Ų | 48.7 | 54% | 0.542 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 19.9 | -175.6 | -61.4 | -159.8 | 137.6 | 0 | 0 | 115.5 | F1399 I1400 A1401 W1405 K1434 | F1399-E1403 PolarHBondContact O-N 3.46Å; I1400-E1403 PolarHBondContact O-N 3.03Å; A1401-E1403 VanDerWaalsContact C-N 3.26Å; A1401-E1403 PolarHBondContact O-N 3.49Å; E1403-W1405 VanDerWaalsContact C-N 3.32Å; E1403-W1405 PolarHBondContact O-N 3.41Å; E1403-W1405 VanDerWaalsContact O-N 3.09Å; E1403-K1434 IonicContact OE1-NZ 3.66Å; E1403-K1434 PolarHBondContact OE1-NZ 3.04Å; E1403-K1434 IonicContact OE2-NZ 3.42Å |
| 1404 | N | 85.4 | Confident | 86 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | trans | -91.7 | 64.8 | -178 | -155 | -25.4 | 0 | 0 | 0 | 111.1 | F1399 G1402 S1406 K1407 A1408 | F1399-N1404 PolarHBondContact O-N 3.37Å; G1402-N1404 PolarHBondContact O-N 3.05Å; N1404-S1406 PolarHBondContact O-N 3Å; N1404-S1406 PolarHBondContact OD1-OG 2.81Å; N1404-K1407 HydrophobicContact CB-CB 4.43Å; N1404-K1407 PolarHBondContact O-N 3.03Å; N1404-K1407 PolarHBondContact OD1-N 2.81Å; N1404-A1408 PolarHBondContact O-N 2.77Å | ||
| 1405 | W | 86.3 | Confident | 85.9 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 21% | 0.208 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -30.7 | -174.8 | -58 | 98.8 | 0 | 0 | 0 | 113.5 | I1400 E1403 K1409 V1423 K1426 Y1427 A1430 | I1400-W1405 HydrophobicContact CG1-CZ3 4.18Å; I1400-W1405 HydrophobicContact CG2-CH2 3.91Å; I1400-W1405 HydrophobicContact CG2-CZ3 4.03Å; E1403-W1405 VanDerWaalsContact C-N 3.32Å; E1403-W1405 PolarHBondContact O-N 3.41Å; E1403-W1405 VanDerWaalsContact O-N 3.09Å; W1405-K1409 VanDerWaalsContact O-CB 3.24Å; W1405-K1409 WeakPolarHBondContact O-CB 3.49Å; W1405-K1409 PolarHBondContact O-N 3.39Å; W1405-V1423 HydrophobicContact CE3-CG1 4.39Å; W1405-K1426 HydrophobicContact CH2-CB 4.4Å; W1405-K1426 HydrophobicContact CZ3-CB 4.14Å; W1405-Y1427 AromaticContact CD2-CD2 3.77Å; W1405-Y1427 HydrophobicContact CD2-CD2 3.77Å; W1405-Y1427 HydrophobicContact CD2-CE2 4.46Å; W1405-Y1427 AromaticContact CE3-CD2 3.96Å; W1405-Y1427 HydrophobicContact CE3-CD2 3.96Å; W1405-Y1427 HydrophobicContact CG-CD2 4.05Å; W1405-Y1427 HydrophobicContact CG-CE2 4.32Å; W1405-Y1427 HydrophobicContact CZ3-CD2 4.46Å; W1405-A1430 HydrophobicContact CH2-CB 4.05Å; W1405-A1430 HydrophobicContact CZ2-CB 3.86Å |
| 1406 | S | 85.5 | Confident | 85.6 | Confident | 87 Ų | 87 | 54.5 Ų | 54.5 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.8 | -47.3 | 177.2 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | N1404 K1409 C1410 | N1404-S1406 PolarHBondContact O-N 3Å; N1404-S1406 PolarHBondContact OD1-OG 2.81Å; S1406-K1409 PolarHBondContact O-N 2.9Å; S1406-C1410 VanDerWaalsContact O-CB 3.24Å; S1406-C1410 WeakPolarHBondContact O-CB 3.34Å; S1406-C1410 PolarHBondContact O-N 2.61Å |
| 1407 | K | 85.2 | Confident | 85.4 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 172.3 | -82.3 | -168.3 | 177.6 | -177.9 | 0 | 111.1 | E1384 F1399 N1404 K1409 C1410 V1411 | E1384-K1407 IonicContact OE1-NZ 2.8Å; E1384-K1407 PolarHBondContact OE1-NZ 2.99Å; F1399-K1407 HydrophobicContact CD1-CB 4.19Å; F1399-K1407 HydrophobicContact CD1-CD 4.28Å; F1399-K1407 HydrophobicContact CE1-CB 4.46Å; F1399-K1407 HydrophobicContact CE1-CD 3.93Å; F1399-K1407 HydrophobicContact CG-CB 4.26Å; F1399-K1407 HydrophobicContact CZ-CD 4.45Å; N1404-K1407 HydrophobicContact CB-CB 4.43Å; N1404-K1407 PolarHBondContact O-N 3.03Å; N1404-K1407 PolarHBondContact OD1-N 2.81Å; K1407-K1409 PolarHBondContact O-N 3.45Å; K1407-C1410 PolarHBondContact O-N 3.42Å; K1407-V1411 VanDerWaalsContact O-CB 3.31Å; K1407-V1411 WeakPolarHBondContact O-CB 3.36Å; K1407-V1411 WeakPolarHBondContact O-CG2 3.27Å; K1407-V1411 PolarHBondContact O-N 2.87Å |
| 1408 | A | 86 | Confident | 85.2 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1399 I1400 N1404 A1412 V1423 | F1399-A1408 HydrophobicContact CB-CB 3.89Å; I1400-A1408 HydrophobicContact CG1-CB 4.19Å; N1404-A1408 PolarHBondContact O-N 2.77Å; A1408-A1412 VanDerWaalsContact O-CB 3.23Å; A1408-A1412 WeakPolarHBondContact O-CB 3.38Å; A1408-A1412 PolarHBondContact O-N 3.07Å; A1408-V1423 HydrophobicContact CB-CG1 4.26Å; A1408-V1423 HydrophobicContact CB-CG2 4.4Å |
| 1409 | K | 84.3 | Confident | 85 | Confident | 67 Ų | 67 | 66.7 Ų | 66.7 | 29% | 0.291 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70 | -36.4 | 177.7 | -164.4 | 168.4 | -165.8 | 167.7 | 0 | 111.9 | W1405 S1406 K1407 R1413 E1420 V1423 E1424 | W1405-K1409 VanDerWaalsContact O-CB 3.24Å; W1405-K1409 WeakPolarHBondContact O-CB 3.49Å; W1405-K1409 PolarHBondContact O-N 3.39Å; S1406-K1409 PolarHBondContact O-N 2.9Å; K1407-K1409 PolarHBondContact O-N 3.45Å; K1409-R1413 VanDerWaalsContact O-CB 3.23Å; K1409-R1413 WeakPolarHBondContact O-CB 3.43Å; K1409-R1413 PolarHBondContact O-N 3.4Å; K1409-E1420 WeakPolarHBondContact CE-OE1 3.2Å; K1409-E1420 HydrophobicContact CG-CG 4.49Å; K1409-V1423 HydrophobicContact CB-CG1 4.35Å; K1409-E1424 IonicContact NZ-OE1 3.25Å; K1409-E1424 PolarHBondContact NZ-OE1 2.9Å |
| 1410 | C | 86.1 | Confident | 84.7 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 175.4 | -161.2 | 0 | 0 | 0 | 0 | 111.4 | S1406 K1407 A1412 R1413 E1414 | S1406-C1410 VanDerWaalsContact O-CB 3.24Å; S1406-C1410 WeakPolarHBondContact O-CB 3.34Å; S1406-C1410 PolarHBondContact O-N 2.61Å; K1407-C1410 PolarHBondContact O-N 3.42Å; C1410-A1412 PolarHBondContact O-N 2.91Å; C1410-R1413 PolarHBondContact O-N 3.22Å; C1410-R1413 VanDerWaalsContact O-N 3.14Å; C1410-E1414 WeakPolarHBondContact O-CB 3.46Å; C1410-E1414 WeakPolarHBondContact O-CG 3.37Å; C1410-E1414 PolarHBondContact O-N 3.3Å |
| 1411 | V | 85.7 | Confident | 84.4 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 176.7 | 168.5 | 0 | 0 | 0 | 0 | 111 | L1387 I1392 I1396 F1399 K1407 R1413 L1415 | L1387-V1411 HydrophobicContact CD1-CG2 4.13Å; L1387-V1411 HydrophobicContact CD2-CG1 3.89Å; I1392-V1411 HydrophobicContact CG2-CG1 3.99Å; I1396-V1411 HydrophobicContact CD1-CG1 4.1Å; I1396-V1411 HydrophobicContact CG1-CB 4.33Å; I1396-V1411 HydrophobicContact CG1-CG1 3.69Å; F1399-V1411 HydrophobicContact CD2-CG2 4.3Å; F1399-V1411 HydrophobicContact CE2-CG2 3.89Å; K1407-V1411 VanDerWaalsContact O-CB 3.31Å; K1407-V1411 WeakPolarHBondContact O-CB 3.36Å; K1407-V1411 WeakPolarHBondContact O-CG2 3.27Å; K1407-V1411 PolarHBondContact O-N 2.87Å; V1411-R1413 VanDerWaalsContact C-N 3.34Å; V1411-R1413 PolarHBondContact O-N 3.39Å; V1411-L1415 HydrophobicContact CG1-CD1 4.24Å; V1411-L1415 WeakPolarHBondContact O-CB 3.39Å; V1411-L1415 PolarHBondContact O-N 2.83Å |
| 1412 | A | 85.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1396 A1408 C1410 E1416 P1417 L1419 E1420 V1423 | I1396-A1412 HydrophobicContact CD1-CB 4.02Å; A1408-A1412 VanDerWaalsContact O-CB 3.23Å; A1408-A1412 WeakPolarHBondContact O-CB 3.38Å; A1408-A1412 PolarHBondContact O-N 3.07Å; C1410-A1412 PolarHBondContact O-N 2.91Å; A1412-E1416 CarbonylContact O-C 3.49Å; A1412-E1416 PolarHBondContact O-N 2.88Å; A1412-P1417 WeakPolarHBondContact O-CA 3.43Å; A1412-L1419 HydrophobicContact CB-CB 4.31Å; A1412-E1420 HydrophobicContact CB-CB 4.39Å; A1412-V1423 HydrophobicContact CB-CG2 4.06Å |
| 1413 | R | 85.3 | Confident | 84.6 | Confident | 138 Ų | 138 | 70.1 Ų | 70.1 | 52% | 0.521 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.4 | -39.3 | -179.5 | -171.6 | 178.5 | -61.1 | 153.5 | 4 | 113.5 | K1409 C1410 V1411 E1420 | K1409-R1413 VanDerWaalsContact O-CB 3.23Å; K1409-R1413 WeakPolarHBondContact O-CB 3.43Å; K1409-R1413 PolarHBondContact O-N 3.4Å; C1410-R1413 PolarHBondContact O-N 3.22Å; C1410-R1413 VanDerWaalsContact O-N 3.14Å; V1411-R1413 VanDerWaalsContact C-N 3.34Å; V1411-R1413 PolarHBondContact O-N 3.39Å; R1413-E1420 IonicContact CZ-OE1 2.81Å; R1413-E1420 IonicContact NE-OE1 3.08Å; R1413-E1420 PolarHBondContact NE-OE1 3.12Å; R1413-E1420 IonicContact NH2-OE1 2.73Å; R1413-E1420 PolarHBondContact NH2-OE1 2.88Å; R1413-E1420 VanDerWaalsContact NH2-OE1 3.08Å |
| 1414 | E | 84.7 | Confident | 84.6 | Confident | 147 Ų | 147 | 68.3 Ų | 68.3 | 69% | 0.687 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -87.5 | -41.1 | -173.5 | -69.9 | -176.4 | 169 | 0 | 0 | 113.1 | C1410 | C1410-E1414 WeakPolarHBondContact O-CB 3.46Å; C1410-E1414 WeakPolarHBondContact O-CG 3.37Å; C1410-E1414 PolarHBondContact O-N 3.3Å |
| 1415 | L | 83.8 | Confident | 84.5 | Confident | 93 Ų | 93 | 68.7 Ų | 68.7 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -40.6 | -173.7 | -60.5 | 179.7 | 0 | 0 | 0 | 113.2 | L1387 I1392 V1411 | L1387-L1415 HydrophobicContact CD2-CD1 3.5Å; L1387-L1415 VanDerWaalsContact CD2-CD1 3.5Å; I1392-L1415 HydrophobicContact CD1-CB 3.88Å; I1392-L1415 HydrophobicContact CG1-CB 4.22Å; I1392-L1415 HydrophobicContact CG1-CD1 4.3Å; I1392-L1415 HydrophobicContact CG2-CB 4.07Å; V1411-L1415 HydrophobicContact CG1-CD1 4.24Å; V1411-L1415 WeakPolarHBondContact O-CB 3.39Å; V1411-L1415 PolarHBondContact O-N 2.83Å |
| 1416 | E | 83.2 | Confident | 84.4 | Confident | 64 Ų | 64 | 69.6 Ų | 69.6 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | trans | -144.4 | 80.3 | -178.7 | -165.3 | 165.6 | -166.2 | 0 | 0 | 113.6 | I1392 A1412 R1418 L1419 | I1392-E1416 HydrophobicContact CD1-CB 4.49Å; I1392-E1416 HydrophobicContact CG2-CB 3.97Å; A1412-E1416 CarbonylContact O-C 3.49Å; A1412-E1416 PolarHBondContact O-N 2.88Å; E1416-R1418 PolarHBondContact O-N 3.34Å; E1416-L1419 HydrophobicContact CB-CD1 4.19Å; E1416-L1419 HydrophobicContact CB-CG 4.48Å; E1416-L1419 HydrophobicContact CG-CD1 4.09Å; E1416-L1419 HydrophobicContact CG-CG 4.12Å; E1416-L1419 PolarHBondContact O-N 2.76Å; E1416-L1419 VanDerWaalsContact OE2-CD1 3.32Å; E1416-L1419 WeakPolarHBondContact OE2-CD1 3.42Å | ||
| 1417 | P | 83.6 | Confident | 84.2 | Confident | 84 Ų | 84 | 69.7 Ų | 69.7 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -56.2 | -22.4 | -172.8 | -28.2 | 33.8 | 0 | 0 | 0 | 114.9 | A1412 L1419 E1420 | A1412-P1417 WeakPolarHBondContact O-CA 3.43Å; P1417-L1419 PolarHBondContact O-N 2.82Å; P1417-E1420 WeakPolarHBondContact O-CB 3.45Å; P1417-E1420 PolarHBondContact O-N 2.87Å; P1417-E1420 VanDerWaalsContact O-N 3.17Å |
| 1418 | R | 84.3 | Confident | 83.9 | Confident | 217 Ų | 217 | 69.3 Ų | 69.3 | 82% | 0.819 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -61.8 | -27.8 | 175.8 | -63.9 | 178.8 | -179.4 | 168.2 | 1.7 | 112.4 | E1416 | E1416-R1418 PolarHBondContact O-N 3.34Š|
| 1419 | L | 84.2 | Confident | 83.6 | Confident | 18 Ų | 18 | 74 Ų | 74 | 9% | 0.094 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -85.8 | -5.8 | 179.5 | -63.3 | 175.6 | 0 | 0 | 0 | 113 | H1393 I1396 A1412 E1416 P1417 A1421 Y1422 V1423 | H1393-L1419 HydrophobicContact CB-CD1 4.04Å; I1396-L1419 HydrophobicContact CD1-CB 3.87Å; I1396-L1419 HydrophobicContact CD1-CD1 3.52Å; I1396-L1419 HydrophobicContact CD1-CG 4.34Å; A1412-L1419 HydrophobicContact CB-CB 4.31Å; E1416-L1419 HydrophobicContact CB-CD1 4.19Å; E1416-L1419 HydrophobicContact CB-CG 4.48Å; E1416-L1419 HydrophobicContact CG-CD1 4.09Å; E1416-L1419 HydrophobicContact CG-CG 4.12Å; E1416-L1419 PolarHBondContact O-N 2.76Å; E1416-L1419 VanDerWaalsContact OE2-CD1 3.32Å; E1416-L1419 WeakPolarHBondContact OE2-CD1 3.42Å; P1417-L1419 PolarHBondContact O-N 2.82Å; L1419-A1421 VanDerWaalsContact C-N 3.29Å; L1419-A1421 PolarHBondContact O-N 2.84Å; L1419-Y1422 WeakPolarHBondContact O-CB 3.35Å; L1419-Y1422 PolarHBondContact O-N 2.87Å; L1419-V1423 WeakPolarHBondContact O-CG2 3.32Å; L1419-V1423 PolarHBondContact O-N 3.29Å |
| 1420 | E | 82.8 | Confident | 83.4 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 22% | 0.22 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 176 | -170.6 | 167.2 | -155.7 | 0 | 0 | 110.8 | K1409 A1412 R1413 P1417 Y1422 V1423 E1424 | K1409-E1420 WeakPolarHBondContact CE-OE1 3.2Å; K1409-E1420 HydrophobicContact CG-CG 4.49Å; A1412-E1420 HydrophobicContact CB-CB 4.39Å; R1413-E1420 IonicContact CZ-OE1 2.81Å; R1413-E1420 IonicContact NE-OE1 3.08Å; R1413-E1420 PolarHBondContact NE-OE1 3.12Å; R1413-E1420 IonicContact NH2-OE1 2.73Å; R1413-E1420 PolarHBondContact NH2-OE1 2.88Å; R1413-E1420 VanDerWaalsContact NH2-OE1 3.08Å; P1417-E1420 WeakPolarHBondContact O-CB 3.45Å; P1417-E1420 PolarHBondContact O-N 2.87Å; P1417-E1420 VanDerWaalsContact O-N 3.17Å; E1420-Y1422 VanDerWaalsContact C-N 3.31Å; E1420-Y1422 PolarHBondContact O-N 3.46Å; E1420-V1423 PolarHBondContact O-N 3.27Å; E1420-E1424 WeakPolarHBondContact O-CB 3.23Å; E1420-E1424 WeakPolarHBondContact O-CG 3.18Å; E1420-E1424 PolarHBondContact O-N 2.83Å |
| 1421 | A | 82.9 | Confident | 83 | Confident | 67 Ų | 67 | 69.7 Ų | 69.7 | 55% | 0.554 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.6 | -32.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1419 A1425 | L1419-A1421 VanDerWaalsContact C-N 3.29Å; L1419-A1421 PolarHBondContact O-N 2.84Å; A1421-A1425 WeakPolarHBondContact O-CB 3.39Å; A1421-A1425 PolarHBondContact O-N 3.29Å |
| 1422 | Y | 85.7 | Confident | 82.4 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 31% | 0.306 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.3 | -44.7 | 175.6 | 172.1 | -106.9 | 0 | 0 | 0 | 111.3 | D1397 I1400 L1419 E1420 E1424 A1425 K1426 | D1397-Y1422 WeakPolarHBondContact OD1-CE1 3.23Å; D1397-Y1422 PolarHBondContact OD1-OH 3.13Å; I1400-Y1422 HydrophobicContact CD1-CD1 4.31Å; I1400-Y1422 HydrophobicContact CD1-CE1 3.82Å; L1419-Y1422 WeakPolarHBondContact O-CB 3.35Å; L1419-Y1422 PolarHBondContact O-N 2.87Å; E1420-Y1422 VanDerWaalsContact C-N 3.31Å; E1420-Y1422 PolarHBondContact O-N 3.46Å; Y1422-E1424 VanDerWaalsContact C-N 3.32Å; Y1422-E1424 PolarHBondContact O-N 2.48Å; Y1422-A1425 PolarHBondContact O-N 2.86Å; Y1422-K1426 HydrophobicContact CD2-CG 4.45Å; Y1422-K1426 HydrophobicContact CE2-CG 4.06Å; Y1422-K1426 PolarHBondContact O-N 2.75Å |
| 1423 | V | 84.7 | Confident | 82 | Confident | 5 Ų | 5 | 81.2 Ų | 81.2 | 3% | 0.03 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 173.4 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | I1396 I1400 W1405 A1408 K1409 A1412 L1419 E1420 K1426 Y1427 | I1396-V1423 HydrophobicContact CG2-CG2 3.72Å; I1400-V1423 HydrophobicContact CD1-CG2 4.4Å; W1405-V1423 HydrophobicContact CE3-CG1 4.39Å; A1408-V1423 HydrophobicContact CB-CG1 4.26Å; A1408-V1423 HydrophobicContact CB-CG2 4.4Å; K1409-V1423 HydrophobicContact CB-CG1 4.35Å; A1412-V1423 HydrophobicContact CB-CG2 4.06Å; L1419-V1423 WeakPolarHBondContact O-CG2 3.32Å; L1419-V1423 PolarHBondContact O-N 3.29Å; E1420-V1423 PolarHBondContact O-N 3.27Å; V1423-K1426 PolarHBondContact O-N 3.12Å; V1423-Y1427 VanDerWaalsContact O-CB 3.23Å; V1423-Y1427 WeakPolarHBondContact O-CB 3.23Å; V1423-Y1427 PolarHBondContact O-N 3.29Å |
| 1424 | E | 82.3 | Confident | 81.4 | Confident | 78 Ų | 78 | 80 Ų | 80 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 176.9 | -75.3 | -173.6 | 169.2 | 0 | 0 | 113.1 | K1409 E1420 Y1422 Y1427 K1428 | K1409-E1424 IonicContact NZ-OE1 3.25Å; K1409-E1424 PolarHBondContact NZ-OE1 2.9Å; E1420-E1424 WeakPolarHBondContact O-CB 3.23Å; E1420-E1424 WeakPolarHBondContact O-CG 3.18Å; E1420-E1424 PolarHBondContact O-N 2.83Å; Y1422-E1424 VanDerWaalsContact C-N 3.32Å; Y1422-E1424 PolarHBondContact O-N 2.48Å; E1424-Y1427 PolarHBondContact O-N 2.93Å; E1424-K1428 VanDerWaalsContact O-CG 3.31Å; E1424-K1428 WeakPolarHBondContact O-CG 3.43Å; E1424-K1428 PolarHBondContact O-N 3.36Å |
| 1425 | A | 83.2 | Confident | 80.5 | Confident | 49 Ų | 49 | 74.8 Ų | 74.8 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1421 Y1422 Y1427 K1428 E1429 | A1421-A1425 WeakPolarHBondContact O-CB 3.39Å; A1421-A1425 PolarHBondContact O-N 3.29Å; Y1422-A1425 PolarHBondContact O-N 2.86Å; A1425-Y1427 VanDerWaalsContact C-N 3.3Å; A1425-Y1427 PolarHBondContact O-N 3.1Å; A1425-K1428 PolarHBondContact O-N 2.84Å; A1425-E1429 PolarHBondContact O-N 3.27Å |
| 1426 | K | 83.2 | Confident | 79.9 | Confident | 73 Ų | 73 | 75 Ų | 75 | 32% | 0.317 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.9 | -35.6 | 176.3 | -75.5 | -73.7 | 165.4 | -153.7 | 0 | 112.4 | W1405 Y1422 V1423 E1429 A1430 | W1405-K1426 HydrophobicContact CH2-CB 4.4Å; W1405-K1426 HydrophobicContact CZ3-CB 4.14Å; Y1422-K1426 HydrophobicContact CD2-CG 4.45Å; Y1422-K1426 HydrophobicContact CE2-CG 4.06Å; Y1422-K1426 PolarHBondContact O-N 2.75Å; V1423-K1426 PolarHBondContact O-N 3.12Å; K1426-E1429 IonicContact NZ-OE2 2.88Å; K1426-E1429 PolarHBondContact NZ-OE2 3.28Å; K1426-E1429 PolarHBondContact O-N 3.13Å; K1426-A1430 WeakPolarHBondContact O-CB 3.44Å; K1426-A1430 PolarHBondContact O-N 3.04Å |
| 1427 | Y | 82.1 | Confident | 79.2 | Confident | 90 Ų | 90 | 72.3 Ų | 72.3 | 35% | 0.353 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 173.4 | -174.2 | -111.9 | 0 | 0 | 0 | 112 | W1405 V1423 E1424 A1425 A1430 L1431 | W1405-Y1427 AromaticContact CD2-CD2 3.77Å; W1405-Y1427 HydrophobicContact CD2-CD2 3.77Å; W1405-Y1427 HydrophobicContact CD2-CE2 4.46Å; W1405-Y1427 AromaticContact CE3-CD2 3.96Å; W1405-Y1427 HydrophobicContact CE3-CD2 3.96Å; W1405-Y1427 HydrophobicContact CG-CD2 4.05Å; W1405-Y1427 HydrophobicContact CG-CE2 4.32Å; W1405-Y1427 HydrophobicContact CZ3-CD2 4.46Å; V1423-Y1427 VanDerWaalsContact O-CB 3.23Å; V1423-Y1427 WeakPolarHBondContact O-CB 3.23Å; V1423-Y1427 PolarHBondContact O-N 3.29Å; E1424-Y1427 PolarHBondContact O-N 2.93Å; A1425-Y1427 VanDerWaalsContact C-N 3.3Å; A1425-Y1427 PolarHBondContact O-N 3.1Å; Y1427-A1430 PolarHBondContact O-N 2.93Å; Y1427-L1431 HydrophobicContact CD1-CD1 3.95Å; Y1427-L1431 HydrophobicContact CD1-CG 4.48Å; Y1427-L1431 HydrophobicContact CE1-CD1 3.52Å; Y1427-L1431 HydrophobicContact CE1-CG 4.19Å; Y1427-L1431 WeakPolarHBondContact O-CG 3.46Å; Y1427-L1431 PolarHBondContact O-N 3.48Å |
| 1428 | K | 78.6 | Confident | 78.7 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 30% | 0.304 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 173.8 | -72.9 | 174.3 | -175.1 | -176.1 | 0 | 112 | E1424 A1425 L1431 K1432 V1443 | E1424-K1428 VanDerWaalsContact O-CG 3.31Å; E1424-K1428 WeakPolarHBondContact O-CG 3.43Å; E1424-K1428 PolarHBondContact O-N 3.36Å; A1425-K1428 PolarHBondContact O-N 2.84Å; K1428-L1431 PolarHBondContact O-N 2.88Å; K1428-K1432 WeakPolarHBondContact O-CG 3.23Å; K1428-K1432 PolarHBondContact O-N 2.94Å; K1428-V1443 HydrophobicContact CD-CG1 4.41Å; K1428-V1443 HydrophobicContact CG-CG1 3.97Å |
| 1429 | E | 80 | Confident | 78.1 | Confident | 98 Ų | 98 | 65.6 Ų | 65.6 | 46% | 0.458 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 174.1 | -74.9 | -178.7 | 165.2 | 0 | 0 | 111.5 | A1425 K1426 L1431 K1432 I1433 | A1425-E1429 PolarHBondContact O-N 3.27Å; K1426-E1429 IonicContact NZ-OE2 2.88Å; K1426-E1429 PolarHBondContact NZ-OE2 3.28Å; K1426-E1429 PolarHBondContact O-N 3.13Å; E1429-L1431 VanDerWaalsContact C-N 3.34Å; E1429-L1431 PolarHBondContact O-N 3.28Å; E1429-K1432 PolarHBondContact O-N 3.25Å; E1429-I1433 VanDerWaalsContact O-CG1 3.3Å; E1429-I1433 WeakPolarHBondContact O-CG1 3.46Å; E1429-I1433 PolarHBondContact O-N 3.34Å |
| 1430 | A | 79 | Confident | 77.6 | Confident | 23 Ų | 23 | 64.7 Ų | 64.7 | 19% | 0.19 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1405 K1426 Y1427 I1433 K1434 | W1405-A1430 HydrophobicContact CH2-CB 4.05Å; W1405-A1430 HydrophobicContact CZ2-CB 3.86Å; K1426-A1430 WeakPolarHBondContact O-CB 3.44Å; K1426-A1430 PolarHBondContact O-N 3.04Å; Y1427-A1430 PolarHBondContact O-N 2.93Å; A1430-I1433 PolarHBondContact O-N 3.31Å; A1430-K1434 WeakPolarHBondContact O-CB 3.35Å; A1430-K1434 WeakPolarHBondContact O-CG 3.3Å; A1430-K1434 PolarHBondContact O-N 2.91Å |
| 1431 | L | 77.3 | Confident | 76.8 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 175.6 | -72.7 | 178.6 | 0 | 0 | 0 | 112.7 | Y1427 K1428 E1429 G1435 Q1436 L1440 | Y1427-L1431 HydrophobicContact CD1-CD1 3.95Å; Y1427-L1431 HydrophobicContact CD1-CG 4.48Å; Y1427-L1431 HydrophobicContact CE1-CD1 3.52Å; Y1427-L1431 HydrophobicContact CE1-CG 4.19Å; Y1427-L1431 WeakPolarHBondContact O-CG 3.46Å; Y1427-L1431 PolarHBondContact O-N 3.48Å; K1428-L1431 PolarHBondContact O-N 2.88Å; E1429-L1431 VanDerWaalsContact C-N 3.34Å; E1429-L1431 PolarHBondContact O-N 3.28Å; L1431-G1435 PolarHBondContact O-N 3.42Å; L1431-G1435 VanDerWaalsContact O-N 3.11Å; L1431-Q1436 PolarHBondContact O-N 3.16Å; L1431-L1440 HydrophobicContact CB-CD1 4.16Å; L1431-L1440 HydrophobicContact CD1-CD1 4.3Å |
| 1432 | K | 73.8 | Confident | 76.1 | Confident | 110 Ų | 110 | 65.6 Ų | 65.6 | 48% | 0.478 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 172.9 | -75.8 | -176.2 | 178.2 | -172.5 | 0 | 111.3 | K1428 E1429 G1435 L1440 S1447 | K1428-K1432 WeakPolarHBondContact O-CG 3.23Å; K1428-K1432 PolarHBondContact O-N 2.94Å; E1429-K1432 PolarHBondContact O-N 3.25Å; K1432-G1435 PolarHBondContact O-N 3.04Å; K1432-L1440 HydrophobicContact CG-CD2 4.1Å; K1432-S1447 VanDerWaalsContact CE-OG 3.27Å; K1432-S1447 WeakPolarHBondContact CE-OG 3.5Å; K1432-S1447 PolarHBondContact NZ-OG 2.87Å |
| 1433 | I | 77.3 | Confident | 75.2 | Confident | 149 Ų | 149 | 64.9 Ų | 64.9 | 76% | 0.764 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.4 | -38.7 | 179.1 | -65.7 | 165.7 | 0 | 0 | 0 | 111.5 | E1429 A1430 G1435 | E1429-I1433 VanDerWaalsContact O-CG1 3.3Å; E1429-I1433 WeakPolarHBondContact O-CG1 3.46Å; E1429-I1433 PolarHBondContact O-N 3.34Å; A1430-I1433 PolarHBondContact O-N 3.31Å; I1433-G1435 VanDerWaalsContact C-N 3.26Å; I1433-G1435 PolarHBondContact O-N 3.49Å |
| 1434 | K | 73.8 | Confident | 74.6 | Confident | 114 Ų | 114 | 66.6 Ų | 66.6 | 50% | 0.496 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -75.9 | -8 | 175.8 | -71 | -173.9 | -179.3 | -177.9 | 0 | 113.5 | E1403 A1430 Q1436 | E1403-K1434 IonicContact OE1-NZ 3.66Å; E1403-K1434 PolarHBondContact OE1-NZ 3.04Å; E1403-K1434 IonicContact OE2-NZ 3.42Å; A1430-K1434 WeakPolarHBondContact O-CB 3.35Å; A1430-K1434 WeakPolarHBondContact O-CG 3.3Å; A1430-K1434 PolarHBondContact O-N 2.91Å; K1434-Q1436 VanDerWaalsContact C-N 3.3Å; K1434-Q1436 HydrophobicContact CB-CG 4.3Å; K1434-Q1436 PolarHBondContact O-N 3.34Å |
| 1435 | G | 65.8 | Low | 74.3 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | 19.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1431 K1432 I1433 A1437 | L1431-G1435 PolarHBondContact O-N 3.42Å; L1431-G1435 VanDerWaalsContact O-N 3.11Å; K1432-G1435 PolarHBondContact O-N 3.04Å; I1433-G1435 VanDerWaalsContact C-N 3.26Å; I1433-G1435 PolarHBondContact O-N 3.49Å; G1435-A1437 PolarHBondContact O-N 2.96Å |
| 1436 | Q | 71 | Confident | 74 | Confident | 99 Ų | 99 | 67.3 Ų | 67.3 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | trans | -88.2 | 88.4 | -174.8 | -64.5 | -177.5 | -22.6 | 0 | 0 | 111.6 | L1431 K1434 T1439 L1440 | L1431-Q1436 PolarHBondContact O-N 3.16Å; K1434-Q1436 VanDerWaalsContact C-N 3.3Å; K1434-Q1436 HydrophobicContact CB-CG 4.3Å; K1434-Q1436 PolarHBondContact O-N 3.34Å; Q1436-T1439 WeakPolarHBondContact CB-OG1 3.37Å; Q1436-T1439 PolarHBondContact O-OG1 3.46Å; Q1436-L1440 WeakPolarHBondContact O-CB 3.35Å; Q1436-L1440 PolarHBondContact O-N 3.31Å | ||
| 1437 | A | 67.8 | Low | 73.7 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 5% | 0.05 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.9 | -40 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G1435 L1440 A1441 M1451 Y1452 | G1435-A1437 PolarHBondContact O-N 2.96Å; A1437-L1440 PolarHBondContact O-N 2.98Å; A1437-A1441 PolarHBondContact O-N 3.31Å; A1437-M1451 HydrophobicContact CB-CE 3.28Å; A1437-Y1452 HydrophobicContact CB-CD1 4.14Å; A1437-Y1452 HydrophobicContact CB-CE1 3.58Å |
| 1438 | D | 72.3 | Confident | 73.6 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 55% | 0.551 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.3 | -41.6 | -175.6 | -66 | -54.7 | 0 | 0 | 0 | 111.4 | A1441 Y1452 K1460 | D1438-A1441 PolarHBondContact O-N 3.37Å; D1438-Y1452 PolarHBondContact OD1-OH 3.35Å; D1438-K1460 IonicContact OD1-NZ 3.74Å; D1438-K1460 PolarHBondContact OD1-NZ 3.33Å; D1438-K1460 IonicContact OD2-NZ 3.22Å |
| 1439 | T | 71.7 | Confident | 73.8 | Confident | 57 Ų | 57 | 57 Ų | 57 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 174.2 | 42.2 | 0 | 0 | 0 | 0 | 112 | Q1436 A1441 S1442 | Q1436-T1439 WeakPolarHBondContact CB-OG1 3.37Å; Q1436-T1439 PolarHBondContact O-OG1 3.46Å; T1439-A1441 VanDerWaalsContact C-N 3.3Å; T1439-A1441 PolarHBondContact O-N 3.07Å; T1439-S1442 PolarHBondContact O-N 3.35Å; T1439-S1442 PolarHBondContact O-OG 3.24Å |
| 1440 | L | 73.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65 | -34.6 | 175.9 | -168.7 | 65.5 | 0 | 0 | 0 | 111.7 | L1431 K1432 Q1436 A1437 S1442 V1443 D1444 A1448 M1451 | L1431-L1440 HydrophobicContact CB-CD1 4.16Å; L1431-L1440 HydrophobicContact CD1-CD1 4.3Å; K1432-L1440 HydrophobicContact CG-CD2 4.1Å; Q1436-L1440 WeakPolarHBondContact O-CB 3.35Å; Q1436-L1440 PolarHBondContact O-N 3.31Å; A1437-L1440 PolarHBondContact O-N 2.98Å; L1440-S1442 PolarHBondContact O-N 3.48Å; L1440-V1443 PolarHBondContact O-N 3.31Å; L1440-D1444 CarbonylContact O-C 3.57Å; L1440-D1444 PolarHBondContact O-N 3.42Å; L1440-A1448 HydrophobicContact CB-CB 4.38Å; L1440-A1448 HydrophobicContact CG-CB 4.44Å; L1440-M1451 HydrophobicContact CD2-CE 4.21Å |
| 1441 | A | 67.2 | Low | 73.9 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 24% | 0.24 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -32.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1437 D1438 T1439 V1443 I1445 A1448 | A1437-A1441 PolarHBondContact O-N 3.31Å; D1438-A1441 PolarHBondContact O-N 3.37Å; T1439-A1441 VanDerWaalsContact C-N 3.3Å; T1439-A1441 PolarHBondContact O-N 3.07Å; A1441-V1443 VanDerWaalsContact C-N 3.29Å; A1441-V1443 PolarHBondContact O-N 3Å; A1441-I1445 WeakPolarHBondContact O-CG1 3.25Å; A1441-A1448 VanDerWaalsContact CA-CB 3.43Å; A1441-A1448 HydrophobicContact CB-CB 3.69Å |
| 1442 | S | 67.9 | Low | 74.2 | Confident | 103 Ų | 103 | 55.3 Ų | 55.3 | 72% | 0.72 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71.9 | -21.7 | 176.2 | 73 | 0 | 0 | 0 | 0 | 114 | T1439 L1440 | T1439-S1442 PolarHBondContact O-N 3.35Å; T1439-S1442 PolarHBondContact O-OG 3.24Å; L1440-S1442 PolarHBondContact O-N 3.48Å |
| 1443 | V | 67.1 | Low | 74.6 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 38% | 0.382 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -107.8 | -41.4 | -173.3 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | K1428 L1440 A1441 | K1428-V1443 HydrophobicContact CD-CG1 4.41Å; K1428-V1443 HydrophobicContact CG-CG1 3.97Å; L1440-V1443 PolarHBondContact O-N 3.31Å; A1441-V1443 VanDerWaalsContact C-N 3.29Å; A1441-V1443 PolarHBondContact O-N 3Å |
| 1444 | D | 71.8 | Confident | 74.8 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | trans | -149.8 | 92.2 | 178.9 | -178.1 | 5.3 | 0 | 0 | 0 | 110.1 | L1440 N1446 S1447 A1448 | L1440-D1444 CarbonylContact O-C 3.57Å; L1440-D1444 PolarHBondContact O-N 3.42Å; D1444-N1446 PolarHBondContact O-N 3.4Å; D1444-N1446 PolarHBondContact OD1-N 3.12Å; D1444-S1447 PolarHBondContact O-N 3.48Å; D1444-S1447 PolarHBondContact OD1-N 3.4Å; D1444-S1447 VanDerWaalsContact OD2-CB 3.31Å; D1444-S1447 WeakPolarHBondContact OD2-CB 3.36Å; D1444-S1447 PolarHBondContact OD2-OG 3.24Å; D1444-A1448 PolarHBondContact O-N 2.8Å | ||
| 1445 | I | 75.4 | Confident | 75.1 | Confident | 74 Ų | 74 | 50 Ų | 50 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.7 | -36.9 | -179.4 | -61.9 | 164.4 | 0 | 0 | 0 | 111.7 | A1441 A1448 L1449 L1468 | A1441-I1445 WeakPolarHBondContact O-CG1 3.25Å; I1445-A1448 PolarHBondContact O-N 3.48Å; I1445-L1449 HydrophobicContact CG2-CD1 3.99Å; I1445-L1449 HydrophobicContact CG2-CG 4.24Å; I1445-L1449 WeakPolarHBondContact O-CB 3.37Å; I1445-L1449 VanDerWaalsContact O-CG 3.25Å; I1445-L1449 WeakPolarHBondContact O-CG 3.26Å; I1445-L1449 PolarHBondContact O-N 2.92Å; I1445-L1468 HydrophobicContact CD1-CD2 4.08Å; I1445-L1468 HydrophobicContact CG2-CD1 3.68Å |
| 1446 | N | 77.7 | Confident | 75.7 | Confident | 67 Ų | 67 | 50.4 Ų | 50.4 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.3 | -48.4 | -178.8 | -70.1 | -49.1 | 0 | 0 | 0 | 111.3 | D1444 A1448 L1449 D1450 R1509 | D1444-N1446 PolarHBondContact O-N 3.4Å; D1444-N1446 PolarHBondContact OD1-N 3.12Å; N1446-A1448 PolarHBondContact O-N 2.78Å; N1446-L1449 PolarHBondContact O-N 3.08Å; N1446-D1450 PolarHBondContact O-N 3.06Å; N1446-R1509 PolarHBondContact ND2-NH2 3.17Å; N1446-R1509 PolarHBondContact OD1-NE 2.98Å; N1446-R1509 VanDerWaalsContact OD1-NE 3.11Å; N1446-R1509 PolarHBondContact OD1-NH2 3.42Å |
| 1447 | S | 77.7 | Confident | 76.3 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -32.7 | 176.5 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | K1432 D1444 M1451 | K1432-S1447 VanDerWaalsContact CE-OG 3.27Å; K1432-S1447 WeakPolarHBondContact CE-OG 3.5Å; K1432-S1447 PolarHBondContact NZ-OG 2.87Å; D1444-S1447 PolarHBondContact O-N 3.48Å; D1444-S1447 PolarHBondContact OD1-N 3.4Å; D1444-S1447 VanDerWaalsContact OD2-CB 3.31Å; D1444-S1447 WeakPolarHBondContact OD2-CB 3.36Å; D1444-S1447 PolarHBondContact OD2-OG 3.24Å; S1447-M1451 WeakPolarHBondContact O-CB 3.15Å; S1447-M1451 PolarHBondContact O-N 2.87Å |
| 1448 | A | 78.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.5 | -39.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1440 A1441 D1444 I1445 N1446 M1451 Y1452 | L1440-A1448 HydrophobicContact CB-CB 4.38Å; L1440-A1448 HydrophobicContact CG-CB 4.44Å; A1441-A1448 VanDerWaalsContact CA-CB 3.43Å; A1441-A1448 HydrophobicContact CB-CB 3.69Å; D1444-A1448 PolarHBondContact O-N 2.8Å; I1445-A1448 PolarHBondContact O-N 3.48Å; N1446-A1448 PolarHBondContact O-N 2.78Å; A1448-M1451 PolarHBondContact O-N 2.82Å; A1448-Y1452 WeakPolarHBondContact O-CD2 3.36Å; A1448-Y1452 PolarHBondContact O-N 3.39Å |
| 1449 | L | 82.8 | Confident | 77.6 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 174.6 | -72.4 | 171.6 | 0 | 0 | 0 | 111.8 | I1445 N1446 M1451 Y1452 A1453 C1461 T1464 V1465 Y1513 | I1445-L1449 HydrophobicContact CG2-CD1 3.99Å; I1445-L1449 HydrophobicContact CG2-CG 4.24Å; I1445-L1449 WeakPolarHBondContact O-CB 3.37Å; I1445-L1449 VanDerWaalsContact O-CG 3.25Å; I1445-L1449 WeakPolarHBondContact O-CG 3.26Å; I1445-L1449 PolarHBondContact O-N 2.92Å; N1446-L1449 PolarHBondContact O-N 3.08Å; L1449-M1451 VanDerWaalsContact C-N 3.28Å; L1449-M1451 PolarHBondContact O-N 3.16Å; L1449-Y1452 PolarHBondContact O-N 2.92Å; L1449-A1453 PolarHBondContact O-N 3.35Å; L1449-C1461 WeakPolarHBondContact CD2-O 3.49Å; L1449-T1464 WeakPolarHBondContact CD2-OG1 3.37Å; L1449-V1465 HydrophobicContact CD1-CG2 3.68Å; L1449-V1465 HydrophobicContact CD2-CG2 3.59Å; L1449-V1465 HydrophobicContact CG-CG2 4.3Å; L1449-Y1513 HydrophobicContact CB-CE1 4.28Å; L1449-Y1513 HydrophobicContact CB-CE2 4.06Å; L1449-Y1513 WeakPolarHBondContact CB-OH 3.41Å; L1449-Y1513 HydrophobicContact CD1-CE2 3.92Å |
| 1450 | D | 82.1 | Confident | 78.1 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 35% | 0.348 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 174.9 | -71.8 | -33.3 | 0 | 0 | 0 | 110.3 | N1446 A1453 E1454 K1512 Y1513 | N1446-D1450 PolarHBondContact O-N 3.06Å; D1450-A1453 WeakPolarHBondContact O-CB 3.29Å; D1450-A1453 PolarHBondContact O-N 2.94Å; D1450-E1454 WeakPolarHBondContact O-CG 2.87Å; D1450-E1454 PolarHBondContact O-N 3.23Å; D1450-K1512 IonicContact OD1-NZ 3.77Å; D1450-Y1513 PolarHBondContact OD1-OH 2.66Å |
| 1451 | M | 79.2 | Confident | 78.6 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.6 | -32.8 | 176.1 | -162.5 | 162.6 | 73.9 | 0 | 0 | 113.2 | A1437 L1440 S1447 A1448 L1449 Q1455 | A1437-M1451 HydrophobicContact CB-CE 3.28Å; L1440-M1451 HydrophobicContact CD2-CE 4.21Å; S1447-M1451 WeakPolarHBondContact O-CB 3.15Å; S1447-M1451 PolarHBondContact O-N 2.87Å; A1448-M1451 PolarHBondContact O-N 2.82Å; L1449-M1451 VanDerWaalsContact C-N 3.28Å; L1449-M1451 PolarHBondContact O-N 3.16Å; M1451-Q1455 WeakPolarHBondContact O-CB 3.47Å; M1451-Q1455 VanDerWaalsContact O-CG 3.23Å; M1451-Q1455 WeakPolarHBondContact O-CG 2.81Å; M1451-Q1455 PolarHBondContact O-N 2.86Å |
| 1452 | Y | 83 | Confident | 79.4 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 3% | 0.027 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 170.7 | -72.8 | -45.2 | 0 | 0 | 0 | 112 | A1437 D1438 A1448 L1449 G1456 K1457 K1460 T1464 | A1437-Y1452 HydrophobicContact CB-CD1 4.14Å; A1437-Y1452 HydrophobicContact CB-CE1 3.58Å; D1438-Y1452 PolarHBondContact OD1-OH 3.35Å; A1448-Y1452 WeakPolarHBondContact O-CD2 3.36Å; A1448-Y1452 PolarHBondContact O-N 3.39Å; L1449-Y1452 PolarHBondContact O-N 2.92Å; Y1452-G1456 PolarHBondContact O-N 2.93Å; Y1452-K1457 HydrophobicContact CD1-CB 4.48Å; Y1452-K1457 HydrophobicContact CD1-CD 4.43Å; Y1452-K1457 PolarHBondContact O-N 3.32Å; Y1452-K1460 HydrophobicContact CD1-CD 4.2Å; Y1452-K1460 HydrophobicContact CE1-CD 3.66Å; Y1452-K1460 HydrophobicContact CE1-CG 4.26Å; Y1452-K1460 VanDerWaalsContact OH-CE 3.31Å; Y1452-K1460 WeakPolarHBondContact OH-CE 3.5Å; Y1452-K1460 PolarHBondContact OH-NZ 2.81Å; Y1452-T1464 HydrophobicContact CE2-CG2 4.25Å |
| 1453 | A | 81.9 | Confident | 80.2 | Confident | 17 Ų | 17 | 52 Ų | 52 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1449 D1450 Q1455 G1456 W1458 Y1513 | L1449-A1453 PolarHBondContact O-N 3.35Å; D1450-A1453 WeakPolarHBondContact O-CB 3.29Å; D1450-A1453 PolarHBondContact O-N 2.94Å; A1453-Q1455 PolarHBondContact O-N 2.79Å; A1453-G1456 PolarHBondContact O-N 2.96Å; A1453-G1456 VanDerWaalsContact O-N 3.1Å; A1453-W1458 HydrophobicContact CB-CE3 4.28Å; A1453-W1458 HydrophobicContact CB-CH2 3.75Å; A1453-W1458 HydrophobicContact CB-CZ2 4.5Å; A1453-W1458 HydrophobicContact CB-CZ3 3.62Å; A1453-Y1513 HydrophobicContact CB-CD1 4.43Å; A1453-Y1513 HydrophobicContact CB-CE1 4.47Å |
| 1454 | E | 81.6 | Confident | 81 | Confident | 168 Ų | 168 | 50.3 Ų | 50.3 | 79% | 0.785 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.8 | -36 | 176.4 | -73.4 | 177.2 | 178.3 | 0 | 0 | 112.9 | D1450 G1456 | D1450-E1454 WeakPolarHBondContact O-CG 2.87Å; D1450-E1454 PolarHBondContact O-N 3.23Å; E1454-G1456 PolarHBondContact O-N 2.94Å |
| 1455 | Q | 81.3 | Confident | 81.5 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 36% | 0.36 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -0.5 | 174 | -72 | -178.7 | 13.4 | 0 | 0 | 113.7 | M1451 A1453 K1457 | M1451-Q1455 WeakPolarHBondContact O-CB 3.47Å; M1451-Q1455 VanDerWaalsContact O-CG 3.23Å; M1451-Q1455 WeakPolarHBondContact O-CG 2.81Å; M1451-Q1455 PolarHBondContact O-N 2.86Å; A1453-Q1455 PolarHBondContact O-N 2.79Å; Q1455-K1457 HydrophobicContact CB-CD 4.37Å; Q1455-K1457 HydrophobicContact CB-CG 4.31Å; Q1455-K1457 PolarHBondContact O-N 3.31Å |
| 1456 | G | 79 | Confident | 81.8 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 45% | 0.454 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 10.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1452 A1453 E1454 W1458 | Y1452-G1456 PolarHBondContact O-N 2.93Å; A1453-G1456 PolarHBondContact O-N 2.96Å; A1453-G1456 VanDerWaalsContact O-N 3.1Å; E1454-G1456 PolarHBondContact O-N 2.94Å; G1456-W1458 VanDerWaalsContact O-CD1 3.28Å; G1456-W1458 PolarHBondContact O-N 2.94Å |
| 1457 | K | 83.1 | Confident | 82 | Confident | 105 Ų | 105 | 50.9 Ų | 50.9 | 46% | 0.457 | 26% | 0.259 | S | S | . | . | trans | -85.4 | 57.6 | 179.3 | -66.5 | 176.8 | -177.8 | 160.1 | 0 | 110.8 | Y1452 Q1455 E1459 K1460 C1461 | Y1452-K1457 HydrophobicContact CD1-CB 4.48Å; Y1452-K1457 HydrophobicContact CD1-CD 4.43Å; Y1452-K1457 PolarHBondContact O-N 3.32Å; Q1455-K1457 HydrophobicContact CB-CD 4.37Å; Q1455-K1457 HydrophobicContact CB-CG 4.31Å; Q1455-K1457 PolarHBondContact O-N 3.31Å; K1457-E1459 VanDerWaalsContact C-N 3.34Å; K1457-E1459 PolarHBondContact O-N 3.2Å; K1457-K1460 HydrophobicContact CB-CB 4.3Å; K1457-K1460 PolarHBondContact O-N 3.02Å; K1457-C1461 PolarHBondContact O-N 2.94Å | ||
| 1458 | W | 84.6 | Confident | 82.2 | Confident | 35 Ų | 35 | 51.5 Ų | 51.5 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -38.6 | -173.4 | -64.9 | 104.9 | 0 | 0 | 0 | 113.8 | A1453 G1456 K1460 C1461 L1462 A1516 Y1517 N1520 | A1453-W1458 HydrophobicContact CB-CE3 4.28Å; A1453-W1458 HydrophobicContact CB-CH2 3.75Å; A1453-W1458 HydrophobicContact CB-CZ2 4.5Å; A1453-W1458 HydrophobicContact CB-CZ3 3.62Å; G1456-W1458 VanDerWaalsContact O-CD1 3.28Å; G1456-W1458 PolarHBondContact O-N 2.94Å; W1458-K1460 PolarHBondContact O-N 3.14Å; W1458-C1461 WeakPolarHBondContact O-CB 3.32Å; W1458-C1461 PolarHBondContact O-N 2.73Å; W1458-L1462 WeakPolarHBondContact O-CG 3.38Å; W1458-L1462 PolarHBondContact O-N 2.91Å; W1458-A1516 HydrophobicContact CH2-CB 4.03Å; W1458-A1516 HydrophobicContact CZ3-CB 4.02Å; W1458-Y1517 HydrophobicContact CB-CD1 4.4Å; W1458-Y1517 HydrophobicContact CB-CD2 3.68Å; W1458-Y1517 HydrophobicContact CB-CE1 4.46Å; W1458-Y1517 HydrophobicContact CB-CE2 3.76Å; W1458-Y1517 HydrophobicContact CB-CG 4.04Å; W1458-Y1517 AromaticContact CD1-CD2 3.6Å; W1458-Y1517 AromaticContact CD1-CE2 3.66Å; W1458-Y1517 AromaticContact CD2-CD2 3.61Å; W1458-Y1517 HydrophobicContact CD2-CD2 3.61Å; W1458-Y1517 HydrophobicContact CD2-CE2 4.4Å; W1458-Y1517 HydrophobicContact CD2-CG 4.07Å; W1458-Y1517 HydrophobicContact CE3-CD2 4.23Å; W1458-Y1517 HydrophobicContact CE3-CG 4.25Å; W1458-Y1517 AromaticContact CG-CD2 3.32Å; W1458-Y1517 HydrophobicContact CG-CD2 3.32Å; W1458-Y1517 AromaticContact CG-CE2 3.65Å; W1458-Y1517 HydrophobicContact CG-CE2 3.65Å; W1458-Y1517 AromaticContact CG-CG 3.99Å; W1458-Y1517 HydrophobicContact CG-CG 3.99Å; W1458-N1520 HydrophobicContact CZ2-CB 4.47Å; W1458-N1520 PolarHBondContact NE1-ND2 2.83Å |
| 1459 | E | 82.1 | Confident | 82.2 | Confident | 161 Ų | 161 | 52.1 Ų | 52.1 | 75% | 0.752 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 177.1 | -65 | -177.1 | 168.5 | 0 | 0 | 111.7 | K1457 L1462 S1463 | K1457-E1459 VanDerWaalsContact C-N 3.34Å; K1457-E1459 PolarHBondContact O-N 3.2Å; E1459-L1462 PolarHBondContact O-N 2.88Å; E1459-S1463 VanDerWaalsContact O-CB 3.31Å; E1459-S1463 WeakPolarHBondContact O-CB 3.12Å; E1459-S1463 PolarHBondContact O-N 3.48Å; E1459-S1463 PolarHBondContact O-OG 2.94Å |
| 1460 | K | 81.8 | Confident | 82.1 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 177 | -162.3 | 171.3 | 179.3 | -173.6 | 0 | 110.3 | D1438 Y1452 K1457 W1458 L1462 S1463 T1464 | D1438-K1460 IonicContact OD1-NZ 3.74Å; D1438-K1460 PolarHBondContact OD1-NZ 3.33Å; D1438-K1460 IonicContact OD2-NZ 3.22Å; Y1452-K1460 HydrophobicContact CD1-CD 4.2Å; Y1452-K1460 HydrophobicContact CE1-CD 3.66Å; Y1452-K1460 HydrophobicContact CE1-CG 4.26Å; Y1452-K1460 VanDerWaalsContact OH-CE 3.31Å; Y1452-K1460 WeakPolarHBondContact OH-CE 3.5Å; Y1452-K1460 PolarHBondContact OH-NZ 2.81Å; K1457-K1460 HydrophobicContact CB-CB 4.3Å; K1457-K1460 PolarHBondContact O-N 3.02Å; W1458-K1460 PolarHBondContact O-N 3.14Å; K1460-L1462 PolarHBondContact O-N 3Å; K1460-S1463 WeakPolarHBondContact CA-OG 3.44Å; K1460-S1463 PolarHBondContact O-N 2.93Å; K1460-S1463 PolarHBondContact O-OG 3.36Å; K1460-T1464 PolarHBondContact O-N 3.36Å; K1460-T1464 PolarHBondContact O-OG1 3.42Å |
| 1461 | C | 84.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.7 | -51.2 | 175.7 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | L1449 K1457 W1458 T1464 V1465 | L1449-C1461 WeakPolarHBondContact CD2-O 3.49Å; K1457-C1461 PolarHBondContact O-N 2.94Å; W1458-C1461 WeakPolarHBondContact O-CB 3.32Å; W1458-C1461 PolarHBondContact O-N 2.73Å; C1461-T1464 WeakPolarHBondContact CA-OG1 3.26Å; C1461-T1464 PolarHBondContact O-N 3.16Å; C1461-T1464 PolarHBondContact O-OG1 2.92Å; C1461-V1465 WeakPolarHBondContact O-CG2 3.3Å; C1461-V1465 PolarHBondContact O-N 3.4Å |
| 1462 | L | 84.9 | Confident | 81.7 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67 | -40.7 | 180 | -68.4 | 173.7 | 0 | 0 | 0 | 111.5 | W1458 E1459 K1460 T1464 V1465 E1466 L1510 V1514 Y1517 L1533 Y1537 | W1458-L1462 WeakPolarHBondContact O-CG 3.38Å; W1458-L1462 PolarHBondContact O-N 2.91Å; E1459-L1462 PolarHBondContact O-N 2.88Å; K1460-L1462 PolarHBondContact O-N 3Å; L1462-T1464 VanDerWaalsContact C-N 3.32Å; L1462-T1464 PolarHBondContact O-N 3.12Å; L1462-V1465 PolarHBondContact O-N 3.23Å; L1462-E1466 WeakPolarHBondContact O-CG 3.36Å; L1462-E1466 PolarHBondContact O-N 3.24Å; L1462-L1510 HydrophobicContact CD2-CD1 4.11Å; L1462-V1514 HydrophobicContact CD2-CG2 3.72Å; L1462-Y1517 HydrophobicContact CD1-CD1 4.1Å; L1462-L1533 HydrophobicContact CD1-CD1 4.3Å; L1462-Y1537 HydrophobicContact CD1-CE2 3.94Å |
| 1463 | S | 83.8 | Confident | 81.2 | Confident | 44 Ų | 44 | 63 Ų | 63 | 31% | 0.308 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 176.7 | 73.2 | 0 | 0 | 0 | 0 | 112.7 | E1459 K1460 E1466 Q1467 | E1459-S1463 VanDerWaalsContact O-CB 3.31Å; E1459-S1463 WeakPolarHBondContact O-CB 3.12Å; E1459-S1463 PolarHBondContact O-N 3.48Å; E1459-S1463 PolarHBondContact O-OG 2.94Å; K1460-S1463 WeakPolarHBondContact CA-OG 3.44Å; K1460-S1463 PolarHBondContact O-N 2.93Å; K1460-S1463 PolarHBondContact O-OG 3.36Å; S1463-E1466 PolarHBondContact O-N 2.89Å; S1463-Q1467 WeakPolarHBondContact O-CG 3.49Å; S1463-Q1467 PolarHBondContact O-N 2.92Å |
| 1464 | T | 83.7 | Confident | 80.6 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 17% | 0.172 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 176.5 | 42.9 | 0 | 0 | 0 | 0 | 112.3 | L1449 Y1452 K1460 C1461 L1462 L1468 | L1449-T1464 WeakPolarHBondContact CD2-OG1 3.37Å; Y1452-T1464 HydrophobicContact CE2-CG2 4.25Å; K1460-T1464 PolarHBondContact O-N 3.36Å; K1460-T1464 PolarHBondContact O-OG1 3.42Å; C1461-T1464 WeakPolarHBondContact CA-OG1 3.26Å; C1461-T1464 PolarHBondContact O-N 3.16Å; C1461-T1464 PolarHBondContact O-OG1 2.92Å; L1462-T1464 VanDerWaalsContact C-N 3.32Å; L1462-T1464 PolarHBondContact O-N 3.12Å; T1464-L1468 WeakPolarHBondContact O-CG 3.3Å; T1464-L1468 PolarHBondContact O-N 2.81Å |
| 1465 | V | 82.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.9 | -37.1 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | L1449 C1461 L1462 Q1467 L1468 L1469 R1509 L1510 Y1513 | L1449-V1465 HydrophobicContact CD1-CG2 3.68Å; L1449-V1465 HydrophobicContact CD2-CG2 3.59Å; L1449-V1465 HydrophobicContact CG-CG2 4.3Å; C1461-V1465 WeakPolarHBondContact O-CG2 3.3Å; C1461-V1465 PolarHBondContact O-N 3.4Å; L1462-V1465 PolarHBondContact O-N 3.23Å; V1465-Q1467 VanDerWaalsContact C-N 3.32Å; V1465-Q1467 PolarHBondContact O-N 2.91Å; V1465-L1468 PolarHBondContact O-N 2.82Å; V1465-L1469 PolarHBondContact O-N 2.84Å; V1465-R1509 HydrophobicContact CG1-CB 4.47Å; V1465-R1509 HydrophobicContact CG1-CG 4.24Å; V1465-R1509 HydrophobicContact CG2-CG 4.47Å; V1465-L1510 HydrophobicContact CB-CD1 4.21Å; V1465-L1510 HydrophobicContact CG1-CB 3.8Å; V1465-L1510 HydrophobicContact CG1-CD1 4.02Å; V1465-Y1513 HydrophobicContact CG2-CD2 4.01Å; V1465-Y1513 HydrophobicContact CG2-CE2 4.32Å |
| 1466 | E | 81.3 | Confident | 78.7 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 172.9 | -77.4 | 176.6 | -168.3 | 0 | 0 | 111.8 | L1462 S1463 L1469 H1470 L1510 Y1537 | L1462-E1466 WeakPolarHBondContact O-CG 3.36Å; L1462-E1466 PolarHBondContact O-N 3.24Å; S1463-E1466 PolarHBondContact O-N 2.89Å; E1466-L1469 PolarHBondContact O-N 2.95Å; E1466-H1470 WeakPolarHBondContact O-CB 3.36Å; E1466-H1470 PolarHBondContact O-N 3.46Å; E1466-L1510 HydrophobicContact CG-CD1 4.45Å; E1466-Y1537 HydrophobicContact CG-CE1 4.32Å; E1466-Y1537 WeakPolarHBondContact OE1-CE1 3.26Å; E1466-Y1537 VanDerWaalsContact OE1-CZ 3.25Å; E1466-Y1537 PolarHBondContact OE1-OH 3.16Å |
| 1467 | Q | 82.5 | Confident | 77.5 | Confident | 120 Ų | 120 | 66.7 Ų | 66.7 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.6 | -46.5 | 174.9 | -76.5 | 175.3 | -6.8 | 0 | 0 | 111.7 | S1463 V1465 L1469 H1470 E1471 | S1463-Q1467 WeakPolarHBondContact O-CG 3.49Å; S1463-Q1467 PolarHBondContact O-N 2.92Å; V1465-Q1467 VanDerWaalsContact C-N 3.32Å; V1465-Q1467 PolarHBondContact O-N 2.91Å; Q1467-L1469 VanDerWaalsContact C-N 3.34Å; Q1467-L1469 PolarHBondContact O-N 3.35Å; Q1467-H1470 WeakPolarHBondContact O-CB 3.43Å; Q1467-H1470 PolarHBondContact O-N 2.9Å; Q1467-H1470 VanDerWaalsContact O-N 3.14Å; Q1467-E1471 WeakPolarHBondContact O-CG 3.42Å; Q1467-E1471 PolarHBondContact O-N 2.88Å |
| 1468 | L | 81.9 | Confident | 75.8 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | 176.5 | -63.8 | 167.2 | 0 | 0 | 0 | 112.3 | I1445 T1464 V1465 H1470 E1471 A1472 | I1445-L1468 HydrophobicContact CD1-CD2 4.08Å; I1445-L1468 HydrophobicContact CG2-CD1 3.68Å; T1464-L1468 WeakPolarHBondContact O-CG 3.3Å; T1464-L1468 PolarHBondContact O-N 2.81Å; V1465-L1468 PolarHBondContact O-N 2.82Å; L1468-H1470 VanDerWaalsContact C-N 3.31Å; L1468-H1470 PolarHBondContact O-N 3.41Å; L1468-E1471 PolarHBondContact O-N 2.81Å; L1468-A1472 WeakPolarHBondContact O-CB 3.41Å; L1468-A1472 PolarHBondContact O-N 2.8Å |
| 1469 | L | 79.2 | Confident | 73.9 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 175.9 | -174.8 | 69 | 0 | 0 | 0 | 111.2 | V1465 E1466 Q1467 A1472 K1473 V1503 E1506 Y1507 L1510 | V1465-L1469 PolarHBondContact O-N 2.84Å; E1466-L1469 PolarHBondContact O-N 2.95Å; Q1467-L1469 VanDerWaalsContact C-N 3.34Å; Q1467-L1469 PolarHBondContact O-N 3.35Å; L1469-A1472 PolarHBondContact O-N 2.81Å; L1469-K1473 WeakPolarHBondContact O-CB 3.22Å; L1469-K1473 VanDerWaalsContact O-CG 3.3Å; L1469-K1473 WeakPolarHBondContact O-CG 3.4Å; L1469-K1473 PolarHBondContact O-N 2.74Å; L1469-V1503 HydrophobicContact CD1-CG1 4.17Å; L1469-E1506 HydrophobicContact CB-CB 4.45Å; L1469-E1506 HydrophobicContact CD1-CB 3.85Å; L1469-Y1507 HydrophobicContact CD2-CD2 4.25Å; L1469-L1510 HydrophobicContact CD2-CD2 4.27Å |
| 1470 | H | 79.2 | Confident | 71.5 | Confident | 108 Ų | 108 | 67 Ų | 67 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.4 | -169.1 | -94.1 | 0 | 0 | 0 | 111.7 | E1466 Q1467 L1468 K1473 Q1474 | E1466-H1470 WeakPolarHBondContact O-CB 3.36Å; E1466-H1470 PolarHBondContact O-N 3.46Å; Q1467-H1470 WeakPolarHBondContact O-CB 3.43Å; Q1467-H1470 PolarHBondContact O-N 2.9Å; Q1467-H1470 VanDerWaalsContact O-N 3.14Å; L1468-H1470 VanDerWaalsContact C-N 3.31Å; L1468-H1470 PolarHBondContact O-N 3.41Å; H1470-K1473 PolarHBondContact O-N 3.37Å; H1470-Q1474 PolarHBondContact CE1-NE2 3.11Å; H1470-Q1474 PolarHBondContact ND1-NE2 3.23Å; H1470-Q1474 WeakPolarHBondContact O-CG 3.45Å; H1470-Q1474 PolarHBondContact O-N 3.02Å |
| 1471 | E | 78 | Confident | 69.3 | Low | 115 Ų | 115 | 71.5 Ų | 71.5 | 54% | 0.537 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 173 | -71.8 | 174.2 | -176.9 | 0 | 0 | 111.6 | Q1467 L1468 K1473 Q1474 S1475 | Q1467-E1471 WeakPolarHBondContact O-CG 3.42Å; Q1467-E1471 PolarHBondContact O-N 2.88Å; L1468-E1471 PolarHBondContact O-N 2.81Å; E1471-K1473 PolarHBondContact O-N 3.23Å; E1471-Q1474 PolarHBondContact O-N 3.35Å; E1471-S1475 WeakPolarHBondContact O-CB 3.39Å; E1471-S1475 PolarHBondContact O-N 2.95Å |
| 1472 | A | 75.4 | Confident | 66.8 | Low | 12 Ų | 12 | 80.7 Ų | 80.7 | 10% | 0.099 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1468 L1469 S1475 A1476 V1503 E1506 | L1468-A1472 WeakPolarHBondContact O-CB 3.41Å; L1468-A1472 PolarHBondContact O-N 2.8Å; L1469-A1472 PolarHBondContact O-N 2.81Å; A1472-S1475 PolarHBondContact O-N 3.42Å; A1472-S1475 PolarHBondContact O-OG 2.84Å; A1472-A1476 PolarHBondContact O-N 3.19Å; A1472-A1476 VanDerWaalsContact O-N 3.17Å; A1472-V1503 HydrophobicContact CB-CG2 4.32Å; A1472-E1506 HydrophobicContact CB-CG 4.28Å |
| 1473 | K | 71.7 | Confident | 64.4 | Low | 87 Ų | 87 | 88.2 Ų | 88.2 | 38% | 0.378 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 175.3 | -76.2 | 175.7 | 178.8 | -178.9 | 0 | 112.6 | L1469 H1470 E1471 A1476 N1477 V1503 | L1469-K1473 WeakPolarHBondContact O-CB 3.22Å; L1469-K1473 VanDerWaalsContact O-CG 3.3Å; L1469-K1473 WeakPolarHBondContact O-CG 3.4Å; L1469-K1473 PolarHBondContact O-N 2.74Å; H1470-K1473 PolarHBondContact O-N 3.37Å; E1471-K1473 PolarHBondContact O-N 3.23Å; K1473-A1476 PolarHBondContact O-N 3.02Å; K1473-N1477 PolarHBondContact O-N 3.23Å; K1473-V1503 HydrophobicContact CG-CG1 4.36Å |
| 1474 | Q | 70.2 | Confident | 61.9 | Low | 118 Ų | 118 | 93.4 Ų | 93.4 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 175.9 | -76 | -173.7 | -14 | 0 | 0 | 111.8 | H1470 E1471 A1476 N1477 G1478 | H1470-Q1474 PolarHBondContact CE1-NE2 3.11Å; H1470-Q1474 PolarHBondContact ND1-NE2 3.23Å; H1470-Q1474 WeakPolarHBondContact O-CG 3.45Å; H1470-Q1474 PolarHBondContact O-N 3.02Å; E1471-Q1474 PolarHBondContact O-N 3.35Å; Q1474-A1476 VanDerWaalsContact C-N 3.27Å; Q1474-A1476 PolarHBondContact O-N 2.74Å; Q1474-N1477 PolarHBondContact O-N 2.96Å; Q1474-G1478 PolarHBondContact O-N 3.33Å |
| 1475 | S | 65.1 | Low | 59.5 | Low | 80 Ų | 80 | 99.6 Ų | 99.6 | 56% | 0.559 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -34.3 | 176.9 | 76.1 | 0 | 0 | 0 | 0 | 112.6 | E1471 A1472 | E1471-S1475 WeakPolarHBondContact O-CB 3.39Å; E1471-S1475 PolarHBondContact O-N 2.95Å; A1472-S1475 PolarHBondContact O-N 3.42Å; A1472-S1475 PolarHBondContact O-OG 2.84Å |
| 1476 | A | 57.5 | Low | 57.1 | Low | 46 Ų | 46 | 106.7 Ų | 106.7 | 38% | 0.38 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.5 | -31.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1472 K1473 Q1474 V1503 | A1472-A1476 PolarHBondContact O-N 3.19Å; A1472-A1476 VanDerWaalsContact O-N 3.17Å; K1473-A1476 PolarHBondContact O-N 3.02Å; Q1474-A1476 VanDerWaalsContact C-N 3.27Å; Q1474-A1476 PolarHBondContact O-N 2.74Å; A1476-V1503 HydrophobicContact CB-CG2 4.46Å |
| 1477 | N | 53.6 | Low | 54.7 | Low | 139 Ų | 139 | 111 Ų | 111 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -84.1 | -4.1 | -178.6 | -73.4 | -13 | 0 | 0 | 0 | 114.2 | K1473 Q1474 H1479 | K1473-N1477 PolarHBondContact O-N 3.23Å; Q1474-N1477 PolarHBondContact O-N 2.96Å; N1477-H1479 PolarHBondContact O-N 2.96Å |
| 1478 | G | 49 | Very low | 52 | Low | 61 Ų | 61 | 110 Ų | 110 | 63% | 0.629 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 0.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q1474 | Q1474-G1478 PolarHBondContact O-N 3.33Š|
| 1479 | H | 43.6 | Very low | 49.5 | Very low | 179 Ų | 179 | 113.9 Ų | 113.9 | 83% | 0.829 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -113.9 | 104.5 | 175.9 | -78 | 57.9 | 0 | 0 | 0 | 109.3 | N1477 | N1477-H1479 PolarHBondContact O-N 2.96Š|
| 1480 | G | 32 | Very low | 47 | Very low | 69 Ų | 69 | 121.5 Ų | 121.5 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -81.7 | 165.5 | -156.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1481 | I | 34.9 | Very low | 44.5 | Very low | 171 Ų | 171 | 119.5 Ų | 119.5 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | -161.2 | 134.3 | 112.6 | -85.6 | 152.2 | 0 | 0 | 0 | 107.7 | |||||
| 1482 | K | 33.6 | Very low | 42.1 | Very low | 193 Ų | 193 | 119.9 Ų | 119.9 | 84% | 0.839 | 70% | 0.699 | S | S | * | * | trans | -72.9 | 132.2 | 175.9 | -66.4 | 168.9 | 173.7 | 176.3 | 0 | 109.4 | ||||
| 1483 | D | 34.2 | Very low | 40 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -154.8 | 128.4 | 142.2 | -96.4 | -28.6 | 0 | 0 | 0 | 111.4 | ||||
| 1484 | N | 31.7 | Very low | 38.3 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | -78.3 | 132.9 | -179 | -70.5 | -40.4 | 0 | 0 | 0 | 110 | ||||
| 1485 | N | 33.3 | Very low | 36.7 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | -164.6 | 126.6 | 125.9 | -97.7 | -24.5 | 0 | 0 | 0 | 112.7 | |||||
| 1486 | N | 30.8 | Very low | 35.4 | Very low | 148 Ų | 148 | 127 Ų | 127 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -51 | 127.7 | 175.2 | -62.2 | -43.1 | 0 | 0 | 0 | 112.8 | ||||
| 1487 | N | 31.2 | Very low | 34.6 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | -161.7 | 113.5 | 128.9 | -93.3 | -23.9 | 0 | 0 | 0 | 110 | |||||
| 1488 | A | 26.3 | Very low | 34 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | trans | -76.7 | 129.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1489 | S | 28.5 | Very low | 33.9 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 167 | 112.3 | 137.8 | 40.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1490 | N | 26.8 | Very low | 34.5 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 94% | 0.936 | 73% | 0.73 | S | S | * | * | trans | 36.8 | 98.3 | 150.1 | -60.2 | -12.7 | 0 | 0 | 0 | 119.5 | ||||
| 1491 | G | 26.8 | Very low | 35.7 | Very low | 66 Ų | 66 | 123.8 Ų | 123.8 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | trans | 164.9 | 125.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1492 | N | 28.3 | Very low | 37.4 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 66% | 0.658 | 71% | 0.708 | S | S | * | * | trans | 69.1 | 89.1 | 159 | -55.9 | -19.6 | 0 | 0 | 0 | 118.7 | ||||
| 1493 | I | 30.9 | Very low | 39.3 | Very low | 145 Ų | 145 | 111.6 Ų | 111.6 | 74% | 0.744 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -96.5 | 1.4 | 171.9 | -70.4 | 171.5 | 0 | 0 | 0 | 113 | ||
| 1494 | T | 36 | Very low | 41.1 | Very low | 89 Ų | 89 | 108.1 Ų | 108.1 | 55% | 0.546 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -93.3 | -6 | -173.4 | 40.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1495 | T | 36.6 | Very low | 43.1 | Very low | 97 Ų | 97 | 107 Ų | 107 | 60% | 0.595 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -100.7 | 2 | -168.5 | 39.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1496 | T | 38 | Very low | 45.3 | Very low | 116 Ų | 116 | 101.1 Ų | 101.1 | 71% | 0.712 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -126.4 | 6.3 | -175.4 | 48.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1497 | L | 39.7 | Very low | 47.6 | Very low | 79 Ų | 79 | 98.2 Ų | 98.2 | 41% | 0.414 | 59% | 0.586 | S | S | . | * | trans | -100.6 | 11.4 | -173.4 | -79.1 | 155.5 | 0 | 0 | 0 | 115.4 | S1499 V1503 | L1497-S1499 VanDerWaalsContact C-N 3.28Å; L1497-S1499 PolarHBondContact O-N 3.48Å; L1497-V1503 HydrophobicContact CD2-CG1 4.37Å | ||
| 1498 | S | 42.6 | Very low | 49.9 | Very low | 112 Ų | 112 | 94.9 Ų | 94.9 | 78% | 0.783 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 10.7 | -171.5 | 59 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1499 | S | 45.9 | Very low | 52.6 | Low | 109 Ų | 109 | 93.4 Ų | 93.4 | 76% | 0.762 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -7.8 | -171.7 | 56.6 | 0 | 0 | 0 | 0 | 116.2 | L1497 | L1497-S1499 VanDerWaalsContact C-N 3.28Å; L1497-S1499 PolarHBondContact O-N 3.48Å |
| 1500 | S | 56 | Low | 55.3 | Low | 38 Ų | 38 | 88.4 Ų | 88.4 | 27% | 0.266 | 50% | 0.504 | S | S | . | . | trans | -122.1 | 104 | -177.5 | 23.5 | 0 | 0 | 0 | 0 | 112.5 | N1502 V1503 | S1500-N1502 PolarHBondContact O-N 3.18Å; S1500-N1502 VanDerWaalsContact O-N 3.09Å; S1500-V1503 PolarHBondContact O-N 3.28Å; S1500-V1503 VanDerWaalsContact O-N 3.1Å | ||
| 1501 | S | 58.6 | Low | 58 | Low | 87 Ų | 87 | 80.2 Ų | 80.2 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -55.5 | -28.6 | -175.3 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | K1505 | S1501-K1505 WeakPolarHBondContact O-CG 3.3Å; S1501-K1505 PolarHBondContact O-N 3.47Å |
| 1502 | N | 68.9 | Low | 60.8 | Low | 98 Ų | 98 | 83 Ų | 83 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 178.1 | -76.3 | -11.9 | 0 | 0 | 0 | 112.8 | S1500 L1504 K1505 E1506 | S1500-N1502 PolarHBondContact O-N 3.18Å; S1500-N1502 VanDerWaalsContact O-N 3.09Å; N1502-L1504 VanDerWaalsContact C-N 3.31Å; N1502-L1504 PolarHBondContact O-N 2.92Å; N1502-K1505 PolarHBondContact O-N 2.81Å; N1502-E1506 PolarHBondContact O-N 3.02Å; N1502-E1506 VanDerWaalsContact O-N 3.13Å |
| 1503 | V | 73.7 | Confident | 63.6 | Low | 10 Ų | 10 | 77.5 Ų | 77.5 | 6% | 0.061 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.2 | -38.3 | -179.7 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | L1469 A1472 K1473 A1476 L1497 S1500 E1506 Y1507 | L1469-V1503 HydrophobicContact CD1-CG1 4.17Å; A1472-V1503 HydrophobicContact CB-CG2 4.32Å; K1473-V1503 HydrophobicContact CG-CG1 4.36Å; A1476-V1503 HydrophobicContact CB-CG2 4.46Å; L1497-V1503 HydrophobicContact CD2-CG1 4.37Å; S1500-V1503 PolarHBondContact O-N 3.28Å; S1500-V1503 VanDerWaalsContact O-N 3.1Å; V1503-E1506 PolarHBondContact O-N 2.6Å; V1503-Y1507 WeakPolarHBondContact O-CB 3.33Å; V1503-Y1507 PolarHBondContact O-N 2.95Å |
| 1504 | L | 71.5 | Confident | 66.3 | Low | 93 Ų | 93 | 70.6 Ų | 70.6 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.2 | -36.2 | 179.3 | -148.5 | 140.4 | 0 | 0 | 0 | 112.2 | N1502 Y1507 Q1508 | N1502-L1504 VanDerWaalsContact C-N 3.31Å; N1502-L1504 PolarHBondContact O-N 2.92Å; L1504-Y1507 PolarHBondContact O-N 3.2Å; L1504-Q1508 WeakPolarHBondContact O-CG 3.21Å; L1504-Q1508 PolarHBondContact O-N 3.07Å |
| 1505 | K | 75.7 | Confident | 68.8 | Low | 128 Ų | 128 | 67.1 Ų | 67.1 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65 | -46.9 | 173.7 | -77.3 | 178.5 | 179.8 | 179.3 | 0 | 112.5 | S1501 N1502 Y1507 Q1508 R1509 | S1501-K1505 WeakPolarHBondContact O-CG 3.3Å; S1501-K1505 PolarHBondContact O-N 3.47Å; N1502-K1505 PolarHBondContact O-N 2.81Å; K1505-Y1507 VanDerWaalsContact C-N 3.29Å; K1505-Y1507 PolarHBondContact O-N 2.88Å; K1505-Q1508 PolarHBondContact O-N 2.74Å; K1505-R1509 PolarHBondContact O-N 3.39Å |
| 1506 | E | 78.4 | Confident | 71.2 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.6 | -33.1 | 178.1 | -63.2 | -50.8 | 141.1 | 0 | 0 | 111.7 | L1469 A1472 N1502 V1503 R1509 L1510 | L1469-E1506 HydrophobicContact CB-CB 4.45Å; L1469-E1506 HydrophobicContact CD1-CB 3.85Å; A1472-E1506 HydrophobicContact CB-CG 4.28Å; N1502-E1506 PolarHBondContact O-N 3.02Å; N1502-E1506 VanDerWaalsContact O-N 3.13Å; V1503-E1506 PolarHBondContact O-N 2.6Å; E1506-R1509 PolarHBondContact O-N 2.87Å; E1506-R1509 IonicContact OE1-CZ 3.14Å; E1506-R1509 IonicContact OE1-NH1 3.54Å; E1506-R1509 PolarHBondContact OE1-NH1 3.2Å; E1506-R1509 IonicContact OE2-CZ 3.98Å; E1506-R1509 IonicContact OE2-NH1 3.74Å; E1506-R1509 PolarHBondContact OE2-NH1 3.4Å; E1506-L1510 PolarHBondContact O-N 2.63Å |
| 1507 | Y | 78.9 | Confident | 73.6 | Confident | 87 Ų | 87 | 61.1 Ų | 61.1 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 173.6 | -164.1 | -99.6 | 0 | 0 | 0 | 112.7 | L1469 V1503 L1504 K1505 L1510 H1511 | L1469-Y1507 HydrophobicContact CD2-CD2 4.25Å; V1503-Y1507 WeakPolarHBondContact O-CB 3.33Å; V1503-Y1507 PolarHBondContact O-N 2.95Å; L1504-Y1507 PolarHBondContact O-N 3.2Å; K1505-Y1507 VanDerWaalsContact C-N 3.29Å; K1505-Y1507 PolarHBondContact O-N 2.88Å; Y1507-L1510 PolarHBondContact O-N 3.33Å; Y1507-H1511 AromaticContact CD1-CD2 3.74Å; Y1507-H1511 AromaticContact CE1-CD2 3.37Å; Y1507-H1511 WeakPolarHBondContact CE1-CD2 3.31Å; Y1507-H1511 AromaticContact CE1-NE2 3.3Å; Y1507-H1511 VanDerWaalsContact CE1-NE2 3.3Å; Y1507-H1511 WeakPolarHBondContact CE1-NE2 3.27Å; Y1507-H1511 AromaticContact CZ-CD2 3.74Å; Y1507-H1511 AromaticContact CZ-NE2 3.23Å; Y1507-H1511 PolarHBondContact O-CD2 3.3Å; Y1507-H1511 PolarHBondContact O-N 3.43Å; Y1507-H1511 PolarHBondContact OH-NE2 3.21Å; Y1507-H1511 VanDerWaalsContact OH-NE2 3.12Å |
| 1508 | Q | 80.1 | Confident | 75.9 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 45% | 0.453 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 171.8 | -75.2 | 175.4 | -6.5 | 0 | 0 | 112 | L1504 K1505 L1510 H1511 K1512 | L1504-Q1508 WeakPolarHBondContact O-CG 3.21Å; L1504-Q1508 PolarHBondContact O-N 3.07Å; K1505-Q1508 PolarHBondContact O-N 2.74Å; Q1508-L1510 VanDerWaalsContact C-N 3.34Å; Q1508-L1510 PolarHBondContact O-N 3.19Å; Q1508-H1511 PolarHBondContact O-N 2.71Å; Q1508-K1512 PolarHBondContact O-N 3Å |
| 1509 | R | 82.8 | Confident | 78 | Confident | 65 Ų | 65 | 54 Ų | 54 | 25% | 0.245 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.2 | -176.7 | -179.1 | -85 | 139.9 | -2.5 | 111.3 | N1446 V1465 K1505 E1506 K1512 Y1513 | N1446-R1509 PolarHBondContact ND2-NH2 3.17Å; N1446-R1509 PolarHBondContact OD1-NE 2.98Å; N1446-R1509 VanDerWaalsContact OD1-NE 3.11Å; N1446-R1509 PolarHBondContact OD1-NH2 3.42Å; V1465-R1509 HydrophobicContact CG1-CB 4.47Å; V1465-R1509 HydrophobicContact CG1-CG 4.24Å; V1465-R1509 HydrophobicContact CG2-CG 4.47Å; K1505-R1509 PolarHBondContact O-N 3.39Å; E1506-R1509 PolarHBondContact O-N 2.87Å; E1506-R1509 IonicContact OE1-CZ 3.14Å; E1506-R1509 IonicContact OE1-NH1 3.54Å; E1506-R1509 PolarHBondContact OE1-NH1 3.2Å; E1506-R1509 IonicContact OE2-CZ 3.98Å; E1506-R1509 IonicContact OE2-NH1 3.74Å; E1506-R1509 PolarHBondContact OE2-NH1 3.4Å; R1509-K1512 WeakPolarHBondContact O-CB 3.31Å; R1509-K1512 PolarHBondContact O-N 3.46Å; R1509-Y1513 HydrophobicContact CG-CD2 4.23Å; R1509-Y1513 HydrophobicContact CG-CE2 3.83Å; R1509-Y1513 VanDerWaalsContact O-CD2 3.23Å; R1509-Y1513 WeakPolarHBondContact O-CD2 3.47Å; R1509-Y1513 PolarHBondContact O-N 2.97Å |
| 1510 | L | 84.6 | Confident | 80 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.4 | -51.7 | 175.5 | -178.6 | 64.1 | 0 | 0 | 0 | 111.4 | L1462 V1465 E1466 L1469 E1506 Y1507 Q1508 K1512 Y1513 V1514 Y1537 | L1462-L1510 HydrophobicContact CD2-CD1 4.11Å; V1465-L1510 HydrophobicContact CB-CD1 4.21Å; V1465-L1510 HydrophobicContact CG1-CB 3.8Å; V1465-L1510 HydrophobicContact CG1-CD1 4.02Å; E1466-L1510 HydrophobicContact CG-CD1 4.45Å; L1469-L1510 HydrophobicContact CD2-CD2 4.27Å; E1506-L1510 PolarHBondContact O-N 2.63Å; Y1507-L1510 PolarHBondContact O-N 3.33Å; Q1508-L1510 VanDerWaalsContact C-N 3.34Å; Q1508-L1510 PolarHBondContact O-N 3.19Å; L1510-K1512 VanDerWaalsContact C-N 3.29Å; L1510-K1512 PolarHBondContact O-N 3.48Å; L1510-Y1513 PolarHBondContact O-N 3.13Å; L1510-Y1513 VanDerWaalsContact O-N 3.16Å; L1510-V1514 HydrophobicContact CD1-CG2 4.38Å; L1510-V1514 HydrophobicContact CG-CG2 4.33Å; L1510-V1514 WeakPolarHBondContact O-CG2 3.43Å; L1510-V1514 PolarHBondContact O-N 3.34Å; L1510-Y1537 HydrophobicContact CD1-CD1 4.17Å; L1510-Y1537 HydrophobicContact CD1-CE1 4.09Å; L1510-Y1537 HydrophobicContact CD2-CD1 4Å; L1510-Y1537 HydrophobicContact CD2-CE1 4.49Å; L1510-Y1537 HydrophobicContact CG-CD1 4.27Å |
| 1511 | H | 84.2 | Confident | 81.5 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.3 | -25.7 | -177.5 | -80.3 | -63 | 0 | 0 | 0 | 114.3 | Y1507 Q1508 A1515 Y1537 P1540 Y1542 | Y1507-H1511 AromaticContact CD1-CD2 3.74Å; Y1507-H1511 AromaticContact CE1-CD2 3.37Å; Y1507-H1511 WeakPolarHBondContact CE1-CD2 3.31Å; Y1507-H1511 AromaticContact CE1-NE2 3.3Å; Y1507-H1511 VanDerWaalsContact CE1-NE2 3.3Å; Y1507-H1511 WeakPolarHBondContact CE1-NE2 3.27Å; Y1507-H1511 AromaticContact CZ-CD2 3.74Å; Y1507-H1511 AromaticContact CZ-NE2 3.23Å; Y1507-H1511 PolarHBondContact O-CD2 3.3Å; Y1507-H1511 PolarHBondContact O-N 3.43Å; Y1507-H1511 PolarHBondContact OH-NE2 3.21Å; Y1507-H1511 VanDerWaalsContact OH-NE2 3.12Å; Q1508-H1511 PolarHBondContact O-N 2.71Å; H1511-A1515 VanDerWaalsContact O-CB 3.32Å; H1511-A1515 WeakPolarHBondContact O-CB 3.25Å; H1511-A1515 PolarHBondContact O-N 3.43Å; H1511-Y1537 PolarHBondContact CE1-O 3.11Å; H1511-Y1537 PolarHBondContact NE2-O 3.47Å; H1511-P1540 HydrophobicContact CB-CG 4.25Å; H1511-P1540 WeakPolarHBondContact CE1-CD 3.49Å; H1511-P1540 WeakPolarHBondContact ND1-CG 3.22Å; H1511-Y1542 HydrophobicContact CB-CD2 4.46Å; H1511-Y1542 HydrophobicContact CB-CE2 3.89Å |
| 1512 | K | 85.6 | Confident | 82.9 | Confident | 125 Ų | 125 | 47.3 Ų | 47.3 | 54% | 0.543 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.4 | -49.9 | 169.7 | -178.2 | -168.1 | 172.4 | -158.4 | 0 | 111.2 | D1450 Q1508 R1509 L1510 A1516 | D1450-K1512 IonicContact OD1-NZ 3.77Å; Q1508-K1512 PolarHBondContact O-N 3Å; R1509-K1512 WeakPolarHBondContact O-CB 3.31Å; R1509-K1512 PolarHBondContact O-N 3.46Å; L1510-K1512 VanDerWaalsContact C-N 3.29Å; L1510-K1512 PolarHBondContact O-N 3.48Å; K1512-A1516 PolarHBondContact O-N 3.29Å; K1512-A1516 VanDerWaalsContact O-N 3.13Å |
| 1513 | Y | 87.2 | Confident | 83.7 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -76.5 | -30.5 | -179 | -66.3 | -72 | 0 | 0 | 0 | 112.7 | L1449 D1450 A1453 V1465 R1509 L1510 A1516 Y1517 | L1449-Y1513 HydrophobicContact CB-CE1 4.28Å; L1449-Y1513 HydrophobicContact CB-CE2 4.06Å; L1449-Y1513 WeakPolarHBondContact CB-OH 3.41Å; L1449-Y1513 HydrophobicContact CD1-CE2 3.92Å; D1450-Y1513 PolarHBondContact OD1-OH 2.66Å; A1453-Y1513 HydrophobicContact CB-CD1 4.43Å; A1453-Y1513 HydrophobicContact CB-CE1 4.47Å; V1465-Y1513 HydrophobicContact CG2-CD2 4.01Å; V1465-Y1513 HydrophobicContact CG2-CE2 4.32Å; R1509-Y1513 HydrophobicContact CG-CD2 4.23Å; R1509-Y1513 HydrophobicContact CG-CE2 3.83Å; R1509-Y1513 VanDerWaalsContact O-CD2 3.23Å; R1509-Y1513 WeakPolarHBondContact O-CD2 3.47Å; R1509-Y1513 PolarHBondContact O-N 2.97Å; L1510-Y1513 PolarHBondContact O-N 3.13Å; L1510-Y1513 VanDerWaalsContact O-N 3.16Å; Y1513-A1516 PolarHBondContact O-N 3.46Å; Y1513-Y1517 WeakPolarHBondContact O-CB 3.01Å; Y1513-Y1517 PolarHBondContact O-N 3.37Å |
| 1514 | V | 87.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 170.9 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L1462 L1510 A1516 Y1517 A1518 L1533 Y1534 Y1537 | L1462-V1514 HydrophobicContact CD2-CG2 3.72Å; L1510-V1514 HydrophobicContact CD1-CG2 4.38Å; L1510-V1514 HydrophobicContact CG-CG2 4.33Å; L1510-V1514 WeakPolarHBondContact O-CG2 3.43Å; L1510-V1514 PolarHBondContact O-N 3.34Å; V1514-A1516 PolarHBondContact O-N 3.31Å; V1514-Y1517 PolarHBondContact O-N 2.83Å; V1514-A1518 VanDerWaalsContact O-CB 3.28Å; V1514-A1518 WeakPolarHBondContact O-CB 3.46Å; V1514-A1518 PolarHBondContact O-N 3Å; V1514-L1533 HydrophobicContact CG1-CD2 3.9Å; V1514-L1533 HydrophobicContact CG1-CG 3.99Å; V1514-Y1534 HydrophobicContact CG1-CE1 4.22Å; V1514-Y1537 HydrophobicContact CG1-CD2 4.38Å; V1514-Y1537 HydrophobicContact CG2-CD1 4.19Å; V1514-Y1537 HydrophobicContact CG2-CD2 3.77Å; V1514-Y1537 HydrophobicContact CG2-CE2 4.37Å; V1514-Y1537 HydrophobicContact CG2-CG 3.69Å |
| 1515 | A | 87.3 | Confident | 84.7 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1511 A1519 N1545 I1548 | H1511-A1515 VanDerWaalsContact O-CB 3.32Å; H1511-A1515 WeakPolarHBondContact O-CB 3.25Å; H1511-A1515 PolarHBondContact O-N 3.43Å; A1515-A1519 WeakPolarHBondContact O-CB 3.35Å; A1515-A1519 PolarHBondContact O-N 2.93Å; A1515-N1545 WeakPolarHBondContact CB-OD1 3.49Å; A1515-I1548 HydrophobicContact CB-CD1 4.02Å |
| 1516 | A | 87.2 | Confident | 85.2 | Confident | 41 Ų | 41 | 55 Ų | 55 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1458 K1512 Y1513 V1514 A1519 N1520 | W1458-A1516 HydrophobicContact CH2-CB 4.03Å; W1458-A1516 HydrophobicContact CZ3-CB 4.02Å; K1512-A1516 PolarHBondContact O-N 3.29Å; K1512-A1516 VanDerWaalsContact O-N 3.13Å; Y1513-A1516 PolarHBondContact O-N 3.46Å; V1514-A1516 PolarHBondContact O-N 3.31Å; A1516-A1519 PolarHBondContact O-N 3.15Å; A1516-N1520 PolarHBondContact O-N 3.45Å; A1516-N1520 VanDerWaalsContact O-N 3.1Å |
| 1517 | Y | 89 | Confident | 85.6 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 18% | 0.18 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 176.4 | -175.6 | -141.6 | 0 | 0 | 0 | 111.8 | W1458 L1462 Y1513 V1514 A1519 N1520 L1521 L1533 | W1458-Y1517 HydrophobicContact CB-CD1 4.4Å; W1458-Y1517 HydrophobicContact CB-CD2 3.68Å; W1458-Y1517 HydrophobicContact CB-CE1 4.46Å; W1458-Y1517 HydrophobicContact CB-CE2 3.76Å; W1458-Y1517 HydrophobicContact CB-CG 4.04Å; W1458-Y1517 AromaticContact CD1-CD2 3.6Å; W1458-Y1517 AromaticContact CD1-CE2 3.66Å; W1458-Y1517 AromaticContact CD2-CD2 3.61Å; W1458-Y1517 HydrophobicContact CD2-CD2 3.61Å; W1458-Y1517 HydrophobicContact CD2-CE2 4.4Å; W1458-Y1517 HydrophobicContact CD2-CG 4.07Å; W1458-Y1517 HydrophobicContact CE3-CD2 4.23Å; W1458-Y1517 HydrophobicContact CE3-CG 4.25Å; W1458-Y1517 AromaticContact CG-CD2 3.32Å; W1458-Y1517 HydrophobicContact CG-CD2 3.32Å; W1458-Y1517 AromaticContact CG-CE2 3.65Å; W1458-Y1517 HydrophobicContact CG-CE2 3.65Å; W1458-Y1517 AromaticContact CG-CG 3.99Å; W1458-Y1517 HydrophobicContact CG-CG 3.99Å; L1462-Y1517 HydrophobicContact CD1-CD1 4.1Å; Y1513-Y1517 WeakPolarHBondContact O-CB 3.01Å; Y1513-Y1517 PolarHBondContact O-N 3.37Å; V1514-Y1517 PolarHBondContact O-N 2.83Å; Y1517-A1519 VanDerWaalsContact C-N 3.33Å; Y1517-A1519 PolarHBondContact O-N 3.43Å; Y1517-N1520 WeakPolarHBondContact O-CB 3.49Å; Y1517-N1520 PolarHBondContact O-N 2.74Å; Y1517-N1520 VanDerWaalsContact O-N 3.13Å; Y1517-L1521 HydrophobicContact CD1-CD1 4.19Å; Y1517-L1521 HydrophobicContact CD2-CD1 4.31Å; Y1517-L1521 HydrophobicContact CD2-CG 4.14Å; Y1517-L1521 HydrophobicContact CE1-CD1 3.84Å; Y1517-L1521 HydrophobicContact CE2-CD1 3.96Å; Y1517-L1521 HydrophobicContact CE2-CD2 3.99Å; Y1517-L1521 HydrophobicContact CE2-CG 3.79Å; Y1517-L1521 HydrophobicContact CG-CD1 4.41Å; Y1517-L1521 WeakPolarHBondContact O-CG 3.43Å; Y1517-L1521 PolarHBondContact O-N 3.28Å; Y1517-L1533 HydrophobicContact CD1-CD1 3.66Å; Y1517-L1533 HydrophobicContact CD1-CD2 3.55Å; Y1517-L1533 HydrophobicContact CD1-CG 4.26Å; Y1517-L1533 HydrophobicContact CE1-CD1 3.91Å; Y1517-L1533 HydrophobicContact CE1-CD2 4.32Å; Y1517-L1533 HydrophobicContact CG-CD2 4.19Å |
| 1518 | A | 87.4 | Confident | 86 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.4 | -45.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | V1514 N1520 L1521 I1522 V1530 L1533 Y1534 I1548 | V1514-A1518 VanDerWaalsContact O-CB 3.28Å; V1514-A1518 WeakPolarHBondContact O-CB 3.46Å; V1514-A1518 PolarHBondContact O-N 3Å; A1518-N1520 VanDerWaalsContact C-N 3.28Å; A1518-N1520 PolarHBondContact O-N 2.94Å; A1518-L1521 PolarHBondContact O-N 2.76Å; A1518-I1522 WeakPolarHBondContact O-CG1 3.46Å; A1518-I1522 PolarHBondContact O-N 3.12Å; A1518-V1530 HydrophobicContact CB-CG1 3.64Å; A1518-L1533 HydrophobicContact CB-CD2 4.11Å; A1518-Y1534 HydrophobicContact CB-CE2 3.61Å; A1518-I1548 HydrophobicContact CB-CG2 4.17Å |
| 1519 | A | 87.8 | Confident | 86.3 | Confident | 43 Ų | 43 | 52.6 Ų | 52.6 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1515 A1516 Y1517 K1523 | A1515-A1519 WeakPolarHBondContact O-CB 3.35Å; A1515-A1519 PolarHBondContact O-N 2.93Å; A1516-A1519 PolarHBondContact O-N 3.15Å; Y1517-A1519 VanDerWaalsContact C-N 3.33Å; Y1517-A1519 PolarHBondContact O-N 3.43Å; A1519-K1523 WeakPolarHBondContact O-CG 3.33Å; A1519-K1523 PolarHBondContact O-N 2.97Å |
| 1520 | N | 87.2 | Confident | 86.6 | Confident | 59 Ų | 59 | 49.5 Ų | 49.5 | 32% | 0.316 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 175.8 | -154.7 | 33.1 | 0 | 0 | 0 | 111.6 | W1458 A1516 Y1517 A1518 I1522 K1523 D1524 | W1458-N1520 HydrophobicContact CZ2-CB 4.47Å; W1458-N1520 PolarHBondContact NE1-ND2 2.83Å; A1516-N1520 PolarHBondContact O-N 3.45Å; A1516-N1520 VanDerWaalsContact O-N 3.1Å; Y1517-N1520 WeakPolarHBondContact O-CB 3.49Å; Y1517-N1520 PolarHBondContact O-N 2.74Å; Y1517-N1520 VanDerWaalsContact O-N 3.13Å; A1518-N1520 VanDerWaalsContact C-N 3.28Å; A1518-N1520 PolarHBondContact O-N 2.94Å; N1520-I1522 PolarHBondContact O-N 2.67Å; N1520-K1523 WeakPolarHBondContact O-CB 3.04Å; N1520-K1523 PolarHBondContact O-N 2.81Å; N1520-D1524 PolarHBondContact O-N 3.04Å; N1520-D1524 VanDerWaalsContact O-N 3.15Å |
| 1521 | L | 88.2 | Confident | 86.8 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 176.6 | -70.3 | 173.3 | 0 | 0 | 0 | 113.2 | Y1517 A1518 K1523 D1524 S1525 R1526 D1529 V1530 | Y1517-L1521 HydrophobicContact CD1-CD1 4.19Å; Y1517-L1521 HydrophobicContact CD2-CD1 4.31Å; Y1517-L1521 HydrophobicContact CD2-CG 4.14Å; Y1517-L1521 HydrophobicContact CE1-CD1 3.84Å; Y1517-L1521 HydrophobicContact CE2-CD1 3.96Å; Y1517-L1521 HydrophobicContact CE2-CD2 3.99Å; Y1517-L1521 HydrophobicContact CE2-CG 3.79Å; Y1517-L1521 HydrophobicContact CG-CD1 4.41Å; Y1517-L1521 WeakPolarHBondContact O-CG 3.43Å; Y1517-L1521 PolarHBondContact O-N 3.28Å; A1518-L1521 PolarHBondContact O-N 2.76Å; L1521-K1523 VanDerWaalsContact C-N 3.32Å; L1521-D1524 CarbonylContact O-C 3.58Å; L1521-D1524 PolarHBondContact O-N 3.09Å; L1521-S1525 PolarHBondContact O-N 2.94Å; L1521-R1526 HydrophobicContact CB-CB 4.47Å; L1521-R1526 HydrophobicContact CD2-CB 4.33Å; L1521-R1526 PolarHBondContact O-N 2.84Å; L1521-D1529 HydrophobicContact CD1-CB 4.1Å; L1521-V1530 HydrophobicContact CB-CG2 3.41Å; L1521-V1530 VanDerWaalsContact CB-CG2 3.41Å; L1521-V1530 HydrophobicContact CD1-CG2 4.25Å; L1521-V1530 HydrophobicContact CG-CG2 4.5Å |
| 1522 | I | 87.3 | Confident | 87 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 14% | 0.138 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 173.2 | -70 | 176.3 | 0 | 0 | 0 | 110.7 | A1518 N1520 D1524 S1525 V1530 I1548 R1551 | A1518-I1522 WeakPolarHBondContact O-CG1 3.46Å; A1518-I1522 PolarHBondContact O-N 3.12Å; N1520-I1522 PolarHBondContact O-N 2.67Å; I1522-D1524 VanDerWaalsContact C-N 3.28Å; I1522-D1524 PolarHBondContact O-N 2.57Å; I1522-S1525 PolarHBondContact O-N 3.33Å; I1522-V1530 HydrophobicContact CD1-CG1 4.26Å; I1522-V1530 HydrophobicContact CG1-CB 4.38Å; I1522-V1530 HydrophobicContact CG1-CG1 4.23Å; I1522-V1530 HydrophobicContact CG1-CG2 3.62Å; I1522-I1548 HydrophobicContact CD1-CG2 3.84Å; I1522-R1551 HydrophobicContact CD1-CB 4.19Å |
| 1523 | K | 86.7 | Confident | 87.1 | Confident | 167 Ų | 167 | 47 Ų | 47 | 73% | 0.726 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.6 | -36.9 | 175.7 | -75.5 | 176.5 | 178.5 | -177.5 | 0 | 111.9 | A1519 N1520 L1521 S1525 | A1519-K1523 WeakPolarHBondContact O-CG 3.33Å; A1519-K1523 PolarHBondContact O-N 2.97Å; N1520-K1523 WeakPolarHBondContact O-CB 3.04Å; N1520-K1523 PolarHBondContact O-N 2.81Å; L1521-K1523 VanDerWaalsContact C-N 3.32Å; K1523-S1525 PolarHBondContact O-N 3.06Å |
| 1524 | D | 84.6 | Confident | 87.1 | Confident | 98 Ų | 98 | 46.7 Ų | 46.7 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 8.7 | 175.5 | -64.5 | -17.8 | 0 | 0 | 0 | 113.2 | N1520 L1521 I1522 R1526 | N1520-D1524 PolarHBondContact O-N 3.04Å; N1520-D1524 VanDerWaalsContact O-N 3.15Å; L1521-D1524 CarbonylContact O-C 3.58Å; L1521-D1524 PolarHBondContact O-N 3.09Å; I1522-D1524 VanDerWaalsContact C-N 3.28Å; I1522-D1524 PolarHBondContact O-N 2.57Å; D1524-R1526 HydrophobicContact CB-CG 4.25Å; D1524-R1526 PolarHBondContact O-N 3.05Å; D1524-R1526 VanDerWaalsContact O-N 3.16Å |
| 1525 | S | 80.7 | Confident | 87 | Confident | 104 Ų | 104 | 52 Ų | 52 | 73% | 0.727 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 18.3 | -175.9 | -55.6 | 0 | 0 | 0 | 0 | 114.7 | L1521 I1522 K1523 V1527 | L1521-S1525 PolarHBondContact O-N 2.94Å; I1522-S1525 PolarHBondContact O-N 3.33Å; K1523-S1525 PolarHBondContact O-N 3.06Å; S1525-V1527 VanDerWaalsContact C-N 3.31Å; S1525-V1527 PolarHBondContact O-N 2.87Å |
| 1526 | R | 86.2 | Confident | 87 | Confident | 123 Ų | 123 | 58.3 Ų | 58.3 | 46% | 0.464 | 29% | 0.293 | S | S | . | . | trans | -90.7 | 55.8 | 179 | -66.7 | 179.5 | 63 | -179.5 | -1.1 | 111.7 | L1521 D1524 Y1528 D1529 V1530 | L1521-R1526 HydrophobicContact CB-CB 4.47Å; L1521-R1526 HydrophobicContact CD2-CB 4.33Å; L1521-R1526 PolarHBondContact O-N 2.84Å; D1524-R1526 HydrophobicContact CB-CG 4.25Å; D1524-R1526 PolarHBondContact O-N 3.05Å; D1524-R1526 VanDerWaalsContact O-N 3.16Å; R1526-Y1528 VanDerWaalsContact C-N 3.3Å; R1526-Y1528 PolarHBondContact O-N 2.79Å; R1526-D1529 HydrophobicContact CB-CB 4.4Å; R1526-D1529 IonicContact CZ-OD2 3.69Å; R1526-D1529 IonicContact NE-OD2 2.66Å; R1526-D1529 PolarHBondContact NE-OD2 3.36Å; R1526-D1529 IonicContact NH2-OD2 2.78Å; R1526-D1529 PolarHBondContact NH2-OD2 2.57Å; R1526-D1529 PolarHBondContact O-N 3.38Å; R1526-V1530 WeakPolarHBondContact O-CG2 3.43Å; R1526-V1530 PolarHBondContact O-N 2.82Å | ||
| 1527 | V | 87.3 | Confident | 86.8 | Confident | 26 Ų | 26 | 57.6 Ų | 57.6 | 16% | 0.158 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -33.4 | -174 | -175.4 | 0 | 0 | 0 | 0 | 112.7 | S1525 D1529 V1530 M1531 I1552 I1556 | S1525-V1527 VanDerWaalsContact C-N 3.31Å; S1525-V1527 PolarHBondContact O-N 2.87Å; V1527-D1529 VanDerWaalsContact C-N 3.33Å; V1527-D1529 PolarHBondContact O-N 3.38Å; V1527-V1530 WeakPolarHBondContact O-CB 3.23Å; V1527-V1530 PolarHBondContact O-N 3.28Å; V1527-M1531 PolarHBondContact O-N 2.9Å; V1527-I1552 HydrophobicContact CG1-CB 4.41Å; V1527-I1552 HydrophobicContact CG1-CG1 4.47Å; V1527-I1552 HydrophobicContact CG1-CG2 4.37Å; V1527-I1556 HydrophobicContact CG1-CG1 4.32Å |
| 1528 | Y | 86.9 | Confident | 86.5 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 37% | 0.365 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 176.4 | -174.9 | -98.6 | 0 | 0 | 0 | 112.5 | R1526 V1530 M1531 L1532 T1570 | R1526-Y1528 VanDerWaalsContact C-N 3.3Å; R1526-Y1528 PolarHBondContact O-N 2.79Å; Y1528-V1530 VanDerWaalsContact C-N 3.3Å; Y1528-V1530 PolarHBondContact O-N 2.92Å; Y1528-M1531 HydrophobicContact CD2-CE 3.58Å; Y1528-M1531 HydrophobicContact CE2-CE 3.51Å; Y1528-M1531 HydrophobicContact CG-CE 4.48Å; Y1528-M1531 WeakPolarHBondContact O-CB 3.41Å; Y1528-M1531 PolarHBondContact O-N 2.92Å; Y1528-L1532 HydrophobicContact CD1-CD1 3.91Å; Y1528-L1532 HydrophobicContact CD1-CG 4.32Å; Y1528-L1532 HydrophobicContact CE1-CD1 3.49Å; Y1528-L1532 VanDerWaalsContact CE1-CD1 3.49Å; Y1528-L1532 HydrophobicContact CE1-CG 3.99Å; Y1528-L1532 PolarHBondContact O-N 3.45Å; Y1528-T1570 HydrophobicContact CD2-CG2 4.18Å; Y1528-T1570 HydrophobicContact CE2-CG2 4.22Å |
| 1529 | D | 87 | Confident | 86.4 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.5 | -31.9 | 178.5 | -62.7 | -40.3 | 0 | 0 | 0 | 111.8 | L1521 R1526 V1527 M1531 L1532 L1533 | L1521-D1529 HydrophobicContact CD1-CB 4.1Å; R1526-D1529 HydrophobicContact CB-CB 4.4Å; R1526-D1529 IonicContact CZ-OD2 3.69Å; R1526-D1529 IonicContact NE-OD2 2.66Å; R1526-D1529 PolarHBondContact NE-OD2 3.36Å; R1526-D1529 IonicContact NH2-OD2 2.78Å; R1526-D1529 PolarHBondContact NH2-OD2 2.57Å; R1526-D1529 PolarHBondContact O-N 3.38Å; V1527-D1529 VanDerWaalsContact C-N 3.33Å; V1527-D1529 PolarHBondContact O-N 3.38Å; D1529-M1531 VanDerWaalsContact C-N 3.35Å; D1529-L1532 PolarHBondContact O-N 2.82Å; D1529-L1533 WeakPolarHBondContact O-CB 3.48Å; D1529-L1533 PolarHBondContact O-N 2.68Å |
| 1530 | V | 88.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 172.8 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | A1518 L1521 I1522 R1526 V1527 Y1528 L1533 Y1534 I1548 I1552 | A1518-V1530 HydrophobicContact CB-CG1 3.64Å; L1521-V1530 HydrophobicContact CB-CG2 3.41Å; L1521-V1530 VanDerWaalsContact CB-CG2 3.41Å; L1521-V1530 HydrophobicContact CD1-CG2 4.25Å; L1521-V1530 HydrophobicContact CG-CG2 4.5Å; I1522-V1530 HydrophobicContact CD1-CG1 4.26Å; I1522-V1530 HydrophobicContact CG1-CB 4.38Å; I1522-V1530 HydrophobicContact CG1-CG1 4.23Å; I1522-V1530 HydrophobicContact CG1-CG2 3.62Å; R1526-V1530 WeakPolarHBondContact O-CG2 3.43Å; R1526-V1530 PolarHBondContact O-N 2.82Å; V1527-V1530 WeakPolarHBondContact O-CB 3.23Å; V1527-V1530 PolarHBondContact O-N 3.28Å; Y1528-V1530 VanDerWaalsContact C-N 3.3Å; Y1528-V1530 PolarHBondContact O-N 2.92Å; V1530-L1533 WeakPolarHBondContact O-CB 3.44Å; V1530-L1533 PolarHBondContact O-N 2.8Å; V1530-Y1534 HydrophobicContact CG1-CD2 3.98Å; V1530-Y1534 HydrophobicContact CG1-CE2 4Å; V1530-Y1534 WeakPolarHBondContact O-CD2 3.08Å; V1530-Y1534 PolarHBondContact O-N 3.17Å; V1530-I1548 HydrophobicContact CG1-CG2 4.32Å; V1530-I1552 HydrophobicContact CB-CG1 4.44Å; V1530-I1552 HydrophobicContact CG1-CD1 3.7Å; V1530-I1552 HydrophobicContact CG1-CG1 3.89Å |
| 1531 | M | 88 | Confident | 85.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 175.5 | -171.5 | -171.2 | 59.5 | 0 | 0 | 110.4 | V1527 Y1528 D1529 L1533 Y1534 K1535 I1552 I1556 T1570 T1573 L1574 I1577 | V1527-M1531 PolarHBondContact O-N 2.9Å; Y1528-M1531 HydrophobicContact CD2-CE 3.58Å; Y1528-M1531 HydrophobicContact CE2-CE 3.51Å; Y1528-M1531 HydrophobicContact CG-CE 4.48Å; Y1528-M1531 WeakPolarHBondContact O-CB 3.41Å; Y1528-M1531 PolarHBondContact O-N 2.92Å; D1529-M1531 VanDerWaalsContact C-N 3.35Å; M1531-L1533 VanDerWaalsContact C-N 3.29Å; M1531-L1533 PolarHBondContact O-N 2.88Å; M1531-Y1534 PolarHBondContact O-N 2.87Å; M1531-K1535 PolarHBondContact O-N 3.48Å; M1531-I1552 HydrophobicContact CB-CG2 4.15Å; M1531-I1552 HydrophobicContact CG-CG2 4.32Å; M1531-I1556 HydrophobicContact CB-CD1 4.4Å; M1531-I1556 HydrophobicContact CE-CD1 4.46Å; M1531-I1556 HydrophobicContact CG-CD1 4.24Å; M1531-I1556 HydrophobicContact SD-CD1 3.4Å; M1531-I1556 WeakPolarHBondContact SD-CD1 3.2Å; M1531-T1570 HydrophobicContact CE-CG2 4.19Å; M1531-T1573 HydrophobicContact CE-CG2 3.67Å; M1531-T1573 HydrophobicContact CG-CG2 3.83Å; M1531-T1573 HydrophobicContact SD-CG2 3.78Å; M1531-L1574 HydrophobicContact SD-CB 3.9Å; M1531-I1577 HydrophobicContact CB-CD1 4.24Å; M1531-I1577 HydrophobicContact CG-CD1 3.24Å; M1531-I1577 WeakPolarHBondContact O-CD1 3.4Å; M1531-I1577 HydrophobicContact SD-CD1 4.47Å |
| 1532 | L | 88.5 | Confident | 85.7 | Confident | 67 Ų | 67 | 56 Ų | 56 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 174.9 | -70.1 | 178.8 | 0 | 0 | 0 | 112.8 | Y1528 D1529 K1535 K1536 | Y1528-L1532 HydrophobicContact CD1-CD1 3.91Å; Y1528-L1532 HydrophobicContact CD1-CG 4.32Å; Y1528-L1532 HydrophobicContact CE1-CD1 3.49Å; Y1528-L1532 VanDerWaalsContact CE1-CD1 3.49Å; Y1528-L1532 HydrophobicContact CE1-CG 3.99Å; Y1528-L1532 PolarHBondContact O-N 3.45Å; D1529-L1532 PolarHBondContact O-N 2.82Å; L1532-K1535 WeakPolarHBondContact O-CB 3.35Å; L1532-K1535 PolarHBondContact O-N 3.33Å; L1532-K1536 PolarHBondContact O-N 3.4Å |
| 1533 | L | 88.1 | Confident | 85.4 | Confident | 15 Ų | 15 | 61 Ų | 61 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 176.6 | -172.2 | 72.2 | 0 | 0 | 0 | 111.4 | L1462 V1514 Y1517 A1518 D1529 V1530 M1531 K1535 K1536 Y1537 | L1462-L1533 HydrophobicContact CD1-CD1 4.3Å; V1514-L1533 HydrophobicContact CG1-CD2 3.9Å; V1514-L1533 HydrophobicContact CG1-CG 3.99Å; Y1517-L1533 HydrophobicContact CD1-CD1 3.66Å; Y1517-L1533 HydrophobicContact CD1-CD2 3.55Å; Y1517-L1533 HydrophobicContact CD1-CG 4.26Å; Y1517-L1533 HydrophobicContact CE1-CD1 3.91Å; Y1517-L1533 HydrophobicContact CE1-CD2 4.32Å; Y1517-L1533 HydrophobicContact CG-CD2 4.19Å; A1518-L1533 HydrophobicContact CB-CD2 4.11Å; D1529-L1533 WeakPolarHBondContact O-CB 3.48Å; D1529-L1533 PolarHBondContact O-N 2.68Å; V1530-L1533 WeakPolarHBondContact O-CB 3.44Å; V1530-L1533 PolarHBondContact O-N 2.8Å; M1531-L1533 VanDerWaalsContact C-N 3.29Å; M1531-L1533 PolarHBondContact O-N 2.88Å; L1533-K1535 VanDerWaalsContact C-N 3.35Å; L1533-K1536 PolarHBondContact O-N 3.4Å; L1533-Y1537 HydrophobicContact CD1-CD2 3.63Å; L1533-Y1537 HydrophobicContact CD1-CE2 3.55Å; L1533-Y1537 HydrophobicContact CG-CD2 4.08Å; L1533-Y1537 HydrophobicContact CG-CE2 4.48Å; L1533-Y1537 WeakPolarHBondContact O-CD2 3.22Å; L1533-Y1537 PolarHBondContact O-N 3.35Å |
| 1534 | Y | 87.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71 | -28.2 | 177 | -82.3 | -74.7 | 0 | 0 | 0 | 113.3 | V1514 A1518 V1530 M1531 K1536 G1538 T1539 I1548 Y1549 I1552 | V1514-Y1534 HydrophobicContact CG1-CE1 4.22Å; A1518-Y1534 HydrophobicContact CB-CE2 3.61Å; V1530-Y1534 HydrophobicContact CG1-CD2 3.98Å; V1530-Y1534 HydrophobicContact CG1-CE2 4Å; V1530-Y1534 WeakPolarHBondContact O-CD2 3.08Å; V1530-Y1534 PolarHBondContact O-N 3.17Å; M1531-Y1534 PolarHBondContact O-N 2.87Å; Y1534-K1536 VanDerWaalsContact C-N 3.32Å; Y1534-G1538 WeakPolarHBondContact CD1-O 3.27Å; Y1534-G1538 CarbonylContact O-C 3.57Å; Y1534-G1538 VanDerWaalsContact O-CA 3.3Å; Y1534-G1538 WeakPolarHBondContact O-CA 3.15Å; Y1534-G1538 PolarHBondContact O-N 3.41Å; Y1534-T1539 HydrophobicContact CD1-CG2 4.45Å; Y1534-I1548 HydrophobicContact CE2-CG2 3.6Å; Y1534-Y1549 AromaticContact CD1-CE1 3.76Å; Y1534-Y1549 HydrophobicContact CD1-CE1 3.76Å; Y1534-Y1549 HydrophobicContact CD2-CE1 4.47Å; Y1534-Y1549 AromaticContact CE1-CE1 3.82Å; Y1534-Y1549 HydrophobicContact CE1-CE1 3.82Å; Y1534-Y1549 HydrophobicContact CG-CE1 4.1Å; Y1534-I1552 HydrophobicContact CD2-CD1 3.89Å; Y1534-I1552 HydrophobicContact CE2-CD1 4.28Å |
| 1535 | K | 86.2 | Confident | 85.2 | Confident | 111 Ų | 111 | 57 Ų | 57 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 168.8 | -167.5 | -173.1 | -159.9 | 158.9 | 0 | 111.6 | M1531 L1532 L1533 T1573 I1577 | M1531-K1535 PolarHBondContact O-N 3.48Å; L1532-K1535 WeakPolarHBondContact O-CB 3.35Å; L1532-K1535 PolarHBondContact O-N 3.33Å; L1533-K1535 VanDerWaalsContact C-N 3.35Å; K1535-T1573 HydrophobicContact CB-CG2 4.25Å; K1535-T1573 HydrophobicContact CD-CG2 3.65Å; K1535-T1573 HydrophobicContact CG-CG2 4.24Å; K1535-T1573 PolarHBondContact NZ-OG1 2.98Å; K1535-I1577 HydrophobicContact CB-CD1 4.34Å |
| 1536 | K | 86.2 | Confident | 85.6 | Confident | 148 Ų | 148 | 52.7 Ų | 52.7 | 64% | 0.643 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -74.2 | -42.7 | -178.2 | -171.8 | -177.8 | 177.7 | -163.8 | 0 | 112.8 | L1532 L1533 Y1534 | L1532-K1536 PolarHBondContact O-N 3.4Å; L1533-K1536 PolarHBondContact O-N 3.4Å; Y1534-K1536 VanDerWaalsContact C-N 3.32Å |
| 1537 | Y | 83.6 | Confident | 85.7 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -97.9 | -9.6 | -173.2 | -69.4 | -69.4 | 0 | 0 | 0 | 114.8 | L1462 E1466 L1510 H1511 V1514 L1533 | L1462-Y1537 HydrophobicContact CD1-CE2 3.94Å; E1466-Y1537 HydrophobicContact CG-CE1 4.32Å; E1466-Y1537 WeakPolarHBondContact OE1-CE1 3.26Å; E1466-Y1537 VanDerWaalsContact OE1-CZ 3.25Å; E1466-Y1537 PolarHBondContact OE1-OH 3.16Å; L1510-Y1537 HydrophobicContact CD1-CD1 4.17Å; L1510-Y1537 HydrophobicContact CD1-CE1 4.09Å; L1510-Y1537 HydrophobicContact CD2-CD1 4Å; L1510-Y1537 HydrophobicContact CD2-CE1 4.49Å; L1510-Y1537 HydrophobicContact CG-CD1 4.27Å; H1511-Y1537 PolarHBondContact CE1-O 3.11Å; H1511-Y1537 PolarHBondContact NE2-O 3.47Å; V1514-Y1537 HydrophobicContact CG1-CD2 4.38Å; V1514-Y1537 HydrophobicContact CG2-CD1 4.19Å; V1514-Y1537 HydrophobicContact CG2-CD2 3.77Å; V1514-Y1537 HydrophobicContact CG2-CE2 4.37Å; V1514-Y1537 HydrophobicContact CG2-CG 3.69Å; L1533-Y1537 HydrophobicContact CD1-CD2 3.63Å; L1533-Y1537 HydrophobicContact CD1-CE2 3.55Å; L1533-Y1537 HydrophobicContact CG-CD2 4.08Å; L1533-Y1537 HydrophobicContact CG-CE2 4.48Å; L1533-Y1537 WeakPolarHBondContact O-CD2 3.22Å; L1533-Y1537 PolarHBondContact O-N 3.35Å |
| 1538 | G | 82.8 | Confident | 85.8 | Confident | 17 Ų | 17 | 52 Ų | 52 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | trans | 88.5 | 167 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1534 P1540 | Y1534-G1538 WeakPolarHBondContact CD1-O 3.27Å; Y1534-G1538 CarbonylContact O-C 3.57Å; Y1534-G1538 VanDerWaalsContact O-CA 3.3Å; Y1534-G1538 WeakPolarHBondContact O-CA 3.15Å; Y1534-G1538 PolarHBondContact O-N 3.41Å; G1538-P1540 WeakPolarHBondContact O-CD 3.46Å | ||
| 1539 | T | 84.5 | Confident | 86 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | trans | -115.7 | 79.7 | -172 | 59.6 | 0 | 0 | 0 | 0 | 112.7 | Y1534 Y1549 I1577 D1580 L1581 N1584 | Y1534-T1539 HydrophobicContact CD1-CG2 4.45Å; T1539-Y1549 VanDerWaalsContact C-OH 3.3Å; T1539-Y1549 WeakPolarHBondContact CA-OH 3.35Å; T1539-Y1549 HydrophobicContact CG2-CE1 4.23Å; T1539-I1577 HydrophobicContact CG2-CB 4.16Å; T1539-I1577 HydrophobicContact CG2-CG1 4.24Å; T1539-I1577 HydrophobicContact CG2-CG2 3.67Å; T1539-I1577 PolarHBondContact OG1-O 3.29Å; T1539-D1580 PolarHBondContact N-OD2 3.2Å; T1539-D1580 WeakPolarHBondContact OG1-CB 3.2Å; T1539-D1580 PolarHBondContact OG1-OD2 3.4Å; T1539-L1581 PolarHBondContact OG1-N 3.13Å; T1539-N1584 PolarHBondContact O-ND2 2.78Å | ||
| 1540 | P | 83 | Confident | 86.1 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 7% | 0.065 | 23% | 0.23 | C | C | . | . | trans | -66.8 | 142.8 | -178.1 | 30.3 | -38.3 | 0 | 0 | 0 | 111.5 | H1511 G1538 Y1542 Y1549 | H1511-P1540 HydrophobicContact CB-CG 4.25Å; H1511-P1540 WeakPolarHBondContact CE1-CD 3.49Å; H1511-P1540 WeakPolarHBondContact ND1-CG 3.22Å; G1538-P1540 WeakPolarHBondContact O-CD 3.46Å; P1540-Y1542 HydrophobicContact CB-CD1 4.48Å; P1540-Y1542 HydrophobicContact CB-CD2 3.65Å; P1540-Y1542 HydrophobicContact CB-CE1 4.36Å; P1540-Y1542 HydrophobicContact CB-CE2 3.51Å; P1540-Y1542 HydrophobicContact CB-CG 4.14Å; P1540-Y1542 HydrophobicContact CG-CD2 3.69Å; P1540-Y1542 HydrophobicContact CG-CE2 3.76Å; P1540-Y1542 HydrophobicContact CG-CG 4.49Å; P1540-Y1542 PolarHBondContact O-N 3.2Å; P1540-Y1549 WeakPolarHBondContact CD-OH 3.5Å; P1540-Y1549 PolarHBondContact O-OH 3.15Å | ||
| 1541 | A | 82.2 | Confident | 86.1 | Confident | 13 Ų | 13 | 56 Ų | 56 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | trans | -78.6 | 43.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1584 L1585 | A1541-N1584 HydrophobicContact CB-CB 3.94Å; A1541-L1585 HydrophobicContact CB-CD2 3.97Å; A1541-L1585 HydrophobicContact CB-CG 4.3Å | ||
| 1542 | Y | 82.6 | Confident | 86.2 | Confident | 79 Ų | 79 | 56 Ų | 56 | 31% | 0.31 | 26% | 0.258 | S | S | . | . | trans | -82.4 | 129.4 | 176.6 | -58.4 | -36.9 | 0 | 0 | 0 | 111.1 | H1511 P1540 Q1544 N1545 F1546 | H1511-Y1542 HydrophobicContact CB-CD2 4.46Å; H1511-Y1542 HydrophobicContact CB-CE2 3.89Å; P1540-Y1542 HydrophobicContact CB-CD1 4.48Å; P1540-Y1542 HydrophobicContact CB-CD2 3.65Å; P1540-Y1542 HydrophobicContact CB-CE1 4.36Å; P1540-Y1542 HydrophobicContact CB-CE2 3.51Å; P1540-Y1542 HydrophobicContact CB-CG 4.14Å; P1540-Y1542 HydrophobicContact CG-CD2 3.69Å; P1540-Y1542 HydrophobicContact CG-CE2 3.76Å; P1540-Y1542 HydrophobicContact CG-CG 4.49Å; P1540-Y1542 PolarHBondContact O-N 3.2Å; Y1542-Q1544 PolarHBondContact O-N 2.9Å; Y1542-Q1544 VanDerWaalsContact O-N 3.09Å; Y1542-N1545 PolarHBondContact O-N 3.26Å; Y1542-F1546 WeakPolarHBondContact O-CD1 3.44Å; Y1542-F1546 WeakPolarHBondContact O-CE1 3.47Å | ||
| 1543 | K | 82.7 | Confident | 86.4 | Confident | 131 Ų | 131 | 52.9 Ų | 52.9 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -52.5 | -35.4 | 179.8 | -68 | -178.9 | 178.7 | 178 | 0 | 113.3 | N1545 F1546 D1591 | K1543-N1545 PolarHBondContact O-N 3.1Å; K1543-F1546 HydrophobicContact CB-CE2 4.34Å; K1543-F1546 HydrophobicContact CG-CE2 4.01Å; K1543-F1546 HydrophobicContact CG-CZ 4.41Å; K1543-F1546 PolarHBondContact O-N 2.97Å; K1543-D1591 WeakPolarHBondContact CE-O 3.31Å; K1543-D1591 PolarHBondContact NZ-O 3.06Å |
| 1544 | Q | 80.7 | Confident | 86.4 | Confident | 175 Ų | 175 | 57.1 Ų | 57.1 | 82% | 0.818 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -63.6 | -27.3 | 178.8 | -64.4 | 169.3 | 0.7 | 0 | 0 | 112.9 | Y1542 | Y1542-Q1544 PolarHBondContact O-N 2.9Å; Y1542-Q1544 VanDerWaalsContact O-N 3.09Å |
| 1545 | N | 85.3 | Confident | 86.3 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -91.3 | -10.2 | -177 | -66.9 | -4.3 | 0 | 0 | 0 | 113.4 | A1515 Y1542 K1543 N1547 I1548 Y1549 | A1515-N1545 WeakPolarHBondContact CB-OD1 3.49Å; Y1542-N1545 PolarHBondContact O-N 3.26Å; K1543-N1545 PolarHBondContact O-N 3.1Å; N1545-N1547 VanDerWaalsContact C-N 3.28Å; N1545-N1547 PolarHBondContact O-N 2.95Å; N1545-I1548 WeakPolarHBondContact O-CA 3.36Å; N1545-I1548 VanDerWaalsContact O-CB 3.31Å; N1545-I1548 WeakPolarHBondContact O-CB 3.39Å; N1545-I1548 PolarHBondContact O-N 2.94Å; N1545-Y1549 HydrophobicContact CB-CD2 4.47Å; N1545-Y1549 HydrophobicContact CB-CE2 3.8Å; N1545-Y1549 WeakPolarHBondContact O-CD2 3.5Å; N1545-Y1549 PolarHBondContact O-N 3.12Å; N1545-Y1549 VanDerWaalsContact O-N 3.11Å |
| 1546 | F | 89.2 | Confident | 86.5 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 6% | 0.057 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.7 | -35.5 | -175.6 | -65.9 | -10.7 | 0 | 0 | 0 | 113.3 | Y1542 K1543 I1548 Y1549 K1550 L1585 I1592 I1596 F1600 | Y1542-F1546 WeakPolarHBondContact O-CD1 3.44Å; Y1542-F1546 WeakPolarHBondContact O-CE1 3.47Å; K1543-F1546 HydrophobicContact CB-CE2 4.34Å; K1543-F1546 HydrophobicContact CG-CE2 4.01Å; K1543-F1546 HydrophobicContact CG-CZ 4.41Å; K1543-F1546 PolarHBondContact O-N 2.97Å; F1546-I1548 VanDerWaalsContact C-N 3.3Å; F1546-I1548 PolarHBondContact O-N 3.24Å; F1546-Y1549 HydrophobicContact CD1-CD2 4.17Å; F1546-Y1549 HydrophobicContact CD1-CE2 4.33Å; F1546-Y1549 PolarHBondContact O-N 2.8Å; F1546-K1550 WeakPolarHBondContact O-CG 3.45Å; F1546-K1550 PolarHBondContact O-N 3.12Å; F1546-L1585 HydrophobicContact CE1-CD2 4.12Å; F1546-L1585 HydrophobicContact CZ-CD2 3.81Å; F1546-I1592 HydrophobicContact CE2-CD1 4.46Å; F1546-I1592 HydrophobicContact CE2-CG1 4.46Å; F1546-I1592 HydrophobicContact CE2-CG2 4.01Å; F1546-I1592 HydrophobicContact CZ-CD1 3.85Å; F1546-I1592 HydrophobicContact CZ-CG1 4.32Å; F1546-I1592 HydrophobicContact CZ-CG2 4.32Å; F1546-I1596 HydrophobicContact CD2-CG2 4.01Å; F1546-I1596 HydrophobicContact CE2-CG2 4.07Å; F1546-F1600 HydrophobicContact CB-CE2 4.26Å; F1546-F1600 HydrophobicContact CB-CZ 4.02Å; F1546-F1600 HydrophobicContact CD1-CE2 4.12Å; F1546-F1600 HydrophobicContact CD1-CZ 4.29Å; F1546-F1600 HydrophobicContact CD2-CE2 4.38Å; F1546-F1600 HydrophobicContact CG-CE2 4.01Å; F1546-F1600 HydrophobicContact CG-CZ 4.19Å |
| 1547 | N | 88.3 | Confident | 86.5 | Confident | 113 Ų | 113 | 46.1 Ų | 46.1 | 60% | 0.604 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -67.1 | -31.8 | 174.8 | -71.2 | -17.3 | 0 | 0 | 0 | 112.4 | N1545 R1551 | N1545-N1547 VanDerWaalsContact C-N 3.28Å; N1545-N1547 PolarHBondContact O-N 2.95Å; N1547-R1551 WeakPolarHBondContact O-CB 2.96Å; N1547-R1551 WeakPolarHBondContact O-CG 3.48Å; N1547-R1551 PolarHBondContact O-N 3.18Å |
| 1548 | I | 89.3 | Confident | 86.6 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.8 | -48.5 | 175.1 | -59.7 | 175.2 | 0 | 0 | 0 | 109 | A1515 A1518 I1522 V1530 Y1534 N1545 F1546 K1550 R1551 I1552 | A1515-I1548 HydrophobicContact CB-CD1 4.02Å; A1518-I1548 HydrophobicContact CB-CG2 4.17Å; I1522-I1548 HydrophobicContact CD1-CG2 3.84Å; V1530-I1548 HydrophobicContact CG1-CG2 4.32Å; Y1534-I1548 HydrophobicContact CE2-CG2 3.6Å; N1545-I1548 WeakPolarHBondContact O-CA 3.36Å; N1545-I1548 VanDerWaalsContact O-CB 3.31Å; N1545-I1548 WeakPolarHBondContact O-CB 3.39Å; N1545-I1548 PolarHBondContact O-N 2.94Å; F1546-I1548 VanDerWaalsContact C-N 3.3Å; F1546-I1548 PolarHBondContact O-N 3.24Å; I1548-K1550 PolarHBondContact O-N 2.5Å; I1548-R1551 PolarHBondContact O-N 3Å; I1548-I1552 HydrophobicContact CG2-CD1 4.08Å; I1548-I1552 HydrophobicContact CG2-CG1 4.5Å; I1548-I1552 VanDerWaalsContact O-CG1 3.3Å; I1548-I1552 WeakPolarHBondContact O-CG1 3.48Å; I1548-I1552 PolarHBondContact O-N 2.9Å |
| 1549 | Y | 90.8 | Very high | 86.6 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 176.9 | -56.5 | -49.7 | 0 | 0 | 0 | 112.9 | Y1534 T1539 P1540 N1545 F1546 R1551 I1552 F1553 L1581 | Y1534-Y1549 AromaticContact CD1-CE1 3.76Å; Y1534-Y1549 HydrophobicContact CD1-CE1 3.76Å; Y1534-Y1549 HydrophobicContact CD2-CE1 4.47Å; Y1534-Y1549 AromaticContact CE1-CE1 3.82Å; Y1534-Y1549 HydrophobicContact CE1-CE1 3.82Å; Y1534-Y1549 HydrophobicContact CG-CE1 4.1Å; T1539-Y1549 VanDerWaalsContact C-OH 3.3Å; T1539-Y1549 WeakPolarHBondContact CA-OH 3.35Å; T1539-Y1549 HydrophobicContact CG2-CE1 4.23Å; P1540-Y1549 WeakPolarHBondContact CD-OH 3.5Å; P1540-Y1549 PolarHBondContact O-OH 3.15Å; N1545-Y1549 HydrophobicContact CB-CD2 4.47Å; N1545-Y1549 HydrophobicContact CB-CE2 3.8Å; N1545-Y1549 WeakPolarHBondContact O-CD2 3.5Å; N1545-Y1549 PolarHBondContact O-N 3.12Å; N1545-Y1549 VanDerWaalsContact O-N 3.11Å; F1546-Y1549 HydrophobicContact CD1-CD2 4.17Å; F1546-Y1549 HydrophobicContact CD1-CE2 4.33Å; F1546-Y1549 PolarHBondContact O-N 2.8Å; Y1549-R1551 PolarHBondContact O-N 2.8Å; Y1549-I1552 HydrophobicContact CD1-CD1 4.4Å; Y1549-I1552 PolarHBondContact O-N 2.88Å; Y1549-F1553 PolarHBondContact O-N 3.46Å; Y1549-L1581 HydrophobicContact CD2-CD1 3.93Å; Y1549-L1581 HydrophobicContact CD2-CD2 3.53Å; Y1549-L1581 HydrophobicContact CD2-CG 4.37Å; Y1549-L1581 HydrophobicContact CE2-CD1 3.53Å; Y1549-L1581 HydrophobicContact CE2-CD2 4.01Å; Y1549-L1581 HydrophobicContact CE2-CG 4.38Å; Y1549-L1581 HydrophobicContact CG-CD2 3.88Å |
| 1550 | K | 90.1 | Very high | 86.4 | Confident | 66 Ų | 66 | 57 Ų | 57 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 174 | -72.1 | -176.2 | -179.3 | -172 | 0 | 111.9 | F1546 I1548 F1553 Q1554 F1600 M1603 | F1546-K1550 WeakPolarHBondContact O-CG 3.45Å; F1546-K1550 PolarHBondContact O-N 3.12Å; I1548-K1550 PolarHBondContact O-N 2.5Å; K1550-F1553 PolarHBondContact O-N 2.95Å; K1550-Q1554 WeakPolarHBondContact O-CB 3.37Å; K1550-Q1554 WeakPolarHBondContact O-CG 3.37Å; K1550-Q1554 PolarHBondContact O-N 3.24Å; K1550-F1600 HydrophobicContact CG-CE1 4.39Å; K1550-F1600 HydrophobicContact CG-CZ 4.37Å; K1550-M1603 HydrophobicContact CG-CE 4.21Å |
| 1551 | R | 88.2 | Confident | 86.1 | Confident | 157 Ų | 157 | 59.8 Ų | 59.8 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.6 | -35.3 | 176.2 | -80.8 | -165.8 | 174.9 | 152.4 | -0.9 | 113.3 | I1522 N1547 I1548 Y1549 G1555 | I1522-R1551 HydrophobicContact CD1-CB 4.19Å; N1547-R1551 WeakPolarHBondContact O-CB 2.96Å; N1547-R1551 WeakPolarHBondContact O-CG 3.48Å; N1547-R1551 PolarHBondContact O-N 3.18Å; I1548-R1551 PolarHBondContact O-N 3Å; Y1549-R1551 PolarHBondContact O-N 2.8Å; R1551-G1555 PolarHBondContact O-N 3.2Å |
| 1552 | I | 90.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 172.5 | -64.5 | 164.9 | 0 | 0 | 0 | 109.6 | V1527 V1530 M1531 Y1534 I1548 Y1549 G1555 I1556 L1574 | V1527-I1552 HydrophobicContact CG1-CB 4.41Å; V1527-I1552 HydrophobicContact CG1-CG1 4.47Å; V1527-I1552 HydrophobicContact CG1-CG2 4.37Å; V1530-I1552 HydrophobicContact CB-CG1 4.44Å; V1530-I1552 HydrophobicContact CG1-CD1 3.7Å; V1530-I1552 HydrophobicContact CG1-CG1 3.89Å; M1531-I1552 HydrophobicContact CB-CG2 4.15Å; M1531-I1552 HydrophobicContact CG-CG2 4.32Å; Y1534-I1552 HydrophobicContact CD2-CD1 3.89Å; Y1534-I1552 HydrophobicContact CE2-CD1 4.28Å; I1548-I1552 HydrophobicContact CG2-CD1 4.08Å; I1548-I1552 HydrophobicContact CG2-CG1 4.5Å; I1548-I1552 VanDerWaalsContact O-CG1 3.3Å; I1548-I1552 WeakPolarHBondContact O-CG1 3.48Å; I1548-I1552 PolarHBondContact O-N 2.9Å; Y1549-I1552 HydrophobicContact CD1-CD1 4.4Å; Y1549-I1552 PolarHBondContact O-N 2.88Å; I1552-G1555 PolarHBondContact O-N 3.44Å; I1552-I1556 HydrophobicContact CG2-CD1 3.78Å; I1552-I1556 WeakPolarHBondContact O-CB 3.27Å; I1552-I1556 WeakPolarHBondContact O-CG1 3.45Å; I1552-I1556 PolarHBondContact O-N 2.94Å; I1552-L1574 HydrophobicContact CG2-CD1 3.82Å |
| 1553 | F | 92 | Very high | 86.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 177.5 | 178.7 | -92.8 | 0 | 0 | 0 | 112.1 | Y1549 K1550 I1556 T1557 L1574 L1578 M1603 V1606 I1640 L1641 | Y1549-F1553 PolarHBondContact O-N 3.46Å; K1550-F1553 PolarHBondContact O-N 2.95Å; F1553-I1556 PolarHBondContact O-N 3.43Å; F1553-T1557 HydrophobicContact CD1-CG2 4.32Å; F1553-T1557 HydrophobicContact CD2-CG2 4.29Å; F1553-T1557 HydrophobicContact CE1-CG2 4.02Å; F1553-T1557 HydrophobicContact CE2-CG2 4Å; F1553-T1557 HydrophobicContact CG-CG2 4.45Å; F1553-T1557 HydrophobicContact CZ-CG2 3.86Å; F1553-T1557 WeakPolarHBondContact O-CB 3.22Å; F1553-T1557 VanDerWaalsContact O-CG2 3.24Å; F1553-T1557 WeakPolarHBondContact O-CG2 3.47Å; F1553-T1557 PolarHBondContact O-N 2.97Å; F1553-T1557 PolarHBondContact O-OG1 2.99Å; F1553-L1574 HydrophobicContact CD2-CD2 4.15Å; F1553-L1578 HydrophobicContact CD2-CD1 4.08Å; F1553-M1603 HydrophobicContact CB-SD 4.23Å; F1553-M1603 HydrophobicContact CD1-CE 3.79Å; F1553-M1603 HydrophobicContact CD1-CG 4.01Å; F1553-M1603 HydrophobicContact CD1-SD 4.08Å; F1553-M1603 HydrophobicContact CD2-CB 3.88Å; F1553-M1603 HydrophobicContact CD2-CG 3.99Å; F1553-M1603 HydrophobicContact CD2-SD 4.41Å; F1553-M1603 HydrophobicContact CE1-CE 4.21Å; F1553-M1603 HydrophobicContact CE1-CG 3.96Å; F1553-M1603 HydrophobicContact CE2-CB 3.78Å; F1553-M1603 HydrophobicContact CE2-CG 3.93Å; F1553-M1603 HydrophobicContact CG-CB 4.38Å; F1553-M1603 HydrophobicContact CG-CE 4.28Å; F1553-M1603 HydrophobicContact CG-CG 4.02Å; F1553-M1603 HydrophobicContact CG-SD 3.98Å; F1553-M1603 HydrophobicContact CZ-CB 4.21Å; F1553-M1603 HydrophobicContact CZ-CG 3.91Å; F1553-V1606 HydrophobicContact CE2-CB 4.47Å; F1553-V1606 HydrophobicContact CE2-CG1 4.18Å; F1553-V1606 HydrophobicContact CZ-CB 4.34Å; F1553-V1606 HydrophobicContact CZ-CG1 3.92Å; F1553-I1640 HydrophobicContact CE1-CB 4.49Å; F1553-I1640 HydrophobicContact CZ-CD1 4.34Å; F1553-L1641 HydrophobicContact CE1-CD2 4.38Å; F1553-L1641 HydrophobicContact CZ-CD2 4.05Å |
| 1554 | Q | 88 | Confident | 86 | Confident | 105 Ų | 105 | 54.3 Ų | 54.3 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 178.3 | -74.1 | 174.7 | -30.6 | 0 | 0 | 112.5 | K1550 T1557 S1558 | K1550-Q1554 WeakPolarHBondContact O-CB 3.37Å; K1550-Q1554 WeakPolarHBondContact O-CG 3.37Å; K1550-Q1554 PolarHBondContact O-N 3.24Å; Q1554-T1557 WeakPolarHBondContact CA-OG1 3.38Å; Q1554-T1557 PolarHBondContact O-N 3.21Å; Q1554-T1557 PolarHBondContact O-OG1 3.4Å; Q1554-S1558 VanDerWaalsContact O-CB 3.28Å; Q1554-S1558 WeakPolarHBondContact O-CB 3.45Å; Q1554-S1558 PolarHBondContact O-N 2.88Å; Q1554-S1558 PolarHBondContact O-OG 3.34Å |
| 1555 | G | 85.8 | Confident | 86.1 | Confident | 27 Ų | 27 | 48.2 Ų | 48.2 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1551 I1552 Q1559 | R1551-G1555 PolarHBondContact O-N 3.2Å; I1552-G1555 PolarHBondContact O-N 3.44Å; G1555-Q1559 PolarHBondContact O-N 3.34Å |
| 1556 | I | 89.3 | Confident | 86 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.6 | -42.6 | 177.4 | -66.6 | 172 | 0 | 0 | 0 | 111 | V1527 M1531 I1552 F1553 S1558 Q1559 L1562 T1570 W1571 L1574 | V1527-I1556 HydrophobicContact CG1-CG1 4.32Å; M1531-I1556 HydrophobicContact CB-CD1 4.4Å; M1531-I1556 HydrophobicContact CE-CD1 4.46Å; M1531-I1556 HydrophobicContact CG-CD1 4.24Å; M1531-I1556 HydrophobicContact SD-CD1 3.4Å; M1531-I1556 WeakPolarHBondContact SD-CD1 3.2Å; I1552-I1556 HydrophobicContact CG2-CD1 3.78Å; I1552-I1556 WeakPolarHBondContact O-CB 3.27Å; I1552-I1556 WeakPolarHBondContact O-CG1 3.45Å; I1552-I1556 PolarHBondContact O-N 2.94Å; F1553-I1556 PolarHBondContact O-N 3.43Å; I1556-S1558 VanDerWaalsContact C-N 3.26Å; I1556-S1558 PolarHBondContact O-N 2.78Å; I1556-Q1559 PolarHBondContact O-N 2.62Å; I1556-L1562 HydrophobicContact CG2-CD1 3.76Å; I1556-L1562 WeakPolarHBondContact O-CD1 3.45Å; I1556-T1570 HydrophobicContact CD1-CG2 4.49Å; I1556-T1570 HydrophobicContact CG2-CG2 3.95Å; I1556-W1571 HydrophobicContact CG2-CE3 4.2Å; I1556-W1571 HydrophobicContact CG2-CH2 4.1Å; I1556-W1571 HydrophobicContact CG2-CZ3 3.86Å; I1556-L1574 HydrophobicContact CB-CD2 4.11Å; I1556-L1574 HydrophobicContact CD1-CB 4.28Å; I1556-L1574 HydrophobicContact CD1-CD1 4.14Å; I1556-L1574 HydrophobicContact CD1-CD2 3.99Å; I1556-L1574 HydrophobicContact CD1-CG 4.36Å; I1556-L1574 HydrophobicContact CG2-CD2 3.99Å |
| 1557 | T | 87.9 | Confident | 86 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.3 | -26.4 | -179.7 | 51.5 | 0 | 0 | 0 | 0 | 113.2 | F1553 Q1554 W1571 L1641 K1645 | F1553-T1557 HydrophobicContact CD1-CG2 4.32Å; F1553-T1557 HydrophobicContact CD2-CG2 4.29Å; F1553-T1557 HydrophobicContact CE1-CG2 4.02Å; F1553-T1557 HydrophobicContact CE2-CG2 4Å; F1553-T1557 HydrophobicContact CG-CG2 4.45Å; F1553-T1557 HydrophobicContact CZ-CG2 3.86Å; F1553-T1557 WeakPolarHBondContact O-CB 3.22Å; F1553-T1557 VanDerWaalsContact O-CG2 3.24Å; F1553-T1557 WeakPolarHBondContact O-CG2 3.47Å; F1553-T1557 PolarHBondContact O-N 2.97Å; F1553-T1557 PolarHBondContact O-OG1 2.99Å; Q1554-T1557 WeakPolarHBondContact CA-OG1 3.38Å; Q1554-T1557 PolarHBondContact O-N 3.21Å; Q1554-T1557 PolarHBondContact O-OG1 3.4Å; T1557-W1571 HydrophobicContact CG2-CH2 3.95Å; T1557-W1571 HydrophobicContact CG2-CZ3 4.01Å; T1557-L1641 HydrophobicContact CG2-CD2 3.46Å; T1557-L1641 VanDerWaalsContact CG2-CD2 3.46Å; T1557-K1645 WeakPolarHBondContact O-CD 3.34Å; T1557-K1645 PolarHBondContact O-NZ 3.1Å |
| 1558 | S | 84.4 | Confident | 86 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -85.9 | -12.3 | 176.7 | -50.9 | 0 | 0 | 0 | 0 | 114.3 | Q1554 I1556 | Q1554-S1558 VanDerWaalsContact O-CB 3.28Å; Q1554-S1558 WeakPolarHBondContact O-CB 3.45Å; Q1554-S1558 PolarHBondContact O-N 2.88Å; Q1554-S1558 PolarHBondContact O-OG 3.34Å; I1556-S1558 VanDerWaalsContact C-N 3.26Å; I1556-S1558 PolarHBondContact O-N 2.78Å |
| 1559 | Q | 83 | Confident | 86 | Confident | 96 Ų | 96 | 51.9 Ų | 51.9 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | trans | -74 | 130.5 | -175.5 | -166.6 | 175.7 | -4.4 | 0 | 0 | 111.9 | G1555 I1556 L1562 | G1555-Q1559 PolarHBondContact O-N 3.34Å; I1556-Q1559 PolarHBondContact O-N 2.62Å; Q1559-L1562 HydrophobicContact CB-CD1 4.02Å | ||
| 1560 | R | 80.1 | Confident | 86 | Confident | 109 Ų | 109 | 52.5 Ų | 52.5 | 41% | 0.411 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 148 | 171.5 | -66.5 | -171.4 | -174.9 | -150.6 | 3.4 | 111.1 | L1730 Y1731 T1732 | R1560-L1730 PolarHBondContact NH2-O 3.34Å; R1560-Y1731 WeakPolarHBondContact CD-O 3.41Å; R1560-Y1731 HydrophobicContact CG-CD2 4.01Å; R1560-Y1731 HydrophobicContact CG-CE2 3.92Å; R1560-Y1731 PolarHBondContact NE-O 3.41Å; R1560-Y1731 PolarHBondContact NH1-O 3.13Å; R1560-Y1731 PolarHBondContact NH2-O 2.91Å; R1560-Y1731 VanDerWaalsContact NH2-O 3.09Å; R1560-T1732 PolarHBondContact NH1-O 2.86Å; R1560-T1732 PolarHBondContact NH2-O 3.34Å |
| 1561 | G | 78.4 | Confident | 86.1 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | -3.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1563 | G1561-Y1563 VanDerWaalsContact C-N 3.26Å; G1561-Y1563 PolarHBondContact O-N 2.93Å |
| 1562 | L | 82.5 | Confident | 86.3 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 27.5 | 176.6 | -67.3 | 177.4 | 0 | 0 | 0 | 114.2 | I1556 Q1559 A1567 T1570 W1571 | I1556-L1562 HydrophobicContact CG2-CD1 3.76Å; I1556-L1562 WeakPolarHBondContact O-CD1 3.45Å; Q1559-L1562 HydrophobicContact CB-CD1 4.02Å; L1562-A1567 VanDerWaalsContact C-CB 3.48Å; L1562-A1567 HydrophobicContact CB-CB 4.02Å; L1562-A1567 HydrophobicContact CD2-CB 3.84Å; L1562-A1567 WeakPolarHBondContact O-CB 3.3Å; L1562-T1570 HydrophobicContact CD1-CG2 4.14Å; L1562-T1570 HydrophobicContact CD2-CG2 4.09Å; L1562-W1571 HydrophobicContact CB-CZ2 4.07Å; L1562-W1571 HydrophobicContact CD1-CZ2 4.36Å; L1562-W1571 PolarHBondContact O-NE1 3.4Å |
| 1563 | Y | 81.7 | Confident | 86.3 | Confident | 61 Ų | 61 | 42.6 Ų | 42.6 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -33.8 | 179.8 | 175.5 | -90.9 | 0 | 0 | 0 | 113 | G1561 L1617 E1649 D1653 | G1561-Y1563 VanDerWaalsContact C-N 3.26Å; G1561-Y1563 PolarHBondContact O-N 2.93Å; Y1563-L1617 WeakPolarHBondContact O-CD1 3.26Å; Y1563-E1649 HydrophobicContact CD2-CG 4.05Å; Y1563-E1649 HydrophobicContact CE2-CG 4.36Å; Y1563-D1653 PolarHBondContact OH-OD1 3.29Å |
| 1564 | G | 80.4 | Confident | 86.3 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -79 | 179.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1566 A1567 | G1564-D1566 PolarHBondContact O-N 2.93Å; G1564-A1567 VanDerWaalsContact O-CB 3.27Å; G1564-A1567 WeakPolarHBondContact O-CB 3.41Å; G1564-A1567 PolarHBondContact O-N 3.2Å; G1564-A1567 VanDerWaalsContact O-N 3.15Å |
| 1565 | S | 81.8 | Confident | 86.6 | Confident | 48 Ų | 48 | 37.8 Ų | 37.8 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -55.4 | -34.5 | 176.5 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | A1567 Y1568 | S1565-A1567 PolarHBondContact O-N 3.25Å; S1565-A1567 VanDerWaalsContact O-N 3.11Å; S1565-Y1568 WeakPolarHBondContact O-CB 3.41Å; S1565-Y1568 PolarHBondContact O-N 2.9Å; S1565-Y1568 VanDerWaalsContact O-N 3.16Å |
| 1566 | D | 84.7 | Confident | 86.8 | Confident | 144 Ų | 144 | 38.8 Ų | 38.8 | 77% | 0.77 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -67.8 | -13.5 | -175.9 | -55.2 | -10.9 | 0 | 0 | 0 | 112.5 | G1564 Y1568 P1569 | G1564-D1566 PolarHBondContact O-N 2.93Å; D1566-Y1568 VanDerWaalsContact C-N 3.32Å; D1566-P1569 WeakPolarHBondContact O-CD 3.31Å |
| 1567 | A | 87.7 | Confident | 86.9 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -78.3 | -14.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1562 G1564 S1565 P1569 T1570 W1571 | L1562-A1567 VanDerWaalsContact C-CB 3.48Å; L1562-A1567 HydrophobicContact CB-CB 4.02Å; L1562-A1567 HydrophobicContact CD2-CB 3.84Å; L1562-A1567 WeakPolarHBondContact O-CB 3.3Å; G1564-A1567 VanDerWaalsContact O-CB 3.27Å; G1564-A1567 WeakPolarHBondContact O-CB 3.41Å; G1564-A1567 PolarHBondContact O-N 3.2Å; G1564-A1567 VanDerWaalsContact O-N 3.15Å; S1565-A1567 PolarHBondContact O-N 3.25Å; S1565-A1567 VanDerWaalsContact O-N 3.11Å; A1567-P1569 VanDerWaalsContact C-CD 3.49Å; A1567-T1570 WeakPolarHBondContact O-CB 3.19Å; A1567-T1570 PolarHBondContact O-N 3Å; A1567-T1570 VanDerWaalsContact O-N 3.09Å; A1567-W1571 VanDerWaalsContact O-CD1 3.27Å; A1567-W1571 PolarHBondContact O-N 2.95Å; A1567-W1571 VanDerWaalsContact O-N 3.14Å |
| 1568 | Y | 90 | Very high | 87.1 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.6 | -44.5 | -174.9 | 178.7 | -95.2 | 0 | 0 | 0 | 114.6 | S1565 D1566 T1570 W1571 S1572 A1611 A1615 E1821 N1824 V1825 | S1565-Y1568 WeakPolarHBondContact O-CB 3.41Å; S1565-Y1568 PolarHBondContact O-N 2.9Å; S1565-Y1568 VanDerWaalsContact O-N 3.16Å; D1566-Y1568 VanDerWaalsContact C-N 3.32Å; Y1568-T1570 PolarHBondContact O-N 3.45Å; Y1568-W1571 PolarHBondContact O-N 3.22Å; Y1568-S1572 WeakPolarHBondContact O-CB 3.45Å; Y1568-S1572 PolarHBondContact O-N 3.27Å; Y1568-S1572 PolarHBondContact O-OG 2.98Å; Y1568-A1611 VanDerWaalsContact CD2-O 3.28Å; Y1568-A1611 WeakPolarHBondContact CD2-O 3.44Å; Y1568-A1611 HydrophobicContact CE2-CB 4.5Å; Y1568-A1611 WeakPolarHBondContact CE2-O 3.49Å; Y1568-A1615 HydrophobicContact CD2-CB 3.76Å; Y1568-A1615 HydrophobicContact CE2-CB 3.68Å; Y1568-E1821 HydrophobicContact CD1-CB 3.7Å; Y1568-E1821 HydrophobicContact CD1-CG 3.38Å; Y1568-E1821 HydrophobicContact CD2-CB 3.96Å; Y1568-E1821 HydrophobicContact CD2-CG 4.35Å; Y1568-E1821 HydrophobicContact CE1-CB 3.65Å; Y1568-E1821 HydrophobicContact CE1-CG 3.74Å; Y1568-E1821 HydrophobicContact CE2-CB 3.9Å; Y1568-E1821 HydrophobicContact CG-CB 3.85Å; Y1568-E1821 HydrophobicContact CG-CG 3.72Å; Y1568-E1821 PolarHBondContact OH-O 2.89Å; Y1568-N1824 VanDerWaalsContact OH-CB 3.27Å; Y1568-N1824 WeakPolarHBondContact OH-CB 3.47Å; Y1568-N1824 PolarHBondContact OH-OD1 2.95Å; Y1568-V1825 HydrophobicContact CE2-CG2 3.69Å |
| 1569 | P | 89.5 | Confident | 87.4 | Confident | 67 Ų | 67 | 36.8 Ų | 36.8 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.4 | -31.9 | 179.4 | -23.3 | 35.6 | 0 | 0 | 0 | 113.4 | D1566 A1567 S1572 T1573 | D1566-P1569 WeakPolarHBondContact O-CD 3.31Å; A1567-P1569 VanDerWaalsContact C-CD 3.49Å; P1569-S1572 WeakPolarHBondContact CA-OG 3.46Å; P1569-S1572 PolarHBondContact O-OG 3.43Å; P1569-T1573 VanDerWaalsContact O-CB 3.3Å; P1569-T1573 WeakPolarHBondContact O-CB 3.45Å; P1569-T1573 PolarHBondContact O-N 2.86Å; P1569-T1573 VanDerWaalsContact O-N 3.17Å; P1569-T1573 PolarHBondContact O-OG1 3.42Å |
| 1570 | T | 90.2 | Very high | 87.7 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 10% | 0.098 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.8 | -48.9 | 177.8 | -54.5 | 0 | 0 | 0 | 0 | 110.3 | Y1528 M1531 I1556 L1562 A1567 Y1568 T1573 L1574 | Y1528-T1570 HydrophobicContact CD2-CG2 4.18Å; Y1528-T1570 HydrophobicContact CE2-CG2 4.22Å; M1531-T1570 HydrophobicContact CE-CG2 4.19Å; I1556-T1570 HydrophobicContact CD1-CG2 4.49Å; I1556-T1570 HydrophobicContact CG2-CG2 3.95Å; L1562-T1570 HydrophobicContact CD1-CG2 4.14Å; L1562-T1570 HydrophobicContact CD2-CG2 4.09Å; A1567-T1570 WeakPolarHBondContact O-CB 3.19Å; A1567-T1570 PolarHBondContact O-N 3Å; A1567-T1570 VanDerWaalsContact O-N 3.09Å; Y1568-T1570 PolarHBondContact O-N 3.45Å; T1570-T1573 PolarHBondContact O-N 3.47Å; T1570-L1574 PolarHBondContact O-N 2.95Å |
| 1571 | W | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 179.3 | -68.1 | 121.7 | 0 | 0 | 0 | 113 | I1556 T1557 L1562 A1567 Y1568 T1573 L1574 R1575 T1607 Y1610 A1611 S1614 | I1556-W1571 HydrophobicContact CG2-CE3 4.2Å; I1556-W1571 HydrophobicContact CG2-CH2 4.1Å; I1556-W1571 HydrophobicContact CG2-CZ3 3.86Å; T1557-W1571 HydrophobicContact CG2-CH2 3.95Å; T1557-W1571 HydrophobicContact CG2-CZ3 4.01Å; L1562-W1571 HydrophobicContact CB-CZ2 4.07Å; L1562-W1571 HydrophobicContact CD1-CZ2 4.36Å; L1562-W1571 PolarHBondContact O-NE1 3.4Å; A1567-W1571 VanDerWaalsContact O-CD1 3.27Å; A1567-W1571 PolarHBondContact O-N 2.95Å; A1567-W1571 VanDerWaalsContact O-N 3.14Å; Y1568-W1571 PolarHBondContact O-N 3.22Å; W1571-T1573 VanDerWaalsContact C-N 3.35Å; W1571-T1573 PolarHBondContact O-N 2.92Å; W1571-L1574 HydrophobicContact CE3-CD2 4.31Å; W1571-L1574 HydrophobicContact CZ3-CD2 4.17Å; W1571-L1574 PolarHBondContact O-N 2.76Å; W1571-R1575 VanDerWaalsContact O-CB 3.27Å; W1571-R1575 WeakPolarHBondContact O-CB 3.4Å; W1571-R1575 PolarHBondContact O-N 3.3Å; W1571-T1607 HydrophobicContact CE3-CG2 4.05Å; W1571-T1607 WeakPolarHBondContact O-CG2 3.32Å; W1571-Y1610 VanDerWaalsContact CD2-CB 3.45Å; W1571-Y1610 HydrophobicContact CD2-CG 4.12Å; W1571-Y1610 AromaticContact CE2-CG 3.91Å; W1571-Y1610 HydrophobicContact CE3-CD2 4.33Å; W1571-Y1610 HydrophobicContact CE3-CG 4.17Å; W1571-Y1610 HydrophobicContact CH2-CD1 4.19Å; W1571-Y1610 AromaticContact CH2-CD2 3.74Å; W1571-Y1610 HydrophobicContact CH2-CD2 3.74Å; W1571-Y1610 HydrophobicContact CH2-CE2 4.1Å; W1571-Y1610 AromaticContact CH2-CG 3.79Å; W1571-Y1610 HydrophobicContact CH2-CG 3.79Å; W1571-Y1610 AromaticContact CZ2-CD1 3.8Å; W1571-Y1610 HydrophobicContact CZ2-CD1 3.8Å; W1571-Y1610 HydrophobicContact CZ2-CD2 4.19Å; W1571-Y1610 HydrophobicContact CZ2-CE1 4.26Å; W1571-Y1610 AromaticContact CZ2-CG 3.75Å; W1571-Y1610 HydrophobicContact CZ2-CG 3.75Å; W1571-Y1610 AromaticContact CZ3-CD2 3.83Å; W1571-Y1610 HydrophobicContact CZ3-CD2 3.83Å; W1571-Y1610 HydrophobicContact CZ3-CG 4.01Å; W1571-A1611 HydrophobicContact CB-CB 3.91Å; W1571-S1614 VanDerWaalsContact CD1-OG 3.26Å |
| 1572 | S | 91.2 | Very high | 88.5 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 175.9 | 60.9 | 0 | 0 | 0 | 0 | 111.6 | Y1568 P1569 R1575 D1576 | Y1568-S1572 WeakPolarHBondContact O-CB 3.45Å; Y1568-S1572 PolarHBondContact O-N 3.27Å; Y1568-S1572 PolarHBondContact O-OG 2.98Å; P1569-S1572 WeakPolarHBondContact CA-OG 3.46Å; P1569-S1572 PolarHBondContact O-OG 3.43Å; S1572-R1575 WeakPolarHBondContact O-CB 3.31Å; S1572-R1575 PolarHBondContact O-N 2.91Å; S1572-D1576 WeakPolarHBondContact O-CB 3.39Å; S1572-D1576 PolarHBondContact O-N 2.95Å |
| 1573 | T | 91.2 | Very high | 88.6 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 177.3 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | M1531 K1535 P1569 T1570 W1571 R1575 D1576 I1577 | M1531-T1573 HydrophobicContact CE-CG2 3.67Å; M1531-T1573 HydrophobicContact CG-CG2 3.83Å; M1531-T1573 HydrophobicContact SD-CG2 3.78Å; K1535-T1573 HydrophobicContact CB-CG2 4.25Å; K1535-T1573 HydrophobicContact CD-CG2 3.65Å; K1535-T1573 HydrophobicContact CG-CG2 4.24Å; K1535-T1573 PolarHBondContact NZ-OG1 2.98Å; P1569-T1573 VanDerWaalsContact O-CB 3.3Å; P1569-T1573 WeakPolarHBondContact O-CB 3.45Å; P1569-T1573 PolarHBondContact O-N 2.86Å; P1569-T1573 VanDerWaalsContact O-N 3.17Å; P1569-T1573 PolarHBondContact O-OG1 3.42Å; T1570-T1573 PolarHBondContact O-N 3.47Å; W1571-T1573 VanDerWaalsContact C-N 3.35Å; W1571-T1573 PolarHBondContact O-N 2.92Å; T1573-R1575 VanDerWaalsContact C-N 3.31Å; T1573-R1575 PolarHBondContact O-N 3.23Å; T1573-D1576 PolarHBondContact O-N 3.4Å; T1573-I1577 HydrophobicContact CG2-CD1 3.94Å; T1573-I1577 WeakPolarHBondContact O-CB 3.37Å; T1573-I1577 WeakPolarHBondContact O-CD1 3.34Å; T1573-I1577 WeakPolarHBondContact O-CG1 3.35Å; T1573-I1577 PolarHBondContact O-N 3.42Å |
| 1574 | L | 92.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 174.8 | -177.6 | 59.2 | 0 | 0 | 0 | 111.4 | M1531 I1552 F1553 I1556 T1570 W1571 I1577 L1578 T1607 | M1531-L1574 HydrophobicContact SD-CB 3.9Å; I1552-L1574 HydrophobicContact CG2-CD1 3.82Å; F1553-L1574 HydrophobicContact CD2-CD2 4.15Å; I1556-L1574 HydrophobicContact CB-CD2 4.11Å; I1556-L1574 HydrophobicContact CD1-CB 4.28Å; I1556-L1574 HydrophobicContact CD1-CD1 4.14Å; I1556-L1574 HydrophobicContact CD1-CD2 3.99Å; I1556-L1574 HydrophobicContact CD1-CG 4.36Å; I1556-L1574 HydrophobicContact CG2-CD2 3.99Å; T1570-L1574 PolarHBondContact O-N 2.95Å; W1571-L1574 HydrophobicContact CE3-CD2 4.31Å; W1571-L1574 HydrophobicContact CZ3-CD2 4.17Å; W1571-L1574 PolarHBondContact O-N 2.76Å; L1574-I1577 PolarHBondContact O-N 3.3Å; L1574-L1578 HydrophobicContact CD1-CD1 4.15Å; L1574-L1578 HydrophobicContact CD1-CG 4.28Å; L1574-L1578 HydrophobicContact CG-CD1 4.03Å; L1574-L1578 WeakPolarHBondContact O-CB 3.31Å; L1574-L1578 WeakPolarHBondContact O-CG 3.42Å; L1574-L1578 PolarHBondContact O-N 3.32Å; L1574-T1607 HydrophobicContact CB-CG2 3.66Å; L1574-T1607 HydrophobicContact CD2-CG2 3.8Å; L1574-T1607 HydrophobicContact CG-CG2 3.62Å |
| 1575 | R | 93.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 177.7 | 179.7 | -162.4 | 71.4 | -171 | -2.8 | 110.3 | W1571 S1572 T1573 L1578 F1579 L1604 T1607 H1608 N1824 F1828 | W1571-R1575 VanDerWaalsContact O-CB 3.27Å; W1571-R1575 WeakPolarHBondContact O-CB 3.4Å; W1571-R1575 PolarHBondContact O-N 3.3Å; S1572-R1575 WeakPolarHBondContact O-CB 3.31Å; S1572-R1575 PolarHBondContact O-N 2.91Å; T1573-R1575 VanDerWaalsContact C-N 3.31Å; T1573-R1575 PolarHBondContact O-N 3.23Å; R1575-L1578 PolarHBondContact O-N 3.47Å; R1575-F1579 VanDerWaalsContact O-CB 3.26Å; R1575-F1579 WeakPolarHBondContact O-CB 3.36Å; R1575-F1579 PolarHBondContact O-N 3.49Å; R1575-L1604 HydrophobicContact CG-CD1 3.94Å; R1575-L1604 WeakPolarHBondContact O-CD1 3.3Å; R1575-T1607 HydrophobicContact CB-CG2 3.83Å; R1575-T1607 VanDerWaalsContact N-CG2 3.34Å; R1575-H1608 HydrophobicContact CG-CB 4.43Å; R1575-N1824 PolarHBondContact NH2-OD1 3.46Å; R1575-F1828 VanDerWaalsContact CD-CE1 3.44Å; R1575-F1828 HydrophobicContact CG-CD1 4.34Å; R1575-F1828 HydrophobicContact CG-CD2 4.46Å; R1575-F1828 HydrophobicContact CG-CE1 3.75Å; R1575-F1828 HydrophobicContact CG-CE2 3.88Å; R1575-F1828 HydrophobicContact CG-CZ 3.5Å; R1575-F1828 VanDerWaalsContact CG-CZ 3.5Å; R1575-F1828 VanDerWaalsContact NE-CD2 3.32Å |
| 1576 | D | 90.5 | Very high | 88.6 | Confident | 49 Ų | 49 | 28.3 Ų | 28.3 | 26% | 0.262 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -68.7 | -38.1 | -178.3 | -61.1 | -12.5 | 0 | 0 | 0 | 111.5 | S1572 T1573 F1579 D1580 | S1572-D1576 WeakPolarHBondContact O-CB 3.39Å; S1572-D1576 PolarHBondContact O-N 2.95Å; T1573-D1576 PolarHBondContact O-N 3.4Å; D1576-F1579 PolarHBondContact O-N 2.79Å; D1576-D1580 PolarHBondContact O-N 2.9Å |
| 1577 | I | 91.1 | Very high | 88.2 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.036 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 173 | -77 | 165.4 | 0 | 0 | 0 | 111.5 | M1531 K1535 T1539 T1573 L1574 F1579 L1581 | M1531-I1577 HydrophobicContact CB-CD1 4.24Å; M1531-I1577 HydrophobicContact CG-CD1 3.24Å; M1531-I1577 WeakPolarHBondContact O-CD1 3.4Å; M1531-I1577 HydrophobicContact SD-CD1 4.47Å; K1535-I1577 HydrophobicContact CB-CD1 4.34Å; T1539-I1577 HydrophobicContact CG2-CB 4.16Å; T1539-I1577 HydrophobicContact CG2-CG1 4.24Å; T1539-I1577 HydrophobicContact CG2-CG2 3.67Å; T1539-I1577 PolarHBondContact OG1-O 3.29Å; T1573-I1577 HydrophobicContact CG2-CD1 3.94Å; T1573-I1577 WeakPolarHBondContact O-CB 3.37Å; T1573-I1577 WeakPolarHBondContact O-CD1 3.34Å; T1573-I1577 WeakPolarHBondContact O-CG1 3.35Å; T1573-I1577 PolarHBondContact O-N 3.42Å; L1574-I1577 PolarHBondContact O-N 3.3Å; I1577-F1579 VanDerWaalsContact C-N 3.27Å; I1577-F1579 PolarHBondContact O-N 2.73Å; I1577-L1581 WeakPolarHBondContact O-CB 3.45Å; I1577-L1581 PolarHBondContact O-N 3.26Å |
| 1578 | L | 92.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.9 | -27.1 | 177.9 | -70.7 | 171.8 | 0 | 0 | 0 | 111.9 | F1553 L1574 R1575 L1581 N1582 F1600 M1603 L1604 T1607 | F1553-L1578 HydrophobicContact CD2-CD1 4.08Å; L1574-L1578 HydrophobicContact CD1-CD1 4.15Å; L1574-L1578 HydrophobicContact CD1-CG 4.28Å; L1574-L1578 HydrophobicContact CG-CD1 4.03Å; L1574-L1578 WeakPolarHBondContact O-CB 3.31Å; L1574-L1578 WeakPolarHBondContact O-CG 3.42Å; L1574-L1578 PolarHBondContact O-N 3.32Å; R1575-L1578 PolarHBondContact O-N 3.47Å; L1578-L1581 HydrophobicContact CD2-CD2 4.44Å; L1578-N1582 VanDerWaalsContact O-CB 3.3Å; L1578-N1582 WeakPolarHBondContact O-CB 3.44Å; L1578-N1582 PolarHBondContact O-N 2.89Å; L1578-N1582 PolarHBondContact O-ND2 3.14Å; L1578-F1600 HydrophobicContact CD2-CD1 4.13Å; L1578-M1603 HydrophobicContact CD1-CB 4Å; L1578-M1603 HydrophobicContact CD2-CB 4.46Å; L1578-L1604 HydrophobicContact CB-CB 4.14Å; L1578-L1604 HydrophobicContact CB-CD1 3.9Å; L1578-T1607 WeakPolarHBondContact CD1-OG1 3.38Å |
| 1579 | F | 91.2 | Very high | 86 | Confident | 20 Ų | 20 | 35.7 Ų | 35.7 | 9% | 0.088 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.7 | -47.8 | 174.5 | 179.6 | -121.1 | 0 | 0 | 0 | 111.7 | R1575 D1576 I1577 L1581 N1582 Q1583 L1604 F1828 Q1831 W1832 | R1575-F1579 VanDerWaalsContact O-CB 3.26Å; R1575-F1579 WeakPolarHBondContact O-CB 3.36Å; R1575-F1579 PolarHBondContact O-N 3.49Å; D1576-F1579 PolarHBondContact O-N 2.79Å; I1577-F1579 VanDerWaalsContact C-N 3.27Å; I1577-F1579 PolarHBondContact O-N 2.73Å; F1579-L1581 VanDerWaalsContact C-N 3.32Å; F1579-L1581 PolarHBondContact O-N 3.43Å; F1579-N1582 PolarHBondContact O-N 3.09Å; F1579-Q1583 HydrophobicContact CE2-CG 4.34Å; F1579-Q1583 HydrophobicContact CZ-CG 4.47Å; F1579-Q1583 WeakPolarHBondContact O-CG 3.3Å; F1579-Q1583 PolarHBondContact O-N 3.33Å; F1579-L1604 HydrophobicContact CB-CD1 4.02Å; F1579-L1604 HydrophobicContact CB-CD2 4.26Å; F1579-L1604 HydrophobicContact CD2-CD2 4.12Å; F1579-F1828 HydrophobicContact CB-CE2 3.82Å; F1579-F1828 HydrophobicContact CB-CZ 4.07Å; F1579-F1828 AromaticContact CD1-CE2 3.85Å; F1579-F1828 HydrophobicContact CD1-CE2 3.85Å; F1579-F1828 HydrophobicContact CD2-CE2 4.23Å; F1579-F1828 HydrophobicContact CD2-CZ 4.21Å; F1579-F1828 HydrophobicContact CE1-CE2 4.41Å; F1579-F1828 AromaticContact CG-CE2 3.71Å; F1579-F1828 HydrophobicContact CG-CE2 3.71Å; F1579-F1828 HydrophobicContact CG-CZ 4.06Å; F1579-Q1831 HydrophobicContact CE1-CG 4Å; F1579-Q1831 HydrophobicContact CZ-CG 4.07Å; F1579-W1832 HydrophobicContact CD2-CB 4.49Å; F1579-W1832 AromaticContact CD2-CD1 3.78Å; F1579-W1832 HydrophobicContact CD2-CG 4.19Å; F1579-W1832 HydrophobicContact CE2-CB 3.95Å; F1579-W1832 AromaticContact CE2-CD1 3.45Å; F1579-W1832 VanDerWaalsContact CE2-CD1 3.45Å; F1579-W1832 AromaticContact CE2-CG 3.92Å; F1579-W1832 HydrophobicContact CE2-CG 3.92Å; F1579-W1832 HydrophobicContact CZ-CB 4.35Å |
| 1580 | D | 88.7 | Confident | 84.5 | Confident | 52 Ų | 52 | 37.6 Ų | 37.6 | 28% | 0.278 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.5 | -44.4 | 173.3 | -178.6 | 37.2 | 0 | 0 | 0 | 110.6 | T1539 D1576 N1582 Q1583 N1584 | T1539-D1580 PolarHBondContact N-OD2 3.2Å; T1539-D1580 WeakPolarHBondContact OG1-CB 3.2Å; T1539-D1580 PolarHBondContact OG1-OD2 3.4Å; D1576-D1580 PolarHBondContact O-N 2.9Å; D1580-N1582 PolarHBondContact O-N 3.35Å; D1580-Q1583 PolarHBondContact O-N 2.8Å; D1580-N1584 VanDerWaalsContact O-CG 3.28Å; D1580-N1584 PolarHBondContact O-N 2.87Å; D1580-N1584 PolarHBondContact O-ND2 3.35Å; D1580-N1584 VanDerWaalsContact O-ND2 3.13Å; D1580-N1584 PolarHBondContact OD1-ND2 3.35Å |
| 1581 | L | 89 | Confident | 83.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 175 | 179.5 | 64.5 | 0 | 0 | 0 | 111.8 | T1539 Y1549 I1577 L1578 F1579 Q1583 N1584 L1585 F1600 | T1539-L1581 PolarHBondContact OG1-N 3.13Å; Y1549-L1581 HydrophobicContact CD2-CD1 3.93Å; Y1549-L1581 HydrophobicContact CD2-CD2 3.53Å; Y1549-L1581 HydrophobicContact CD2-CG 4.37Å; Y1549-L1581 HydrophobicContact CE2-CD1 3.53Å; Y1549-L1581 HydrophobicContact CE2-CD2 4.01Å; Y1549-L1581 HydrophobicContact CE2-CG 4.38Å; Y1549-L1581 HydrophobicContact CG-CD2 3.88Å; I1577-L1581 WeakPolarHBondContact O-CB 3.45Å; I1577-L1581 PolarHBondContact O-N 3.26Å; L1578-L1581 HydrophobicContact CD2-CD2 4.44Å; F1579-L1581 VanDerWaalsContact C-N 3.32Å; F1579-L1581 PolarHBondContact O-N 3.43Å; L1581-Q1583 VanDerWaalsContact C-N 3.29Å; L1581-Q1583 PolarHBondContact O-N 2.94Å; L1581-N1584 PolarHBondContact O-N 3.49Å; L1581-L1585 HydrophobicContact CD1-CD1 4.4Å; L1581-L1585 HydrophobicContact CD1-CG 4.27Å; L1581-L1585 HydrophobicContact CG-CD1 3.97Å; L1581-L1585 HydrophobicContact CG-CG 4.28Å; L1581-L1585 WeakPolarHBondContact O-CB 3.22Å; L1581-L1585 VanDerWaalsContact O-CG 3.23Å; L1581-L1585 WeakPolarHBondContact O-CG 3.45Å; L1581-L1585 PolarHBondContact O-N 3.1Å; L1581-F1600 HydrophobicContact CD2-CD1 3.64Å; L1581-F1600 HydrophobicContact CD2-CD2 4.32Å; L1581-F1600 HydrophobicContact CD2-CE1 3.71Å; L1581-F1600 HydrophobicContact CD2-CE2 4.37Å; L1581-F1600 HydrophobicContact CD2-CG 3.98Å; L1581-F1600 HydrophobicContact CD2-CZ 4.08Å |
| 1582 | N | 86 | Confident | 82.5 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.5 | -32.1 | 178.7 | -84 | -53 | 0 | 0 | 0 | 112.5 | L1578 F1579 D1580 K1586 F1600 L1604 | L1578-N1582 VanDerWaalsContact O-CB 3.3Å; L1578-N1582 WeakPolarHBondContact O-CB 3.44Å; L1578-N1582 PolarHBondContact O-N 2.89Å; L1578-N1582 PolarHBondContact O-ND2 3.14Å; F1579-N1582 PolarHBondContact O-N 3.09Å; D1580-N1582 PolarHBondContact O-N 3.35Å; N1582-K1586 WeakPolarHBondContact O-CB 3.41Å; N1582-K1586 VanDerWaalsContact O-CG 3.27Å; N1582-K1586 WeakPolarHBondContact O-CG 3.38Å; N1582-K1586 PolarHBondContact O-N 3.05Å; N1582-F1600 PolarHBondContact ND2-O 2.93Å; N1582-L1604 HydrophobicContact CB-CD2 4.37Å; N1582-L1604 WeakPolarHBondContact ND2-CB 3.34Å; N1582-L1604 WeakPolarHBondContact ND2-CD2 3.45Å |
| 1583 | Q | 85.6 | Confident | 81.9 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 30% | 0.304 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.2 | -45.9 | 171.1 | -70.9 | -167.8 | 25.4 | 0 | 0 | 111.7 | F1579 D1580 L1581 L1585 K1586 Q1587 | F1579-Q1583 HydrophobicContact CE2-CG 4.34Å; F1579-Q1583 HydrophobicContact CZ-CG 4.47Å; F1579-Q1583 WeakPolarHBondContact O-CG 3.3Å; F1579-Q1583 PolarHBondContact O-N 3.33Å; D1580-Q1583 PolarHBondContact O-N 2.8Å; L1581-Q1583 VanDerWaalsContact C-N 3.29Å; L1581-Q1583 PolarHBondContact O-N 2.94Å; Q1583-L1585 VanDerWaalsContact C-N 3.32Å; Q1583-L1585 PolarHBondContact O-N 2.71Å; Q1583-K1586 WeakPolarHBondContact O-CB 3.44Å; Q1583-K1586 PolarHBondContact O-N 3.2Å; Q1583-K1586 VanDerWaalsContact O-N 3.14Å; Q1583-Q1587 WeakPolarHBondContact O-CG 3.38Å; Q1583-Q1587 PolarHBondContact O-N 3.03Å; Q1583-Q1587 VanDerWaalsContact O-N 3.1Å |
| 1584 | N | 84.5 | Confident | 81.3 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -36.2 | 177.7 | -66 | -33.7 | 0 | 0 | 0 | 111.7 | T1539 A1541 D1580 L1581 Q1587 T1588 | T1539-N1584 PolarHBondContact O-ND2 2.78Å; A1541-N1584 HydrophobicContact CB-CB 3.94Å; D1580-N1584 VanDerWaalsContact O-CG 3.28Å; D1580-N1584 PolarHBondContact O-N 2.87Å; D1580-N1584 PolarHBondContact O-ND2 3.35Å; D1580-N1584 VanDerWaalsContact O-ND2 3.13Å; D1580-N1584 PolarHBondContact OD1-ND2 3.35Å; L1581-N1584 PolarHBondContact O-N 3.49Å; N1584-Q1587 PolarHBondContact O-N 3.08Å; N1584-T1588 PolarHBondContact O-N 2.9Å; N1584-T1588 PolarHBondContact O-OG1 2.84Å |
| 1585 | L | 84 | Confident | 80.8 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 171.8 | -73.1 | 172.6 | 0 | 0 | 0 | 111.9 | A1541 F1546 L1581 Q1583 Q1587 T1588 I1592 F1600 | A1541-L1585 HydrophobicContact CB-CD2 3.97Å; A1541-L1585 HydrophobicContact CB-CG 4.3Å; F1546-L1585 HydrophobicContact CE1-CD2 4.12Å; F1546-L1585 HydrophobicContact CZ-CD2 3.81Å; L1581-L1585 HydrophobicContact CD1-CD1 4.4Å; L1581-L1585 HydrophobicContact CD1-CG 4.27Å; L1581-L1585 HydrophobicContact CG-CD1 3.97Å; L1581-L1585 HydrophobicContact CG-CG 4.28Å; L1581-L1585 WeakPolarHBondContact O-CB 3.22Å; L1581-L1585 VanDerWaalsContact O-CG 3.23Å; L1581-L1585 WeakPolarHBondContact O-CG 3.45Å; L1581-L1585 PolarHBondContact O-N 3.1Å; Q1583-L1585 VanDerWaalsContact C-N 3.32Å; Q1583-L1585 PolarHBondContact O-N 2.71Å; L1585-Q1587 VanDerWaalsContact C-N 3.26Å; L1585-Q1587 PolarHBondContact O-N 2.8Å; L1585-T1588 PolarHBondContact O-N 3.02Å; L1585-I1592 HydrophobicContact CD2-CD1 3.51Å; L1585-I1592 HydrophobicContact CD2-CG2 4.28Å; L1585-F1600 HydrophobicContact CD1-CB 4.05Å; L1585-F1600 HydrophobicContact CD1-CD2 3.74Å; L1585-F1600 HydrophobicContact CD1-CG 4.16Å |
| 1586 | K | 76.4 | Confident | 80.3 | Confident | 103 Ų | 103 | 56.8 Ų | 56.8 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.8 | -26.7 | 175.9 | -77.8 | 175.3 | -176.6 | -176.6 | 0 | 113.1 | N1582 Q1583 K1589 E1601 | N1582-K1586 WeakPolarHBondContact O-CB 3.41Å; N1582-K1586 VanDerWaalsContact O-CG 3.27Å; N1582-K1586 WeakPolarHBondContact O-CG 3.38Å; N1582-K1586 PolarHBondContact O-N 3.05Å; Q1583-K1586 WeakPolarHBondContact O-CB 3.44Å; Q1583-K1586 PolarHBondContact O-N 3.2Å; Q1583-K1586 VanDerWaalsContact O-N 3.14Å; K1586-K1589 WeakPolarHBondContact O-CD 3.4Å; K1586-K1589 WeakPolarHBondContact O-CE 3.45Å; K1586-K1589 WeakPolarHBondContact O-CG 3.47Å; K1586-E1601 WeakPolarHBondContact CE-OE1 3.23Å; K1586-E1601 IonicContact NZ-OE1 3.86Å |
| 1587 | Q | 75 | Confident | 80.1 | Confident | 120 Ų | 120 | 55.8 Ų | 55.8 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -81.3 | -31.4 | 174.1 | -66.5 | 177.8 | 10.1 | 0 | 0 | 112.6 | Q1583 N1584 L1585 K1589 | Q1583-Q1587 WeakPolarHBondContact O-CG 3.38Å; Q1583-Q1587 PolarHBondContact O-N 3.03Å; Q1583-Q1587 VanDerWaalsContact O-N 3.1Å; N1584-Q1587 PolarHBondContact O-N 3.08Å; L1585-Q1587 VanDerWaalsContact C-N 3.26Å; L1585-Q1587 PolarHBondContact O-N 2.8Å; Q1587-K1589 PolarHBondContact O-N 2.84Å |
| 1588 | T | 69.4 | Low | 79.8 | Confident | 60 Ų | 60 | 62 Ų | 62 | 37% | 0.368 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -100 | 31.7 | -174 | -34.7 | 0 | 0 | 0 | 0 | 113 | N1584 L1585 S1590 | N1584-T1588 PolarHBondContact O-N 2.9Å; N1584-T1588 PolarHBondContact O-OG1 2.84Å; L1585-T1588 PolarHBondContact O-N 3.02Å; T1588-S1590 PolarHBondContact O-N 2.82Å |
| 1589 | K | 62.2 | Low | 79.7 | Confident | 139 Ų | 139 | 63.8 Ų | 63.8 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.5 | -167.7 | -83.4 | 178.6 | -178.9 | -175.7 | 0 | 116.3 | K1586 Q1587 D1591 | K1586-K1589 WeakPolarHBondContact O-CD 3.4Å; K1586-K1589 WeakPolarHBondContact O-CE 3.45Å; K1586-K1589 WeakPolarHBondContact O-CG 3.47Å; Q1587-K1589 PolarHBondContact O-N 2.84Å; K1589-D1591 PolarHBondContact O-N 2.77Å |
| 1590 | S | 58.1 | Low | 79.7 | Confident | 106 Ų | 106 | 62.9 Ų | 62.9 | 74% | 0.741 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -26.3 | -172.3 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | T1588 | T1588-S1590 PolarHBondContact O-N 2.82Š|
| 1591 | D | 66.2 | Low | 79.7 | Confident | 105 Ų | 105 | 64 Ų | 64 | 56% | 0.561 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -117 | -4.9 | -163.4 | -68.1 | 13.5 | 0 | 0 | 0 | 114.5 | K1543 K1589 | K1543-D1591 WeakPolarHBondContact CE-O 3.31Å; K1543-D1591 PolarHBondContact NZ-O 3.06Å; K1589-D1591 PolarHBondContact O-N 2.77Å |
| 1592 | I | 74.6 | Confident | 79.7 | Confident | 17 Ų | 17 | 67.9 Ų | 67.9 | 9% | 0.087 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -119.4 | 132.9 | -167.1 | -58.4 | 162.8 | 0 | 0 | 0 | 110.9 | F1546 L1585 I1596 I1597 | F1546-I1592 HydrophobicContact CE2-CD1 4.46Å; F1546-I1592 HydrophobicContact CE2-CG1 4.46Å; F1546-I1592 HydrophobicContact CE2-CG2 4.01Å; F1546-I1592 HydrophobicContact CZ-CD1 3.85Å; F1546-I1592 HydrophobicContact CZ-CG1 4.32Å; F1546-I1592 HydrophobicContact CZ-CG2 4.32Å; L1585-I1592 HydrophobicContact CD2-CD1 3.51Å; L1585-I1592 HydrophobicContact CD2-CG2 4.28Å; I1592-I1596 HydrophobicContact CG2-CB 4.22Å; I1592-I1596 HydrophobicContact CG2-CG2 4.2Å; I1592-I1597 HydrophobicContact CG2-CG1 4.31Å |
| 1593 | Q | 77.7 | Confident | 80.1 | Confident | 87 Ų | 87 | 68 Ų | 68 | 41% | 0.407 | 34% | 0.338 | S | S | . | . | trans | -59.1 | 138.4 | -178.8 | -72.8 | 175.9 | -16.9 | 0 | 0 | 112.6 | E1595 I1596 I1597 | Q1593-E1595 VanDerWaalsContact C-N 3.25Å; Q1593-E1595 PolarHBondContact O-N 2.73Å; Q1593-I1596 HydrophobicContact CB-CD1 4.14Å; Q1593-I1596 HydrophobicContact CB-CG1 4.21Å; Q1593-I1596 PolarHBondContact O-N 3.08Å; Q1593-I1596 VanDerWaalsContact O-N 3.15Å; Q1593-I1597 PolarHBondContact O-N 3.19Å | ||
| 1594 | P | 80.5 | Confident | 80.5 | Confident | 77 Ų | 77 | 65 Ų | 65 | 50% | 0.5 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -27 | -177.8 | 26.6 | -33.7 | 0 | 0 | 0 | 113.3 | I1597 K1598 | P1594-I1597 PolarHBondContact O-N 3.29Å; P1594-K1598 WeakPolarHBondContact O-CG 3.49Å; P1594-K1598 PolarHBondContact O-N 3.17Å |
| 1595 | E | 81.2 | Confident | 80.8 | Confident | 114 Ų | 114 | 65.2 Ų | 65.2 | 53% | 0.533 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 175.3 | -61.8 | 72.8 | -155.5 | 0 | 0 | 111.7 | Q1593 I1597 K1598 L1599 | Q1593-E1595 VanDerWaalsContact C-N 3.25Å; Q1593-E1595 PolarHBondContact O-N 2.73Å; E1595-I1597 VanDerWaalsContact C-N 3.34Å; E1595-K1598 PolarHBondContact O-N 2.54Å; E1595-L1599 WeakPolarHBondContact O-CB 3.27Å; E1595-L1599 PolarHBondContact O-N 3.23Å |
| 1596 | I | 83.5 | Confident | 81.2 | Confident | 39 Ų | 39 | 65.1 Ų | 65.1 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.9 | -62.4 | 176.4 | 0 | 0 | 0 | 109.9 | F1546 I1592 Q1593 L1599 F1600 | F1546-I1596 HydrophobicContact CD2-CG2 4.01Å; F1546-I1596 HydrophobicContact CE2-CG2 4.07Å; I1592-I1596 HydrophobicContact CG2-CB 4.22Å; I1592-I1596 HydrophobicContact CG2-CG2 4.2Å; Q1593-I1596 HydrophobicContact CB-CD1 4.14Å; Q1593-I1596 HydrophobicContact CB-CG1 4.21Å; Q1593-I1596 PolarHBondContact O-N 3.08Å; Q1593-I1596 VanDerWaalsContact O-N 3.15Å; I1596-L1599 PolarHBondContact O-N 3.47Å; I1596-F1600 HydrophobicContact CG2-CD2 3.7Å; I1596-F1600 HydrophobicContact CG2-CE2 3.5Å; I1596-F1600 VanDerWaalsContact O-CD2 3.22Å; I1596-F1600 WeakPolarHBondContact O-CD2 3.4Å; I1596-F1600 PolarHBondContact O-N 2.89Å |
| 1597 | I | 84.4 | Confident | 82 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 175.3 | -59.9 | 173 | 0 | 0 | 0 | 109.8 | I1592 Q1593 P1594 E1595 L1599 F1600 E1601 | I1592-I1597 HydrophobicContact CG2-CG1 4.31Å; Q1593-I1597 PolarHBondContact O-N 3.19Å; P1594-I1597 PolarHBondContact O-N 3.29Å; E1595-I1597 VanDerWaalsContact C-N 3.34Å; I1597-L1599 VanDerWaalsContact C-N 3.3Å; I1597-L1599 PolarHBondContact O-N 2.92Å; I1597-F1600 PolarHBondContact O-N 3.33Å; I1597-E1601 HydrophobicContact CG2-CG 4.45Å; I1597-E1601 WeakPolarHBondContact O-CB 3.35Å; I1597-E1601 WeakPolarHBondContact O-CG 3.49Å; I1597-E1601 PolarHBondContact O-N 2.75Å |
| 1598 | K | 86 | Confident | 82.9 | Confident | 138 Ų | 138 | 54.5 Ų | 54.5 | 60% | 0.6 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.2 | -38.6 | 176.3 | -74 | 179.3 | -179.1 | 179.5 | 0 | 112.4 | P1594 E1595 E1601 R1602 | P1594-K1598 WeakPolarHBondContact O-CG 3.49Å; P1594-K1598 PolarHBondContact O-N 3.17Å; E1595-K1598 PolarHBondContact O-N 2.54Å; K1598-E1601 PolarHBondContact O-N 2.99Å; K1598-R1602 WeakPolarHBondContact O-CB 3.49Å; K1598-R1602 WeakPolarHBondContact O-CG 3.46Å; K1598-R1602 PolarHBondContact O-N 2.85Å |
| 1599 | L | 89.4 | Confident | 84 | Confident | 39 Ų | 39 | 51.7 Ų | 51.7 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 177.2 | -178.9 | 65.1 | 0 | 0 | 0 | 111.8 | E1595 I1596 I1597 E1601 R1602 M1603 I1640 | E1595-L1599 WeakPolarHBondContact O-CB 3.27Å; E1595-L1599 PolarHBondContact O-N 3.23Å; I1596-L1599 PolarHBondContact O-N 3.47Å; I1597-L1599 VanDerWaalsContact C-N 3.3Å; I1597-L1599 PolarHBondContact O-N 2.92Å; L1599-E1601 VanDerWaalsContact C-N 3.33Å; L1599-R1602 PolarHBondContact O-N 3.25Å; L1599-M1603 HydrophobicContact CD1-CE 4.1Å; L1599-M1603 HydrophobicContact CD2-CE 4.29Å; L1599-M1603 HydrophobicContact CG-CE 4.02Å; L1599-M1603 HydrophobicContact CG-SD 4.49Å; L1599-M1603 WeakPolarHBondContact O-CG 3.21Å; L1599-M1603 PolarHBondContact O-N 2.89Å; L1599-I1640 HydrophobicContact CD1-CG2 3.93Å |
| 1600 | F | 90.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69 | -29.8 | 176.5 | -74.1 | -62.3 | 0 | 0 | 0 | 112.7 | F1546 K1550 L1578 L1581 N1582 L1585 I1596 I1597 M1603 L1604 | F1546-F1600 HydrophobicContact CB-CE2 4.26Å; F1546-F1600 HydrophobicContact CB-CZ 4.02Å; F1546-F1600 HydrophobicContact CD1-CE2 4.12Å; F1546-F1600 HydrophobicContact CD1-CZ 4.29Å; F1546-F1600 HydrophobicContact CD2-CE2 4.38Å; F1546-F1600 HydrophobicContact CG-CE2 4.01Å; F1546-F1600 HydrophobicContact CG-CZ 4.19Å; K1550-F1600 HydrophobicContact CG-CE1 4.39Å; K1550-F1600 HydrophobicContact CG-CZ 4.37Å; L1578-F1600 HydrophobicContact CD2-CD1 4.13Å; L1581-F1600 HydrophobicContact CD2-CD1 3.64Å; L1581-F1600 HydrophobicContact CD2-CD2 4.32Å; L1581-F1600 HydrophobicContact CD2-CE1 3.71Å; L1581-F1600 HydrophobicContact CD2-CE2 4.37Å; L1581-F1600 HydrophobicContact CD2-CG 3.98Å; L1581-F1600 HydrophobicContact CD2-CZ 4.08Å; N1582-F1600 PolarHBondContact ND2-O 2.93Å; L1585-F1600 HydrophobicContact CD1-CB 4.05Å; L1585-F1600 HydrophobicContact CD1-CD2 3.74Å; L1585-F1600 HydrophobicContact CD1-CG 4.16Å; I1596-F1600 HydrophobicContact CG2-CD2 3.7Å; I1596-F1600 HydrophobicContact CG2-CE2 3.5Å; I1596-F1600 VanDerWaalsContact O-CD2 3.22Å; I1596-F1600 WeakPolarHBondContact O-CD2 3.4Å; I1596-F1600 PolarHBondContact O-N 2.89Å; I1597-F1600 PolarHBondContact O-N 3.33Å; F1600-M1603 HydrophobicContact CD1-SD 3.94Å; F1600-M1603 HydrophobicContact CE1-SD 4.19Å; F1600-L1604 WeakPolarHBondContact O-CB 3.41Å; F1600-L1604 PolarHBondContact O-N 2.88Å |
| 1601 | E | 88.8 | Confident | 87 | Confident | 75 Ų | 75 | 40 Ų | 40 | 35% | 0.35 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.3 | -40.3 | 170.5 | -74.5 | -174.9 | 156.2 | 0 | 0 | 111.9 | K1586 I1597 K1598 L1599 L1604 L1605 | K1586-E1601 WeakPolarHBondContact CE-OE1 3.23Å; K1586-E1601 IonicContact NZ-OE1 3.86Å; I1597-E1601 HydrophobicContact CG2-CG 4.45Å; I1597-E1601 WeakPolarHBondContact O-CB 3.35Å; I1597-E1601 WeakPolarHBondContact O-CG 3.49Å; I1597-E1601 PolarHBondContact O-N 2.75Å; K1598-E1601 PolarHBondContact O-N 2.99Å; L1599-E1601 VanDerWaalsContact C-N 3.33Å; E1601-L1604 PolarHBondContact O-N 3.33Å; E1601-L1605 PolarHBondContact O-N 2.92Å |
| 1602 | R | 90.6 | Very high | 88.2 | Confident | 83 Ų | 83 | 35 Ų | 35 | 31% | 0.313 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 172.2 | -73.4 | 176.4 | 78.2 | -150.9 | -3.3 | 111.6 | K1598 L1599 L1604 L1605 V1606 D1639 I1640 | K1598-R1602 WeakPolarHBondContact O-CB 3.49Å; K1598-R1602 WeakPolarHBondContact O-CG 3.46Å; K1598-R1602 PolarHBondContact O-N 2.85Å; L1599-R1602 PolarHBondContact O-N 3.25Å; R1602-L1604 VanDerWaalsContact C-N 3.32Å; R1602-L1604 PolarHBondContact O-N 3.08Å; R1602-L1605 PolarHBondContact O-N 3.42Å; R1602-V1606 WeakPolarHBondContact O-CG2 3.16Å; R1602-V1606 PolarHBondContact O-N 2.88Å; R1602-D1639 IonicContact CZ-OD1 3.08Å; R1602-D1639 IonicContact CZ-OD2 3.73Å; R1602-D1639 VanDerWaalsContact CZ-OD2 3.27Å; R1602-D1639 IonicContact NH1-OD1 3.08Å; R1602-D1639 IonicContact NH1-OD2 2.86Å; R1602-D1639 PolarHBondContact NH1-OD2 3.46Å; R1602-D1639 IonicContact NH2-OD1 3.96Å; R1602-D1639 PolarHBondContact NH2-OD1 3.16Å; R1602-D1639 IonicContact NH2-OD2 3.96Å; R1602-D1639 PolarHBondContact NH2-OD2 2.92Å; R1602-I1640 HydrophobicContact CB-CD1 4.29Å |
| 1603 | M | 93.1 | Very high | 89 | Confident | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.2 | -40.6 | 175.9 | -72.9 | 178.1 | 172.1 | 0 | 0 | 111.9 | K1550 F1553 L1578 L1599 F1600 T1607 | K1550-M1603 HydrophobicContact CG-CE 4.21Å; F1553-M1603 HydrophobicContact CB-SD 4.23Å; F1553-M1603 HydrophobicContact CD1-CE 3.79Å; F1553-M1603 HydrophobicContact CD1-CG 4.01Å; F1553-M1603 HydrophobicContact CD1-SD 4.08Å; F1553-M1603 HydrophobicContact CD2-CB 3.88Å; F1553-M1603 HydrophobicContact CD2-CG 3.99Å; F1553-M1603 HydrophobicContact CD2-SD 4.41Å; F1553-M1603 HydrophobicContact CE1-CE 4.21Å; F1553-M1603 HydrophobicContact CE1-CG 3.96Å; F1553-M1603 HydrophobicContact CE2-CB 3.78Å; F1553-M1603 HydrophobicContact CE2-CG 3.93Å; F1553-M1603 HydrophobicContact CG-CB 4.38Å; F1553-M1603 HydrophobicContact CG-CE 4.28Å; F1553-M1603 HydrophobicContact CG-CG 4.02Å; F1553-M1603 HydrophobicContact CG-SD 3.98Å; F1553-M1603 HydrophobicContact CZ-CB 4.21Å; F1553-M1603 HydrophobicContact CZ-CG 3.91Å; L1578-M1603 HydrophobicContact CD1-CB 4Å; L1578-M1603 HydrophobicContact CD2-CB 4.46Å; L1599-M1603 HydrophobicContact CD1-CE 4.1Å; L1599-M1603 HydrophobicContact CD2-CE 4.29Å; L1599-M1603 HydrophobicContact CG-CE 4.02Å; L1599-M1603 HydrophobicContact CG-SD 4.49Å; L1599-M1603 WeakPolarHBondContact O-CG 3.21Å; L1599-M1603 PolarHBondContact O-N 2.89Å; F1600-M1603 HydrophobicContact CD1-SD 3.94Å; F1600-M1603 HydrophobicContact CE1-SD 4.19Å; M1603-T1607 WeakPolarHBondContact O-CB 3.48Å; M1603-T1607 PolarHBondContact O-N 2.81Å; M1603-T1607 PolarHBondContact O-OG1 2.84Å |
| 1604 | L | 93.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 175.3 | 177.1 | 59.6 | 0 | 0 | 0 | 111.8 | R1575 L1578 F1579 N1582 F1600 E1601 R1602 T1607 H1608 F1828 W1832 | R1575-L1604 HydrophobicContact CG-CD1 3.94Å; R1575-L1604 WeakPolarHBondContact O-CD1 3.3Å; L1578-L1604 HydrophobicContact CB-CB 4.14Å; L1578-L1604 HydrophobicContact CB-CD1 3.9Å; F1579-L1604 HydrophobicContact CB-CD1 4.02Å; F1579-L1604 HydrophobicContact CB-CD2 4.26Å; F1579-L1604 HydrophobicContact CD2-CD2 4.12Å; N1582-L1604 HydrophobicContact CB-CD2 4.37Å; N1582-L1604 WeakPolarHBondContact ND2-CB 3.34Å; N1582-L1604 WeakPolarHBondContact ND2-CD2 3.45Å; F1600-L1604 WeakPolarHBondContact O-CB 3.41Å; F1600-L1604 PolarHBondContact O-N 2.88Å; E1601-L1604 PolarHBondContact O-N 3.33Å; R1602-L1604 VanDerWaalsContact C-N 3.32Å; R1602-L1604 PolarHBondContact O-N 3.08Å; L1604-T1607 PolarHBondContact O-N 2.84Å; L1604-H1608 WeakPolarHBondContact O-CB 3.39Å; L1604-H1608 PolarHBondContact O-N 2.91Å; L1604-F1828 HydrophobicContact CD1-CZ 4.15Å; L1604-W1832 HydrophobicContact CB-CZ2 4.29Å; L1604-W1832 HydrophobicContact CD2-CD2 4.42Å; L1604-W1832 VanDerWaalsContact CD2-CE2 3.45Å; L1604-W1832 HydrophobicContact CD2-CH2 4.26Å; L1604-W1832 HydrophobicContact CD2-CZ2 3.32Å; L1604-W1832 HydrophobicContact CG-CH2 3.92Å; L1604-W1832 HydrophobicContact CG-CZ2 3.46Å; L1604-W1832 VanDerWaalsContact CG-CZ2 3.46Å |
| 1605 | L | 92.1 | Very high | 89.9 | Confident | 29 Ų | 29 | 26.4 Ų | 26.4 | 15% | 0.152 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 177 | -175.6 | 67.3 | 0 | 0 | 0 | 112.1 | E1601 R1602 T1607 H1608 Y1609 W1832 | E1601-L1605 PolarHBondContact O-N 2.92Å; R1602-L1605 PolarHBondContact O-N 3.42Å; L1605-T1607 PolarHBondContact O-N 2.74Å; L1605-H1608 WeakPolarHBondContact O-CB 3.38Å; L1605-H1608 PolarHBondContact O-N 2.88Å; L1605-Y1609 HydrophobicContact CD1-CE1 4.48Å; L1605-Y1609 HydrophobicContact CD1-CE2 3.81Å; L1605-Y1609 HydrophobicContact CD2-CE2 3.89Å; L1605-Y1609 HydrophobicContact CG-CD2 4.07Å; L1605-Y1609 HydrophobicContact CG-CE2 3.48Å; L1605-Y1609 VanDerWaalsContact CG-CE2 3.48Å; L1605-Y1609 WeakPolarHBondContact O-CD2 3.4Å; L1605-Y1609 PolarHBondContact O-N 3.03Å; L1605-W1832 HydrophobicContact CB-CH2 4.26Å; L1605-W1832 HydrophobicContact CD1-CH2 3.94Å; L1605-W1832 HydrophobicContact CD1-CZ3 4.33Å |
| 1606 | V | 92.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 176.2 | 165.5 | 0 | 0 | 0 | 0 | 111.7 | F1553 R1602 H1608 Y1609 Y1610 L1634 H1637 I1640 L1641 | F1553-V1606 HydrophobicContact CE2-CB 4.47Å; F1553-V1606 HydrophobicContact CE2-CG1 4.18Å; F1553-V1606 HydrophobicContact CZ-CB 4.34Å; F1553-V1606 HydrophobicContact CZ-CG1 3.92Å; R1602-V1606 WeakPolarHBondContact O-CG2 3.16Å; R1602-V1606 PolarHBondContact O-N 2.88Å; V1606-H1608 VanDerWaalsContact C-N 3.29Å; V1606-H1608 PolarHBondContact O-N 2.79Å; V1606-Y1609 WeakPolarHBondContact O-CB 3.47Å; V1606-Y1609 PolarHBondContact O-N 3.25Å; V1606-Y1609 VanDerWaalsContact O-N 3.16Å; V1606-Y1610 HydrophobicContact CG1-CD2 3.84Å; V1606-Y1610 HydrophobicContact CG1-CE2 3.71Å; V1606-Y1610 WeakPolarHBondContact O-CD2 3.23Å; V1606-Y1610 PolarHBondContact O-N 2.95Å; V1606-L1634 HydrophobicContact CG1-CD2 4.08Å; V1606-H1637 HydrophobicContact CG2-CB 3.62Å; V1606-I1640 HydrophobicContact CG2-CD1 3.89Å; V1606-L1641 HydrophobicContact CG1-CD1 3.68Å; V1606-L1641 HydrophobicContact CG1-CD2 3.72Å; V1606-L1641 HydrophobicContact CG1-CG 3.97Å |
| 1607 | T | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65 | -36.5 | 178.6 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | W1571 L1574 R1575 L1578 M1603 L1604 L1605 Y1610 A1611 | W1571-T1607 HydrophobicContact CE3-CG2 4.05Å; W1571-T1607 WeakPolarHBondContact O-CG2 3.32Å; L1574-T1607 HydrophobicContact CB-CG2 3.66Å; L1574-T1607 HydrophobicContact CD2-CG2 3.8Å; L1574-T1607 HydrophobicContact CG-CG2 3.62Å; R1575-T1607 HydrophobicContact CB-CG2 3.83Å; R1575-T1607 VanDerWaalsContact N-CG2 3.34Å; L1578-T1607 WeakPolarHBondContact CD1-OG1 3.38Å; M1603-T1607 WeakPolarHBondContact O-CB 3.48Å; M1603-T1607 PolarHBondContact O-N 2.81Å; M1603-T1607 PolarHBondContact O-OG1 2.84Å; L1604-T1607 PolarHBondContact O-N 2.84Å; L1605-T1607 PolarHBondContact O-N 2.74Å; T1607-Y1610 PolarHBondContact O-N 2.97Å; T1607-A1611 WeakPolarHBondContact O-CB 3.47Å; T1607-A1611 PolarHBondContact O-N 3.39Å |
| 1608 | H | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 171.9 | 176.2 | 74.1 | 0 | 0 | 0 | 111.8 | R1575 L1604 L1605 V1606 Y1610 A1611 I1612 I1782 F1828 W1832 | R1575-H1608 HydrophobicContact CG-CB 4.43Å; L1604-H1608 WeakPolarHBondContact O-CB 3.39Å; L1604-H1608 PolarHBondContact O-N 2.91Å; L1605-H1608 WeakPolarHBondContact O-CB 3.38Å; L1605-H1608 PolarHBondContact O-N 2.88Å; V1606-H1608 VanDerWaalsContact C-N 3.29Å; V1606-H1608 PolarHBondContact O-N 2.79Å; H1608-Y1610 PolarHBondContact O-N 2.84Å; H1608-A1611 PolarHBondContact O-N 3.1Å; H1608-I1612 WeakPolarHBondContact O-CG2 3.37Å; H1608-I1612 PolarHBondContact O-N 3.37Å; H1608-I1782 WeakPolarHBondContact NE2-CG2 2.89Å; H1608-I1782 PolarHBondContact NE2-O 3.08Å; H1608-F1828 AromaticContact ND1-CD1 3.7Å; H1608-F1828 AromaticContact ND1-CE1 3.74Å; H1608-W1832 HydrophobicContact CB-CH2 4.45Å; H1608-W1832 HydrophobicContact CB-CZ3 3.98Å; H1608-W1832 AromaticContact CG-CZ3 3.87Å |
| 1609 | Y | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 175.6 | -73 | -40.6 | 0 | 0 | 0 | 112.5 | L1605 V1606 I1612 R1613 I1630 L1634 C1781 I1782 G1785 | L1605-Y1609 HydrophobicContact CD1-CE1 4.48Å; L1605-Y1609 HydrophobicContact CD1-CE2 3.81Å; L1605-Y1609 HydrophobicContact CD2-CE2 3.89Å; L1605-Y1609 HydrophobicContact CG-CD2 4.07Å; L1605-Y1609 HydrophobicContact CG-CE2 3.48Å; L1605-Y1609 VanDerWaalsContact CG-CE2 3.48Å; L1605-Y1609 WeakPolarHBondContact O-CD2 3.4Å; L1605-Y1609 PolarHBondContact O-N 3.03Å; V1606-Y1609 WeakPolarHBondContact O-CB 3.47Å; V1606-Y1609 PolarHBondContact O-N 3.25Å; V1606-Y1609 VanDerWaalsContact O-N 3.16Å; Y1609-I1612 VanDerWaalsContact O-CG2 3.29Å; Y1609-I1612 WeakPolarHBondContact O-CG2 3.34Å; Y1609-R1613 VanDerWaalsContact O-CB 3.28Å; Y1609-R1613 WeakPolarHBondContact O-CB 3.46Å; Y1609-R1613 PolarHBondContact O-N 3.32Å; Y1609-I1630 HydrophobicContact CG-CG2 4.46Å; Y1609-I1630 WeakPolarHBondContact O-CG2 3.23Å; Y1609-L1634 HydrophobicContact CD2-CD2 4.37Å; Y1609-C1781 PolarHBondContact OH-O 2.92Å; Y1609-I1782 VanDerWaalsContact CE1-O 3.26Å; Y1609-I1782 WeakPolarHBondContact CE1-O 3.39Å; Y1609-G1785 VanDerWaalsContact OH-CA 3.3Å; Y1609-G1785 WeakPolarHBondContact OH-CA 3.14Å |
| 1610 | Y | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 172.8 | -78.7 | -69.3 | 0 | 0 | 0 | 113.3 | W1571 V1606 T1607 H1608 R1613 S1614 L1634 L1641 | W1571-Y1610 VanDerWaalsContact CD2-CB 3.45Å; W1571-Y1610 HydrophobicContact CD2-CG 4.12Å; W1571-Y1610 AromaticContact CE2-CG 3.91Å; W1571-Y1610 HydrophobicContact CE3-CD2 4.33Å; W1571-Y1610 HydrophobicContact CE3-CG 4.17Å; W1571-Y1610 HydrophobicContact CH2-CD1 4.19Å; W1571-Y1610 AromaticContact CH2-CD2 3.74Å; W1571-Y1610 HydrophobicContact CH2-CD2 3.74Å; W1571-Y1610 HydrophobicContact CH2-CE2 4.1Å; W1571-Y1610 AromaticContact CH2-CG 3.79Å; W1571-Y1610 HydrophobicContact CH2-CG 3.79Å; W1571-Y1610 AromaticContact CZ2-CD1 3.8Å; W1571-Y1610 HydrophobicContact CZ2-CD1 3.8Å; W1571-Y1610 HydrophobicContact CZ2-CD2 4.19Å; W1571-Y1610 HydrophobicContact CZ2-CE1 4.26Å; W1571-Y1610 AromaticContact CZ2-CG 3.75Å; W1571-Y1610 HydrophobicContact CZ2-CG 3.75Å; W1571-Y1610 AromaticContact CZ3-CD2 3.83Å; W1571-Y1610 HydrophobicContact CZ3-CD2 3.83Å; W1571-Y1610 HydrophobicContact CZ3-CG 4.01Å; V1606-Y1610 HydrophobicContact CG1-CD2 3.84Å; V1606-Y1610 HydrophobicContact CG1-CE2 3.71Å; V1606-Y1610 WeakPolarHBondContact O-CD2 3.23Å; V1606-Y1610 PolarHBondContact O-N 2.95Å; T1607-Y1610 PolarHBondContact O-N 2.97Å; H1608-Y1610 PolarHBondContact O-N 2.84Å; Y1610-R1613 VanDerWaalsContact CE1-NH2 3.33Å; Y1610-R1613 PolarHBondContact O-N 3.05Å; Y1610-S1614 WeakPolarHBondContact O-CB 3.41Å; Y1610-S1614 PolarHBondContact O-N 3.26Å; Y1610-S1614 PolarHBondContact O-OG 3.23Å; Y1610-L1634 HydrophobicContact CD1-CD1 4.04Å; Y1610-L1634 HydrophobicContact CD2-CD1 4.4Å; Y1610-L1634 HydrophobicContact CD2-CD2 4.28Å; Y1610-L1634 HydrophobicContact CE1-CD1 3.67Å; Y1610-L1634 HydrophobicContact CE2-CD1 4.05Å; Y1610-L1634 HydrophobicContact CE2-CD2 3.98Å; Y1610-L1634 HydrophobicContact CG-CD1 4.39Å; Y1610-L1641 HydrophobicContact CE2-CD1 3.87Å; Y1610-L1641 HydrophobicContact CE2-CD2 3.81Å; Y1610-L1641 HydrophobicContact CE2-CG 4.5Å |
| 1611 | A | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1568 W1571 T1607 H1608 S1614 A1615 | Y1568-A1611 VanDerWaalsContact CD2-O 3.28Å; Y1568-A1611 WeakPolarHBondContact CD2-O 3.44Å; Y1568-A1611 HydrophobicContact CE2-CB 4.5Å; Y1568-A1611 WeakPolarHBondContact CE2-O 3.49Å; W1571-A1611 HydrophobicContact CB-CB 3.91Å; T1607-A1611 WeakPolarHBondContact O-CB 3.47Å; T1607-A1611 PolarHBondContact O-N 3.39Å; H1608-A1611 PolarHBondContact O-N 3.1Å; A1611-S1614 PolarHBondContact O-N 2.92Å; A1611-A1615 WeakPolarHBondContact O-CB 3.39Å; A1611-A1615 PolarHBondContact O-N 3.27Å |
| 1612 | I | 91.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.5 | -37.4 | 176.6 | -166.7 | 169.1 | 0 | 0 | 0 | 111.4 | H1608 Y1609 S1614 A1615 L1616 I1630 I1783 F1810 V1825 | H1608-I1612 WeakPolarHBondContact O-CG2 3.37Å; H1608-I1612 PolarHBondContact O-N 3.37Å; Y1609-I1612 VanDerWaalsContact O-CG2 3.29Å; Y1609-I1612 WeakPolarHBondContact O-CG2 3.34Å; I1612-S1614 PolarHBondContact O-N 2.96Å; I1612-A1615 PolarHBondContact O-N 2.72Å; I1612-L1616 HydrophobicContact CG1-CD1 4.1Å; I1612-L1616 HydrophobicContact CG1-CG 4.24Å; I1612-L1616 WeakPolarHBondContact O-CB 3.32Å; I1612-L1616 VanDerWaalsContact O-CG 3.25Å; I1612-L1616 WeakPolarHBondContact O-CG 3.47Å; I1612-L1616 PolarHBondContact O-N 3.46Å; I1612-I1630 HydrophobicContact CG2-CD1 3.86Å; I1612-I1783 HydrophobicContact CD1-CB 4.2Å; I1612-I1783 HydrophobicContact CD1-CG1 4.2Å; I1612-I1783 HydrophobicContact CD1-CG2 3.84Å; I1612-F1810 HydrophobicContact CD1-CD2 4.19Å; I1612-F1810 HydrophobicContact CD1-CE2 3.97Å; I1612-F1810 HydrophobicContact CD1-CZ 4.4Å; I1612-F1810 HydrophobicContact CG1-CE2 4.11Å; I1612-V1825 HydrophobicContact CB-CG1 4.09Å; I1612-V1825 HydrophobicContact CD1-CG1 3.92Å; I1612-V1825 HydrophobicContact CG1-CG1 3.92Å |
| 1613 | R | 90.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57 | -48.7 | 172.8 | -167.2 | 179.2 | 72.6 | 177.7 | 2.5 | 111.4 | Y1609 Y1610 A1615 L1616 L1617 V1627 I1630 S1631 E1649 | Y1609-R1613 VanDerWaalsContact O-CB 3.28Å; Y1609-R1613 WeakPolarHBondContact O-CB 3.46Å; Y1609-R1613 PolarHBondContact O-N 3.32Å; Y1610-R1613 VanDerWaalsContact CE1-NH2 3.33Å; Y1610-R1613 PolarHBondContact O-N 3.05Å; R1613-A1615 PolarHBondContact O-N 2.88Å; R1613-L1616 PolarHBondContact O-N 3.26Å; R1613-L1617 HydrophobicContact CG-CD1 4.36Å; R1613-L1617 WeakPolarHBondContact O-CG 3.41Å; R1613-L1617 PolarHBondContact O-N 3.48Å; R1613-V1627 HydrophobicContact CG-CG1 3.91Å; R1613-I1630 HydrophobicContact CB-CD1 4.34Å; R1613-I1630 HydrophobicContact CB-CG2 4.06Å; R1613-I1630 HydrophobicContact CG-CG2 4.49Å; R1613-S1631 WeakPolarHBondContact CD-OG 3.32Å; R1613-S1631 PolarHBondContact NH1-OG 3.29Å; R1613-E1649 IonicContact CZ-OE2 3.74Å; R1613-E1649 VanDerWaalsContact CZ-OE2 3.23Å; R1613-E1649 IonicContact NH1-OE2 2.81Å; R1613-E1649 PolarHBondContact NH1-OE2 3.29Å; R1613-E1649 IonicContact NH2-OE1 3.91Å; R1613-E1649 IonicContact NH2-OE2 2.66Å; R1613-E1649 PolarHBondContact NH2-OE2 2.91Å |
| 1614 | S | 89.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 179.9 | -51.8 | 0 | 0 | 0 | 0 | 112.3 | W1571 Y1610 A1611 I1612 L1617 S1618 | W1571-S1614 VanDerWaalsContact CD1-OG 3.26Å; Y1610-S1614 WeakPolarHBondContact O-CB 3.41Å; Y1610-S1614 PolarHBondContact O-N 3.26Å; Y1610-S1614 PolarHBondContact O-OG 3.23Å; A1611-S1614 PolarHBondContact O-N 2.92Å; I1612-S1614 PolarHBondContact O-N 2.96Å; S1614-L1617 PolarHBondContact O-N 2.74Å; S1614-S1618 PolarHBondContact O-N 3.14Å |
| 1615 | A | 88.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67 | -36.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1568 A1611 I1612 R1613 S1618 E1821 C1822 V1825 | Y1568-A1615 HydrophobicContact CD2-CB 3.76Å; Y1568-A1615 HydrophobicContact CE2-CB 3.68Å; A1611-A1615 WeakPolarHBondContact O-CB 3.39Å; A1611-A1615 PolarHBondContact O-N 3.27Å; I1612-A1615 PolarHBondContact O-N 2.72Å; R1613-A1615 PolarHBondContact O-N 2.88Å; A1615-S1618 PolarHBondContact O-OG 3.06Å; A1615-E1821 HydrophobicContact CB-CB 3.88Å; A1615-C1822 PolarHBondContact O-SG 2.85Å; A1615-V1825 HydrophobicContact CB-CG2 3.96Å |
| 1616 | L | 87.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.8 | -32.1 | 177.8 | -72 | 177.7 | 0 | 0 | 0 | 112.1 | I1612 R1613 S1618 T1619 V1623 I1626 V1627 I1630 F1810 I1813 | I1612-L1616 HydrophobicContact CG1-CD1 4.1Å; I1612-L1616 HydrophobicContact CG1-CG 4.24Å; I1612-L1616 WeakPolarHBondContact O-CB 3.32Å; I1612-L1616 VanDerWaalsContact O-CG 3.25Å; I1612-L1616 WeakPolarHBondContact O-CG 3.47Å; I1612-L1616 PolarHBondContact O-N 3.46Å; R1613-L1616 PolarHBondContact O-N 3.26Å; L1616-S1618 VanDerWaalsContact C-N 3.26Å; L1616-S1618 PolarHBondContact O-N 3.3Å; L1616-T1619 VanDerWaalsContact O-CB 3.31Å; L1616-T1619 WeakPolarHBondContact O-CB 3.44Å; L1616-T1619 PolarHBondContact O-N 3.03Å; L1616-T1619 VanDerWaalsContact O-N 3.1Å; L1616-V1623 HydrophobicContact CB-CG1 3.78Å; L1616-V1623 HydrophobicContact CD1-CG1 3.88Å; L1616-V1623 HydrophobicContact CD2-CG1 3.73Å; L1616-V1623 HydrophobicContact CG-CG1 3.98Å; L1616-I1626 HydrophobicContact CD1-CB 4.32Å; L1616-I1626 HydrophobicContact CD1-CG2 3.4Å; L1616-V1627 HydrophobicContact CB-CG2 3.96Å; L1616-I1630 HydrophobicContact CD1-CD1 3.93Å; L1616-F1810 HydrophobicContact CD2-CD2 3.86Å; L1616-F1810 HydrophobicContact CD2-CE2 4.16Å; L1616-I1813 HydrophobicContact CD2-CD1 4.24Å; L1616-I1813 HydrophobicContact CD2-CG2 4.31Å |
| 1617 | L | 84.5 | Confident | 84.2 | Confident | 59 Ų | 59 | 40.2 Ų | 40.2 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.4 | -22.1 | 175.2 | -76.4 | 170.6 | 0 | 0 | 0 | 113.7 | Y1563 R1613 S1614 T1619 V1627 | Y1563-L1617 WeakPolarHBondContact O-CD1 3.26Å; R1613-L1617 HydrophobicContact CG-CD1 4.36Å; R1613-L1617 WeakPolarHBondContact O-CG 3.41Å; R1613-L1617 PolarHBondContact O-N 3.48Å; S1614-L1617 PolarHBondContact O-N 2.74Å; L1617-T1619 PolarHBondContact O-N 2.62Å; L1617-V1627 HydrophobicContact CD2-CG1 4.07Å; L1617-V1627 HydrophobicContact CD2-CG2 4.29Å; L1617-V1627 HydrophobicContact CG-CG1 4.34Å; L1617-V1627 HydrophobicContact CG-CG2 4.32Å |
| 1618 | S | 77.8 | Confident | 84.1 | Confident | 46 Ų | 46 | 40.3 Ų | 40.3 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.6 | 172.4 | 74.7 | 0 | 0 | 0 | 0 | 112.7 | S1614 A1615 L1616 | S1614-S1618 PolarHBondContact O-N 3.14Å; A1615-S1618 PolarHBondContact O-OG 3.06Å; L1616-S1618 VanDerWaalsContact C-N 3.26Å; L1616-S1618 PolarHBondContact O-N 3.3Å |
| 1619 | T | 73.7 | Confident | 84 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 9% | 0.086 | 21% | 0.207 | C | C | . | . | trans | -96.4 | 125.1 | -179.7 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | L1616 L1617 Q1621 V1623 I1813 T1817 | L1616-T1619 VanDerWaalsContact O-CB 3.31Å; L1616-T1619 WeakPolarHBondContact O-CB 3.44Å; L1616-T1619 PolarHBondContact O-N 3.03Å; L1616-T1619 VanDerWaalsContact O-N 3.1Å; L1617-T1619 PolarHBondContact O-N 2.62Å; T1619-Q1621 VanDerWaalsContact C-N 3.29Å; T1619-Q1621 HydrophobicContact CG2-CB 4.01Å; T1619-Q1621 PolarHBondContact O-N 3.11Å; T1619-V1623 HydrophobicContact CG2-CG2 3.98Å; T1619-I1813 HydrophobicContact CG2-CG2 4Å; T1619-T1817 HydrophobicContact CG2-CG2 3.4Å | ||
| 1620 | Q | 64 | Low | 84 | Confident | 205 Ų | 205 | 41.8 Ų | 41.8 | 96% | 0.958 | 21% | 0.207 | S | C | * | . | trans | -77.7 | 0 | -178.9 | -68 | -177.5 | -13.6 | 0 | 0 | 115.4 | ||||
| 1621 | Q | 63 | Low | 84 | Confident | 102 Ų | 102 | 41.9 Ų | 41.9 | 48% | 0.477 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -91.3 | 175.5 | -175.6 | -73.8 | -177.7 | -32.2 | 0 | 0 | 113 | T1619 V1623 | T1619-Q1621 VanDerWaalsContact C-N 3.29Å; T1619-Q1621 HydrophobicContact CG2-CB 4.01Å; T1619-Q1621 PolarHBondContact O-N 3.11Å; Q1621-V1623 WeakPolarHBondContact O-CG2 3.43Å; Q1621-V1623 PolarHBondContact O-N 3.41Å |
| 1622 | D | 69.1 | Low | 84 | Confident | 168 Ų | 168 | 41.9 Ų | 41.9 | 90% | 0.898 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -58.4 | 61.1 | -177.8 | -68 | -34.6 | 0 | 0 | 0 | 114.9 | ||
| 1623 | V | 79.3 | Confident | 84 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | trans | -106.9 | -3.6 | -179.8 | -160.3 | 0 | 0 | 0 | 0 | 111.5 | L1616 T1619 Q1621 E1625 I1626 V1627 I1813 | L1616-V1623 HydrophobicContact CB-CG1 3.78Å; L1616-V1623 HydrophobicContact CD1-CG1 3.88Å; L1616-V1623 HydrophobicContact CD2-CG1 3.73Å; L1616-V1623 HydrophobicContact CG-CG1 3.98Å; T1619-V1623 HydrophobicContact CG2-CG2 3.98Å; Q1621-V1623 WeakPolarHBondContact O-CG2 3.43Å; Q1621-V1623 PolarHBondContact O-N 3.41Å; V1623-E1625 PolarHBondContact O-N 3.08Å; V1623-E1625 VanDerWaalsContact O-N 3.17Å; V1623-I1626 HydrophobicContact CG1-CB 3.99Å; V1623-I1626 HydrophobicContact CG1-CD1 4.36Å; V1623-I1626 HydrophobicContact CG1-CG2 4.48Å; V1623-I1626 PolarHBondContact O-N 3.32Å; V1623-V1627 HydrophobicContact CG1-CG2 4.4Å; V1623-V1627 PolarHBondContact O-N 3.01Å; V1623-I1813 HydrophobicContact CB-CD1 4.36Å; V1623-I1813 HydrophobicContact CG1-CD1 3.87Å; V1623-I1813 HydrophobicContact CG2-CD1 3.54Å; V1623-I1813 HydrophobicContact CG2-CG1 4.15Å | ||
| 1624 | K | 83.9 | Confident | 84.1 | Confident | 134 Ų | 134 | 41.9 Ų | 41.9 | 58% | 0.583 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -54.3 | -38.7 | -176.5 | -65.2 | -175.5 | 178.1 | -179.6 | 0 | 112.9 | T1628 V1657 | K1624-T1628 WeakPolarHBondContact O-CB 3.39Å; K1624-T1628 PolarHBondContact O-N 2.68Å; K1624-T1628 PolarHBondContact O-OG1 3.47Å; K1624-V1657 HydrophobicContact CB-CG2 3.91Å |
| 1625 | E | 86.4 | Confident | 84.1 | Confident | 97 Ų | 97 | 41.9 Ų | 41.9 | 45% | 0.453 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.1 | -69.9 | -176.7 | 165.1 | 0 | 0 | 112.2 | V1623 T1628 Q1629 V1657 K1809 | V1623-E1625 PolarHBondContact O-N 3.08Å; V1623-E1625 VanDerWaalsContact O-N 3.17Å; E1625-T1628 PolarHBondContact O-N 3.31Å; E1625-Q1629 VanDerWaalsContact O-CG 3.29Å; E1625-Q1629 WeakPolarHBondContact O-CG 3.44Å; E1625-Q1629 PolarHBondContact O-N 3.14Å; E1625-V1657 HydrophobicContact CG-CG1 4.22Å; E1625-K1809 IonicContact OE2-NZ 3.76Å |
| 1626 | I | 88 | Confident | 84.2 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -44 | -179.5 | -65.5 | 179.5 | 0 | 0 | 0 | 110.4 | L1616 V1623 T1628 Q1629 I1630 I1783 T1784 K1809 | L1616-I1626 HydrophobicContact CD1-CB 4.32Å; L1616-I1626 HydrophobicContact CD1-CG2 3.4Å; V1623-I1626 HydrophobicContact CG1-CB 3.99Å; V1623-I1626 HydrophobicContact CG1-CD1 4.36Å; V1623-I1626 HydrophobicContact CG1-CG2 4.48Å; V1623-I1626 PolarHBondContact O-N 3.32Å; I1626-T1628 VanDerWaalsContact C-N 3.3Å; I1626-T1628 PolarHBondContact O-N 3.08Å; I1626-Q1629 PolarHBondContact O-N 3.13Å; I1626-I1630 HydrophobicContact CG2-CD1 4.09Å; I1626-I1630 WeakPolarHBondContact O-CD1 3.47Å; I1626-I1630 VanDerWaalsContact O-CG1 3.28Å; I1626-I1630 WeakPolarHBondContact O-CG1 3.34Å; I1626-I1630 PolarHBondContact O-N 2.96Å; I1626-I1783 HydrophobicContact CG2-CG2 4.07Å; I1626-T1784 HydrophobicContact CG2-CG2 3.89Å; I1626-K1809 HydrophobicContact CD1-CB 4.06Å; I1626-K1809 HydrophobicContact CD1-CD 4.24Å |
| 1627 | V | 88.7 | Confident | 84.3 | Confident | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 175.1 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | R1613 L1616 L1617 V1623 I1630 S1631 | R1613-V1627 HydrophobicContact CG-CG1 3.91Å; L1616-V1627 HydrophobicContact CB-CG2 3.96Å; L1617-V1627 HydrophobicContact CD2-CG1 4.07Å; L1617-V1627 HydrophobicContact CD2-CG2 4.29Å; L1617-V1627 HydrophobicContact CG-CG1 4.34Å; L1617-V1627 HydrophobicContact CG-CG2 4.32Å; V1623-V1627 HydrophobicContact CG1-CG2 4.4Å; V1623-V1627 PolarHBondContact O-N 3.01Å; V1627-I1630 WeakPolarHBondContact O-CB 3.48Å; V1627-I1630 PolarHBondContact O-N 3.4Å; V1627-S1631 PolarHBondContact O-N 3.45Å; V1627-S1631 PolarHBondContact O-OG 3.03Å |
| 1628 | T | 90.8 | Very high | 84.5 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 178.7 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | K1624 E1625 I1626 I1630 S1631 V1632 D1653 C1654 V1657 W1659 | K1624-T1628 WeakPolarHBondContact O-CB 3.39Å; K1624-T1628 PolarHBondContact O-N 2.68Å; K1624-T1628 PolarHBondContact O-OG1 3.47Å; E1625-T1628 PolarHBondContact O-N 3.31Å; I1626-T1628 VanDerWaalsContact C-N 3.3Å; I1626-T1628 PolarHBondContact O-N 3.08Å; T1628-I1630 VanDerWaalsContact C-N 3.29Å; T1628-I1630 PolarHBondContact O-N 3.42Å; T1628-S1631 PolarHBondContact O-N 2.86Å; T1628-V1632 HydrophobicContact CG2-CG2 4.37Å; T1628-V1632 WeakPolarHBondContact O-CB 3.41Å; T1628-V1632 VanDerWaalsContact O-CG2 3.25Å; T1628-V1632 WeakPolarHBondContact O-CG2 3.36Å; T1628-V1632 PolarHBondContact O-N 3.46Å; T1628-D1653 HydrophobicContact CG2-CB 4.04Å; T1628-D1653 PolarHBondContact OG1-O 3.15Å; T1628-C1654 HydrophobicContact CG2-CB 4.46Å; T1628-V1657 HydrophobicContact CG2-CG2 4.42Å; T1628-V1657 WeakPolarHBondContact OG1-CG2 3.48Å; T1628-W1659 HydrophobicContact CG2-CE3 3.71Å; T1628-W1659 HydrophobicContact CG2-CH2 4.38Å; T1628-W1659 HydrophobicContact CG2-CZ3 3.61Å |
| 1629 | Q | 91.8 | Very high | 84.8 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.2 | -40.4 | 174.1 | -72.5 | 179.8 | -2 | 0 | 0 | 111.8 | E1625 I1626 V1632 S1633 W1659 T1784 Y1786 N1806 | E1625-Q1629 VanDerWaalsContact O-CG 3.29Å; E1625-Q1629 WeakPolarHBondContact O-CG 3.44Å; E1625-Q1629 PolarHBondContact O-N 3.14Å; I1626-Q1629 PolarHBondContact O-N 3.13Å; Q1629-V1632 PolarHBondContact O-N 3.37Å; Q1629-S1633 VanDerWaalsContact O-CB 3.32Å; Q1629-S1633 WeakPolarHBondContact O-CB 3.46Å; Q1629-S1633 PolarHBondContact O-N 3.43Å; Q1629-W1659 HydrophobicContact CG-CH2 3.93Å; Q1629-W1659 HydrophobicContact CG-CZ3 4.46Å; Q1629-T1784 CarbonylContact C-O 3.58Å; Q1629-T1784 HydrophobicContact CB-CG2 4.5Å; Q1629-Y1786 VanDerWaalsContact CA-CE2 3.45Å; Q1629-Y1786 HydrophobicContact CB-CD2 3.71Å; Q1629-Y1786 HydrophobicContact CB-CE2 3.47Å; Q1629-Y1786 VanDerWaalsContact CB-CE2 3.47Å; Q1629-Y1786 HydrophobicContact CB-CG 4.47Å; Q1629-Y1786 HydrophobicContact CG-CD1 4.44Å; Q1629-Y1786 HydrophobicContact CG-CD2 4.07Å; Q1629-Y1786 HydrophobicContact CG-CE1 4.04Å; Q1629-Y1786 HydrophobicContact CG-CE2 3.68Å; Q1629-Y1786 HydrophobicContact CG-CG 4.44Å; Q1629-Y1786 VanDerWaalsContact O-CE2 3.26Å; Q1629-Y1786 WeakPolarHBondContact O-CE2 3.38Å; Q1629-N1806 PolarHBondContact OE1-ND2 2.92Å |
| 1630 | I | 91.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.4 | -50.4 | 176.1 | -64.9 | 158.8 | 0 | 0 | 0 | 110.6 | Y1609 I1612 R1613 L1616 I1626 V1627 T1628 V1632 S1633 L1634 I1783 | Y1609-I1630 HydrophobicContact CG-CG2 4.46Å; Y1609-I1630 WeakPolarHBondContact O-CG2 3.23Å; I1612-I1630 HydrophobicContact CG2-CD1 3.86Å; R1613-I1630 HydrophobicContact CB-CD1 4.34Å; R1613-I1630 HydrophobicContact CB-CG2 4.06Å; R1613-I1630 HydrophobicContact CG-CG2 4.49Å; L1616-I1630 HydrophobicContact CD1-CD1 3.93Å; I1626-I1630 HydrophobicContact CG2-CD1 4.09Å; I1626-I1630 WeakPolarHBondContact O-CD1 3.47Å; I1626-I1630 VanDerWaalsContact O-CG1 3.28Å; I1626-I1630 WeakPolarHBondContact O-CG1 3.34Å; I1626-I1630 PolarHBondContact O-N 2.96Å; V1627-I1630 WeakPolarHBondContact O-CB 3.48Å; V1627-I1630 PolarHBondContact O-N 3.4Å; T1628-I1630 VanDerWaalsContact C-N 3.29Å; T1628-I1630 PolarHBondContact O-N 3.42Å; I1630-V1632 VanDerWaalsContact C-N 3.32Å; I1630-V1632 PolarHBondContact O-N 3.25Å; I1630-S1633 WeakPolarHBondContact O-CB 3.43Å; I1630-S1633 PolarHBondContact O-N 3.35Å; I1630-S1633 VanDerWaalsContact O-N 3.09Å; I1630-S1633 PolarHBondContact O-OG 3.19Å; I1630-L1634 HydrophobicContact CG2-CD1 4.39Å; I1630-L1634 WeakPolarHBondContact O-CG 3.44Å; I1630-L1634 PolarHBondContact O-N 3.36Å; I1630-I1783 VanDerWaalsContact CG1-O 3.28Å; I1630-I1783 WeakPolarHBondContact CG1-O 3.26Å |
| 1631 | S | 91.8 | Very high | 86.7 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -40.1 | 179.5 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | R1613 V1627 T1628 S1633 L1634 D1653 | R1613-S1631 WeakPolarHBondContact CD-OG 3.32Å; R1613-S1631 PolarHBondContact NH1-OG 3.29Å; V1627-S1631 PolarHBondContact O-N 3.45Å; V1627-S1631 PolarHBondContact O-OG 3.03Å; T1628-S1631 PolarHBondContact O-N 2.86Å; S1631-S1633 VanDerWaalsContact C-N 3.34Å; S1631-S1633 PolarHBondContact O-N 3.38Å; S1631-L1634 WeakPolarHBondContact O-CB 3.12Å; S1631-L1634 PolarHBondContact O-N 2.99Å; S1631-D1653 WeakPolarHBondContact CB-OD2 3.29Å; S1631-D1653 PolarHBondContact OG-OD2 3.03Å |
| 1632 | V | 92.2 | Very high | 88 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 173.1 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | T1628 Q1629 I1630 L1634 L1635 C1654 F1666 Y1765 A1767 Y1786 | T1628-V1632 HydrophobicContact CG2-CG2 4.37Å; T1628-V1632 WeakPolarHBondContact O-CB 3.41Å; T1628-V1632 VanDerWaalsContact O-CG2 3.25Å; T1628-V1632 WeakPolarHBondContact O-CG2 3.36Å; T1628-V1632 PolarHBondContact O-N 3.46Å; Q1629-V1632 PolarHBondContact O-N 3.37Å; I1630-V1632 VanDerWaalsContact C-N 3.32Å; I1630-V1632 PolarHBondContact O-N 3.25Å; V1632-L1634 VanDerWaalsContact C-N 3.29Å; V1632-L1634 PolarHBondContact O-N 2.96Å; V1632-L1635 VanDerWaalsContact O-CB 3.3Å; V1632-L1635 WeakPolarHBondContact O-CB 3.5Å; V1632-L1635 WeakPolarHBondContact O-CG 3.39Å; V1632-L1635 PolarHBondContact O-N 3.38Å; V1632-C1654 VanDerWaalsContact CG2-SG 3.6Å; V1632-F1666 HydrophobicContact CG2-CE2 4.01Å; V1632-Y1765 WeakPolarHBondContact CG1-OH 3.43Å; V1632-A1767 HydrophobicContact CG1-CB 3.71Å; V1632-Y1786 HydrophobicContact CB-CE2 4.2Å; V1632-Y1786 HydrophobicContact CG1-CE2 4.06Å |
| 1633 | S | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.6 | -26.4 | 179.1 | 82.1 | 0 | 0 | 0 | 0 | 113.7 | Q1629 I1630 S1631 L1635 R1636 T1784 | Q1629-S1633 VanDerWaalsContact O-CB 3.32Å; Q1629-S1633 WeakPolarHBondContact O-CB 3.46Å; Q1629-S1633 PolarHBondContact O-N 3.43Å; I1630-S1633 WeakPolarHBondContact O-CB 3.43Å; I1630-S1633 PolarHBondContact O-N 3.35Å; I1630-S1633 VanDerWaalsContact O-N 3.09Å; I1630-S1633 PolarHBondContact O-OG 3.19Å; S1631-S1633 VanDerWaalsContact C-N 3.34Å; S1631-S1633 PolarHBondContact O-N 3.38Å; S1633-L1635 PolarHBondContact O-N 2.82Å; S1633-R1636 PolarHBondContact O-N 2.71Å; S1633-T1784 WeakPolarHBondContact CB-O 3.41Å; S1633-T1784 PolarHBondContact OG-O 2.89Å |
| 1634 | L | 92.5 | Very high | 89.3 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.5 | -21.3 | 175.7 | -73.2 | 170.2 | 0 | 0 | 0 | 112.5 | V1606 Y1609 Y1610 I1630 S1631 V1632 R1636 H1637 L1641 | V1606-L1634 HydrophobicContact CG1-CD2 4.08Å; Y1609-L1634 HydrophobicContact CD2-CD2 4.37Å; Y1610-L1634 HydrophobicContact CD1-CD1 4.04Å; Y1610-L1634 HydrophobicContact CD2-CD1 4.4Å; Y1610-L1634 HydrophobicContact CD2-CD2 4.28Å; Y1610-L1634 HydrophobicContact CE1-CD1 3.67Å; Y1610-L1634 HydrophobicContact CE2-CD1 4.05Å; Y1610-L1634 HydrophobicContact CE2-CD2 3.98Å; Y1610-L1634 HydrophobicContact CG-CD1 4.39Å; I1630-L1634 HydrophobicContact CG2-CD1 4.39Å; I1630-L1634 WeakPolarHBondContact O-CG 3.44Å; I1630-L1634 PolarHBondContact O-N 3.36Å; S1631-L1634 WeakPolarHBondContact O-CB 3.12Å; S1631-L1634 PolarHBondContact O-N 2.99Å; V1632-L1634 VanDerWaalsContact C-N 3.29Å; V1632-L1634 PolarHBondContact O-N 2.96Å; L1634-R1636 PolarHBondContact O-N 3.31Å; L1634-H1637 PolarHBondContact O-N 3.41Å; L1634-L1641 HydrophobicContact CB-CD1 4.4Å; L1634-L1641 HydrophobicContact CD2-CD1 4.03Å |
| 1635 | L | 90.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -59.3 | -28.4 | 174.2 | -63.8 | 175.9 | 0 | 0 | 0 | 112.6 | V1632 S1633 H1637 S1638 V1646 F1647 A1650 F1666 I1720 | V1632-L1635 VanDerWaalsContact O-CB 3.3Å; V1632-L1635 WeakPolarHBondContact O-CB 3.5Å; V1632-L1635 WeakPolarHBondContact O-CG 3.39Å; V1632-L1635 PolarHBondContact O-N 3.38Å; S1633-L1635 PolarHBondContact O-N 2.82Å; L1635-H1637 PolarHBondContact O-N 2.64Å; L1635-H1637 VanDerWaalsContact O-N 3.16Å; L1635-S1638 WeakPolarHBondContact O-CB 3.15Å; L1635-S1638 PolarHBondContact O-N 3.21Å; L1635-S1638 PolarHBondContact O-OG 3.42Å; L1635-S1638 VanDerWaalsContact O-OG 3.04Å; L1635-V1646 HydrophobicContact CD2-CB 4.13Å; L1635-V1646 HydrophobicContact CD2-CG2 4.08Å; L1635-V1646 WeakPolarHBondContact CD2-O 3.5Å; L1635-F1647 HydrophobicContact CD2-CB 4.42Å; L1635-F1647 HydrophobicContact CD2-CD1 3.76Å; L1635-F1647 HydrophobicContact CD2-CD2 4.26Å; L1635-F1647 HydrophobicContact CD2-CE1 4.02Å; L1635-F1647 HydrophobicContact CD2-CE2 4.49Å; L1635-F1647 HydrophobicContact CD2-CG 3.89Å; L1635-F1647 HydrophobicContact CD2-CZ 4.37Å; L1635-A1650 HydrophobicContact CD1-CB 3.86Å; L1635-A1650 HydrophobicContact CD2-CB 3.91Å; L1635-A1650 HydrophobicContact CG-CB 3.93Å; L1635-F1666 HydrophobicContact CD1-CD1 3.71Å; L1635-F1666 HydrophobicContact CD1-CD2 4.05Å; L1635-F1666 HydrophobicContact CD1-CE1 3.53Å; L1635-F1666 HydrophobicContact CD1-CE2 3.88Å; L1635-F1666 HydrophobicContact CD1-CG 4Å; L1635-F1666 HydrophobicContact CD1-CZ 3.64Å; L1635-I1720 HydrophobicContact CB-CD1 4.12Å; L1635-I1720 HydrophobicContact CB-CG1 4.15Å; L1635-I1720 HydrophobicContact CB-CG2 4.45Å; L1635-I1720 HydrophobicContact CD1-CD1 4.18Å |
| 1636 | R | 89 | Confident | 89.8 | Confident | 16 Ų | 16 | 8.8 Ų | 8.8 | 6% | 0.06 | 5% | 0.046 | C | C | . | . | G | 310 helix | trans | -69 | -8.5 | 174.8 | -61.3 | -173.8 | -56.1 | -111.8 | -1.9 | 114.2 | S1633 L1634 D1719 A1767 G1785 | S1633-R1636 PolarHBondContact O-N 2.71Å; L1634-R1636 PolarHBondContact O-N 3.31Å; R1636-D1719 VanDerWaalsContact CD-OD1 3.3Å; R1636-D1719 WeakPolarHBondContact CD-OD1 3.36Å; R1636-D1719 WeakPolarHBondContact CD-OD2 3.25Å; R1636-D1719 WeakPolarHBondContact CG-OD1 3.29Å; R1636-A1767 PolarHBondContact NH1-O 2.91Å; R1636-G1785 PolarHBondContact NH1-O 3.45Å; R1636-G1785 PolarHBondContact NH2-O 3.49Å |
| 1637 | H | 90.1 | Very high | 90 | Very high | 15 Ų | 15 | 8.9 Ų | 8.9 | 7% | 0.069 | 5% | 0.046 | C | C | . | . | G | 310 helix | trans | -115.7 | 19.8 | -179.6 | -60.6 | -68.6 | 0 | 0 | 0 | 111.8 | V1606 L1634 L1635 D1639 I1640 L1641 | V1606-H1637 HydrophobicContact CG2-CB 3.62Å; L1634-H1637 PolarHBondContact O-N 3.41Å; L1635-H1637 PolarHBondContact O-N 2.64Å; L1635-H1637 VanDerWaalsContact O-N 3.16Å; H1637-D1639 WeakPolarHBondContact CA-OD1 3.49Å; H1637-D1639 PolarHBondContact O-N 2.81Å; H1637-I1640 HydrophobicContact CB-CD1 4.23Å; H1637-I1640 HydrophobicContact CB-CG1 3.97Å; H1637-I1640 VanDerWaalsContact O-CG1 3.23Å; H1637-I1640 WeakPolarHBondContact O-CG1 3.39Å; H1637-I1640 PolarHBondContact O-N 3.21Å; H1637-L1641 HydrophobicContact CB-CD1 4.04Å; H1637-L1641 HydrophobicContact CB-CG 4.5Å; H1637-L1641 WeakPolarHBondContact O-CB 3.39Å; H1637-L1641 PolarHBondContact O-N 3.43Å |
| 1638 | S | 88 | Confident | 90.2 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -10.3 | 175.8 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | L1635 L1641 P1721 V1724 | L1635-S1638 WeakPolarHBondContact O-CB 3.15Å; L1635-S1638 PolarHBondContact O-N 3.21Å; L1635-S1638 PolarHBondContact O-OG 3.42Å; L1635-S1638 VanDerWaalsContact O-OG 3.04Å; S1638-L1641 CarbonylContact C-O 3.56Å; S1638-P1721 WeakPolarHBondContact OG-CD 3.24Å; S1638-V1724 WeakPolarHBondContact OG-CG1 3.37Å |
| 1639 | D | 84.4 | Confident | 90.2 | Very high | 50 Ų | 50 | 10.1 Ų | 10.1 | 27% | 0.267 | 5% | 0.05 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -23.2 | 171.3 | 64.6 | -39.7 | 0 | 0 | 0 | 113.1 | R1602 H1637 P1721 | R1602-D1639 IonicContact CZ-OD1 3.08Å; R1602-D1639 IonicContact CZ-OD2 3.73Å; R1602-D1639 VanDerWaalsContact CZ-OD2 3.27Å; R1602-D1639 IonicContact NH1-OD1 3.08Å; R1602-D1639 IonicContact NH1-OD2 2.86Å; R1602-D1639 PolarHBondContact NH1-OD2 3.46Å; R1602-D1639 IonicContact NH2-OD1 3.96Å; R1602-D1639 PolarHBondContact NH2-OD1 3.16Å; R1602-D1639 IonicContact NH2-OD2 3.96Å; R1602-D1639 PolarHBondContact NH2-OD2 2.92Å; H1637-D1639 WeakPolarHBondContact CA-OD1 3.49Å; H1637-D1639 PolarHBondContact O-N 2.81Å; D1639-P1721 HydrophobicContact CB-CB 4.4Å; D1639-P1721 HydrophobicContact CB-CG 4.29Å |
| 1640 | I | 88.8 | Confident | 90.2 | Very high | 27 Ų | 27 | 8.7 Ų | 8.7 | 14% | 0.138 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -17.9 | 178.5 | 59 | 170.2 | 0 | 0 | 0 | 113.6 | F1553 L1599 R1602 V1606 H1637 | F1553-I1640 HydrophobicContact CE1-CB 4.49Å; F1553-I1640 HydrophobicContact CZ-CD1 4.34Å; L1599-I1640 HydrophobicContact CD1-CG2 3.93Å; R1602-I1640 HydrophobicContact CB-CD1 4.29Å; V1606-I1640 HydrophobicContact CG2-CD1 3.89Å; H1637-I1640 HydrophobicContact CB-CD1 4.23Å; H1637-I1640 HydrophobicContact CB-CG1 3.97Å; H1637-I1640 VanDerWaalsContact O-CG1 3.23Å; H1637-I1640 WeakPolarHBondContact O-CG1 3.39Å; H1637-I1640 PolarHBondContact O-N 3.21Å |
| 1641 | L | 89.8 | Confident | 90.2 | Very high | 3 Ų | 3 | 8.7 Ų | 8.7 | 2% | 0.016 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -103.7 | 149.4 | 174.5 | -67 | 172.2 | 0 | 0 | 0 | 110.1 | F1553 T1557 V1606 Y1610 L1634 H1637 S1638 A1643 V1646 | F1553-L1641 HydrophobicContact CE1-CD2 4.38Å; F1553-L1641 HydrophobicContact CZ-CD2 4.05Å; T1557-L1641 HydrophobicContact CG2-CD2 3.46Å; T1557-L1641 VanDerWaalsContact CG2-CD2 3.46Å; V1606-L1641 HydrophobicContact CG1-CD1 3.68Å; V1606-L1641 HydrophobicContact CG1-CD2 3.72Å; V1606-L1641 HydrophobicContact CG1-CG 3.97Å; Y1610-L1641 HydrophobicContact CE2-CD1 3.87Å; Y1610-L1641 HydrophobicContact CE2-CD2 3.81Å; Y1610-L1641 HydrophobicContact CE2-CG 4.5Å; L1634-L1641 HydrophobicContact CB-CD1 4.4Å; L1634-L1641 HydrophobicContact CD2-CD1 4.03Å; H1637-L1641 HydrophobicContact CB-CD1 4.04Å; H1637-L1641 HydrophobicContact CB-CG 4.5Å; H1637-L1641 WeakPolarHBondContact O-CB 3.39Å; H1637-L1641 PolarHBondContact O-N 3.43Å; S1638-L1641 CarbonylContact C-O 3.56Å; L1641-A1643 PolarHBondContact O-N 2.94Å; L1641-A1643 VanDerWaalsContact O-N 3.12Å; L1641-V1646 HydrophobicContact CB-CG1 3.74Å; L1641-V1646 HydrophobicContact CD1-CG1 3.7Å; L1641-V1646 HydrophobicContact CG-CG1 4.35Å |
| 1642 | P | 89 | Confident | 90.2 | Very high | 20 Ų | 20 | 10.2 Ų | 10.2 | 13% | 0.13 | 5% | 0.051 | C | C | . | . | trans | -55.3 | 118.9 | 171.6 | -23.2 | 33.3 | 0 | 0 | 0 | 110.9 | K1645 V1646 P1727 | P1642-K1645 HydrophobicContact CB-CB 4.14Å; P1642-K1645 WeakPolarHBondContact O-CB 3.09Å; P1642-K1645 PolarHBondContact O-N 2.87Å; P1642-V1646 PolarHBondContact O-N 3.45Å; P1642-P1727 HydrophobicContact CB-CG 4.24Å | ||
| 1643 | A | 87.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | -171 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1641 K1645 V1646 F1647 L1673 V1724 | L1641-A1643 PolarHBondContact O-N 2.94Å; L1641-A1643 VanDerWaalsContact O-N 3.12Å; A1643-K1645 VanDerWaalsContact C-N 3.3Å; A1643-K1645 PolarHBondContact O-N 3.34Å; A1643-V1646 VanDerWaalsContact O-CG2 3.26Å; A1643-V1646 WeakPolarHBondContact O-CG2 3.17Å; A1643-V1646 PolarHBondContact O-N 3.05Å; A1643-F1647 VanDerWaalsContact O-CD2 3.28Å; A1643-F1647 WeakPolarHBondContact O-CD2 3.48Å; A1643-F1647 PolarHBondContact O-N 3.37Å; A1643-L1673 HydrophobicContact CB-CD1 3.8Å; A1643-L1673 HydrophobicContact CB-CD2 4.34Å; A1643-V1724 HydrophobicContact CB-CB 3.94Å; A1643-V1724 HydrophobicContact CB-CG1 4.44Å; A1643-V1724 HydrophobicContact CB-CG2 3.67Å |
| 1644 | D | 89 | Confident | 90.2 | Very high | 2 Ų | 2 | 10.3 Ų | 10.3 | 1% | 0.011 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -55 | -44 | 177.4 | 66.8 | -30.9 | 0 | 0 | 0 | 112.3 | Y1648 I1677 P1727 Y1731 | D1644-Y1648 WeakPolarHBondContact O-CB 3.46Å; D1644-Y1648 PolarHBondContact O-N 3.47Å; D1644-I1677 HydrophobicContact CB-CD1 3.89Å; D1644-P1727 HydrophobicContact CB-CG 4.45Å; D1644-P1727 VanDerWaalsContact OD1-CG 3.32Å; D1644-P1727 WeakPolarHBondContact OD1-CG 3.4Å; D1644-Y1731 WeakPolarHBondContact OD2-CB 3.02Å; D1644-Y1731 PolarHBondContact OD2-N 3.26Å |
| 1645 | K | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.5 | -52.2 | 176.4 | 177.6 | -178.5 | -175.9 | -172.6 | 0 | 112 | T1557 P1642 A1643 Y1648 E1649 Y1731 | T1557-K1645 WeakPolarHBondContact O-CD 3.34Å; T1557-K1645 PolarHBondContact O-NZ 3.1Å; P1642-K1645 HydrophobicContact CB-CB 4.14Å; P1642-K1645 WeakPolarHBondContact O-CB 3.09Å; P1642-K1645 PolarHBondContact O-N 2.87Å; A1643-K1645 VanDerWaalsContact C-N 3.3Å; A1643-K1645 PolarHBondContact O-N 3.34Å; K1645-Y1648 PolarHBondContact O-N 3.04Å; K1645-E1649 WeakPolarHBondContact CE-OE1 3.29Å; K1645-E1649 HydrophobicContact CG-CG 4.36Å; K1645-E1649 WeakPolarHBondContact O-CB 3.36Å; K1645-E1649 WeakPolarHBondContact O-CG 3.35Å; K1645-E1649 PolarHBondContact O-N 3.4Å; K1645-Y1731 HydrophobicContact CB-CD1 3.91Å; K1645-Y1731 HydrophobicContact CB-CD2 3.91Å; K1645-Y1731 HydrophobicContact CB-CE1 4.34Å; K1645-Y1731 HydrophobicContact CB-CE2 4.35Å; K1645-Y1731 HydrophobicContact CB-CG 3.66Å; K1645-Y1731 HydrophobicContact CD-CD2 3.93Å; K1645-Y1731 HydrophobicContact CD-CE2 3.69Å; K1645-Y1731 HydrophobicContact CD-CG 4.5Å; K1645-Y1731 HydrophobicContact CG-CD1 3.91Å; K1645-Y1731 HydrophobicContact CG-CD2 3.83Å; K1645-Y1731 HydrophobicContact CG-CE1 3.81Å; K1645-Y1731 HydrophobicContact CG-CE2 3.74Å; K1645-Y1731 HydrophobicContact CG-CG 3.9Å |
| 1646 | V | 91.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.5 | -37.7 | -173.6 | -66 | 0 | 0 | 0 | 0 | 112.1 | L1635 L1641 P1642 A1643 A1650 | L1635-V1646 HydrophobicContact CD2-CB 4.13Å; L1635-V1646 HydrophobicContact CD2-CG2 4.08Å; L1635-V1646 WeakPolarHBondContact CD2-O 3.5Å; L1641-V1646 HydrophobicContact CB-CG1 3.74Å; L1641-V1646 HydrophobicContact CD1-CG1 3.7Å; L1641-V1646 HydrophobicContact CG-CG1 4.35Å; P1642-V1646 PolarHBondContact O-N 3.45Å; A1643-V1646 VanDerWaalsContact O-CG2 3.26Å; A1643-V1646 WeakPolarHBondContact O-CG2 3.17Å; A1643-V1646 PolarHBondContact O-N 3.05Å; V1646-A1650 VanDerWaalsContact O-CB 3.25Å; V1646-A1650 WeakPolarHBondContact O-CB 3.47Å; V1646-A1650 PolarHBondContact O-N 2.9Å |
| 1647 | F | 91.5 | Very high | 89.8 | Confident | 7 Ų | 7 | 21 Ų | 21 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | 174.9 | -82.9 | -77.1 | 0 | 0 | 0 | 112 | L1635 A1643 G1651 F1666 R1669 L1673 F1692 I1720 | L1635-F1647 HydrophobicContact CD2-CB 4.42Å; L1635-F1647 HydrophobicContact CD2-CD1 3.76Å; L1635-F1647 HydrophobicContact CD2-CD2 4.26Å; L1635-F1647 HydrophobicContact CD2-CE1 4.02Å; L1635-F1647 HydrophobicContact CD2-CE2 4.49Å; L1635-F1647 HydrophobicContact CD2-CG 3.89Å; L1635-F1647 HydrophobicContact CD2-CZ 4.37Å; A1643-F1647 VanDerWaalsContact O-CD2 3.28Å; A1643-F1647 WeakPolarHBondContact O-CD2 3.48Å; A1643-F1647 PolarHBondContact O-N 3.37Å; F1647-G1651 PolarHBondContact O-N 2.86Å; F1647-F1666 HydrophobicContact CD1-CB 4.31Å; F1647-F1666 HydrophobicContact CD1-CD1 4.3Å; F1647-F1666 HydrophobicContact CE1-CD1 4.29Å; F1647-R1669 HydrophobicContact CD1-CB 3.96Å; F1647-R1669 HydrophobicContact CD1-CG 3.83Å; F1647-R1669 HydrophobicContact CD2-CG 4.3Å; F1647-R1669 HydrophobicContact CE1-CB 4.01Å; F1647-R1669 HydrophobicContact CE1-CG 3.59Å; F1647-R1669 HydrophobicContact CE2-CG 4.09Å; F1647-R1669 HydrophobicContact CG-CG 4.19Å; F1647-R1669 HydrophobicContact CZ-CG 3.73Å; F1647-L1673 HydrophobicContact CB-CD1 4.42Å; F1647-L1673 HydrophobicContact CD2-CD1 3.48Å; F1647-L1673 VanDerWaalsContact CD2-CD1 3.48Å; F1647-L1673 HydrophobicContact CE2-CD1 4.05Å; F1647-L1673 HydrophobicContact CG-CD1 4.18Å; F1647-F1692 HydrophobicContact CE1-CZ 4.22Å; F1647-I1720 HydrophobicContact CZ-CG2 3.96Å |
| 1648 | Y | 92.2 | Very high | 89.6 | Confident | 32 Ų | 32 | 22.3 Ų | 22.3 | 13% | 0.125 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62 | -51.6 | 173.7 | 173 | -116.2 | 0 | 0 | 0 | 112.3 | D1644 K1645 A1650 G1651 I1652 L1667 Y1670 Y1731 T1732 I1740 | D1644-Y1648 WeakPolarHBondContact O-CB 3.46Å; D1644-Y1648 PolarHBondContact O-N 3.47Å; K1645-Y1648 PolarHBondContact O-N 3.04Å; Y1648-A1650 PolarHBondContact O-N 3.3Å; Y1648-G1651 PolarHBondContact O-N 3.27Å; Y1648-I1652 HydrophobicContact CD2-CD1 4.47Å; Y1648-I1652 HydrophobicContact CD2-CG1 3.82Å; Y1648-I1652 HydrophobicContact CE2-CD1 3.82Å; Y1648-I1652 HydrophobicContact CE2-CG1 3.4Å; Y1648-I1652 VanDerWaalsContact CE2-CG1 3.4Å; Y1648-I1652 WeakPolarHBondContact O-CG1 3.27Å; Y1648-I1652 PolarHBondContact O-N 3.35Å; Y1648-L1667 HydrophobicContact CD2-CD2 4.34Å; Y1648-Y1670 HydrophobicContact CG-CE2 4.48Å; Y1648-Y1731 AromaticContact CD1-CD1 3.84Å; Y1648-Y1731 HydrophobicContact CD1-CD1 3.84Å; Y1648-Y1731 AromaticContact CD1-CE1 3.72Å; Y1648-Y1731 HydrophobicContact CD1-CE1 3.72Å; Y1648-Y1731 HydrophobicContact CE1-CD1 4.43Å; Y1648-Y1731 HydrophobicContact CE1-CE1 4.08Å; Y1648-T1732 HydrophobicContact CD1-CG2 3.65Å; Y1648-T1732 HydrophobicContact CD2-CG2 3.89Å; Y1648-T1732 HydrophobicContact CE1-CG2 3.78Å; Y1648-T1732 HydrophobicContact CE2-CG2 4.05Å; Y1648-T1732 HydrophobicContact CG-CG2 3.67Å; Y1648-I1740 HydrophobicContact CD2-CD1 3.39Å; Y1648-I1740 HydrophobicContact CD2-CG1 4.37Å; Y1648-I1740 HydrophobicContact CE2-CD1 3.28Å; Y1648-I1740 HydrophobicContact CE2-CG1 4.04Å |
| 1649 | E | 91.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 2% | 0.023 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | -178.9 | -72.3 | -176.9 | 178.6 | 0 | 0 | 111.8 | Y1563 R1613 K1645 G1651 D1653 Y1731 | Y1563-E1649 HydrophobicContact CD2-CG 4.05Å; Y1563-E1649 HydrophobicContact CE2-CG 4.36Å; R1613-E1649 IonicContact CZ-OE2 3.74Å; R1613-E1649 VanDerWaalsContact CZ-OE2 3.23Å; R1613-E1649 IonicContact NH1-OE2 2.81Å; R1613-E1649 PolarHBondContact NH1-OE2 3.29Å; R1613-E1649 IonicContact NH2-OE1 3.91Å; R1613-E1649 IonicContact NH2-OE2 2.66Å; R1613-E1649 PolarHBondContact NH2-OE2 2.91Å; K1645-E1649 WeakPolarHBondContact CE-OE1 3.29Å; K1645-E1649 HydrophobicContact CG-CG 4.36Å; K1645-E1649 WeakPolarHBondContact O-CB 3.36Å; K1645-E1649 WeakPolarHBondContact O-CG 3.35Å; K1645-E1649 PolarHBondContact O-N 3.4Å; E1649-G1651 PolarHBondContact O-N 2.74Å; E1649-D1653 WeakPolarHBondContact O-CB 3.39Å; E1649-D1653 PolarHBondContact O-N 2.9Å; E1649-Y1731 HydrophobicContact CG-CE1 4.45Å; E1649-Y1731 PolarHBondContact OE1-OH 3.48Å |
| 1650 | A | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1635 V1646 Y1648 D1653 C1654 F1666 | L1635-A1650 HydrophobicContact CD1-CB 3.86Å; L1635-A1650 HydrophobicContact CD2-CB 3.91Å; L1635-A1650 HydrophobicContact CG-CB 3.93Å; V1646-A1650 VanDerWaalsContact O-CB 3.25Å; V1646-A1650 WeakPolarHBondContact O-CB 3.47Å; V1646-A1650 PolarHBondContact O-N 2.9Å; Y1648-A1650 PolarHBondContact O-N 3.3Å; A1650-D1653 PolarHBondContact O-N 3.2Å; A1650-C1654 WeakPolarHBondContact O-CB 3.24Å; A1650-C1654 PolarHBondContact O-N 2.57Å; A1650-C1654 PolarHBondContact O-SG 3.47Å; A1650-F1666 HydrophobicContact CB-CD2 4.16Å |
| 1651 | G | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1647 Y1648 E1649 R1655 | F1647-G1651 PolarHBondContact O-N 2.86Å; Y1648-G1651 PolarHBondContact O-N 3.27Å; E1649-G1651 PolarHBondContact O-N 2.74Å; G1651-R1655 WeakPolarHBondContact O-CB 3.16Å; G1651-R1655 PolarHBondContact O-N 2.97Å |
| 1652 | I | 91.5 | Very high | 89.5 | Confident | 34 Ų | 34 | 28.3 Ų | 28.3 | 17% | 0.174 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 175.7 | -68.2 | -63.6 | 0 | 0 | 0 | 111.5 | Y1648 R1655 Q1656 | Y1648-I1652 HydrophobicContact CD2-CD1 4.47Å; Y1648-I1652 HydrophobicContact CD2-CG1 3.82Å; Y1648-I1652 HydrophobicContact CE2-CD1 3.82Å; Y1648-I1652 HydrophobicContact CE2-CG1 3.4Å; Y1648-I1652 VanDerWaalsContact CE2-CG1 3.4Å; Y1648-I1652 WeakPolarHBondContact O-CG1 3.27Å; Y1648-I1652 PolarHBondContact O-N 3.35Å; I1652-R1655 WeakPolarHBondContact O-CB 3.3Å; I1652-R1655 PolarHBondContact O-N 3.17Å; I1652-Q1656 WeakPolarHBondContact O-CG 3.42Å; I1652-Q1656 PolarHBondContact O-N 3.37Å |
| 1653 | D | 90.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.2 | -71.4 | -1.7 | 0 | 0 | 0 | 110.9 | Y1563 T1628 S1631 E1649 A1650 R1655 Q1656 V1657 | Y1563-D1653 PolarHBondContact OH-OD1 3.29Å; T1628-D1653 HydrophobicContact CG2-CB 4.04Å; T1628-D1653 PolarHBondContact OG1-O 3.15Å; S1631-D1653 WeakPolarHBondContact CB-OD2 3.29Å; S1631-D1653 PolarHBondContact OG-OD2 3.03Å; E1649-D1653 WeakPolarHBondContact O-CB 3.39Å; E1649-D1653 PolarHBondContact O-N 2.9Å; A1650-D1653 PolarHBondContact O-N 3.2Å; D1653-R1655 VanDerWaalsContact C-N 3.3Å; D1653-R1655 PolarHBondContact O-N 3.13Å; D1653-Q1656 PolarHBondContact O-N 3.17Å; D1653-V1657 PolarHBondContact O-N 3.28Å |
| 1654 | C | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -40.4 | 173.2 | -72.8 | 0 | 0 | 0 | 0 | 112 | T1628 V1632 A1650 Q1656 V1657 G1658 W1659 M1662 A1663 | T1628-C1654 HydrophobicContact CG2-CB 4.46Å; V1632-C1654 VanDerWaalsContact CG2-SG 3.6Å; A1650-C1654 WeakPolarHBondContact O-CB 3.24Å; A1650-C1654 PolarHBondContact O-N 2.57Å; A1650-C1654 PolarHBondContact O-SG 3.47Å; C1654-Q1656 PolarHBondContact O-N 2.97Å; C1654-V1657 PolarHBondContact O-N 2.92Å; C1654-G1658 PolarHBondContact O-N 3.29Å; C1654-G1658 VanDerWaalsContact O-N 3.11Å; C1654-W1659 HydrophobicContact CB-CB 4.13Å; C1654-W1659 PolarHBondContact O-N 2.78Å; C1654-M1662 HydrophobicContact CB-CB 4.35Å; C1654-A1663 HydrophobicContact CB-CB 3.75Å |
| 1655 | R | 89.3 | Confident | 89.5 | Confident | 89 Ų | 89 | 28.2 Ų | 28.2 | 34% | 0.336 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.3 | -38 | 176.8 | -178.5 | 178.9 | 171.3 | -177.7 | 0.1 | 112 | G1651 I1652 D1653 G1658 A1663 W1743 | G1651-R1655 WeakPolarHBondContact O-CB 3.16Å; G1651-R1655 PolarHBondContact O-N 2.97Å; I1652-R1655 WeakPolarHBondContact O-CB 3.3Å; I1652-R1655 PolarHBondContact O-N 3.17Å; D1653-R1655 VanDerWaalsContact C-N 3.3Å; D1653-R1655 PolarHBondContact O-N 3.13Å; R1655-G1658 PolarHBondContact O-N 2.99Å; R1655-A1663 HydrophobicContact CB-CB 4.06Å; R1655-W1743 HydrophobicContact CB-CZ2 4.35Å; R1655-W1743 HydrophobicContact CG-CZ2 3.79Å; R1655-W1743 VanDerWaalsContact CZ-CG 3.41Å |
| 1656 | Q | 87.1 | Confident | 89.5 | Confident | 115 Ų | 115 | 28.2 Ų | 28.2 | 54% | 0.537 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -70.7 | -29.6 | 179.2 | -71.8 | -179.4 | 21.9 | 0 | 0 | 113.6 | I1652 D1653 C1654 | I1652-Q1656 WeakPolarHBondContact O-CG 3.42Å; I1652-Q1656 PolarHBondContact O-N 3.37Å; D1653-Q1656 PolarHBondContact O-N 3.17Å; C1654-Q1656 PolarHBondContact O-N 2.97Å |
| 1657 | V | 87.7 | Confident | 89.5 | Confident | 39 Ų | 39 | 28.1 Ų | 28.1 | 24% | 0.236 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -85.5 | -14.6 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 112.4 | K1624 E1625 T1628 D1653 C1654 W1659 | K1624-V1657 HydrophobicContact CB-CG2 3.91Å; E1625-V1657 HydrophobicContact CG-CG1 4.22Å; T1628-V1657 HydrophobicContact CG2-CG2 4.42Å; T1628-V1657 WeakPolarHBondContact OG1-CG2 3.48Å; D1653-V1657 PolarHBondContact O-N 3.28Å; C1654-V1657 PolarHBondContact O-N 2.92Å; V1657-W1659 HydrophobicContact CG1-CD2 4.24Å; V1657-W1659 HydrophobicContact CG1-CG 4.29Å; V1657-W1659 HydrophobicContact CG1-CZ2 4.26Å |
| 1658 | G | 86.5 | Confident | 89.4 | Confident | 42 Ų | 42 | 29.6 Ų | 29.6 | 43% | 0.433 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 16.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | C1654 R1655 N1660 | C1654-G1658 PolarHBondContact O-N 3.29Å; C1654-G1658 VanDerWaalsContact O-N 3.11Å; R1655-G1658 PolarHBondContact O-N 2.99Å; G1658-N1660 PolarHBondContact O-N 3.28Å |
| 1659 | W | 88.9 | Confident | 89.1 | Confident | 69 Ų | 69 | 28.7 Ų | 28.7 | 26% | 0.261 | 15% | 0.147 | S | C | . | . | trans | -79.1 | 60.5 | 171.2 | -64.7 | -5.4 | 0 | 0 | 0 | 110.4 | T1628 Q1629 C1654 V1657 N1661 M1662 A1663 | T1628-W1659 HydrophobicContact CG2-CE3 3.71Å; T1628-W1659 HydrophobicContact CG2-CH2 4.38Å; T1628-W1659 HydrophobicContact CG2-CZ3 3.61Å; Q1629-W1659 HydrophobicContact CG-CH2 3.93Å; Q1629-W1659 HydrophobicContact CG-CZ3 4.46Å; C1654-W1659 HydrophobicContact CB-CB 4.13Å; C1654-W1659 PolarHBondContact O-N 2.78Å; V1657-W1659 HydrophobicContact CG1-CD2 4.24Å; V1657-W1659 HydrophobicContact CG1-CG 4.29Å; V1657-W1659 HydrophobicContact CG1-CZ2 4.26Å; W1659-N1661 VanDerWaalsContact C-N 3.27Å; W1659-N1661 PolarHBondContact O-N 3.49Å; W1659-M1662 HydrophobicContact CE3-CE 4.24Å; W1659-M1662 HydrophobicContact CE3-SD 4.04Å; W1659-M1662 PolarHBondContact O-N 3.23Å; W1659-M1662 VanDerWaalsContact O-N 3.15Å; W1659-A1663 PolarHBondContact O-N 3.13Å | ||
| 1660 | N | 87.2 | Confident | 89 | Confident | 66 Ų | 66 | 28.5 Ų | 28.5 | 35% | 0.353 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59.7 | -33.8 | -167.8 | -62.6 | -28.2 | 0 | 0 | 0 | 113.1 | G1658 A1663 F1664 L1753 | G1658-N1660 PolarHBondContact O-N 3.28Å; N1660-A1663 PolarHBondContact O-N 3.36Å; N1660-F1664 WeakPolarHBondContact O-CB 3.11Å; N1660-F1664 PolarHBondContact O-N 2.94Å; N1660-L1753 HydrophobicContact CB-CD1 3.57Å |
| 1661 | N | 85.2 | Confident | 88.8 | Confident | 58 Ų | 58 | 29.2 Ų | 29.2 | 31% | 0.31 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.8 | -48.9 | 177.1 | -58.9 | 15 | 0 | 0 | 0 | 111.7 | W1659 F1664 V1665 L1753 D1754 | W1659-N1661 VanDerWaalsContact C-N 3.27Å; W1659-N1661 PolarHBondContact O-N 3.49Å; N1661-F1664 PolarHBondContact O-N 3.44Å; N1661-V1665 WeakPolarHBondContact O-CG2 3.27Å; N1661-V1665 PolarHBondContact O-N 2.83Å; N1661-L1753 WeakPolarHBondContact OD1-CG 3.39Å; N1661-D1754 PolarHBondContact ND2-O 3.45Å |
| 1662 | M | 87.3 | Confident | 88.5 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.059 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.9 | -40.6 | 175.9 | -71.6 | -166.3 | -152.7 | 0 | 0 | 111.5 | C1654 W1659 F1664 V1665 F1666 L1757 P1758 Y1765 | C1654-M1662 HydrophobicContact CB-CB 4.35Å; W1659-M1662 HydrophobicContact CE3-CE 4.24Å; W1659-M1662 HydrophobicContact CE3-SD 4.04Å; W1659-M1662 PolarHBondContact O-N 3.23Å; W1659-M1662 VanDerWaalsContact O-N 3.15Å; M1662-F1664 VanDerWaalsContact C-N 3.3Å; M1662-F1664 PolarHBondContact O-N 2.85Å; M1662-V1665 PolarHBondContact O-N 2.88Å; M1662-F1666 HydrophobicContact CB-CD2 4.25Å; M1662-F1666 HydrophobicContact CB-CE2 3.76Å; M1662-F1666 HydrophobicContact CB-CZ 4.3Å; M1662-F1666 HydrophobicContact CG-CE2 4.35Å; M1662-F1666 VanDerWaalsContact O-CD2 3.23Å; M1662-F1666 WeakPolarHBondContact O-CD2 3.42Å; M1662-F1666 VanDerWaalsContact O-CG 3.3Å; M1662-F1666 WeakPolarHBondContact O-CG 3.44Å; M1662-F1666 PolarHBondContact O-N 2.87Å; M1662-F1666 HydrophobicContact SD-CE2 4.21Å; M1662-F1666 HydrophobicContact SD-CZ 4.46Å; M1662-L1757 HydrophobicContact CG-CD2 4.42Å; M1662-P1758 HydrophobicContact CE-CG 3.23Å; M1662-P1758 HydrophobicContact CG-CG 4.08Å; M1662-P1758 HydrophobicContact SD-CG 4.42Å; M1662-Y1765 HydrophobicContact SD-CE2 4.42Å |
| 1663 | A | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1654 R1655 W1659 N1660 L1667 W1743 | C1654-A1663 HydrophobicContact CB-CB 3.75Å; R1655-A1663 HydrophobicContact CB-CB 4.06Å; W1659-A1663 PolarHBondContact O-N 3.13Å; N1660-A1663 PolarHBondContact O-N 3.36Å; A1663-L1667 VanDerWaalsContact O-CB 3.23Å; A1663-L1667 WeakPolarHBondContact O-CB 3.41Å; A1663-L1667 VanDerWaalsContact O-CG 3.23Å; A1663-L1667 WeakPolarHBondContact O-CG 3.49Å; A1663-L1667 PolarHBondContact O-N 2.69Å; A1663-W1743 HydrophobicContact CB-CH2 3.65Å; A1663-W1743 HydrophobicContact CB-CZ2 4.37Å; A1663-W1743 HydrophobicContact CB-CZ3 4.46Å |
| 1664 | F | 88.4 | Confident | 87.9 | Confident | 17 Ų | 17 | 29.6 Ų | 29.6 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.4 | -52.7 | 174.7 | -178.3 | -93.4 | 0 | 0 | 0 | 111.2 | N1660 N1661 M1662 F1666 L1667 N1668 I1744 I1747 L1753 Q1755 | N1660-F1664 WeakPolarHBondContact O-CB 3.11Å; N1660-F1664 PolarHBondContact O-N 2.94Å; N1661-F1664 PolarHBondContact O-N 3.44Å; M1662-F1664 VanDerWaalsContact C-N 3.3Å; M1662-F1664 PolarHBondContact O-N 2.85Å; F1664-F1666 PolarHBondContact O-N 3.21Å; F1664-L1667 PolarHBondContact O-N 2.93Å; F1664-N1668 VanDerWaalsContact O-CB 3.23Å; F1664-N1668 WeakPolarHBondContact O-CB 3.45Å; F1664-N1668 PolarHBondContact O-N 3.38Å; F1664-I1744 HydrophobicContact CE2-CG2 4.03Å; F1664-I1747 HydrophobicContact CD2-CB 4.4Å; F1664-I1747 HydrophobicContact CD2-CG2 3.69Å; F1664-I1747 HydrophobicContact CE2-CG2 4.25Å; F1664-L1753 HydrophobicContact CB-CD2 4.04Å; F1664-L1753 HydrophobicContact CG-CD2 4.21Å; F1664-Q1755 HydrophobicContact CD1-CG 4.28Å; F1664-Q1755 HydrophobicContact CE1-CB 4.34Å; F1664-Q1755 HydrophobicContact CE1-CG 3.86Å; F1664-Q1755 HydrophobicContact CZ-CG 4.48Å |
| 1665 | V | 87.5 | Confident | 87.5 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | -178.9 | 177.3 | 0 | 0 | 0 | 0 | 112 | N1661 M1662 R1669 F1692 L1757 | N1661-V1665 WeakPolarHBondContact O-CG2 3.27Å; N1661-V1665 PolarHBondContact O-N 2.83Å; M1662-V1665 PolarHBondContact O-N 2.88Å; V1665-R1669 PolarHBondContact O-N 3.35Å; V1665-R1669 VanDerWaalsContact O-N 3.14Å; V1665-F1692 HydrophobicContact CG1-CE1 4.19Å; V1665-F1692 HydrophobicContact CG1-CZ 4.06Å; V1665-L1757 HydrophobicContact CB-CD2 4.05Å; V1665-L1757 HydrophobicContact CG1-CD2 3.91Å; V1665-L1757 HydrophobicContact CG1-CG 4.16Å; V1665-L1757 HydrophobicContact CG2-CD2 4.26Å |
| 1666 | F | 90.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73 | -39.4 | -178.6 | -59.5 | -31.1 | 0 | 0 | 0 | 113.4 | V1632 L1635 F1647 A1650 M1662 F1664 Y1670 I1720 L1757 Y1765 | V1632-F1666 HydrophobicContact CG2-CE2 4.01Å; L1635-F1666 HydrophobicContact CD1-CD1 3.71Å; L1635-F1666 HydrophobicContact CD1-CD2 4.05Å; L1635-F1666 HydrophobicContact CD1-CE1 3.53Å; L1635-F1666 HydrophobicContact CD1-CE2 3.88Å; L1635-F1666 HydrophobicContact CD1-CG 4Å; L1635-F1666 HydrophobicContact CD1-CZ 3.64Å; F1647-F1666 HydrophobicContact CD1-CB 4.31Å; F1647-F1666 HydrophobicContact CD1-CD1 4.3Å; F1647-F1666 HydrophobicContact CE1-CD1 4.29Å; A1650-F1666 HydrophobicContact CB-CD2 4.16Å; M1662-F1666 HydrophobicContact CB-CD2 4.25Å; M1662-F1666 HydrophobicContact CB-CE2 3.76Å; M1662-F1666 HydrophobicContact CB-CZ 4.3Å; M1662-F1666 HydrophobicContact CG-CE2 4.35Å; M1662-F1666 VanDerWaalsContact O-CD2 3.23Å; M1662-F1666 WeakPolarHBondContact O-CD2 3.42Å; M1662-F1666 VanDerWaalsContact O-CG 3.3Å; M1662-F1666 WeakPolarHBondContact O-CG 3.44Å; M1662-F1666 PolarHBondContact O-N 2.87Å; M1662-F1666 HydrophobicContact SD-CE2 4.21Å; M1662-F1666 HydrophobicContact SD-CZ 4.46Å; F1664-F1666 PolarHBondContact O-N 3.21Å; F1666-Y1670 PolarHBondContact O-N 2.78Å; F1666-I1720 HydrophobicContact CE1-CD1 4.33Å; F1666-L1757 HydrophobicContact CE1-CD2 3.92Å; F1666-L1757 HydrophobicContact CZ-CD2 4.03Å; F1666-Y1765 VanDerWaalsContact CZ-OH 3.32Å; F1666-Y1765 WeakPolarHBondContact CZ-OH 3.21Å |
| 1667 | L | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.8 | -31 | 177.7 | -66.6 | 173.6 | 0 | 0 | 0 | 111.7 | Y1648 A1663 F1664 Y1670 L1671 I1740 W1743 I1744 | Y1648-L1667 HydrophobicContact CD2-CD2 4.34Å; A1663-L1667 VanDerWaalsContact O-CB 3.23Å; A1663-L1667 WeakPolarHBondContact O-CB 3.41Å; A1663-L1667 VanDerWaalsContact O-CG 3.23Å; A1663-L1667 WeakPolarHBondContact O-CG 3.49Å; A1663-L1667 PolarHBondContact O-N 2.69Å; F1664-L1667 PolarHBondContact O-N 2.93Å; L1667-Y1670 WeakPolarHBondContact O-CB 3.42Å; L1667-Y1670 PolarHBondContact O-N 3.35Å; L1667-L1671 PolarHBondContact O-N 2.66Å; L1667-L1671 VanDerWaalsContact O-N 3.08Å; L1667-I1740 HydrophobicContact CB-CG2 3.9Å; L1667-I1740 HydrophobicContact CD1-CG2 4.32Å; L1667-I1740 HydrophobicContact CD2-CG2 4Å; L1667-I1740 HydrophobicContact CG-CG2 4.29Å; L1667-W1743 HydrophobicContact CB-CZ3 4.45Å; L1667-W1743 HydrophobicContact CD1-CE3 3.7Å; L1667-W1743 HydrophobicContact CD1-CH2 4.15Å; L1667-W1743 HydrophobicContact CD1-CZ3 3.48Å; L1667-W1743 VanDerWaalsContact CD1-CZ3 3.48Å; L1667-I1744 VanDerWaalsContact C-CD1 3.47Å; L1667-I1744 HydrophobicContact CB-CD1 3.79Å; L1667-I1744 HydrophobicContact CB-CG1 4.27Å; L1667-I1744 WeakPolarHBondContact O-CD1 3.05Å |
| 1668 | N | 88.6 | Confident | 86.7 | Confident | 39 Ų | 39 | 30.8 Ų | 30.8 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.9 | -48.6 | 172.5 | -161.2 | 46.5 | 0 | 0 | 0 | 110.7 | F1664 Y1670 L1671 D1672 D1691 | F1664-N1668 VanDerWaalsContact O-CB 3.23Å; F1664-N1668 WeakPolarHBondContact O-CB 3.45Å; F1664-N1668 PolarHBondContact O-N 3.38Å; N1668-Y1670 VanDerWaalsContact C-N 3.25Å; N1668-Y1670 PolarHBondContact O-N 2.82Å; N1668-L1671 WeakPolarHBondContact O-CB 3.37Å; N1668-L1671 PolarHBondContact O-N 2.62Å; N1668-D1672 PolarHBondContact O-N 3.01Å; N1668-D1672 VanDerWaalsContact O-N 3.11Å; N1668-D1691 PolarHBondContact ND2-OD2 3Å |
| 1669 | R | 86.3 | Confident | 86.2 | Confident | 13 Ų | 13 | 31.9 Ų | 31.9 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -34.3 | 174.1 | -176.7 | 54.2 | 56.3 | 143.1 | 2 | 113 | F1647 V1665 D1672 L1673 D1688 F1692 | F1647-R1669 HydrophobicContact CD1-CB 3.96Å; F1647-R1669 HydrophobicContact CD1-CG 3.83Å; F1647-R1669 HydrophobicContact CD2-CG 4.3Å; F1647-R1669 HydrophobicContact CE1-CB 4.01Å; F1647-R1669 HydrophobicContact CE1-CG 3.59Å; F1647-R1669 HydrophobicContact CE2-CG 4.09Å; F1647-R1669 HydrophobicContact CG-CG 4.19Å; F1647-R1669 HydrophobicContact CZ-CG 3.73Å; V1665-R1669 PolarHBondContact O-N 3.35Å; V1665-R1669 VanDerWaalsContact O-N 3.14Å; R1669-D1672 IonicContact NE-OD2 2.79Å; R1669-D1672 PolarHBondContact O-N 2.9Å; R1669-L1673 HydrophobicContact CG-CD1 4.49Å; R1669-L1673 WeakPolarHBondContact O-CG 3.41Å; R1669-L1673 PolarHBondContact O-N 2.87Å; R1669-D1688 PolarHBondContact NH1-O 3.12Å; R1669-D1688 PolarHBondContact NH2-O 2.92Å; R1669-F1692 HydrophobicContact CG-CE2 4.35Å |
| 1670 | Y | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 172.7 | 154 | -92.1 | 0 | 0 | 0 | 112 | Y1648 F1666 L1667 N1668 L1673 V1674 T1732 H1737 I1740 | Y1648-Y1670 HydrophobicContact CG-CE2 4.48Å; F1666-Y1670 PolarHBondContact O-N 2.78Å; L1667-Y1670 WeakPolarHBondContact O-CB 3.42Å; L1667-Y1670 PolarHBondContact O-N 3.35Å; N1668-Y1670 VanDerWaalsContact C-N 3.25Å; N1668-Y1670 PolarHBondContact O-N 2.82Å; Y1670-L1673 PolarHBondContact O-N 2.84Å; Y1670-V1674 HydrophobicContact CD1-CG2 4.41Å; Y1670-V1674 HydrophobicContact CD2-CG2 3.95Å; Y1670-V1674 HydrophobicContact CE1-CG2 3.94Å; Y1670-V1674 HydrophobicContact CE2-CG2 3.45Å; Y1670-V1674 VanDerWaalsContact CE2-CG2 3.45Å; Y1670-V1674 HydrophobicContact CG-CG2 4.41Å; Y1670-V1674 VanDerWaalsContact CZ-CG2 3.44Å; Y1670-V1674 WeakPolarHBondContact O-CG2 3.38Å; Y1670-V1674 PolarHBondContact O-N 2.6Å; Y1670-T1732 HydrophobicContact CE2-CG2 3.71Å; Y1670-T1732 VanDerWaalsContact OH-CB 3.3Å; Y1670-T1732 WeakPolarHBondContact OH-CB 3.24Å; Y1670-T1732 WeakPolarHBondContact OH-CG2 3.37Å; Y1670-T1732 PolarHBondContact OH-OG1 2.96Å; Y1670-H1737 AromaticContact CE1-ND1 3.98Å; Y1670-H1737 AromaticContact CZ-ND1 3.98Å; Y1670-H1737 PolarHBondContact OH-ND1 2.88Å; Y1670-I1740 HydrophobicContact CD1-CD1 4Å; Y1670-I1740 HydrophobicContact CD1-CG2 4.05Å; Y1670-I1740 HydrophobicContact CE1-CB 4.31Å; Y1670-I1740 HydrophobicContact CE1-CD1 3.29Å; Y1670-I1740 HydrophobicContact CE1-CG1 4.41Å; Y1670-I1740 HydrophobicContact CE1-CG2 4.07Å |
| 1671 | L | 87.8 | Confident | 83.6 | Confident | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.9 | -69.4 | -175.6 | 0 | 0 | 0 | 111.4 | L1667 N1668 L1673 V1674 E1675 H1737 I1740 R1741 I1744 | L1667-L1671 PolarHBondContact O-N 2.66Å; L1667-L1671 VanDerWaalsContact O-N 3.08Å; N1668-L1671 WeakPolarHBondContact O-CB 3.37Å; N1668-L1671 PolarHBondContact O-N 2.62Å; L1671-L1673 VanDerWaalsContact C-N 3.28Å; L1671-L1673 PolarHBondContact O-N 3.14Å; L1671-V1674 WeakPolarHBondContact O-CB 3.18Å; L1671-V1674 PolarHBondContact O-N 3.34Å; L1671-V1674 VanDerWaalsContact O-N 3.1Å; L1671-E1675 WeakPolarHBondContact O-CG 3.37Å; L1671-E1675 PolarHBondContact O-N 3.43Å; L1671-H1737 VanDerWaalsContact CD2-CE1 3.41Å; L1671-H1737 WeakPolarHBondContact CD2-CE1 3.47Å; L1671-I1740 HydrophobicContact CD2-CG2 4.47Å; L1671-R1741 HydrophobicContact CD2-CB 4.5Å; L1671-I1744 HydrophobicContact CD1-CD1 3.42Å; L1671-I1744 VanDerWaalsContact CD1-CD1 3.42Å; L1671-I1744 HydrophobicContact CG-CD1 3.83Å |
| 1672 | D | 84.5 | Confident | 82.1 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 22% | 0.219 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 175.9 | -54.2 | -31.6 | 0 | 0 | 0 | 111.7 | N1668 R1669 E1675 A1676 L1687 | N1668-D1672 PolarHBondContact O-N 3.01Å; N1668-D1672 VanDerWaalsContact O-N 3.11Å; R1669-D1672 IonicContact NE-OD2 2.79Å; R1669-D1672 PolarHBondContact O-N 2.9Å; D1672-E1675 PolarHBondContact O-N 2.91Å; D1672-A1676 WeakPolarHBondContact O-CB 3.41Å; D1672-A1676 PolarHBondContact O-N 2.97Å; D1672-L1687 HydrophobicContact CB-CD2 3.78Å |
| 1673 | L | 84.7 | Confident | 80.5 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.7 | -36.9 | 175.9 | -71.9 | 170.8 | 0 | 0 | 0 | 112 | A1643 F1647 R1669 Y1670 L1671 A1676 I1677 L1687 V1724 | A1643-L1673 HydrophobicContact CB-CD1 3.8Å; A1643-L1673 HydrophobicContact CB-CD2 4.34Å; F1647-L1673 HydrophobicContact CB-CD1 4.42Å; F1647-L1673 HydrophobicContact CD2-CD1 3.48Å; F1647-L1673 VanDerWaalsContact CD2-CD1 3.48Å; F1647-L1673 HydrophobicContact CE2-CD1 4.05Å; F1647-L1673 HydrophobicContact CG-CD1 4.18Å; R1669-L1673 HydrophobicContact CG-CD1 4.49Å; R1669-L1673 WeakPolarHBondContact O-CG 3.41Å; R1669-L1673 PolarHBondContact O-N 2.87Å; Y1670-L1673 PolarHBondContact O-N 2.84Å; L1671-L1673 VanDerWaalsContact C-N 3.28Å; L1671-L1673 PolarHBondContact O-N 3.14Å; L1673-A1676 PolarHBondContact O-N 3.48Å; L1673-I1677 WeakPolarHBondContact O-CD1 3.45Å; L1673-I1677 WeakPolarHBondContact O-CG1 3.02Å; L1673-I1677 PolarHBondContact O-N 2.87Å; L1673-L1687 HydrophobicContact CD2-CD1 4.27Å; L1673-V1724 HydrophobicContact CD2-CG2 4.07Å |
| 1674 | V | 85.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 174.6 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | Y1670 L1671 A1676 I1677 E1678 L1730 | Y1670-V1674 HydrophobicContact CD1-CG2 4.41Å; Y1670-V1674 HydrophobicContact CD2-CG2 3.95Å; Y1670-V1674 HydrophobicContact CE1-CG2 3.94Å; Y1670-V1674 HydrophobicContact CE2-CG2 3.45Å; Y1670-V1674 VanDerWaalsContact CE2-CG2 3.45Å; Y1670-V1674 HydrophobicContact CG-CG2 4.41Å; Y1670-V1674 VanDerWaalsContact CZ-CG2 3.44Å; Y1670-V1674 WeakPolarHBondContact O-CG2 3.38Å; Y1670-V1674 PolarHBondContact O-N 2.6Å; L1671-V1674 WeakPolarHBondContact O-CB 3.18Å; L1671-V1674 PolarHBondContact O-N 3.34Å; L1671-V1674 VanDerWaalsContact O-N 3.1Å; V1674-A1676 VanDerWaalsContact C-N 3.26Å; V1674-A1676 PolarHBondContact O-N 2.87Å; V1674-I1677 PolarHBondContact O-N 2.89Å; V1674-I1677 VanDerWaalsContact O-N 3.1Å; V1674-E1678 HydrophobicContact CG1-CG 4.34Å; V1674-E1678 WeakPolarHBondContact O-CG 3.44Å; V1674-E1678 PolarHBondContact O-N 3.42Å; V1674-L1730 HydrophobicContact CB-CD1 4.08Å; V1674-L1730 HydrophobicContact CG1-CD1 3.72Å; V1674-L1730 HydrophobicContact CG1-CD2 4.3Å; V1674-L1730 HydrophobicContact CG2-CD1 3.76Å |
| 1675 | E | 83.6 | Confident | 76.6 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 176.6 | -69.9 | -176.7 | -179.9 | 0 | 0 | 111.4 | L1671 D1672 E1678 D1679 | L1671-E1675 WeakPolarHBondContact O-CG 3.37Å; L1671-E1675 PolarHBondContact O-N 3.43Å; D1672-E1675 PolarHBondContact O-N 2.91Å; E1675-E1678 PolarHBondContact O-N 3.11Å; E1675-D1679 PolarHBondContact O-N 3.48Å |
| 1676 | A | 81.6 | Confident | 74.8 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.6 | -30.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D1672 L1673 V1674 S1683 L1687 I1726 | D1672-A1676 WeakPolarHBondContact O-CB 3.41Å; D1672-A1676 PolarHBondContact O-N 2.97Å; L1673-A1676 PolarHBondContact O-N 3.48Å; V1674-A1676 VanDerWaalsContact C-N 3.26Å; V1674-A1676 PolarHBondContact O-N 2.87Å; A1676-S1683 WeakPolarHBondContact CA-OG 3.38Å; A1676-S1683 PolarHBondContact O-OG 2.97Å; A1676-L1687 HydrophobicContact CB-CD2 4.36Å; A1676-I1726 HydrophobicContact CB-CD1 4.47Å |
| 1677 | I | 83.4 | Confident | 73.4 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.6 | -37.5 | 174.1 | -68.1 | 162.8 | 0 | 0 | 0 | 110.8 | D1644 L1673 V1674 I1726 P1727 L1730 | D1644-I1677 HydrophobicContact CB-CD1 3.89Å; L1673-I1677 WeakPolarHBondContact O-CD1 3.45Å; L1673-I1677 WeakPolarHBondContact O-CG1 3.02Å; L1673-I1677 PolarHBondContact O-N 2.87Å; V1674-I1677 PolarHBondContact O-N 2.89Å; V1674-I1677 VanDerWaalsContact O-N 3.1Å; I1677-I1726 HydrophobicContact CG1-CG2 3.63Å; I1677-P1727 HydrophobicContact CD1-CB 4.37Å; I1677-P1727 HydrophobicContact CD1-CG 4.15Å; I1677-L1730 HydrophobicContact CD1-CD1 3.99Å; I1677-L1730 HydrophobicContact CG2-CD1 4.4Å |
| 1678 | E | 82.3 | Confident | 71.8 | Confident | 134 Ų | 134 | 64.4 Ų | 64.4 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -74.2 | -34.9 | 179.5 | -71.7 | -175.6 | 169.7 | 0 | 0 | 113.1 | V1674 E1675 P1680 | V1674-E1678 HydrophobicContact CG1-CG 4.34Å; V1674-E1678 WeakPolarHBondContact O-CG 3.44Å; V1674-E1678 PolarHBondContact O-N 3.42Å; E1675-E1678 PolarHBondContact O-N 3.11Å; E1678-P1680 WeakPolarHBondContact O-CD 3.31Å |
| 1679 | D | 75.9 | Confident | 70.4 | Confident | 65 Ų | 65 | 64 Ų | 64 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | trans | -122.8 | 76.3 | 177 | -168.2 | -9.1 | 0 | 0 | 0 | 112.1 | E1675 E1681 N1682 S1683 | E1675-D1679 PolarHBondContact O-N 3.48Å; D1679-E1681 PolarHBondContact O-N 2.91Å; D1679-E1681 PolarHBondContact OD1-N 2.71Å; D1679-N1682 PolarHBondContact OD1-N 3.33Å; D1679-N1682 WeakPolarHBondContact OD2-CB 3.42Å; D1679-N1682 PolarHBondContact OD2-ND2 2.77Å; D1679-S1683 WeakPolarHBondContact O-CB 3.31Å; D1679-S1683 PolarHBondContact O-N 2.94Å; D1679-S1683 PolarHBondContact O-OG 3.25Å | ||
| 1680 | P | 65.4 | Low | 69.1 | Low | 86 Ų | 86 | 65.8 Ų | 65.8 | 56% | 0.558 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -14.3 | -179.4 | 25.7 | -33 | 0 | 0 | 0 | 113.8 | E1678 | E1678-P1680 WeakPolarHBondContact O-CD 3.31Š|
| 1681 | E | 57.2 | Low | 67.6 | Low | 177 Ų | 177 | 68.9 Ų | 68.9 | 83% | 0.827 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -29.1 | -177.3 | -66.5 | -168.1 | 166.2 | 0 | 0 | 113 | D1679 | D1679-E1681 PolarHBondContact O-N 2.91Å; D1679-E1681 PolarHBondContact OD1-N 2.71Å |
| 1682 | N | 53.3 | Low | 66.4 | Low | 127 Ų | 127 | 68.7 Ų | 68.7 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -20.7 | -177.5 | -75.5 | -40.8 | 0 | 0 | 0 | 115.6 | D1679 | D1679-N1682 PolarHBondContact OD1-N 3.33Å; D1679-N1682 WeakPolarHBondContact OD2-CB 3.42Å; D1679-N1682 PolarHBondContact OD2-ND2 2.77Å |
| 1683 | S | 53 | Low | 65 | Low | 16 Ų | 16 | 72.7 Ų | 72.7 | 11% | 0.112 | 40% | 0.396 | C | S | . | . | trans | -96.2 | -7.4 | -163.6 | 55.6 | 0 | 0 | 0 | 0 | 115.3 | A1676 D1679 N1685 S1686 | A1676-S1683 WeakPolarHBondContact CA-OG 3.38Å; A1676-S1683 PolarHBondContact O-OG 2.97Å; D1679-S1683 WeakPolarHBondContact O-CB 3.31Å; D1679-S1683 PolarHBondContact O-N 2.94Å; D1679-S1683 PolarHBondContact O-OG 3.25Å; S1683-N1685 PolarHBondContact O-N 3.29Å; S1683-S1686 PolarHBondContact O-N 3.47Å; S1683-S1686 VanDerWaalsContact O-N 3.16Å | ||
| 1684 | S | 45.7 | Very low | 63 | Low | 87 Ų | 87 | 75.9 Ų | 75.9 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -4.8 | -170.1 | 77.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1685 | N | 50.3 | Low | 60.5 | Low | 163 Ų | 163 | 81.3 Ų | 81.3 | 87% | 0.872 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.4 | 8.3 | 178.1 | -73.9 | -35.1 | 0 | 0 | 0 | 113.7 | S1683 | S1683-N1685 PolarHBondContact O-N 3.29Š|
| 1686 | S | 51.2 | Low | 58.2 | Low | 81 Ų | 81 | 81.9 Ų | 81.9 | 57% | 0.566 | 46% | 0.464 | S | S | * | . | trans | -131.9 | 18.3 | -165 | 68.9 | 0 | 0 | 0 | 0 | 116.5 | S1683 D1688 | S1683-S1686 PolarHBondContact O-N 3.47Å; S1683-S1686 VanDerWaalsContact O-N 3.16Å; S1686-D1688 VanDerWaalsContact C-N 3.29Å; S1686-D1688 PolarHBondContact O-N 3.29Å | ||
| 1687 | L | 61.1 | Low | 55.7 | Low | 53 Ų | 53 | 88.5 Ų | 88.5 | 28% | 0.277 | 50% | 0.503 | S | S | . | . | trans | -70 | 89.6 | 166.6 | -73 | 171.9 | 0 | 0 | 0 | 109 | D1672 L1673 A1676 S1689 | D1672-L1687 HydrophobicContact CB-CD2 3.78Å; L1673-L1687 HydrophobicContact CD2-CD1 4.27Å; A1676-L1687 HydrophobicContact CB-CD2 4.36Å; L1687-S1689 PolarHBondContact O-N 3.21Å; L1687-S1689 PolarHBondContact O-OG 3.02Å | ||
| 1688 | D | 57.1 | Low | 53.2 | Low | 117 Ų | 117 | 92.8 Ų | 92.8 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | trans | -57.9 | 136.2 | 178.8 | -162.9 | -9 | 0 | 0 | 0 | 109.8 | R1669 S1686 S1690 | R1669-D1688 PolarHBondContact NH1-O 3.12Å; R1669-D1688 PolarHBondContact NH2-O 2.92Å; S1686-D1688 VanDerWaalsContact C-N 3.29Å; S1686-D1688 PolarHBondContact O-N 3.29Å; D1688-S1690 PolarHBondContact OD1-N 3.05Å | ||
| 1689 | S | 57.9 | Low | 50.6 | Low | 30 Ų | 30 | 93.4 Ų | 93.4 | 21% | 0.21 | 54% | 0.54 | C | S | . | . | trans | -115.5 | 10.3 | -168.6 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | L1687 D1691 F1692 M1722 | L1687-S1689 PolarHBondContact O-N 3.21Å; L1687-S1689 PolarHBondContact O-OG 3.02Å; S1689-D1691 PolarHBondContact O-N 2.84Å; S1689-F1692 PolarHBondContact O-N 2.81Å; S1689-M1722 WeakPolarHBondContact OG-CE 3.3Å | ||
| 1690 | S | 59.4 | Low | 48.5 | Very low | 51 Ų | 51 | 99.7 Ų | 99.7 | 36% | 0.357 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -50.7 | -40.3 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | D1688 F1692 Q1693 | D1688-S1690 PolarHBondContact OD1-N 3.05Å; S1690-F1692 PolarHBondContact O-N 3.02Å; S1690-F1692 VanDerWaalsContact O-N 3.13Å; S1690-Q1693 WeakPolarHBondContact O-CB 3.44Å; S1690-Q1693 PolarHBondContact O-N 3.21Å |
| 1691 | D | 59.9 | Low | 47 | Very low | 65 Ų | 65 | 104 Ų | 104 | 35% | 0.348 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -68.5 | -17.6 | -171.1 | -61.3 | -1.7 | 0 | 0 | 0 | 113.5 | N1668 S1689 | N1668-D1691 PolarHBondContact ND2-OD2 3Å; S1689-D1691 PolarHBondContact O-N 2.84Å |
| 1692 | F | 62.7 | Low | 45.5 | Very low | 12 Ų | 12 | 100.9 Ų | 100.9 | 5% | 0.053 | 57% | 0.573 | C | S | . | * | G | 310 helix | trans | -101.4 | -1.1 | 175.8 | -65 | -82.9 | 0 | 0 | 0 | 113 | F1647 V1665 R1669 S1689 S1690 T1718 I1720 M1722 L1757 | F1647-F1692 HydrophobicContact CE1-CZ 4.22Å; V1665-F1692 HydrophobicContact CG1-CE1 4.19Å; V1665-F1692 HydrophobicContact CG1-CZ 4.06Å; R1669-F1692 HydrophobicContact CG-CE2 4.35Å; S1689-F1692 PolarHBondContact O-N 2.81Å; S1690-F1692 PolarHBondContact O-N 3.02Å; S1690-F1692 VanDerWaalsContact O-N 3.13Å; F1692-T1718 HydrophobicContact CB-CG2 4.06Å; F1692-T1718 HydrophobicContact CD1-CG2 4.12Å; F1692-T1718 HydrophobicContact CG-CG2 4.49Å; F1692-I1720 HydrophobicContact CE1-CD1 4.12Å; F1692-M1722 HydrophobicContact CB-CE 4.45Å; F1692-L1757 HydrophobicContact CD1-CD1 3.59Å; F1692-L1757 HydrophobicContact CE1-CD1 3.77Å |
| 1693 | Q | 53.2 | Low | 44.2 | Very low | 125 Ų | 125 | 100.1 Ų | 100.1 | 58% | 0.584 | 58% | 0.576 | S | S | * | * | trans | -92.4 | 124.8 | 177 | -69.9 | -179.1 | 4.2 | 0 | 0 | 111.5 | S1690 L1716 | S1690-Q1693 WeakPolarHBondContact O-CB 3.44Å; S1690-Q1693 PolarHBondContact O-N 3.21Å; Q1693-L1716 HydrophobicContact CG-CD2 3.61Å | ||
| 1694 | V | 44.6 | Very low | 43.2 | Very low | 70 Ų | 70 | 106 Ų | 106 | 42% | 0.424 | 61% | 0.611 | S | S | . | * | trans | -92.8 | 110.9 | -178.5 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | V1696 | V1694-V1696 HydrophobicContact CG1-CG2 4Å; V1694-V1696 PolarHBondContact O-N 3.32Å | ||
| 1695 | S | 32.8 | Very low | 42.5 | Very low | 113 Ų | 113 | 108.3 Ų | 108.3 | 79% | 0.79 | 62% | 0.621 | S | S | * | * | trans | -73.7 | 107.2 | 170.4 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1696 | V | 34.9 | Very low | 41.5 | Very low | 117 Ų | 117 | 109.7 Ų | 109.7 | 71% | 0.709 | 63% | 0.625 | S | S | * | * | trans | -101.3 | 101.7 | 169.4 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | V1694 | V1694-V1696 HydrophobicContact CG1-CG2 4Å; V1694-V1696 PolarHBondContact O-N 3.32Å | ||
| 1697 | V | 29.1 | Very low | 40.4 | Very low | 140 Ų | 140 | 111.9 Ų | 111.9 | 85% | 0.848 | 64% | 0.638 | S | S | * | * | trans | -84.4 | 107.4 | 165.5 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1698 | C | 29.9 | Very low | 39 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | trans | -145.3 | 114.6 | 160.9 | -145.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1699 | M | 27.8 | Very low | 37.7 | Very low | 147 Ų | 147 | 119.6 Ų | 119.6 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | trans | -83.6 | 149.6 | 179.4 | -162.9 | 173.6 | 166.3 | 0 | 0 | 108.2 | ||||
| 1700 | Y | 31.5 | Very low | 36.5 | Very low | 197 Ų | 197 | 122.7 Ų | 122.7 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | trans | 86.1 | 95.6 | 176.3 | -60.3 | -90.2 | 0 | 0 | 0 | 117.8 | ||||
| 1701 | I | 34.6 | Very low | 35.2 | Very low | 176 Ų | 176 | 126.6 Ų | 126.6 | 90% | 0.903 | 70% | 0.7 | S | S | * | * | 171.9 | 132.2 | 118.3 | -85 | 154.4 | 0 | 0 | 0 | 109.6 | |||||
| 1702 | C | 25 | Very low | 33.8 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 75% | 0.75 | 73% | 0.728 | S | S | * | * | trans | -81.4 | 151.6 | -172.3 | -155.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1703 | C | 25.9 | Very low | 32.3 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 81.7 | 124.9 | 165.3 | -60.3 | 0 | 0 | 0 | 0 | 118.5 | ||
| 1704 | V | 31.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | trans | 96.3 | 42.7 | 163.3 | -154.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1705 | V | 32.2 | Very low | 31.1 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -145.2 | 91.1 | 164.2 | -166.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1706 | M | 28.4 | Very low | 32 | Very low | 192 Ų | 192 | 128.6 Ų | 128.6 | 95% | 0.946 | 74% | 0.735 | S | S | * | * | trans | -131.9 | 17.7 | 172.4 | -159.3 | 161 | 163.1 | 0 | 0 | 112.2 | ||||
| 1707 | C | 29.6 | Very low | 33.2 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 86% | 0.858 | 71% | 0.708 | S | S | * | * | trans | -129.4 | 24.8 | -169.4 | -91.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1708 | M | 30.8 | Very low | 35.3 | Very low | 178 Ų | 178 | 117.9 Ų | 117.9 | 88% | 0.877 | 67% | 0.673 | S | S | * | * | trans | -130.4 | 51.4 | -178.1 | -80.2 | -159.9 | 151 | 0 | 0 | 115.4 | ||||
| 1709 | I | 30.4 | Very low | 37.6 | Very low | 154 Ų | 154 | 113.8 Ų | 113.8 | 79% | 0.79 | 64% | 0.642 | S | S | * | * | trans | -111 | 14.4 | 179.6 | -63.8 | 176.3 | 0 | 0 | 0 | 113 | ||||
| 1710 | F | 31 | Very low | 40.3 | Very low | 95 Ų | 95 | 107.1 Ų | 107.1 | 42% | 0.417 | 61% | 0.61 | S | S | . | * | trans | -130.8 | 35 | -164.1 | -93.9 | -55.1 | 0 | 0 | 0 | 118.3 | V518 K519 | V518-F1710 HydrophobicContact CB-CB 4.43Å; V518-F1710 HydrophobicContact CB-CD1 3.81Å; V518-F1710 HydrophobicContact CB-CE1 4.42Å; V518-F1710 HydrophobicContact CB-CG 4.18Å; V518-F1710 HydrophobicContact CG1-CB 4.15Å; V518-F1710 HydrophobicContact CG1-CD1 3.45Å; V518-F1710 VanDerWaalsContact CG1-CD1 3.45Å; V518-F1710 HydrophobicContact CG1-CD2 4Å; V518-F1710 HydrophobicContact CG1-CE1 3.83Å; V518-F1710 HydrophobicContact CG1-CE2 4.32Å; V518-F1710 HydrophobicContact CG1-CG 3.57Å; V518-F1710 HydrophobicContact CG1-CZ 4.25Å; V518-F1710 HydrophobicContact CG2-CB 3.7Å; V518-F1710 HydrophobicContact CG2-CD1 3.92Å; V518-F1710 HydrophobicContact CG2-CG 3.98Å; V518-F1710 WeakPolarHBondContact CG2-O 3.27Å; K519-F1710 VanDerWaalsContact C-CE1 3.42Å; K519-F1710 VanDerWaalsContact C-CZ 3.47Å; K519-F1710 HydrophobicContact CB-CE1 4.16Å; K519-F1710 WeakPolarHBondContact O-CE1 3.42Å; K519-F1710 WeakPolarHBondContact O-CZ 3.21Å | ||
| 1711 | I | 33.5 | Very low | 42.5 | Very low | 134 Ų | 134 | 99.4 Ų | 99.4 | 69% | 0.687 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -132.2 | 132.5 | 160.2 | -54.7 | 173.2 | 0 | 0 | 0 | 104.5 | I1713 | I1711-I1713 HydrophobicContact CB-CD1 4.32Å; I1711-I1713 HydrophobicContact CG2-CD1 3.89Å; I1711-I1713 HydrophobicContact CG2-CG1 3.98Å; I1711-I1713 PolarHBondContact O-N 3.02Å |
| 1712 | G | 29.6 | Very low | 44.3 | Very low | 89 Ų | 89 | 94 Ų | 94 | 92% | 0.918 | 56% | 0.556 | S | S | * | * | trans | -64.9 | 47.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1713 | I | 32.1 | Very low | 46.5 | Very low | 99 Ų | 99 | 97.5 Ų | 97.5 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | trans | -94.1 | 88.8 | 167.6 | -59.3 | 164.9 | 0 | 0 | 0 | 104.2 | I1711 V1715 | I1711-I1713 HydrophobicContact CB-CD1 4.32Å; I1711-I1713 HydrophobicContact CG2-CD1 3.89Å; I1711-I1713 HydrophobicContact CG2-CG1 3.98Å; I1711-I1713 PolarHBondContact O-N 3.02Å; I1713-V1715 PolarHBondContact O-N 3.26Å | ||
| 1714 | S | 33.2 | Very low | 48.9 | Very low | 72 Ų | 72 | 93.4 Ų | 93.4 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | trans | -46.9 | 128.9 | 162.6 | 51.7 | 0 | 0 | 0 | 0 | 107.9 | L1716 | S1714-L1716 PolarHBondContact O-N 2.87Å; S1714-L1716 WeakPolarHBondContact OG-CD1 3.34Å | ||
| 1715 | V | 39.2 | Very low | 51.1 | Low | 142 Ų | 142 | 90.4 Ų | 90.4 | 86% | 0.861 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -68.4 | 65.4 | 175.1 | -172.6 | 0 | 0 | 0 | 0 | 108.3 | I1713 | I1713-V1715 PolarHBondContact O-N 3.26Š|
| 1716 | L | 51.2 | Low | 53.4 | Low | 25 Ų | 25 | 87.7 Ų | 87.7 | 13% | 0.131 | 50% | 0.496 | C | S | . | . | trans | -121 | 123.1 | -176.5 | -70.8 | 174.7 | 0 | 0 | 0 | 106.2 | Q1693 S1714 T1718 M1722 | Q1693-L1716 HydrophobicContact CG-CD2 3.61Å; S1714-L1716 PolarHBondContact O-N 2.87Å; S1714-L1716 WeakPolarHBondContact OG-CD1 3.34Å; L1716-T1718 HydrophobicContact CB-CG2 4.48Å; L1716-T1718 PolarHBondContact O-N 2.89Å; L1716-M1722 HydrophobicContact CD1-CG 4.03Å; L1716-M1722 HydrophobicContact CD1-SD 4.29Å | ||
| 1717 | G | 61.1 | Low | 55.7 | Low | 14 Ų | 14 | 79.7 Ų | 79.7 | 14% | 0.144 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -75.2 | 26 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1764 Y1765 | G1717-V1764 WeakPolarHBondContact O-CG1 3.48Å; G1717-Y1765 WeakPolarHBondContact O-CB 3.48Å; G1717-Y1765 PolarHBondContact O-N 3.01Å |
| 1718 | T | 73 | Confident | 57.9 | Low | 18 Ų | 18 | 82.4 Ų | 82.4 | 11% | 0.11 | 46% | 0.458 | C | S | . | . | trans | -147.8 | 153.5 | -174.7 | -179 | 0 | 0 | 0 | 0 | 111.8 | F1692 L1716 I1720 | F1692-T1718 HydrophobicContact CB-CG2 4.06Å; F1692-T1718 HydrophobicContact CD1-CG2 4.12Å; F1692-T1718 HydrophobicContact CG-CG2 4.49Å; L1716-T1718 HydrophobicContact CB-CG2 4.48Å; L1716-T1718 PolarHBondContact O-N 2.89Å; T1718-I1720 PolarHBondContact OG1-N 3.33Å | ||
| 1719 | D | 78 | Confident | 60.3 | Low | 33 Ų | 33 | 80.1 Ų | 80.1 | 18% | 0.176 | 45% | 0.45 | C | S | . | . | trans | -111.6 | 13.5 | 176.6 | 64.2 | -15.1 | 0 | 0 | 0 | 113.3 | R1636 S1768 L1769 | R1636-D1719 VanDerWaalsContact CD-OD1 3.3Å; R1636-D1719 WeakPolarHBondContact CD-OD1 3.36Å; R1636-D1719 WeakPolarHBondContact CD-OD2 3.25Å; R1636-D1719 WeakPolarHBondContact CG-OD1 3.29Å; D1719-S1768 WeakPolarHBondContact CB-OG 3.37Å; D1719-S1768 VanDerWaalsContact CG-OG 3.28Å; D1719-S1768 PolarHBondContact N-OG 3.32Å; D1719-S1768 VanDerWaalsContact OD1-CA 3.3Å; D1719-S1768 WeakPolarHBondContact OD1-CA 3.41Å; D1719-S1768 PolarHBondContact OD1-OG 3.41Å; D1719-S1768 WeakPolarHBondContact OD2-CA 3.38Å; D1719-L1769 PolarHBondContact OD2-N 2.73Å | ||
| 1720 | I | 83.8 | Confident | 62.8 | Low | 8 Ų | 8 | 74.5 Ų | 74.5 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -71.1 | 126 | 171.2 | -62.2 | 171.2 | 0 | 0 | 0 | 108.4 | L1635 F1647 F1666 F1692 T1718 M1722 Y1765 | L1635-I1720 HydrophobicContact CB-CD1 4.12Å; L1635-I1720 HydrophobicContact CB-CG1 4.15Å; L1635-I1720 HydrophobicContact CB-CG2 4.45Å; L1635-I1720 HydrophobicContact CD1-CD1 4.18Å; F1647-I1720 HydrophobicContact CZ-CG2 3.96Å; F1666-I1720 HydrophobicContact CE1-CD1 4.33Å; F1692-I1720 HydrophobicContact CE1-CD1 4.12Å; T1718-I1720 PolarHBondContact OG1-N 3.33Å; I1720-M1722 PolarHBondContact O-N 3.13Å; I1720-Y1765 HydrophobicContact CD1-CE1 3.94Å |
| 1721 | P | 78.6 | Confident | 65.3 | Low | 35 Ų | 35 | 71.2 Ų | 71.2 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | trans | -56.4 | 127.9 | 178.1 | -25 | 32.5 | 0 | 0 | 0 | 112.6 | S1638 D1639 V1724 | S1638-P1721 WeakPolarHBondContact OG-CD 3.24Å; D1639-P1721 HydrophobicContact CB-CB 4.4Å; D1639-P1721 HydrophobicContact CB-CG 4.29Å; P1721-V1724 HydrophobicContact CB-CG1 4.18Å | ||
| 1722 | M | 72.4 | Confident | 67.7 | Low | 62 Ų | 62 | 65 Ų | 65 | 31% | 0.305 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -80.7 | -32.3 | 178.2 | -57.7 | -58.1 | -65.6 | 0 | 0 | 112.3 | S1689 F1692 L1716 I1720 | S1689-M1722 WeakPolarHBondContact OG-CE 3.3Å; F1692-M1722 HydrophobicContact CB-CE 4.45Å; L1716-M1722 HydrophobicContact CD1-CG 4.03Å; L1716-M1722 HydrophobicContact CD1-SD 4.29Å; I1720-M1722 PolarHBondContact O-N 3.13Å |
| 1723 | E | 71.1 | Confident | 70.4 | Confident | 184 Ų | 184 | 63.7 Ų | 63.7 | 86% | 0.86 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -102.2 | 111.8 | 175.1 | -67.8 | 179.7 | -175.1 | 0 | 0 | 109 | ||
| 1724 | V | 76.3 | Confident | 72.8 | Confident | 26 Ų | 26 | 64.7 Ų | 64.7 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | trans | -123.9 | 141.5 | -178.5 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | S1638 A1643 L1673 P1721 I1726 | S1638-V1724 WeakPolarHBondContact OG-CG1 3.37Å; A1643-V1724 HydrophobicContact CB-CB 3.94Å; A1643-V1724 HydrophobicContact CB-CG1 4.44Å; A1643-V1724 HydrophobicContact CB-CG2 3.67Å; L1673-V1724 HydrophobicContact CD2-CG2 4.07Å; P1721-V1724 HydrophobicContact CB-CG1 4.18Å; V1724-I1726 PolarHBondContact O-N 2.96Å | ||
| 1725 | P | 78.6 | Confident | 75.4 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 49% | 0.494 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 124.3 | 176.5 | 26.2 | -31.6 | 0 | 0 | 0 | 110.4 | P1727 | P1725-P1727 WeakPolarHBondContact O-CD 3.42Š|
| 1726 | I | 79.9 | Confident | 77.7 | Confident | 79 Ų | 79 | 66.1 Ų | 66.1 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 123.4 | 179.3 | -56.8 | 175.3 | 0 | 0 | 0 | 109.1 | A1676 I1677 V1724 | A1676-I1726 HydrophobicContact CB-CD1 4.47Å; I1677-I1726 HydrophobicContact CG1-CG2 3.63Å; V1724-I1726 PolarHBondContact O-N 2.96Å |
| 1727 | P | 77.4 | Confident | 79.4 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 16% | 0.156 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 144.1 | 176.8 | -19.3 | 30.4 | 0 | 0 | 0 | 113.2 | P1642 D1644 I1677 P1725 | P1642-P1727 HydrophobicContact CB-CG 4.24Å; D1644-P1727 HydrophobicContact CB-CG 4.45Å; D1644-P1727 VanDerWaalsContact OD1-CG 3.32Å; D1644-P1727 WeakPolarHBondContact OD1-CG 3.4Å; I1677-P1727 HydrophobicContact CD1-CB 4.37Å; I1677-P1727 HydrophobicContact CD1-CG 4.15Å; P1725-P1727 WeakPolarHBondContact O-CD 3.42Å |
| 1728 | E | 75.8 | Confident | 80.6 | Confident | 184 Ų | 184 | 71 Ų | 71 | 86% | 0.86 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -71.1 | -27.3 | 177 | -69.3 | -178.6 | 177.2 | 0 | 0 | 113.7 | ||
| 1729 | N | 79.4 | Confident | 81.4 | Confident | 130 Ų | 130 | 73 Ų | 73 | 70% | 0.695 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -132.4 | 139.9 | -178.4 | -65.8 | -67.7 | 0 | 0 | 0 | 109.8 | ||
| 1730 | L | 83.2 | Confident | 81.9 | Confident | 36 Ų | 36 | 71.6 Ų | 71.6 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | trans | -64.4 | 136.5 | 177.9 | -162 | 72.6 | 0 | 0 | 0 | 111.9 | R1560 V1674 I1677 | R1560-L1730 PolarHBondContact NH2-O 3.34Å; V1674-L1730 HydrophobicContact CB-CD1 4.08Å; V1674-L1730 HydrophobicContact CG1-CD1 3.72Å; V1674-L1730 HydrophobicContact CG1-CD2 4.3Å; V1674-L1730 HydrophobicContact CG2-CD1 3.76Å; I1677-L1730 HydrophobicContact CD1-CD1 3.99Å; I1677-L1730 HydrophobicContact CG2-CD1 4.4Å | ||
| 1731 | Y | 84.5 | Confident | 82.1 | Confident | 26 Ų | 26 | 77 Ų | 77 | 10% | 0.102 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -78.8 | -24.6 | 177.1 | 178.5 | -102.9 | 0 | 0 | 0 | 114.7 | R1560 D1644 K1645 Y1648 E1649 | R1560-Y1731 WeakPolarHBondContact CD-O 3.41Å; R1560-Y1731 HydrophobicContact CG-CD2 4.01Å; R1560-Y1731 HydrophobicContact CG-CE2 3.92Å; R1560-Y1731 PolarHBondContact NE-O 3.41Å; R1560-Y1731 PolarHBondContact NH1-O 3.13Å; R1560-Y1731 PolarHBondContact NH2-O 2.91Å; R1560-Y1731 VanDerWaalsContact NH2-O 3.09Å; D1644-Y1731 WeakPolarHBondContact OD2-CB 3.02Å; D1644-Y1731 PolarHBondContact OD2-N 3.26Å; K1645-Y1731 HydrophobicContact CB-CD1 3.91Å; K1645-Y1731 HydrophobicContact CB-CD2 3.91Å; K1645-Y1731 HydrophobicContact CB-CE1 4.34Å; K1645-Y1731 HydrophobicContact CB-CE2 4.35Å; K1645-Y1731 HydrophobicContact CB-CG 3.66Å; K1645-Y1731 HydrophobicContact CD-CD2 3.93Å; K1645-Y1731 HydrophobicContact CD-CE2 3.69Å; K1645-Y1731 HydrophobicContact CD-CG 4.5Å; K1645-Y1731 HydrophobicContact CG-CD1 3.91Å; K1645-Y1731 HydrophobicContact CG-CD2 3.83Å; K1645-Y1731 HydrophobicContact CG-CE1 3.81Å; K1645-Y1731 HydrophobicContact CG-CE2 3.74Å; K1645-Y1731 HydrophobicContact CG-CG 3.9Å; Y1648-Y1731 AromaticContact CD1-CD1 3.84Å; Y1648-Y1731 HydrophobicContact CD1-CD1 3.84Å; Y1648-Y1731 AromaticContact CD1-CE1 3.72Å; Y1648-Y1731 HydrophobicContact CD1-CE1 3.72Å; Y1648-Y1731 HydrophobicContact CE1-CD1 4.43Å; Y1648-Y1731 HydrophobicContact CE1-CE1 4.08Å; E1649-Y1731 HydrophobicContact CG-CE1 4.45Å; E1649-Y1731 PolarHBondContact OE1-OH 3.48Å |
| 1732 | T | 83.4 | Confident | 82.6 | Confident | 2 Ų | 2 | 81.7 Ų | 81.7 | 1% | 0.012 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -101.5 | 149.8 | -176.7 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | R1560 Y1648 Y1670 | R1560-T1732 PolarHBondContact NH1-O 2.86Å; R1560-T1732 PolarHBondContact NH2-O 3.34Å; Y1648-T1732 HydrophobicContact CD1-CG2 3.65Å; Y1648-T1732 HydrophobicContact CD2-CG2 3.89Å; Y1648-T1732 HydrophobicContact CE1-CG2 3.78Å; Y1648-T1732 HydrophobicContact CE2-CG2 4.05Å; Y1648-T1732 HydrophobicContact CG-CG2 3.67Å; Y1670-T1732 HydrophobicContact CE2-CG2 3.71Å; Y1670-T1732 VanDerWaalsContact OH-CB 3.3Å; Y1670-T1732 WeakPolarHBondContact OH-CB 3.24Å; Y1670-T1732 WeakPolarHBondContact OH-CG2 3.37Å; Y1670-T1732 PolarHBondContact OH-OG1 2.96Å |
| 1733 | T | 85.6 | Confident | 83.4 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | trans | -74.4 | 155 | 169.5 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | K1735 E1736 H1737 | T1733-K1735 PolarHBondContact O-N 3.42Å; T1733-K1735 VanDerWaalsContact O-N 3.1Å; T1733-E1736 PolarHBondContact N-OE2 3.48Å; T1733-E1736 PolarHBondContact O-N 3.36Å; T1733-E1736 VanDerWaalsContact OG1-CD 3.31Å; T1733-E1736 VanDerWaalsContact OG1-CG 3.31Å; T1733-E1736 WeakPolarHBondContact OG1-CG 3.35Å; T1733-E1736 PolarHBondContact OG1-N 2.88Å; T1733-E1736 PolarHBondContact OG1-OE2 3.37Å; T1733-H1737 PolarHBondContact O-N 3Å | ||
| 1734 | N | 84.2 | Confident | 84.1 | Confident | 120 Ų | 120 | 72 Ų | 72 | 64% | 0.642 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -53.9 | -35.1 | 177.6 | -65.1 | 5.5 | 0 | 0 | 0 | 112.5 | H1737 E1738 | N1734-H1737 PolarHBondContact O-N 3.41Å; N1734-E1738 WeakPolarHBondContact O-CB 3.41Å; N1734-E1738 WeakPolarHBondContact O-CG 3.23Å; N1734-E1738 PolarHBondContact O-N 3.03Å |
| 1735 | K | 86.2 | Confident | 84.5 | Confident | 173 Ų | 173 | 75.8 Ų | 75.8 | 75% | 0.752 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.8 | -40.1 | 175.7 | -68.1 | -174.8 | 177.1 | -177 | 0 | 113.3 | T1733 S1739 | T1733-K1735 PolarHBondContact O-N 3.42Å; T1733-K1735 VanDerWaalsContact O-N 3.1Å; K1735-S1739 WeakPolarHBondContact O-CB 3.42Å; K1735-S1739 PolarHBondContact O-N 3.43Å |
| 1736 | E | 87.6 | Confident | 84.8 | Confident | 72 Ų | 72 | 76.9 Ų | 76.9 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.6 | -41.7 | 176.7 | -71.2 | 164.5 | 140.9 | 0 | 0 | 110.4 | T1733 S1739 I1740 | T1733-E1736 PolarHBondContact N-OE2 3.48Å; T1733-E1736 PolarHBondContact O-N 3.36Å; T1733-E1736 VanDerWaalsContact OG1-CD 3.31Å; T1733-E1736 VanDerWaalsContact OG1-CG 3.31Å; T1733-E1736 WeakPolarHBondContact OG1-CG 3.35Å; T1733-E1736 PolarHBondContact OG1-N 2.88Å; T1733-E1736 PolarHBondContact OG1-OE2 3.37Å; E1736-S1739 PolarHBondContact O-N 3.48Å; E1736-I1740 VanDerWaalsContact O-CD1 3.26Å; E1736-I1740 WeakPolarHBondContact O-CD1 3.37Å; E1736-I1740 VanDerWaalsContact O-CG1 3.23Å; E1736-I1740 WeakPolarHBondContact O-CG1 3.43Å; E1736-I1740 PolarHBondContact O-N 2.91Å; E1736-I1740 VanDerWaalsContact O-N 3.12Å |
| 1737 | H | 87 | Confident | 84.9 | Confident | 24 Ų | 24 | 74.2 Ų | 74.2 | 11% | 0.111 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 175 | 178.6 | 81.6 | 0 | 0 | 0 | 112.3 | Y1670 L1671 T1733 N1734 S1739 I1740 R1741 | Y1670-H1737 AromaticContact CE1-ND1 3.98Å; Y1670-H1737 AromaticContact CZ-ND1 3.98Å; Y1670-H1737 PolarHBondContact OH-ND1 2.88Å; L1671-H1737 VanDerWaalsContact CD2-CE1 3.41Å; L1671-H1737 WeakPolarHBondContact CD2-CE1 3.47Å; T1733-H1737 PolarHBondContact O-N 3Å; N1734-H1737 PolarHBondContact O-N 3.41Å; H1737-S1739 VanDerWaalsContact C-N 3.34Å; H1737-S1739 PolarHBondContact O-N 2.97Å; H1737-I1740 PolarHBondContact O-N 2.94Å; H1737-R1741 PolarHBondContact O-N 3.09Å |
| 1738 | E | 87.1 | Confident | 84.8 | Confident | 118 Ų | 118 | 75.9 Ų | 75.9 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.2 | -43.7 | 176.7 | -76.6 | 175.6 | 176.1 | 0 | 0 | 112.1 | N1734 I1740 R1741 E1742 | N1734-E1738 WeakPolarHBondContact O-CB 3.41Å; N1734-E1738 WeakPolarHBondContact O-CG 3.23Å; N1734-E1738 PolarHBondContact O-N 3.03Å; E1738-I1740 VanDerWaalsContact C-N 3.34Å; E1738-I1740 PolarHBondContact O-N 3.24Å; E1738-R1741 WeakPolarHBondContact O-CB 3.42Å; E1738-R1741 PolarHBondContact O-N 2.88Å; E1738-E1742 WeakPolarHBondContact O-CG 3.37Å; E1738-E1742 PolarHBondContact O-N 3.47Å |
| 1739 | S | 89 | Confident | 84.9 | Confident | 60 Ų | 60 | 74.5 Ų | 74.5 | 42% | 0.42 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 113.4 | K1735 E1736 H1737 W1743 | K1735-S1739 WeakPolarHBondContact O-CB 3.42Å; K1735-S1739 PolarHBondContact O-N 3.43Å; E1736-S1739 PolarHBondContact O-N 3.48Å; H1737-S1739 VanDerWaalsContact C-N 3.34Å; H1737-S1739 PolarHBondContact O-N 2.97Å; S1739-W1743 WeakPolarHBondContact O-CB 3.11Å; S1739-W1743 PolarHBondContact O-N 3.18Å; S1739-W1743 VanDerWaalsContact O-N 3.12Å |
| 1740 | I | 88.8 | Confident | 84.6 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 176.4 | -62.2 | 154 | 0 | 0 | 0 | 110.3 | Y1648 L1667 Y1670 L1671 E1736 H1737 E1738 E1742 W1743 I1744 | Y1648-I1740 HydrophobicContact CD2-CD1 3.39Å; Y1648-I1740 HydrophobicContact CD2-CG1 4.37Å; Y1648-I1740 HydrophobicContact CE2-CD1 3.28Å; Y1648-I1740 HydrophobicContact CE2-CG1 4.04Å; L1667-I1740 HydrophobicContact CB-CG2 3.9Å; L1667-I1740 HydrophobicContact CD1-CG2 4.32Å; L1667-I1740 HydrophobicContact CD2-CG2 4Å; L1667-I1740 HydrophobicContact CG-CG2 4.29Å; Y1670-I1740 HydrophobicContact CD1-CD1 4Å; Y1670-I1740 HydrophobicContact CD1-CG2 4.05Å; Y1670-I1740 HydrophobicContact CE1-CB 4.31Å; Y1670-I1740 HydrophobicContact CE1-CD1 3.29Å; Y1670-I1740 HydrophobicContact CE1-CG1 4.41Å; Y1670-I1740 HydrophobicContact CE1-CG2 4.07Å; L1671-I1740 HydrophobicContact CD2-CG2 4.47Å; E1736-I1740 VanDerWaalsContact O-CD1 3.26Å; E1736-I1740 WeakPolarHBondContact O-CD1 3.37Å; E1736-I1740 VanDerWaalsContact O-CG1 3.23Å; E1736-I1740 WeakPolarHBondContact O-CG1 3.43Å; E1736-I1740 PolarHBondContact O-N 2.91Å; E1736-I1740 VanDerWaalsContact O-N 3.12Å; H1737-I1740 PolarHBondContact O-N 2.94Å; E1738-I1740 VanDerWaalsContact C-N 3.34Å; E1738-I1740 PolarHBondContact O-N 3.24Å; I1740-E1742 PolarHBondContact O-N 2.89Å; I1740-W1743 PolarHBondContact O-N 2.98Å; I1740-W1743 VanDerWaalsContact O-N 3.16Å; I1740-I1744 HydrophobicContact CG2-CD1 3.86Å; I1740-I1744 HydrophobicContact CG2-CG1 4.4Å; I1740-I1744 WeakPolarHBondContact O-CG1 3.12Å; I1740-I1744 PolarHBondContact O-N 3Å |
| 1741 | R | 89 | Confident | 83.9 | Confident | 121 Ų | 121 | 79.8 Ų | 79.8 | 46% | 0.457 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 177.7 | -170.1 | -177.5 | -174.8 | 108.3 | 6.2 | 111.1 | L1671 H1737 E1738 W1743 I1744 L1745 | L1671-R1741 HydrophobicContact CD2-CB 4.5Å; H1737-R1741 PolarHBondContact O-N 3.09Å; E1738-R1741 WeakPolarHBondContact O-CB 3.42Å; E1738-R1741 PolarHBondContact O-N 2.88Å; R1741-W1743 VanDerWaalsContact C-N 3.32Å; R1741-W1743 PolarHBondContact O-N 3.33Å; R1741-I1744 PolarHBondContact O-N 2.95Å; R1741-L1745 HydrophobicContact CG-CD1 4.33Å; R1741-L1745 WeakPolarHBondContact O-CB 3.49Å; R1741-L1745 VanDerWaalsContact O-CG 3.27Å; R1741-L1745 WeakPolarHBondContact O-CG 3.44Å; R1741-L1745 PolarHBondContact O-N 2.91Å |
| 1742 | E | 88.5 | Confident | 83.3 | Confident | 134 Ų | 134 | 87.4 Ų | 87.4 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.2 | -40.8 | 174.9 | -74.6 | -177.4 | 172.2 | 0 | 0 | 112.3 | E1738 I1740 T1746 | E1738-E1742 WeakPolarHBondContact O-CG 3.37Å; E1738-E1742 PolarHBondContact O-N 3.47Å; I1740-E1742 PolarHBondContact O-N 2.89Å; E1742-T1746 WeakPolarHBondContact O-CB 3.48Å; E1742-T1746 PolarHBondContact O-N 3.35Å; E1742-T1746 PolarHBondContact O-OG1 3.4Å |
| 1743 | W | 88.7 | Confident | 82.5 | Confident | 31 Ų | 31 | 88.6 Ų | 88.6 | 12% | 0.117 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 179.2 | -178.2 | 78.1 | 0 | 0 | 0 | 112.8 | R1655 A1663 L1667 S1739 I1740 R1741 T1746 I1747 | R1655-W1743 HydrophobicContact CB-CZ2 4.35Å; R1655-W1743 HydrophobicContact CG-CZ2 3.79Å; R1655-W1743 VanDerWaalsContact CZ-CG 3.41Å; A1663-W1743 HydrophobicContact CB-CH2 3.65Å; A1663-W1743 HydrophobicContact CB-CZ2 4.37Å; A1663-W1743 HydrophobicContact CB-CZ3 4.46Å; L1667-W1743 HydrophobicContact CB-CZ3 4.45Å; L1667-W1743 HydrophobicContact CD1-CE3 3.7Å; L1667-W1743 HydrophobicContact CD1-CH2 4.15Å; L1667-W1743 HydrophobicContact CD1-CZ3 3.48Å; L1667-W1743 VanDerWaalsContact CD1-CZ3 3.48Å; S1739-W1743 WeakPolarHBondContact O-CB 3.11Å; S1739-W1743 PolarHBondContact O-N 3.18Å; S1739-W1743 VanDerWaalsContact O-N 3.12Å; I1740-W1743 PolarHBondContact O-N 2.98Å; I1740-W1743 VanDerWaalsContact O-N 3.16Å; R1741-W1743 VanDerWaalsContact C-N 3.32Å; R1741-W1743 PolarHBondContact O-N 3.33Å; W1743-T1746 PolarHBondContact O-N 2.82Å; W1743-I1747 HydrophobicContact CD2-CD1 3.87Å; W1743-I1747 HydrophobicContact CD2-CG1 4.42Å; W1743-I1747 HydrophobicContact CE3-CD1 4.27Å; W1743-I1747 HydrophobicContact CH2-CD1 3.5Å; W1743-I1747 HydrophobicContact CZ2-CD1 3.03Å; W1743-I1747 HydrophobicContact CZ2-CG1 4.31Å; W1743-I1747 HydrophobicContact CZ3-CD1 4.08Å; W1743-I1747 PolarHBondContact O-N 3.36Å |
| 1744 | I | 85.9 | Confident | 81.7 | Confident | 13 Ų | 13 | 91 Ų | 91 | 7% | 0.067 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 175.9 | -70.5 | 171.2 | 0 | 0 | 0 | 110.4 | F1664 L1667 L1671 I1740 R1741 T1746 I1747 S1748 | F1664-I1744 HydrophobicContact CE2-CG2 4.03Å; L1667-I1744 VanDerWaalsContact C-CD1 3.47Å; L1667-I1744 HydrophobicContact CB-CD1 3.79Å; L1667-I1744 HydrophobicContact CB-CG1 4.27Å; L1667-I1744 WeakPolarHBondContact O-CD1 3.05Å; L1671-I1744 HydrophobicContact CD1-CD1 3.42Å; L1671-I1744 VanDerWaalsContact CD1-CD1 3.42Å; L1671-I1744 HydrophobicContact CG-CD1 3.83Å; I1740-I1744 HydrophobicContact CG2-CD1 3.86Å; I1740-I1744 HydrophobicContact CG2-CG1 4.4Å; I1740-I1744 WeakPolarHBondContact O-CG1 3.12Å; I1740-I1744 PolarHBondContact O-N 3Å; R1741-I1744 PolarHBondContact O-N 2.95Å; I1744-T1746 VanDerWaalsContact C-N 3.31Å; I1744-T1746 PolarHBondContact O-N 3.48Å; I1744-I1747 PolarHBondContact O-N 3.2Å; I1744-S1748 WeakPolarHBondContact O-CB 3.18Å; I1744-S1748 PolarHBondContact O-N 3.21Å; I1744-S1748 PolarHBondContact O-OG 3.03Å |
| 1745 | L | 85.6 | Confident | 81.2 | Confident | 104 Ų | 104 | 91.1 Ų | 91.1 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 175.5 | -72.8 | 169.7 | 0 | 0 | 0 | 111.3 | R1741 S1748 | R1741-L1745 HydrophobicContact CG-CD1 4.33Å; R1741-L1745 WeakPolarHBondContact O-CB 3.49Å; R1741-L1745 VanDerWaalsContact O-CG 3.27Å; R1741-L1745 WeakPolarHBondContact O-CG 3.44Å; R1741-L1745 PolarHBondContact O-N 2.91Å; L1745-S1748 PolarHBondContact O-OG 2.86Å |
| 1746 | T | 84.2 | Confident | 80.6 | Confident | 100 Ų | 100 | 87 Ų | 87 | 61% | 0.613 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 178.6 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | E1742 W1743 I1744 | E1742-T1746 WeakPolarHBondContact O-CB 3.48Å; E1742-T1746 PolarHBondContact O-N 3.35Å; E1742-T1746 PolarHBondContact O-OG1 3.4Å; W1743-T1746 PolarHBondContact O-N 2.82Å; I1744-T1746 VanDerWaalsContact C-N 3.31Å; I1744-T1746 PolarHBondContact O-N 3.48Å |
| 1747 | I | 81.4 | Confident | 80.3 | Confident | 23 Ų | 23 | 84.7 Ų | 84.7 | 12% | 0.118 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -75.8 | -32.9 | -178.6 | -74 | -166.9 | 0 | 0 | 0 | 112.9 | F1664 W1743 I1744 M1749 D1750 L1753 | F1664-I1747 HydrophobicContact CD2-CB 4.4Å; F1664-I1747 HydrophobicContact CD2-CG2 3.69Å; F1664-I1747 HydrophobicContact CE2-CG2 4.25Å; W1743-I1747 HydrophobicContact CD2-CD1 3.87Å; W1743-I1747 HydrophobicContact CD2-CG1 4.42Å; W1743-I1747 HydrophobicContact CE3-CD1 4.27Å; W1743-I1747 HydrophobicContact CH2-CD1 3.5Å; W1743-I1747 HydrophobicContact CZ2-CD1 3.03Å; W1743-I1747 HydrophobicContact CZ2-CG1 4.31Å; W1743-I1747 HydrophobicContact CZ3-CD1 4.08Å; W1743-I1747 PolarHBondContact O-N 3.36Å; I1744-I1747 PolarHBondContact O-N 3.2Å; I1747-M1749 PolarHBondContact O-N 3.16Å; I1747-D1750 PolarHBondContact O-N 2.95Å; I1747-L1753 HydrophobicContact CG2-CD1 3.74Å; I1747-L1753 HydrophobicContact CG2-CD2 4.26Å; I1747-L1753 HydrophobicContact CG2-CG 4.42Å |
| 1748 | S | 76.3 | Confident | 80.1 | Confident | 59 Ų | 59 | 85.6 Ų | 85.6 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.7 | -20 | 177.4 | 70.8 | 0 | 0 | 0 | 0 | 113.4 | I1744 L1745 | I1744-S1748 WeakPolarHBondContact O-CB 3.18Å; I1744-S1748 PolarHBondContact O-N 3.21Å; I1744-S1748 PolarHBondContact O-OG 3.03Å; L1745-S1748 PolarHBondContact O-OG 2.86Å |
| 1749 | M | 76.5 | Confident | 79.8 | Confident | 155 Ų | 155 | 85 Ų | 85 | 76% | 0.764 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -10.9 | 174.5 | -61.8 | -169.8 | 72.1 | 0 | 0 | 114.1 | I1747 H1751 | I1747-M1749 PolarHBondContact O-N 3.16Å; M1749-H1751 PolarHBondContact O-N 3.37Å |
| 1750 | D | 74.5 | Confident | 79.4 | Confident | 84 Ų | 84 | 83.3 Ų | 83.3 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | trans | -89 | 103.5 | -179.9 | -166.5 | -7.5 | 0 | 0 | 0 | 111.1 | I1747 K1752 L1753 | I1747-D1750 PolarHBondContact O-N 2.95Å; D1750-K1752 PolarHBondContact O-N 3.37Å; D1750-K1752 WeakPolarHBondContact OD1-CB 3.41Å; D1750-K1752 PolarHBondContact OD1-N 3.28Å; D1750-K1752 VanDerWaalsContact OD1-N 3.16Å; D1750-L1753 PolarHBondContact O-N 2.88Å | ||
| 1751 | H | 68.8 | Low | 78.8 | Confident | 192 Ų | 192 | 89.6 Ų | 89.6 | 89% | 0.889 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -6.9 | 178.3 | -65.9 | -58.8 | 0 | 0 | 0 | 114.6 | M1749 | M1749-H1751 PolarHBondContact O-N 3.37Š|
| 1752 | K | 71.7 | Confident | 78.3 | Confident | 186 Ų | 186 | 86.2 Ų | 86.2 | 81% | 0.809 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -12 | 179.6 | -66.3 | -179.7 | 178.6 | 176.4 | 0 | 114.4 | D1750 | D1750-K1752 PolarHBondContact O-N 3.37Å; D1750-K1752 WeakPolarHBondContact OD1-CB 3.41Å; D1750-K1752 PolarHBondContact OD1-N 3.28Å; D1750-K1752 VanDerWaalsContact OD1-N 3.16Å |
| 1753 | L | 65.8 | Low | 77.6 | Confident | 27 Ų | 27 | 81.7 Ų | 81.7 | 14% | 0.141 | 42% | 0.421 | C | S | . | . | trans | -97.4 | 112.9 | -171.7 | -163.1 | 138.8 | 0 | 0 | 0 | 111.5 | N1660 N1661 F1664 I1747 D1750 Q1755 | N1660-L1753 HydrophobicContact CB-CD1 3.57Å; N1661-L1753 WeakPolarHBondContact OD1-CG 3.39Å; F1664-L1753 HydrophobicContact CB-CD2 4.04Å; F1664-L1753 HydrophobicContact CG-CD2 4.21Å; I1747-L1753 HydrophobicContact CG2-CD1 3.74Å; I1747-L1753 HydrophobicContact CG2-CD2 4.26Å; I1747-L1753 HydrophobicContact CG2-CG 4.42Å; D1750-L1753 PolarHBondContact O-N 2.88Å; L1753-Q1755 PolarHBondContact O-N 2.89Å | ||
| 1754 | D | 69.1 | Low | 77.1 | Confident | 112 Ų | 112 | 80.3 Ų | 80.3 | 60% | 0.599 | 42% | 0.416 | S | S | * | . | trans | -70 | 117 | 174.6 | -73.2 | -29.3 | 0 | 0 | 0 | 110.1 | N1661 T1756 | N1661-D1754 PolarHBondContact ND2-O 3.45Å; D1754-T1756 PolarHBondContact O-N 3.46Å | ||
| 1755 | Q | 74.1 | Confident | 76.9 | Confident | 124 Ų | 124 | 80 Ų | 80 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | trans | -77.5 | 46.3 | 179.5 | -59.1 | 175.7 | 5.8 | 0 | 0 | 111.7 | F1664 L1753 | F1664-Q1755 HydrophobicContact CD1-CG 4.28Å; F1664-Q1755 HydrophobicContact CE1-CB 4.34Å; F1664-Q1755 HydrophobicContact CE1-CG 3.86Å; F1664-Q1755 HydrophobicContact CZ-CG 4.48Å; L1753-Q1755 PolarHBondContact O-N 2.89Å | ||
| 1756 | T | 74 | Confident | 76.9 | Confident | 87 Ų | 87 | 77.6 Ų | 77.6 | 53% | 0.534 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -133.6 | 145.8 | -177.3 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | D1754 | D1754-T1756 PolarHBondContact O-N 3.46Š|
| 1757 | L | 80.5 | Confident | 77 | Confident | 22 Ų | 22 | 72.9 Ų | 72.9 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | trans | -71.4 | 132.8 | 171.7 | -68.5 | 174.9 | 0 | 0 | 0 | 109.9 | M1662 V1665 F1666 F1692 Y1765 | M1662-L1757 HydrophobicContact CG-CD2 4.42Å; V1665-L1757 HydrophobicContact CB-CD2 4.05Å; V1665-L1757 HydrophobicContact CG1-CD2 3.91Å; V1665-L1757 HydrophobicContact CG1-CG 4.16Å; V1665-L1757 HydrophobicContact CG2-CD2 4.26Å; F1666-L1757 HydrophobicContact CE1-CD2 3.92Å; F1666-L1757 HydrophobicContact CZ-CD2 4.03Å; F1692-L1757 HydrophobicContact CD1-CD1 3.59Å; F1692-L1757 HydrophobicContact CE1-CD1 3.77Å; L1757-Y1765 HydrophobicContact CB-CD2 3.81Å; L1757-Y1765 HydrophobicContact CB-CE2 4.28Å; L1757-Y1765 HydrophobicContact CD1-CD2 4.11Å; L1757-Y1765 HydrophobicContact CD1-CE2 4.39Å; L1757-Y1765 HydrophobicContact CD1-CG 4.35Å; L1757-Y1765 HydrophobicContact CD2-CD2 4.36Å; L1757-Y1765 HydrophobicContact CD2-CE2 4.02Å; L1757-Y1765 HydrophobicContact CG-CD2 4.33Å; L1757-Y1765 HydrophobicContact CG-CE2 4.47Å | ||
| 1758 | P | 83.2 | Confident | 77.1 | Confident | 44 Ų | 44 | 71.8 Ų | 71.8 | 29% | 0.286 | 37% | 0.366 | S | S | . | . | trans | -70.4 | 149.4 | -179.7 | 31.4 | -36.5 | 0 | 0 | 0 | 110.8 | M1662 I1766 | M1662-P1758 HydrophobicContact CE-CG 3.23Å; M1662-P1758 HydrophobicContact CG-CG 4.08Å; M1662-P1758 HydrophobicContact SD-CG 4.42Å; P1758-I1766 HydrophobicContact CB-CD1 3.7Å; P1758-I1766 HydrophobicContact CB-CG1 4.45Å; P1758-I1766 HydrophobicContact CG-CD1 3.78Å; P1758-I1766 HydrophobicContact CG-CG1 4.48Å; P1758-I1766 WeakPolarHBondContact O-CG1 3.19Å; P1758-I1766 PolarHBondContact O-N 3.31Å | ||
| 1759 | K | 80.6 | Confident | 77.5 | Confident | 106 Ų | 106 | 70.2 Ų | 70.2 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -109.3 | 147.7 | -175.1 | -61.9 | 173.3 | -175.7 | 171.7 | 0 | 111.3 | V1764 | K1759-V1764 CarbonylContact C-O 3.55Å; K1759-V1764 WeakPolarHBondContact CA-O 3.41Å |
| 1760 | D | 79.3 | Confident | 77.6 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | trans | -87.6 | -173.9 | 173.3 | 68.9 | 4.3 | 0 | 0 | 0 | 112.6 | R1762 G1763 V1764 I1766 L1789 | D1760-R1762 PolarHBondContact O-N 3.2Å; D1760-R1762 VanDerWaalsContact O-N 3.13Å; D1760-R1762 WeakPolarHBondContact OD1-CA 3.03Å; D1760-R1762 VanDerWaalsContact OD1-CB 3.28Å; D1760-R1762 WeakPolarHBondContact OD1-CB 3.17Å; D1760-R1762 PolarHBondContact OD1-N 3.28Å; D1760-R1762 IonicContact OD1-NE 3.42Å; D1760-R1762 IonicContact OD2-CZ 2.67Å; D1760-R1762 IonicContact OD2-NE 2.72Å; D1760-R1762 PolarHBondContact OD2-NE 2.81Å; D1760-R1762 IonicContact OD2-NH2 2.6Å; D1760-R1762 PolarHBondContact OD2-NH2 3.49Å; D1760-G1763 PolarHBondContact O-N 2.92Å; D1760-G1763 PolarHBondContact OD1-N 3.4Å; D1760-V1764 PolarHBondContact N-O 3.28Å; D1760-V1764 PolarHBondContact OD1-N 3.44Å; D1760-V1764 VanDerWaalsContact OD1-O 3.11Å; D1760-I1766 HydrophobicContact CB-CG1 4.13Å; D1760-L1789 HydrophobicContact CB-CD1 4.35Å | ||
| 1761 | E | 78.1 | Confident | 77.3 | Confident | 134 Ų | 134 | 62.7 Ų | 62.7 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.5 | 176.8 | -56.5 | -178.9 | 164.3 | 0 | 0 | 113.8 | G1763 R1790 | E1761-G1763 VanDerWaalsContact C-N 3.31Å; E1761-R1790 IonicContact OE1-CZ 3.97Å; E1761-R1790 IonicContact OE1-NE 2.96Å; E1761-R1790 IonicContact OE1-NH2 2.71Å; E1761-R1790 PolarHBondContact OE1-NH2 3.39Å; E1761-R1790 IonicContact OE2-CZ 3.86Å; E1761-R1790 IonicContact OE2-NE 3.93Å; E1761-R1790 PolarHBondContact OE2-NE 3.08Å; E1761-R1790 IonicContact OE2-NH2 2.73Å; E1761-R1790 PolarHBondContact OE2-NH2 3.17Å |
| 1762 | R | 78 | Confident | 76.9 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.6 | 175.7 | -56.7 | 173.9 | -67.7 | 169.3 | 5.4 | 111.8 | D1760 V1764 S1768 L1769 S1778 L1789 | D1760-R1762 PolarHBondContact O-N 3.2Å; D1760-R1762 VanDerWaalsContact O-N 3.13Å; D1760-R1762 WeakPolarHBondContact OD1-CA 3.03Å; D1760-R1762 VanDerWaalsContact OD1-CB 3.28Å; D1760-R1762 WeakPolarHBondContact OD1-CB 3.17Å; D1760-R1762 PolarHBondContact OD1-N 3.28Å; D1760-R1762 IonicContact OD1-NE 3.42Å; D1760-R1762 IonicContact OD2-CZ 2.67Å; D1760-R1762 IonicContact OD2-NE 2.72Å; D1760-R1762 PolarHBondContact OD2-NE 2.81Å; D1760-R1762 IonicContact OD2-NH2 2.6Å; D1760-R1762 PolarHBondContact OD2-NH2 3.49Å; R1762-V1764 VanDerWaalsContact C-N 3.34Å; R1762-V1764 HydrophobicContact CB-CG2 4.31Å; R1762-S1768 PolarHBondContact NH2-O 3.38Å; R1762-L1769 PolarHBondContact NH1-O 3.39Å; R1762-S1778 PolarHBondContact NH1-OG 2.89Å; R1762-L1789 HydrophobicContact CG-CD2 4.48Å |
| 1763 | G | 72.6 | Confident | 76.4 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 78.1 | 18.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1760 E1761 | D1760-G1763 PolarHBondContact O-N 2.92Å; D1760-G1763 PolarHBondContact OD1-N 3.4Å; E1761-G1763 VanDerWaalsContact C-N 3.31Å |
| 1764 | V | 78 | Confident | 76.3 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -118.4 | 159.6 | -175.9 | -171 | 0 | 0 | 0 | 0 | 108.9 | G1717 K1759 D1760 R1762 I1766 | G1717-V1764 WeakPolarHBondContact O-CG1 3.48Å; K1759-V1764 CarbonylContact C-O 3.55Å; K1759-V1764 WeakPolarHBondContact CA-O 3.41Å; D1760-V1764 PolarHBondContact N-O 3.28Å; D1760-V1764 PolarHBondContact OD1-N 3.44Å; D1760-V1764 VanDerWaalsContact OD1-O 3.11Å; R1762-V1764 VanDerWaalsContact C-N 3.34Å; R1762-V1764 HydrophobicContact CB-CG2 4.31Å; V1764-I1766 PolarHBondContact O-N 3.27Å |
| 1765 | Y | 83.1 | Confident | 76 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -48.1 | 130.7 | 175.8 | 171.4 | -127.6 | 0 | 0 | 0 | 111.7 | V1632 M1662 F1666 G1717 I1720 L1757 A1767 S1768 | V1632-Y1765 WeakPolarHBondContact CG1-OH 3.43Å; M1662-Y1765 HydrophobicContact SD-CE2 4.42Å; F1666-Y1765 VanDerWaalsContact CZ-OH 3.32Å; F1666-Y1765 WeakPolarHBondContact CZ-OH 3.21Å; G1717-Y1765 WeakPolarHBondContact O-CB 3.48Å; G1717-Y1765 PolarHBondContact O-N 3.01Å; I1720-Y1765 HydrophobicContact CD1-CE1 3.94Å; L1757-Y1765 HydrophobicContact CB-CD2 3.81Å; L1757-Y1765 HydrophobicContact CB-CE2 4.28Å; L1757-Y1765 HydrophobicContact CD1-CD2 4.11Å; L1757-Y1765 HydrophobicContact CD1-CE2 4.39Å; L1757-Y1765 HydrophobicContact CD1-CG 4.35Å; L1757-Y1765 HydrophobicContact CD2-CD2 4.36Å; L1757-Y1765 HydrophobicContact CD2-CE2 4.02Å; L1757-Y1765 HydrophobicContact CG-CD2 4.33Å; L1757-Y1765 HydrophobicContact CG-CE2 4.47Å; Y1765-A1767 HydrophobicContact CD1-CB 4.29Å; Y1765-A1767 HydrophobicContact CE1-CB 3.58Å; Y1765-A1767 PolarHBondContact O-N 2.73Å; Y1765-S1768 WeakPolarHBondContact O-CB 3.11Å; Y1765-S1768 PolarHBondContact O-N 3.43Å |
| 1766 | I | 85.2 | Confident | 75.7 | Confident | 53 Ų | 53 | 52.6 Ų | 52.6 | 27% | 0.272 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -33.8 | -168 | -65.2 | 172.2 | 0 | 0 | 0 | 113.9 | P1758 D1760 V1764 S1768 Y1786 P1787 | P1758-I1766 HydrophobicContact CB-CD1 3.7Å; P1758-I1766 HydrophobicContact CB-CG1 4.45Å; P1758-I1766 HydrophobicContact CG-CD1 3.78Å; P1758-I1766 HydrophobicContact CG-CG1 4.48Å; P1758-I1766 WeakPolarHBondContact O-CG1 3.19Å; P1758-I1766 PolarHBondContact O-N 3.31Å; D1760-I1766 HydrophobicContact CB-CG1 4.13Å; V1764-I1766 PolarHBondContact O-N 3.27Å; I1766-S1768 VanDerWaalsContact C-N 3.34Å; I1766-Y1786 HydrophobicContact CG2-CD1 4.03Å; I1766-Y1786 HydrophobicContact CG2-CE1 3.66Å; I1766-P1787 WeakPolarHBondContact O-CD 3.49Å; I1766-P1787 VanDerWaalsContact O-CG 3.31Å; I1766-P1787 WeakPolarHBondContact O-CG 3.43Å |
| 1767 | A | 85.3 | Confident | 75.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 1.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1632 R1636 Y1765 Y1786 | V1632-A1767 HydrophobicContact CG1-CB 3.71Å; R1636-A1767 PolarHBondContact NH1-O 2.91Å; Y1765-A1767 HydrophobicContact CD1-CB 4.29Å; Y1765-A1767 HydrophobicContact CE1-CB 3.58Å; Y1765-A1767 PolarHBondContact O-N 2.73Å; A1767-Y1786 HydrophobicContact CB-CD2 4.28Å; A1767-Y1786 HydrophobicContact CB-CE1 4.32Å; A1767-Y1786 HydrophobicContact CB-CE2 3.85Å |
| 1768 | S | 84.6 | Confident | 76 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -74.7 | 134.5 | -177.9 | -166.8 | 0 | 0 | 0 | 0 | 112.1 | D1719 R1762 Y1765 I1766 N1770 P1787 | D1719-S1768 WeakPolarHBondContact CB-OG 3.37Å; D1719-S1768 VanDerWaalsContact CG-OG 3.28Å; D1719-S1768 PolarHBondContact N-OG 3.32Å; D1719-S1768 VanDerWaalsContact OD1-CA 3.3Å; D1719-S1768 WeakPolarHBondContact OD1-CA 3.41Å; D1719-S1768 PolarHBondContact OD1-OG 3.41Å; D1719-S1768 WeakPolarHBondContact OD2-CA 3.38Å; R1762-S1768 PolarHBondContact NH2-O 3.38Å; Y1765-S1768 WeakPolarHBondContact O-CB 3.11Å; Y1765-S1768 PolarHBondContact O-N 3.43Å; I1766-S1768 VanDerWaalsContact C-N 3.34Å; S1768-N1770 PolarHBondContact OG-O 3.1Å; S1768-P1787 WeakPolarHBondContact O-CG 3.2Å | ||
| 1769 | L | 84.4 | Confident | 76.1 | Confident | 26 Ų | 26 | 56.3 Ų | 56.3 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -83.1 | -24.7 | 173.8 | -59.4 | 178.6 | 0 | 0 | 0 | 111.6 | D1719 R1762 S1778 P1780 P1787 | D1719-L1769 PolarHBondContact OD2-N 2.73Å; R1762-L1769 PolarHBondContact NH1-O 3.39Å; L1769-S1778 PolarHBondContact O-N 2.92Å; L1769-P1780 HydrophobicContact CD1-CB 3.9Å; L1769-P1780 HydrophobicContact CD1-CG 4.26Å; L1769-P1780 HydrophobicContact CD2-CB 3.96Å; L1769-P1787 HydrophobicContact CD2-CB 4.03Å |
| 1770 | N | 78.9 | Confident | 76.5 | Confident | 79 Ų | 79 | 53 Ų | 53 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -103.3 | 125 | -173.2 | -66.9 | 0.4 | 0 | 0 | 0 | 111.2 | S1768 L1777 | S1768-N1770 PolarHBondContact OG-O 3.1Å; N1770-L1777 WeakPolarHBondContact OD1-CD2 3.48Å; N1770-L1777 WeakPolarHBondContact OD1-CG 3.43Å |
| 1771 | S | 68.1 | Low | 77.1 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -91.1 | 106.2 | 169.5 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | N1773 T1774 G1775 L1776 | S1771-N1773 PolarHBondContact O-N 2.89Å; S1771-N1773 VanDerWaalsContact O-N 3.15Å; S1771-T1774 WeakPolarHBondContact CB-OG1 3.49Å; S1771-T1774 PolarHBondContact O-N 3.23Å; S1771-T1774 PolarHBondContact OG-N 3.1Å; S1771-T1774 PolarHBondContact OG-OG1 3.05Å; S1771-G1775 WeakPolarHBondContact O-CA 3.39Å; S1771-G1775 PolarHBondContact O-N 3.23Å; S1771-L1776 PolarHBondContact N-O 3.18Å; S1771-L1776 VanDerWaalsContact N-O 3.1Å | ||
| 1772 | S | 61.3 | Low | 77.7 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.3 | 176.8 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1773 | N | 60.4 | Low | 78.3 | Confident | 120 Ų | 120 | 43.3 Ų | 43.3 | 64% | 0.642 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -24.7 | -177.2 | -63.1 | -11.8 | 0 | 0 | 0 | 113.5 | S1771 | S1771-N1773 PolarHBondContact O-N 2.89Å; S1771-N1773 VanDerWaalsContact O-N 3.15Å |
| 1774 | T | 63.6 | Low | 79.2 | Confident | 87 Ų | 87 | 41.5 Ų | 41.5 | 53% | 0.534 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -9.9 | -173.8 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | S1771 L1776 | S1771-T1774 WeakPolarHBondContact CB-OG1 3.49Å; S1771-T1774 PolarHBondContact O-N 3.23Å; S1771-T1774 PolarHBondContact OG-N 3.1Å; S1771-T1774 PolarHBondContact OG-OG1 3.05Å; T1774-L1776 PolarHBondContact O-N 3.41Å; T1774-L1776 VanDerWaalsContact O-N 3.13Å |
| 1775 | G | 63.2 | Low | 79.7 | Confident | 61 Ų | 61 | 41.4 Ų | 41.4 | 63% | 0.629 | 24% | 0.243 | S | C | * | . | trans | 68.1 | 2.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1771 | S1771-G1775 WeakPolarHBondContact O-CA 3.39Å; S1771-G1775 PolarHBondContact O-N 3.23Å | ||
| 1776 | L | 68 | Low | 80.1 | Confident | 117 Ų | 117 | 41.8 Ų | 41.8 | 61% | 0.613 | 25% | 0.245 | S | C | * | . | trans | -75.9 | 127.8 | 179.1 | -79.7 | 152.3 | 0 | 0 | 0 | 110.4 | S1771 T1774 | S1771-L1776 PolarHBondContact N-O 3.18Å; S1771-L1776 VanDerWaalsContact N-O 3.1Å; T1774-L1776 PolarHBondContact O-N 3.41Å; T1774-L1776 VanDerWaalsContact O-N 3.13Å | ||
| 1777 | L | 77.9 | Confident | 80.2 | Confident | 134 Ų | 134 | 39.6 Ų | 39.6 | 70% | 0.702 | 23% | 0.234 | S | C | * | . | B | Isolated β-bridge | trans | -93.8 | 115.7 | 170.9 | -88.8 | 137.1 | 0 | 0 | 0 | 109.2 | N1770 | N1770-L1777 WeakPolarHBondContact OD1-CD2 3.48Å; N1770-L1777 WeakPolarHBondContact OD1-CG 3.43Å |
| 1778 | S | 82.1 | Confident | 80.3 | Confident | 22 Ų | 22 | 40.3 Ų | 40.3 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 144.7 | 173 | -65 | 0 | 0 | 0 | 0 | 111 | R1762 L1769 | R1762-S1778 PolarHBondContact NH1-OG 2.89Å; L1769-S1778 PolarHBondContact O-N 2.92Å |
| 1779 | L | 84.9 | Confident | 80.2 | Confident | 75 Ų | 75 | 43.5 Ų | 43.5 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 135.5 | 175.1 | -71 | 172.6 | 0 | 0 | 0 | 110.3 | I1788 L1794 | L1779-I1788 HydrophobicContact CB-CD1 4.03Å; L1779-I1788 WeakPolarHBondContact O-CG1 3.41Å; L1779-I1788 PolarHBondContact O-N 3.44Å; L1779-L1794 HydrophobicContact CD1-CD2 4.21Å |
| 1780 | P | 89.1 | Confident | 80 | Confident | 38 Ų | 38 | 50 Ų | 50 | 25% | 0.247 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -73.2 | 133.8 | 173.7 | 28.5 | -32.3 | 0 | 0 | 0 | 110.6 | L1769 I1782 | L1769-P1780 HydrophobicContact CD1-CB 3.9Å; L1769-P1780 HydrophobicContact CD1-CG 4.26Å; L1769-P1780 HydrophobicContact CD2-CB 3.96Å; P1780-I1782 PolarHBondContact O-N 3.23Å |
| 1781 | C | 91.6 | Very high | 79.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -61.5 | 125.7 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | Y1609 I1783 T1784 G1785 Y1786 I1788 I1803 | Y1609-C1781 PolarHBondContact OH-O 2.92Å; C1781-I1783 PolarHBondContact O-N 3.19Å; C1781-T1784 PolarHBondContact O-N 3Å; C1781-G1785 WeakPolarHBondContact O-CA 3.11Å; C1781-G1785 PolarHBondContact O-N 2.92Å; C1781-Y1786 VanDerWaalsContact CB-O 3.29Å; C1781-Y1786 WeakPolarHBondContact CB-O 3.31Å; C1781-Y1786 PolarHBondContact N-O 2.99Å; C1781-I1788 HydrophobicContact CB-CG1 4.3Å; C1781-I1803 HydrophobicContact CB-CD1 4.04Å; C1781-I1803 HydrophobicContact CB-CG1 4Å; C1781-I1803 PolarHBondContact SG-N 3.44Å |
| 1782 | I | 91.1 | Very high | 80.5 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.9 | 176.2 | -75.2 | 155.9 | 0 | 0 | 0 | 112.1 | H1608 Y1609 P1780 F1795 K1800 G1801 I1829 C1833 | H1608-I1782 WeakPolarHBondContact NE2-CG2 2.89Å; H1608-I1782 PolarHBondContact NE2-O 3.08Å; Y1609-I1782 VanDerWaalsContact CE1-O 3.26Å; Y1609-I1782 WeakPolarHBondContact CE1-O 3.39Å; P1780-I1782 PolarHBondContact O-N 3.23Å; I1782-F1795 HydrophobicContact CD1-CD2 3.62Å; I1782-F1795 HydrophobicContact CD1-CE2 3.83Å; I1782-F1795 HydrophobicContact CD1-CG 4.46Å; I1782-K1800 HydrophobicContact CD1-CB 3.34Å; I1782-K1800 HydrophobicContact CD1-CD 4.15Å; I1782-K1800 HydrophobicContact CD1-CG 4.4Å; I1782-K1800 HydrophobicContact CG1-CB 3.99Å; I1782-K1800 HydrophobicContact CG1-CD 4.34Å; I1782-G1801 WeakPolarHBondContact CG1-O 3.29Å; I1782-G1801 PolarHBondContact N-O 3.47Å; I1782-I1829 HydrophobicContact CG2-CD1 3.86Å; I1782-I1829 HydrophobicContact CG2-CG1 3.9Å; I1782-I1829 HydrophobicContact CG2-CG2 4.27Å; I1782-C1833 HydrophobicContact CD1-CB 4.11Å; I1782-C1833 VanDerWaalsContact CD1-SG 3.52Å |
| 1783 | I | 90.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -51.5 | 180 | -62.1 | 172.2 | 0 | 0 | 0 | 112.1 | I1612 I1626 I1630 C1781 A1802 W1807 F1810 | I1612-I1783 HydrophobicContact CD1-CB 4.2Å; I1612-I1783 HydrophobicContact CD1-CG1 4.2Å; I1612-I1783 HydrophobicContact CD1-CG2 3.84Å; I1626-I1783 HydrophobicContact CG2-CG2 4.07Å; I1630-I1783 VanDerWaalsContact CG1-O 3.28Å; I1630-I1783 WeakPolarHBondContact CG1-O 3.26Å; C1781-I1783 PolarHBondContact O-N 3.19Å; I1783-A1802 HydrophobicContact CD1-CB 4.5Å; I1783-W1807 HydrophobicContact CD1-CB 3.97Å; I1783-W1807 HydrophobicContact CD1-CD2 4.32Å; I1783-W1807 HydrophobicContact CD1-CE3 3.54Å; I1783-W1807 HydrophobicContact CD1-CZ3 4.38Å; I1783-W1807 HydrophobicContact CG1-CE3 4.24Å; I1783-F1810 HydrophobicContact CD1-CB 3.65Å; I1783-F1810 HydrophobicContact CD1-CD1 4.21Å; I1783-F1810 HydrophobicContact CD1-CG 4.07Å; I1783-F1810 HydrophobicContact CG2-CB 4.47Å |
| 1784 | T | 90.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -11.1 | -166.3 | 65.9 | 0 | 0 | 0 | 0 | 114.7 | I1626 Q1629 S1633 C1781 Y1786 N1806 | I1626-T1784 HydrophobicContact CG2-CG2 3.89Å; Q1629-T1784 CarbonylContact C-O 3.58Å; Q1629-T1784 HydrophobicContact CB-CG2 4.5Å; S1633-T1784 WeakPolarHBondContact CB-O 3.41Å; S1633-T1784 PolarHBondContact OG-O 2.89Å; C1781-T1784 PolarHBondContact O-N 3Å; T1784-Y1786 PolarHBondContact O-N 3.39Å; T1784-Y1786 VanDerWaalsContact O-N 3.14Å; T1784-Y1786 PolarHBondContact OG1-N 3.41Å; T1784-N1806 HydrophobicContact CG2-CB 3.96Å; T1784-N1806 WeakPolarHBondContact CG2-ND2 3.17Å; T1784-N1806 PolarHBondContact OG1-ND2 3.36Å |
| 1785 | G | 89.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | 70.3 | -5.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y1609 R1636 C1781 | Y1609-G1785 VanDerWaalsContact OH-CA 3.3Å; Y1609-G1785 WeakPolarHBondContact OH-CA 3.14Å; R1636-G1785 PolarHBondContact NH1-O 3.45Å; R1636-G1785 PolarHBondContact NH2-O 3.49Å; C1781-G1785 WeakPolarHBondContact O-CA 3.11Å; C1781-G1785 PolarHBondContact O-N 2.92Å | ||
| 1786 | Y | 90.7 | Very high | 84.2 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 6% | 0.059 | 22% | 0.222 | C | C | . | . | trans | -70.2 | 156.2 | 177.3 | -87.8 | -131.6 | 0 | 0 | 0 | 112 | Q1629 V1632 I1766 A1767 C1781 T1784 | Q1629-Y1786 VanDerWaalsContact CA-CE2 3.45Å; Q1629-Y1786 HydrophobicContact CB-CD2 3.71Å; Q1629-Y1786 HydrophobicContact CB-CE2 3.47Å; Q1629-Y1786 VanDerWaalsContact CB-CE2 3.47Å; Q1629-Y1786 HydrophobicContact CB-CG 4.47Å; Q1629-Y1786 HydrophobicContact CG-CD1 4.44Å; Q1629-Y1786 HydrophobicContact CG-CD2 4.07Å; Q1629-Y1786 HydrophobicContact CG-CE1 4.04Å; Q1629-Y1786 HydrophobicContact CG-CE2 3.68Å; Q1629-Y1786 HydrophobicContact CG-CG 4.44Å; Q1629-Y1786 VanDerWaalsContact O-CE2 3.26Å; Q1629-Y1786 WeakPolarHBondContact O-CE2 3.38Å; V1632-Y1786 HydrophobicContact CB-CE2 4.2Å; V1632-Y1786 HydrophobicContact CG1-CE2 4.06Å; I1766-Y1786 HydrophobicContact CG2-CD1 4.03Å; I1766-Y1786 HydrophobicContact CG2-CE1 3.66Å; A1767-Y1786 HydrophobicContact CB-CD2 4.28Å; A1767-Y1786 HydrophobicContact CB-CE1 4.32Å; A1767-Y1786 HydrophobicContact CB-CE2 3.85Å; C1781-Y1786 VanDerWaalsContact CB-O 3.29Å; C1781-Y1786 WeakPolarHBondContact CB-O 3.31Å; C1781-Y1786 PolarHBondContact N-O 2.99Å; T1784-Y1786 PolarHBondContact O-N 3.39Å; T1784-Y1786 VanDerWaalsContact O-N 3.14Å; T1784-Y1786 PolarHBondContact OG1-N 3.41Å | ||
| 1787 | P | 88.3 | Confident | 84.4 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -64.6 | 135 | 178.4 | 27.3 | -35.8 | 0 | 0 | 0 | 111.8 | I1766 S1768 L1769 L1789 | I1766-P1787 WeakPolarHBondContact O-CD 3.49Å; I1766-P1787 VanDerWaalsContact O-CG 3.31Å; I1766-P1787 WeakPolarHBondContact O-CG 3.43Å; S1768-P1787 WeakPolarHBondContact O-CG 3.2Å; L1769-P1787 HydrophobicContact CD2-CB 4.03Å; P1787-L1789 HydrophobicContact CB-CD2 4.08Å; P1787-L1789 HydrophobicContact CB-CG 4.41Å; P1787-L1789 HydrophobicContact CG-CD2 4.48Å; P1787-L1789 HydrophobicContact CG-CG 4.48Å; P1787-L1789 PolarHBondContact O-N 2.88Å |
| 1788 | I | 87.8 | Confident | 84 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | trans | -82.5 | 103.8 | 171.6 | -58.7 | 167.6 | 0 | 0 | 0 | 108.2 | L1779 C1781 G1792 I1803 I1841 | L1779-I1788 HydrophobicContact CB-CD1 4.03Å; L1779-I1788 WeakPolarHBondContact O-CG1 3.41Å; L1779-I1788 PolarHBondContact O-N 3.44Å; C1781-I1788 HydrophobicContact CB-CG1 4.3Å; I1788-G1792 VanDerWaalsContact CG2-CA 3.49Å; I1788-I1803 HydrophobicContact CG1-CG1 4Å; I1788-I1841 HydrophobicContact CG2-CD1 4.3Å | ||
| 1789 | L | 83 | Confident | 83.7 | Confident | 68 Ų | 68 | 46.6 Ų | 46.6 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | trans | -99 | -39.3 | -178.5 | -58.2 | -177.9 | 0 | 0 | 0 | 113.4 | D1760 R1762 P1787 | D1760-L1789 HydrophobicContact CB-CD1 4.35Å; R1762-L1789 HydrophobicContact CG-CD2 4.48Å; P1787-L1789 HydrophobicContact CB-CD2 4.08Å; P1787-L1789 HydrophobicContact CB-CG 4.41Å; P1787-L1789 HydrophobicContact CG-CD2 4.48Å; P1787-L1789 HydrophobicContact CG-CG 4.48Å; P1787-L1789 PolarHBondContact O-N 2.88Å | ||
| 1790 | R | 78.3 | Confident | 83.7 | Confident | 161 Ų | 161 | 45.6 Ų | 45.6 | 61% | 0.608 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -146.3 | 152.7 | -179.5 | -56.3 | -177.5 | -170.8 | -163.5 | -0.1 | 109.1 | E1761 G1792 | E1761-R1790 IonicContact OE1-CZ 3.97Å; E1761-R1790 IonicContact OE1-NE 2.96Å; E1761-R1790 IonicContact OE1-NH2 2.71Å; E1761-R1790 PolarHBondContact OE1-NH2 3.39Å; E1761-R1790 IonicContact OE2-CZ 3.86Å; E1761-R1790 IonicContact OE2-NE 3.93Å; E1761-R1790 PolarHBondContact OE2-NE 3.08Å; E1761-R1790 IonicContact OE2-NH2 2.73Å; E1761-R1790 PolarHBondContact OE2-NH2 3.17Å; R1790-G1792 PolarHBondContact O-N 2.96Å |
| 1791 | N | 77.9 | Confident | 83.5 | Confident | 89 Ų | 89 | 43.8 Ų | 43.8 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 54.4 | 50.9 | 173 | -57.2 | -3 | 0 | 0 | 0 | 111.9 | Q1804 I1841 | N1791-Q1804 HydrophobicContact CB-CB 4.4Å; N1791-Q1804 WeakPolarHBondContact O-CB 3.45Å; N1791-Q1804 PolarHBondContact O-N 3.03Å; N1791-I1841 PolarHBondContact N-O 3.39Å |
| 1792 | G | 79.7 | Confident | 83.3 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 142.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1788 R1790 I1841 | I1788-G1792 VanDerWaalsContact CG2-CA 3.49Å; R1790-G1792 PolarHBondContact O-N 2.96Å; G1792-I1841 PolarHBondContact N-O 2.9Å; G1792-I1841 PolarHBondContact O-N 3.07Å |
| 1793 | I | 84.1 | Confident | 83.2 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.5 | 167.7 | -58.9 | 172.5 | 0 | 0 | 0 | 108 | G1801 A1802 Q1804 W1807 P1836 | I1793-G1801 CarbonylContact O-C 3.6Å; I1793-G1801 WeakPolarHBondContact O-CA 3.36Å; I1793-A1802 PolarHBondContact N-O 3.25Å; I1793-A1802 PolarHBondContact O-N 2.73Å; I1793-Q1804 HydrophobicContact CD1-CB 4.1Å; I1793-Q1804 HydrophobicContact CD1-CG 4.05Å; I1793-Q1804 HydrophobicContact CG1-CB 4Å; I1793-Q1804 HydrophobicContact CG1-CG 4.23Å; I1793-W1807 HydrophobicContact CD1-CB 3.88Å; I1793-W1807 HydrophobicContact CD1-CG 3.74Å; I1793-P1836 HydrophobicContact CG2-CB 3.61Å |
| 1794 | L | 84.3 | Confident | 83 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 24% | 0.236 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 141.6 | 172.7 | -81.8 | 155 | 0 | 0 | 0 | 111.8 | L1779 T1837 I1841 | L1779-L1794 HydrophobicContact CD1-CD2 4.21Å; L1794-T1837 PolarHBondContact O-N 3.31Å; L1794-T1837 PolarHBondContact O-OG1 3.26Å; L1794-T1837 VanDerWaalsContact O-OG1 3.1Å; L1794-I1841 HydrophobicContact CD1-CD1 3.73Å; L1794-I1841 HydrophobicContact CD1-CG1 3.39Å; L1794-I1841 HydrophobicContact CD2-CD1 3.92Å; L1794-I1841 HydrophobicContact CG-CD1 3.41Å; L1794-I1841 VanDerWaalsContact CG-CD1 3.41Å; L1794-I1841 HydrophobicContact CG-CG1 3.61Å |
| 1795 | F | 83.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 120.4 | 171.5 | -61.8 | -91.9 | 0 | 0 | 0 | 110 | I1782 S1798 K1799 K1800 A1802 W1807 I1829 C1833 G1834 P1836 | I1782-F1795 HydrophobicContact CD1-CD2 3.62Å; I1782-F1795 HydrophobicContact CD1-CE2 3.83Å; I1782-F1795 HydrophobicContact CD1-CG 4.46Å; F1795-S1798 PolarHBondContact O-N 2.9Å; F1795-S1798 PolarHBondContact O-OG 3.48Å; F1795-K1799 PolarHBondContact O-N 2.97Å; F1795-K1800 WeakPolarHBondContact CD2-O 3.17Å; F1795-K1800 PolarHBondContact N-O 3.43Å; F1795-A1802 HydrophobicContact CE2-CB 3.83Å; F1795-A1802 HydrophobicContact CZ-CB 4.4Å; F1795-W1807 AromaticContact CE1-CH2 3.87Å; F1795-W1807 HydrophobicContact CE1-CH2 3.87Å; F1795-W1807 HydrophobicContact CE1-CZ2 4.02Å; F1795-W1807 HydrophobicContact CE1-CZ3 4.14Å; F1795-W1807 HydrophobicContact CZ-CD2 4.04Å; F1795-W1807 AromaticContact CZ-CE3 3.72Å; F1795-W1807 HydrophobicContact CZ-CE3 3.72Å; F1795-W1807 AromaticContact CZ-CH2 3.85Å; F1795-W1807 HydrophobicContact CZ-CH2 3.85Å; F1795-W1807 HydrophobicContact CZ-CZ2 4.08Å; F1795-W1807 AromaticContact CZ-CZ3 3.66Å; F1795-W1807 HydrophobicContact CZ-CZ3 3.66Å; F1795-I1829 HydrophobicContact CD1-CG2 4.43Å; F1795-I1829 HydrophobicContact CE1-CG2 3.95Å; F1795-I1829 HydrophobicContact CZ-CG2 4.1Å; F1795-C1833 CarbonylContact C-O 3.49Å; F1795-C1833 HydrophobicContact CB-CB 3.6Å; F1795-C1833 WeakPolarHBondContact CB-O 3.45Å; F1795-C1833 HydrophobicContact CD1-CB 4.3Å; F1795-C1833 HydrophobicContact CD2-CB 4.44Å; F1795-C1833 HydrophobicContact CG-CB 3.89Å; F1795-G1834 WeakPolarHBondContact CD1-O 3.4Å; F1795-P1836 HydrophobicContact CD1-CB 3.99Å; F1795-P1836 HydrophobicContact CD1-CG 4.48Å; F1795-P1836 HydrophobicContact CE1-CB 3.76Å; F1795-P1836 HydrophobicContact CE1-CG 4.1Å; F1795-P1836 HydrophobicContact CZ-CB 4.4Å |
| 1796 | E | 74.2 | Confident | 82.8 | Confident | 114 Ų | 114 | 53 Ų | 53 | 53% | 0.533 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 135.4 | 176 | -68.7 | -166.2 | 161.6 | 0 | 0 | 110.6 | C1833 G1834 I1835 T1837 | E1796-C1833 CarbonylContact C-O 3.41Å; E1796-G1834 VanDerWaalsContact O-CA 3.3Å; E1796-G1834 WeakPolarHBondContact O-CA 3.33Å; E1796-I1835 PolarHBondContact N-O 3.3Å; E1796-I1835 PolarHBondContact O-N 3.43Å; E1796-T1837 HydrophobicContact CB-CG2 4.01Å; E1796-T1837 HydrophobicContact CG-CG2 3.78Å |
| 1797 | P | 73.4 | Confident | 82.7 | Confident | 119 Ų | 119 | 52.8 Ų | 52.8 | 77% | 0.773 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -95.7 | -0.4 | 18.1 | 35.1 | -35.8 | 0 | 0 | 0 | 116 | K1799 | P1797-K1799 VanDerWaalsContact C-N 3.32Å; P1797-K1799 PolarHBondContact O-N 2.9Å |
| 1798 | S | 68 | Low | 82.7 | Confident | 42 Ų | 42 | 56.4 Ų | 56.4 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -13.3 | -169.2 | 71.2 | 0 | 0 | 0 | 0 | 115.7 | F1795 K1800 C1833 | F1795-S1798 PolarHBondContact O-N 2.9Å; F1795-S1798 PolarHBondContact O-OG 3.48Å; S1798-K1800 PolarHBondContact O-N 3.34Å; S1798-K1800 PolarHBondContact OG-N 2.87Å; S1798-C1833 VanDerWaalsContact CB-O 3.29Å; S1798-C1833 WeakPolarHBondContact CB-O 3.35Å; S1798-C1833 PolarHBondContact N-O 2.88Å; S1798-C1833 WeakPolarHBondContact OG-CA 3.21Å; S1798-C1833 WeakPolarHBondContact OG-CB 3.5Å; S1798-C1833 PolarHBondContact OG-O 3.46Å |
| 1799 | K | 77.2 | Confident | 82.6 | Confident | 163 Ų | 163 | 60 Ų | 60 | 71% | 0.709 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 24.5 | -173.2 | -60.2 | -171.7 | 176.9 | -172.7 | 0 | 114.3 | F1795 P1797 | F1795-K1799 PolarHBondContact O-N 2.97Å; P1797-K1799 VanDerWaalsContact C-N 3.32Å; P1797-K1799 PolarHBondContact O-N 2.9Å |
| 1800 | K | 83.5 | Confident | 82.8 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 156.3 | 171.9 | -62.8 | -178.3 | 168.6 | -159.1 | 0 | 109.9 | I1782 F1795 S1798 C1833 | I1782-K1800 HydrophobicContact CD1-CB 3.34Å; I1782-K1800 HydrophobicContact CD1-CD 4.15Å; I1782-K1800 HydrophobicContact CD1-CG 4.4Å; I1782-K1800 HydrophobicContact CG1-CB 3.99Å; I1782-K1800 HydrophobicContact CG1-CD 4.34Å; F1795-K1800 WeakPolarHBondContact CD2-O 3.17Å; F1795-K1800 PolarHBondContact N-O 3.43Å; S1798-K1800 PolarHBondContact O-N 3.34Å; S1798-K1800 PolarHBondContact OG-N 2.87Å; K1800-C1833 HydrophobicContact CD-CB 4.43Å |
| 1801 | G | 85.5 | Confident | 83.2 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 164.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1782 I1793 | I1782-G1801 WeakPolarHBondContact CG1-O 3.29Å; I1782-G1801 PolarHBondContact N-O 3.47Å; I1793-G1801 CarbonylContact O-C 3.6Å; I1793-G1801 WeakPolarHBondContact O-CA 3.36Å |
| 1802 | A | 87.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 149.7 | 167 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1783 I1793 F1795 Q1804 W1807 | I1783-A1802 HydrophobicContact CD1-CB 4.5Å; I1793-A1802 PolarHBondContact N-O 3.25Å; I1793-A1802 PolarHBondContact O-N 2.73Å; F1795-A1802 HydrophobicContact CE2-CB 3.83Å; F1795-A1802 HydrophobicContact CZ-CB 4.4Å; A1802-Q1804 PolarHBondContact O-N 2.92Å; A1802-W1807 HydrophobicContact CB-CB 4.22Å; A1802-W1807 HydrophobicContact CB-CE3 4.47Å |
| 1803 | I | 88.7 | Confident | 83.7 | Confident | 31 Ų | 31 | 53 Ų | 53 | 16% | 0.159 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 123.5 | 170.6 | -63.7 | 167 | 0 | 0 | 0 | 107.8 | C1781 I1788 I1805 N1806 W1807 | C1781-I1803 HydrophobicContact CB-CD1 4.04Å; C1781-I1803 HydrophobicContact CB-CG1 4Å; C1781-I1803 PolarHBondContact SG-N 3.44Å; I1788-I1803 HydrophobicContact CG1-CG1 4Å; I1803-I1805 VanDerWaalsContact C-N 3.27Å; I1803-I1805 HydrophobicContact CG2-CB 4.4Å; I1803-I1805 PolarHBondContact O-N 3.11Å; I1803-N1806 HydrophobicContact CB-CB 4.22Å; I1803-N1806 PolarHBondContact O-N 3.2Å; I1803-W1807 PolarHBondContact O-N 3.5Å |
| 1804 | Q | 87.7 | Confident | 83.6 | Confident | 52 Ų | 52 | 52.5 Ų | 52.5 | 24% | 0.243 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -54.1 | -41.1 | -173.3 | -178.7 | -176.9 | 44.1 | 0 | 0 | 112.7 | N1791 I1793 A1802 W1807 N1808 | N1791-Q1804 HydrophobicContact CB-CB 4.4Å; N1791-Q1804 WeakPolarHBondContact O-CB 3.45Å; N1791-Q1804 PolarHBondContact O-N 3.03Å; I1793-Q1804 HydrophobicContact CD1-CB 4.1Å; I1793-Q1804 HydrophobicContact CD1-CG 4.05Å; I1793-Q1804 HydrophobicContact CG1-CB 4Å; I1793-Q1804 HydrophobicContact CG1-CG 4.23Å; A1802-Q1804 PolarHBondContact O-N 2.92Å; Q1804-W1807 PolarHBondContact O-N 3.31Å; Q1804-N1808 WeakPolarHBondContact O-CB 3.15Å; Q1804-N1808 PolarHBondContact O-N 3.32Å; Q1804-N1808 PolarHBondContact O-ND2 3.44Å |
| 1805 | I | 87.9 | Confident | 83.6 | Confident | 101 Ų | 101 | 57.9 Ų | 57.9 | 52% | 0.518 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 177.5 | -62.7 | 170.2 | 0 | 0 | 0 | 111 | I1803 N1808 K1809 | I1803-I1805 VanDerWaalsContact C-N 3.27Å; I1803-I1805 HydrophobicContact CG2-CB 4.4Å; I1803-I1805 PolarHBondContact O-N 3.11Å; I1805-N1808 PolarHBondContact O-N 2.88Å; I1805-K1809 HydrophobicContact CG2-CD 4.31Å; I1805-K1809 WeakPolarHBondContact O-CB 2.97Å; I1805-K1809 WeakPolarHBondContact O-CG 3.35Å; I1805-K1809 PolarHBondContact O-N 3.28Å |
| 1806 | N | 87.6 | Confident | 83.4 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.7 | -36.3 | -179.1 | -68.2 | -16.9 | 0 | 0 | 0 | 111.5 | Q1629 T1784 I1803 K1809 F1810 | Q1629-N1806 PolarHBondContact OE1-ND2 2.92Å; T1784-N1806 HydrophobicContact CG2-CB 3.96Å; T1784-N1806 WeakPolarHBondContact CG2-ND2 3.17Å; T1784-N1806 PolarHBondContact OG1-ND2 3.36Å; I1803-N1806 HydrophobicContact CB-CB 4.22Å; I1803-N1806 PolarHBondContact O-N 3.2Å; N1806-K1809 PolarHBondContact O-N 3.05Å; N1806-F1810 VanDerWaalsContact O-CB 3.28Å; N1806-F1810 WeakPolarHBondContact O-CB 3.38Å; N1806-F1810 PolarHBondContact O-N 3.38Å |
| 1807 | W | 88.3 | Confident | 83.2 | Confident | 11 Ų | 11 | 60 Ų | 60 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 172.6 | -178.9 | -105 | 0 | 0 | 0 | 112.5 | I1783 I1793 F1795 A1802 I1803 Q1804 F1810 L1811 I1829 P1836 | I1783-W1807 HydrophobicContact CD1-CB 3.97Å; I1783-W1807 HydrophobicContact CD1-CD2 4.32Å; I1783-W1807 HydrophobicContact CD1-CE3 3.54Å; I1783-W1807 HydrophobicContact CD1-CZ3 4.38Å; I1783-W1807 HydrophobicContact CG1-CE3 4.24Å; I1793-W1807 HydrophobicContact CD1-CB 3.88Å; I1793-W1807 HydrophobicContact CD1-CG 3.74Å; F1795-W1807 AromaticContact CE1-CH2 3.87Å; F1795-W1807 HydrophobicContact CE1-CH2 3.87Å; F1795-W1807 HydrophobicContact CE1-CZ2 4.02Å; F1795-W1807 HydrophobicContact CE1-CZ3 4.14Å; F1795-W1807 HydrophobicContact CZ-CD2 4.04Å; F1795-W1807 AromaticContact CZ-CE3 3.72Å; F1795-W1807 HydrophobicContact CZ-CE3 3.72Å; F1795-W1807 AromaticContact CZ-CH2 3.85Å; F1795-W1807 HydrophobicContact CZ-CH2 3.85Å; F1795-W1807 HydrophobicContact CZ-CZ2 4.08Å; F1795-W1807 AromaticContact CZ-CZ3 3.66Å; F1795-W1807 HydrophobicContact CZ-CZ3 3.66Å; A1802-W1807 HydrophobicContact CB-CB 4.22Å; A1802-W1807 HydrophobicContact CB-CE3 4.47Å; I1803-W1807 PolarHBondContact O-N 3.5Å; Q1804-W1807 PolarHBondContact O-N 3.31Å; W1807-F1810 HydrophobicContact CE3-CD1 4.44Å; W1807-F1810 HydrophobicContact CZ3-CD1 4.24Å; W1807-F1810 PolarHBondContact O-N 3.36Å; W1807-L1811 HydrophobicContact CD2-CD1 4.48Å; W1807-L1811 HydrophobicContact CD2-CG 4.37Å; W1807-L1811 HydrophobicContact CG-CD1 4.49Å; W1807-L1811 HydrophobicContact CH2-CD2 4.44Å; W1807-L1811 HydrophobicContact CZ2-CD1 4.14Å; W1807-L1811 HydrophobicContact CZ2-CD2 3.95Å; W1807-L1811 HydrophobicContact CZ2-CG 4.14Å; W1807-L1811 WeakPolarHBondContact O-CB 3.34Å; W1807-L1811 WeakPolarHBondContact O-CG 3.37Å; W1807-L1811 PolarHBondContact O-N 3.3Å; W1807-I1829 HydrophobicContact CH2-CG2 4.22Å; W1807-I1829 HydrophobicContact CZ3-CD1 4.14Å; W1807-I1829 HydrophobicContact CZ3-CG2 4.04Å; W1807-P1836 HydrophobicContact CZ2-CG 4.37Å |
| 1808 | N | 87.9 | Confident | 83.3 | Confident | 84 Ų | 84 | 62.8 Ų | 62.8 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 177 | -70.5 | -18.6 | 0 | 0 | 0 | 111.7 | Q1804 I1805 L1811 Y1812 | Q1804-N1808 WeakPolarHBondContact O-CB 3.15Å; Q1804-N1808 PolarHBondContact O-N 3.32Å; Q1804-N1808 PolarHBondContact O-ND2 3.44Å; I1805-N1808 PolarHBondContact O-N 2.88Å; N1808-L1811 PolarHBondContact O-N 3.5Å; N1808-Y1812 VanDerWaalsContact O-CB 3.28Å; N1808-Y1812 WeakPolarHBondContact O-CB 3.46Å; N1808-Y1812 PolarHBondContact O-N 3.14Å |
| 1809 | K | 86.1 | Confident | 83.7 | Confident | 88 Ų | 88 | 61.5 Ų | 61.5 | 38% | 0.383 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 172.4 | -77.4 | -177.9 | 178.4 | -174.2 | 0 | 111.3 | E1625 I1626 I1805 N1806 L1811 Y1812 I1813 | E1625-K1809 IonicContact OE2-NZ 3.76Å; I1626-K1809 HydrophobicContact CD1-CB 4.06Å; I1626-K1809 HydrophobicContact CD1-CD 4.24Å; I1805-K1809 HydrophobicContact CG2-CD 4.31Å; I1805-K1809 WeakPolarHBondContact O-CB 2.97Å; I1805-K1809 WeakPolarHBondContact O-CG 3.35Å; I1805-K1809 PolarHBondContact O-N 3.28Å; N1806-K1809 PolarHBondContact O-N 3.05Å; K1809-L1811 PolarHBondContact O-N 2.92Å; K1809-Y1812 WeakPolarHBondContact O-CB 3.49Å; K1809-Y1812 PolarHBondContact O-N 2.93Å; K1809-I1813 WeakPolarHBondContact O-CB 3.45Å; K1809-I1813 WeakPolarHBondContact O-CD1 3.31Å; K1809-I1813 VanDerWaalsContact O-CG1 3.23Å; K1809-I1813 WeakPolarHBondContact O-CG1 3.39Å; K1809-I1813 PolarHBondContact O-N 3.2Å |
| 1810 | F | 87.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.4 | 176.6 | -105.1 | 0 | 0 | 0 | 112.5 | I1612 L1616 I1783 N1806 W1807 I1813 T1814 V1825 K1826 I1829 | I1612-F1810 HydrophobicContact CD1-CD2 4.19Å; I1612-F1810 HydrophobicContact CD1-CE2 3.97Å; I1612-F1810 HydrophobicContact CD1-CZ 4.4Å; I1612-F1810 HydrophobicContact CG1-CE2 4.11Å; L1616-F1810 HydrophobicContact CD2-CD2 3.86Å; L1616-F1810 HydrophobicContact CD2-CE2 4.16Å; I1783-F1810 HydrophobicContact CD1-CB 3.65Å; I1783-F1810 HydrophobicContact CD1-CD1 4.21Å; I1783-F1810 HydrophobicContact CD1-CG 4.07Å; I1783-F1810 HydrophobicContact CG2-CB 4.47Å; N1806-F1810 VanDerWaalsContact O-CB 3.28Å; N1806-F1810 WeakPolarHBondContact O-CB 3.38Å; N1806-F1810 PolarHBondContact O-N 3.38Å; W1807-F1810 HydrophobicContact CE3-CD1 4.44Å; W1807-F1810 HydrophobicContact CZ3-CD1 4.24Å; W1807-F1810 PolarHBondContact O-N 3.36Å; F1810-I1813 PolarHBondContact O-N 2.89Å; F1810-T1814 WeakPolarHBondContact O-CB 3.28Å; F1810-T1814 PolarHBondContact O-N 2.8Å; F1810-T1814 PolarHBondContact O-OG1 2.96Å; F1810-V1825 HydrophobicContact CE2-CG1 4.36Å; F1810-V1825 HydrophobicContact CZ-CB 4.05Å; F1810-V1825 HydrophobicContact CZ-CG1 3.78Å; F1810-K1826 HydrophobicContact CE1-CB 4.21Å; F1810-I1829 HydrophobicContact CE1-CD1 4.44Å |
| 1811 | L | 87 | Confident | 84.2 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 174.7 | -75.7 | -178 | 0 | 0 | 0 | 112.3 | W1807 N1808 K1809 T1814 K1815 K1826 | W1807-L1811 HydrophobicContact CD2-CD1 4.48Å; W1807-L1811 HydrophobicContact CD2-CG 4.37Å; W1807-L1811 HydrophobicContact CG-CD1 4.49Å; W1807-L1811 HydrophobicContact CH2-CD2 4.44Å; W1807-L1811 HydrophobicContact CZ2-CD1 4.14Å; W1807-L1811 HydrophobicContact CZ2-CD2 3.95Å; W1807-L1811 HydrophobicContact CZ2-CG 4.14Å; W1807-L1811 WeakPolarHBondContact O-CB 3.34Å; W1807-L1811 WeakPolarHBondContact O-CG 3.37Å; W1807-L1811 PolarHBondContact O-N 3.3Å; N1808-L1811 PolarHBondContact O-N 3.5Å; K1809-L1811 PolarHBondContact O-N 2.92Å; L1811-T1814 PolarHBondContact O-N 2.87Å; L1811-K1815 WeakPolarHBondContact O-CB 3.42Å; L1811-K1815 VanDerWaalsContact O-CG 3.3Å; L1811-K1815 WeakPolarHBondContact O-CG 3.43Å; L1811-K1815 PolarHBondContact O-N 2.62Å; L1811-K1826 HydrophobicContact CD2-CD 4.1Å; L1811-K1826 HydrophobicContact CD2-CG 4.49Å |
| 1812 | Y | 85.4 | Confident | 84.1 | Confident | 131 Ų | 131 | 60.6 Ų | 60.6 | 51% | 0.514 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 174.3 | 176.8 | -94.3 | 0 | 0 | 0 | 110.7 | N1808 K1809 T1814 K1815 M1816 | N1808-Y1812 VanDerWaalsContact O-CB 3.28Å; N1808-Y1812 WeakPolarHBondContact O-CB 3.46Å; N1808-Y1812 PolarHBondContact O-N 3.14Å; K1809-Y1812 WeakPolarHBondContact O-CB 3.49Å; K1809-Y1812 PolarHBondContact O-N 2.93Å; Y1812-T1814 PolarHBondContact O-N 3.41Å; Y1812-K1815 PolarHBondContact O-N 3.09Å; Y1812-M1816 HydrophobicContact CD1-CG 4.11Å; Y1812-M1816 HydrophobicContact CD2-CE 4.18Å; Y1812-M1816 HydrophobicContact CD2-CG 4.07Å; Y1812-M1816 HydrophobicContact CE1-CG 3.77Å; Y1812-M1816 HydrophobicContact CE2-CE 3.63Å; Y1812-M1816 HydrophobicContact CE2-CG 3.75Å; Y1812-M1816 HydrophobicContact CE2-SD 4.25Å; Y1812-M1816 HydrophobicContact CG-CG 4.25Å; Y1812-M1816 WeakPolarHBondContact O-CB 3.49Å; Y1812-M1816 VanDerWaalsContact O-CG 3.27Å; Y1812-M1816 WeakPolarHBondContact O-CG 3.46Å; Y1812-M1816 PolarHBondContact O-N 3.1Å |
| 1813 | I | 82.2 | Confident | 84.1 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.3 | -49.1 | 175.3 | -69.8 | 159.2 | 0 | 0 | 0 | 110.3 | L1616 T1619 V1623 K1809 F1810 K1815 M1816 T1817 | L1616-I1813 HydrophobicContact CD2-CD1 4.24Å; L1616-I1813 HydrophobicContact CD2-CG2 4.31Å; T1619-I1813 HydrophobicContact CG2-CG2 4Å; V1623-I1813 HydrophobicContact CB-CD1 4.36Å; V1623-I1813 HydrophobicContact CG1-CD1 3.87Å; V1623-I1813 HydrophobicContact CG2-CD1 3.54Å; V1623-I1813 HydrophobicContact CG2-CG1 4.15Å; K1809-I1813 WeakPolarHBondContact O-CB 3.45Å; K1809-I1813 WeakPolarHBondContact O-CD1 3.31Å; K1809-I1813 VanDerWaalsContact O-CG1 3.23Å; K1809-I1813 WeakPolarHBondContact O-CG1 3.39Å; K1809-I1813 PolarHBondContact O-N 3.2Å; F1810-I1813 PolarHBondContact O-N 2.89Å; I1813-K1815 VanDerWaalsContact C-N 3.31Å; I1813-K1815 PolarHBondContact O-N 3.46Å; I1813-M1816 PolarHBondContact O-N 3.41Å; I1813-T1817 HydrophobicContact CG2-CG2 4.12Å; I1813-T1817 WeakPolarHBondContact O-CB 3.48Å; I1813-T1817 WeakPolarHBondContact O-CG2 3.2Å; I1813-T1817 PolarHBondContact O-N 2.98Å; I1813-T1817 PolarHBondContact O-OG1 3.01Å |
| 1814 | T | 83 | Confident | 84.2 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -40.1 | -180 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | F1810 L1811 Y1812 K1818 C1822 L1823 K1826 | F1810-T1814 WeakPolarHBondContact O-CB 3.28Å; F1810-T1814 PolarHBondContact O-N 2.8Å; F1810-T1814 PolarHBondContact O-OG1 2.96Å; L1811-T1814 PolarHBondContact O-N 2.87Å; Y1812-T1814 PolarHBondContact O-N 3.41Å; T1814-K1818 PolarHBondContact O-N 3.08Å; T1814-C1822 HydrophobicContact CG2-CB 4.17Å; T1814-L1823 HydrophobicContact CG2-CD1 4.22Å; T1814-K1826 HydrophobicContact CG2-CD 4.48Å |
| 1815 | K | 82.3 | Confident | 84.3 | Confident | 158 Ų | 158 | 63.2 Ų | 63.2 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.8 | -39.4 | 177.7 | -75.1 | 177.7 | -178.7 | -178.9 | 0 | 113.1 | L1811 Y1812 I1813 | L1811-K1815 WeakPolarHBondContact O-CB 3.42Å; L1811-K1815 VanDerWaalsContact O-CG 3.3Å; L1811-K1815 WeakPolarHBondContact O-CG 3.43Å; L1811-K1815 PolarHBondContact O-N 2.62Å; Y1812-K1815 PolarHBondContact O-N 3.09Å; I1813-K1815 VanDerWaalsContact C-N 3.31Å; I1813-K1815 PolarHBondContact O-N 3.46Å |
| 1816 | M | 79.8 | Confident | 84.2 | Confident | 110 Ų | 110 | 61 Ų | 61 | 54% | 0.542 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -80.3 | -43.9 | -174.5 | -71.5 | -66 | 152.5 | 0 | 0 | 112.6 | Y1812 I1813 | Y1812-M1816 HydrophobicContact CD1-CG 4.11Å; Y1812-M1816 HydrophobicContact CD2-CE 4.18Å; Y1812-M1816 HydrophobicContact CD2-CG 4.07Å; Y1812-M1816 HydrophobicContact CE1-CG 3.77Å; Y1812-M1816 HydrophobicContact CE2-CE 3.63Å; Y1812-M1816 HydrophobicContact CE2-CG 3.75Å; Y1812-M1816 HydrophobicContact CE2-SD 4.25Å; Y1812-M1816 HydrophobicContact CG-CG 4.25Å; Y1812-M1816 WeakPolarHBondContact O-CB 3.49Å; Y1812-M1816 VanDerWaalsContact O-CG 3.27Å; Y1812-M1816 WeakPolarHBondContact O-CG 3.46Å; Y1812-M1816 PolarHBondContact O-N 3.1Å; I1813-M1816 PolarHBondContact O-N 3.41Å |
| 1817 | T | 71.3 | Confident | 84.3 | Confident | 48 Ų | 48 | 65.3 Ų | 65.3 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -81.4 | -23.4 | -175.3 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | T1619 I1813 S1819 | T1619-T1817 HydrophobicContact CG2-CG2 3.4Å; I1813-T1817 HydrophobicContact CG2-CG2 4.12Å; I1813-T1817 WeakPolarHBondContact O-CB 3.48Å; I1813-T1817 WeakPolarHBondContact O-CG2 3.2Å; I1813-T1817 PolarHBondContact O-N 2.98Å; I1813-T1817 PolarHBondContact O-OG1 3.01Å; T1817-S1819 PolarHBondContact O-N 3.11Å; T1817-S1819 VanDerWaalsContact O-N 3.08Å; T1817-S1819 PolarHBondContact OG1-N 3.21Å |
| 1818 | K | 75.3 | Confident | 84.4 | Confident | 179 Ų | 179 | 65 Ų | 65 | 78% | 0.778 | 31% | 0.309 | S | S | * | . | trans | 49.8 | 28.9 | -170.2 | -59.1 | -179.2 | 179.8 | 177 | 0 | 112.7 | T1814 I1820 | T1814-K1818 PolarHBondContact O-N 3.08Å; K1818-I1820 PolarHBondContact O-N 2.87Å | ||
| 1819 | S | 76.9 | Confident | 84.4 | Confident | 14 Ų | 14 | 61 Ų | 61 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | trans | -62.3 | 126 | 175.3 | 156 | 0 | 0 | 0 | 0 | 109.4 | T1817 E1821 C1822 L1823 | T1817-S1819 PolarHBondContact O-N 3.11Å; T1817-S1819 VanDerWaalsContact O-N 3.08Å; T1817-S1819 PolarHBondContact OG1-N 3.21Å; S1819-E1821 PolarHBondContact O-N 3.5Å; S1819-E1821 PolarHBondContact OG-N 3.14Å; S1819-E1821 PolarHBondContact OG-OE2 3.01Å; S1819-C1822 PolarHBondContact O-N 3.06Å; S1819-C1822 PolarHBondContact OG-N 3.3Å; S1819-C1822 VanDerWaalsContact OG-N 3.08Å; S1819-L1823 PolarHBondContact O-N 2.83Å | ||
| 1820 | I | 84.1 | Confident | 84.4 | Confident | 136 Ų | 136 | 60.3 Ų | 60.3 | 70% | 0.697 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.7 | -35.6 | 177.7 | -63.7 | 165.9 | 0 | 0 | 0 | 109.3 | K1818 L1823 N1824 | K1818-I1820 PolarHBondContact O-N 2.87Å; I1820-L1823 PolarHBondContact O-N 2.92Å; I1820-N1824 WeakPolarHBondContact O-CB 3.31Å; I1820-N1824 PolarHBondContact O-N 2.83Å |
| 1821 | E | 86 | Confident | 84.4 | Confident | 63 Ų | 63 | 66.5 Ų | 66.5 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.4 | -48.1 | 178.3 | -54.8 | 78.9 | -170.7 | 0 | 0 | 111.4 | Y1568 A1615 S1819 L1823 N1824 V1825 | Y1568-E1821 HydrophobicContact CD1-CB 3.7Å; Y1568-E1821 HydrophobicContact CD1-CG 3.38Å; Y1568-E1821 HydrophobicContact CD2-CB 3.96Å; Y1568-E1821 HydrophobicContact CD2-CG 4.35Å; Y1568-E1821 HydrophobicContact CE1-CB 3.65Å; Y1568-E1821 HydrophobicContact CE1-CG 3.74Å; Y1568-E1821 HydrophobicContact CE2-CB 3.9Å; Y1568-E1821 HydrophobicContact CG-CB 3.85Å; Y1568-E1821 HydrophobicContact CG-CG 3.72Å; Y1568-E1821 PolarHBondContact OH-O 2.89Å; A1615-E1821 HydrophobicContact CB-CB 3.88Å; S1819-E1821 PolarHBondContact O-N 3.5Å; S1819-E1821 PolarHBondContact OG-N 3.14Å; S1819-E1821 PolarHBondContact OG-OE2 3.01Å; E1821-L1823 PolarHBondContact O-N 2.87Å; E1821-N1824 PolarHBondContact O-N 2.71Å; E1821-V1825 WeakPolarHBondContact O-CG2 3.42Å; E1821-V1825 PolarHBondContact O-N 3.42Å |
| 1822 | C | 85 | Confident | 84.4 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 175.9 | -74.8 | 0 | 0 | 0 | 0 | 112 | A1615 T1814 S1819 V1825 K1826 | A1615-C1822 PolarHBondContact O-SG 2.85Å; T1814-C1822 HydrophobicContact CG2-CB 4.17Å; S1819-C1822 PolarHBondContact O-N 3.06Å; S1819-C1822 PolarHBondContact OG-N 3.3Å; S1819-C1822 VanDerWaalsContact OG-N 3.08Å; C1822-V1825 PolarHBondContact O-N 3.32Å; C1822-K1826 PolarHBondContact O-N 3.15Å |
| 1823 | L | 87.5 | Confident | 84.3 | Confident | 83 Ų | 83 | 60.1 Ų | 60.1 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.2 | -165.4 | 83.2 | 0 | 0 | 0 | 111.3 | T1814 S1819 I1820 E1821 V1825 K1826 E1827 | T1814-L1823 HydrophobicContact CG2-CD1 4.22Å; S1819-L1823 PolarHBondContact O-N 2.83Å; I1820-L1823 PolarHBondContact O-N 2.92Å; E1821-L1823 PolarHBondContact O-N 2.87Å; L1823-V1825 VanDerWaalsContact C-N 3.34Å; L1823-V1825 PolarHBondContact O-N 3.01Å; L1823-K1826 WeakPolarHBondContact O-CB 3.24Å; L1823-K1826 PolarHBondContact O-N 3.41Å; L1823-K1826 VanDerWaalsContact O-N 3.13Å; L1823-E1827 WeakPolarHBondContact O-CG 3.21Å; L1823-E1827 PolarHBondContact O-N 2.7Å |
| 1824 | N | 89.5 | Confident | 84.3 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 177 | 176.9 | -77.2 | 0 | 0 | 0 | 112.3 | Y1568 R1575 I1820 E1821 K1826 F1828 | Y1568-N1824 VanDerWaalsContact OH-CB 3.27Å; Y1568-N1824 WeakPolarHBondContact OH-CB 3.47Å; Y1568-N1824 PolarHBondContact OH-OD1 2.95Å; R1575-N1824 PolarHBondContact NH2-OD1 3.46Å; I1820-N1824 WeakPolarHBondContact O-CB 3.31Å; I1820-N1824 PolarHBondContact O-N 2.83Å; E1821-N1824 PolarHBondContact O-N 2.71Å; N1824-K1826 VanDerWaalsContact C-N 3.34Å; N1824-F1828 VanDerWaalsContact O-CB 3.3Å; N1824-F1828 WeakPolarHBondContact O-CB 3.07Å; N1824-F1828 PolarHBondContact O-N 2.7Å |
| 1825 | V | 89.4 | Confident | 84 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 171.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | Y1568 I1612 A1615 F1810 E1821 C1822 L1823 F1828 I1829 | Y1568-V1825 HydrophobicContact CE2-CG2 3.69Å; I1612-V1825 HydrophobicContact CB-CG1 4.09Å; I1612-V1825 HydrophobicContact CD1-CG1 3.92Å; I1612-V1825 HydrophobicContact CG1-CG1 3.92Å; A1615-V1825 HydrophobicContact CB-CG2 3.96Å; F1810-V1825 HydrophobicContact CE2-CG1 4.36Å; F1810-V1825 HydrophobicContact CZ-CB 4.05Å; F1810-V1825 HydrophobicContact CZ-CG1 3.78Å; E1821-V1825 WeakPolarHBondContact O-CG2 3.42Å; E1821-V1825 PolarHBondContact O-N 3.42Å; C1822-V1825 PolarHBondContact O-N 3.32Å; L1823-V1825 VanDerWaalsContact C-N 3.34Å; L1823-V1825 PolarHBondContact O-N 3.01Å; V1825-F1828 PolarHBondContact O-N 3.44Å; V1825-I1829 VanDerWaalsContact O-CG1 3.29Å; V1825-I1829 PolarHBondContact O-N 3.44Å; V1825-I1829 WeakPolarHBondContact O-CG1 3.34Å; V1825-I1829 HydrophobicContact CG1-CG1 4.37Å; V1825-I1829 HydrophobicContact CG1-CD1 3.86Å |
| 1826 | K | 87.5 | Confident | 83.6 | Confident | 56 Ų | 56 | 60.4 Ų | 60.4 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.6 | -50.3 | 176.7 | -174.6 | -166.1 | 174.4 | -119 | 0 | 111.4 | F1810 L1811 T1814 C1822 L1823 N1824 F1828 I1829 E1830 | F1810-K1826 HydrophobicContact CE1-CB 4.21Å; L1811-K1826 HydrophobicContact CD2-CD 4.1Å; L1811-K1826 HydrophobicContact CD2-CG 4.49Å; T1814-K1826 HydrophobicContact CG2-CD 4.48Å; C1822-K1826 PolarHBondContact O-N 3.15Å; L1823-K1826 WeakPolarHBondContact O-CB 3.24Å; L1823-K1826 PolarHBondContact O-N 3.41Å; L1823-K1826 VanDerWaalsContact O-N 3.13Å; N1824-K1826 VanDerWaalsContact C-N 3.34Å; K1826-F1828 VanDerWaalsContact C-N 3.29Å; K1826-F1828 PolarHBondContact O-N 3.28Å; K1826-I1829 PolarHBondContact O-N 2.79Å; K1826-I1829 VanDerWaalsContact O-N 3.17Å; K1826-E1830 IonicContact NZ-OE1 3.49Å; K1826-E1830 PolarHBondContact O-N 2.86Å; K1826-E1830 WeakPolarHBondContact O-CG 3.45Å; K1826-E1830 IonicContact NZ-OE2 3.94Å; K1826-E1830 PolarHBondContact NZ-OE1 3.23Å; K1826-E1830 WeakPolarHBondContact CE-OE1 3.4Å |
| 1827 | E | 87.7 | Confident | 83 | Confident | 103 Ų | 103 | 56.9 Ų | 56.9 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 177.3 | -71.5 | 174.1 | 178.3 | 0 | 0 | 111.5 | L1823 E1830 Q1831 | L1823-E1827 WeakPolarHBondContact O-CG 3.21Å; L1823-E1827 PolarHBondContact O-N 2.7Å; E1827-E1830 PolarHBondContact O-N 3.42Å; E1827-Q1831 WeakPolarHBondContact O-CB 3.23Å; E1827-Q1831 PolarHBondContact O-N 2.89Å |
| 1828 | F | 90.8 | Very high | 82.5 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 2% | 0.022 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 175.4 | 179.6 | -92.7 | 0 | 0 | 0 | 112.6 | R1575 F1579 L1604 H1608 N1824 V1825 K1826 E1830 Q1831 W1832 | R1575-F1828 VanDerWaalsContact CD-CE1 3.44Å; R1575-F1828 HydrophobicContact CG-CD1 4.34Å; R1575-F1828 HydrophobicContact CG-CD2 4.46Å; R1575-F1828 HydrophobicContact CG-CE1 3.75Å; R1575-F1828 HydrophobicContact CG-CE2 3.88Å; R1575-F1828 HydrophobicContact CG-CZ 3.5Å; R1575-F1828 VanDerWaalsContact CG-CZ 3.5Å; R1575-F1828 VanDerWaalsContact NE-CD2 3.32Å; F1579-F1828 HydrophobicContact CB-CE2 3.82Å; F1579-F1828 HydrophobicContact CB-CZ 4.07Å; F1579-F1828 AromaticContact CD1-CE2 3.85Å; F1579-F1828 HydrophobicContact CD1-CE2 3.85Å; F1579-F1828 HydrophobicContact CD2-CE2 4.23Å; F1579-F1828 HydrophobicContact CD2-CZ 4.21Å; F1579-F1828 HydrophobicContact CE1-CE2 4.41Å; F1579-F1828 AromaticContact CG-CE2 3.71Å; F1579-F1828 HydrophobicContact CG-CE2 3.71Å; F1579-F1828 HydrophobicContact CG-CZ 4.06Å; L1604-F1828 HydrophobicContact CD1-CZ 4.15Å; H1608-F1828 AromaticContact ND1-CD1 3.7Å; H1608-F1828 AromaticContact ND1-CE1 3.74Å; N1824-F1828 VanDerWaalsContact O-CB 3.3Å; N1824-F1828 WeakPolarHBondContact O-CB 3.07Å; N1824-F1828 PolarHBondContact O-N 2.7Å; V1825-F1828 PolarHBondContact O-N 3.44Å; K1826-F1828 VanDerWaalsContact C-N 3.29Å; K1826-F1828 PolarHBondContact O-N 3.28Å; F1828-E1830 VanDerWaalsContact C-N 3.34Å; F1828-Q1831 PolarHBondContact O-N 3.38Å; F1828-W1832 HydrophobicContact CD1-CB 4.38Å; F1828-W1832 PolarHBondContact O-N 2.91Å; F1828-W1832 WeakPolarHBondContact O-CB 3.43Å; F1828-W1832 HydrophobicContact CZ-CG 4.19Å; F1828-W1832 HydrophobicContact CZ-CE3 4.22Å; F1828-W1832 HydrophobicContact CZ-CD2 4.14Å; F1828-W1832 HydrophobicContact CZ-CB 4.1Å; F1828-W1832 HydrophobicContact CE1-CZ3 4.2Å; F1828-W1832 HydrophobicContact CE1-CE3 3.52Å; F1828-W1832 AromaticContact CE1-CE3 3.52Å; F1828-W1832 HydrophobicContact CE1-CD2 3.87Å; F1828-W1832 AromaticContact CE1-CD2 3.87Å; F1828-W1832 HydrophobicContact CE1-CB 3.96Å; F1828-W1832 HydrophobicContact CD1-CE3 4.39Å; F1828-W1832 HydrophobicContact CE1-CG 4.15Å |
| 1829 | I | 88.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.4 | -68.7 | 168 | 0 | 0 | 0 | 110 | I1782 F1795 W1807 F1810 V1825 K1826 Q1831 W1832 C1833 | I1782-I1829 HydrophobicContact CG2-CD1 3.86Å; I1782-I1829 HydrophobicContact CG2-CG1 3.9Å; I1782-I1829 HydrophobicContact CG2-CG2 4.27Å; F1795-I1829 HydrophobicContact CD1-CG2 4.43Å; F1795-I1829 HydrophobicContact CE1-CG2 3.95Å; F1795-I1829 HydrophobicContact CZ-CG2 4.1Å; W1807-I1829 HydrophobicContact CH2-CG2 4.22Å; W1807-I1829 HydrophobicContact CZ3-CD1 4.14Å; W1807-I1829 HydrophobicContact CZ3-CG2 4.04Å; F1810-I1829 HydrophobicContact CE1-CD1 4.44Å; V1825-I1829 VanDerWaalsContact O-CG1 3.29Å; V1825-I1829 PolarHBondContact O-N 3.44Å; V1825-I1829 WeakPolarHBondContact O-CG1 3.34Å; V1825-I1829 HydrophobicContact CG1-CG1 4.37Å; V1825-I1829 HydrophobicContact CG1-CD1 3.86Å; K1826-I1829 PolarHBondContact O-N 2.79Å; K1826-I1829 VanDerWaalsContact O-N 3.17Å; I1829-Q1831 VanDerWaalsContact C-N 3.33Å; I1829-Q1831 PolarHBondContact O-N 3.44Å; I1829-W1832 PolarHBondContact O-N 3.38Å; I1829-C1833 HydrophobicContact CG2-CB 4.36Å; I1829-C1833 PolarHBondContact O-N 3.24Å; I1829-C1833 WeakPolarHBondContact O-CB 3.37Å; I1829-C1833 WeakPolarHBondContact O-CA 3.33Å |
| 1830 | E | 86 | Confident | 80.1 | Confident | 72 Ų | 72 | 62.6 Ų | 62.6 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 175.7 | -70.9 | 173.3 | 177.9 | 0 | 0 | 111.4 | K1826 E1827 F1828 G1834 | K1826-E1830 IonicContact NZ-OE1 3.49Å; K1826-E1830 PolarHBondContact O-N 2.86Å; K1826-E1830 WeakPolarHBondContact O-CG 3.45Å; K1826-E1830 IonicContact NZ-OE2 3.94Å; K1826-E1830 PolarHBondContact NZ-OE1 3.23Å; K1826-E1830 WeakPolarHBondContact CE-OE1 3.4Å; E1827-E1830 PolarHBondContact O-N 3.42Å; F1828-E1830 VanDerWaalsContact C-N 3.34Å; E1830-G1834 CarbonylContact O-C 3.46Å; E1830-G1834 WeakPolarHBondContact O-CA 3.44Å; E1830-G1834 PolarHBondContact O-N 3.18Å |
| 1831 | Q | 87.1 | Confident | 78.4 | Confident | 131 Ų | 131 | 61.3 Ų | 61.3 | 61% | 0.612 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -72.9 | -39.7 | 177.2 | -168.4 | -176.7 | 11.9 | 0 | 0 | 113.3 | F1579 E1827 F1828 I1829 | F1579-Q1831 HydrophobicContact CE1-CG 4Å; F1579-Q1831 HydrophobicContact CZ-CG 4.07Å; E1827-Q1831 WeakPolarHBondContact O-CB 3.23Å; E1827-Q1831 PolarHBondContact O-N 2.89Å; F1828-Q1831 PolarHBondContact O-N 3.38Å; I1829-Q1831 VanDerWaalsContact C-N 3.33Å; I1829-Q1831 PolarHBondContact O-N 3.44Å |
| 1832 | W | 87.3 | Confident | 78 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -81.8 | -43 | -176.3 | -175.8 | 25 | 0 | 0 | 0 | 112.4 | F1579 L1604 L1605 H1608 F1828 I1829 | F1579-W1832 HydrophobicContact CD2-CB 4.49Å; F1579-W1832 AromaticContact CD2-CD1 3.78Å; F1579-W1832 HydrophobicContact CD2-CG 4.19Å; F1579-W1832 HydrophobicContact CE2-CB 3.95Å; F1579-W1832 AromaticContact CE2-CD1 3.45Å; F1579-W1832 VanDerWaalsContact CE2-CD1 3.45Å; F1579-W1832 AromaticContact CE2-CG 3.92Å; F1579-W1832 HydrophobicContact CE2-CG 3.92Å; F1579-W1832 HydrophobicContact CZ-CB 4.35Å; L1604-W1832 HydrophobicContact CB-CZ2 4.29Å; L1604-W1832 HydrophobicContact CD2-CD2 4.42Å; L1604-W1832 VanDerWaalsContact CD2-CE2 3.45Å; L1604-W1832 HydrophobicContact CD2-CH2 4.26Å; L1604-W1832 HydrophobicContact CD2-CZ2 3.32Å; L1604-W1832 HydrophobicContact CG-CH2 3.92Å; L1604-W1832 HydrophobicContact CG-CZ2 3.46Å; L1604-W1832 VanDerWaalsContact CG-CZ2 3.46Å; L1605-W1832 HydrophobicContact CB-CH2 4.26Å; L1605-W1832 HydrophobicContact CD1-CH2 3.94Å; L1605-W1832 HydrophobicContact CD1-CZ3 4.33Å; H1608-W1832 HydrophobicContact CB-CH2 4.45Å; H1608-W1832 HydrophobicContact CB-CZ3 3.98Å; H1608-W1832 AromaticContact CG-CZ3 3.87Å; F1828-W1832 HydrophobicContact CD1-CB 4.38Å; F1828-W1832 PolarHBondContact O-N 2.91Å; F1828-W1832 WeakPolarHBondContact O-CB 3.43Å; F1828-W1832 HydrophobicContact CZ-CG 4.19Å; F1828-W1832 HydrophobicContact CZ-CE3 4.22Å; F1828-W1832 HydrophobicContact CZ-CD2 4.14Å; F1828-W1832 HydrophobicContact CZ-CB 4.1Å; F1828-W1832 HydrophobicContact CE1-CZ3 4.2Å; F1828-W1832 HydrophobicContact CE1-CE3 3.52Å; F1828-W1832 AromaticContact CE1-CE3 3.52Å; F1828-W1832 HydrophobicContact CE1-CD2 3.87Å; F1828-W1832 AromaticContact CE1-CD2 3.87Å; F1828-W1832 HydrophobicContact CE1-CB 3.96Å; F1828-W1832 HydrophobicContact CD1-CE3 4.39Å; F1828-W1832 HydrophobicContact CE1-CG 4.15Å; I1829-W1832 PolarHBondContact O-N 3.38Å |
| 1833 | C | 83 | Confident | 77.6 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -102.2 | -26.6 | -169.9 | -50 | 0 | 0 | 0 | 0 | 112.7 | I1782 F1795 E1796 S1798 K1800 I1829 | I1782-C1833 HydrophobicContact CD1-CB 4.11Å; I1782-C1833 VanDerWaalsContact CD1-SG 3.52Å; F1795-C1833 CarbonylContact C-O 3.49Å; F1795-C1833 HydrophobicContact CB-CB 3.6Å; F1795-C1833 WeakPolarHBondContact CB-O 3.45Å; F1795-C1833 HydrophobicContact CD1-CB 4.3Å; F1795-C1833 HydrophobicContact CD2-CB 4.44Å; F1795-C1833 HydrophobicContact CG-CB 3.89Å; E1796-C1833 CarbonylContact C-O 3.41Å; S1798-C1833 VanDerWaalsContact CB-O 3.29Å; S1798-C1833 WeakPolarHBondContact CB-O 3.35Å; S1798-C1833 PolarHBondContact N-O 2.88Å; S1798-C1833 WeakPolarHBondContact OG-CA 3.21Å; S1798-C1833 WeakPolarHBondContact OG-CB 3.5Å; S1798-C1833 PolarHBondContact OG-O 3.46Å; K1800-C1833 HydrophobicContact CD-CB 4.43Å; I1829-C1833 HydrophobicContact CG2-CB 4.36Å; I1829-C1833 PolarHBondContact O-N 3.24Å; I1829-C1833 WeakPolarHBondContact O-CB 3.37Å; I1829-C1833 WeakPolarHBondContact O-CA 3.33Å |
| 1834 | G | 81.8 | Confident | 77.1 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 12% | 0.124 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 97.8 | -165.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1795 E1796 E1830 | F1795-G1834 WeakPolarHBondContact CD1-O 3.4Å; E1796-G1834 VanDerWaalsContact O-CA 3.3Å; E1796-G1834 WeakPolarHBondContact O-CA 3.33Å; E1830-G1834 CarbonylContact O-C 3.46Å; E1830-G1834 WeakPolarHBondContact O-CA 3.44Å; E1830-G1834 PolarHBondContact O-N 3.18Å |
| 1835 | I | 78.2 | Confident | 76.4 | Confident | 129 Ų | 129 | 63.9 Ų | 63.9 | 66% | 0.662 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 137.7 | -176.4 | -57.1 | 170.1 | 0 | 0 | 0 | 108.6 | E1796 T1837 | E1796-I1835 PolarHBondContact N-O 3.3Å; E1796-I1835 PolarHBondContact O-N 3.43Å; I1835-T1837 PolarHBondContact O-N 2.96Å |
| 1836 | P | 73.1 | Confident | 75.6 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 29% | 0.286 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 122.4 | 175.3 | 24.2 | -32 | 0 | 0 | 0 | 110.5 | I1793 F1795 W1807 | I1793-P1836 HydrophobicContact CG2-CB 3.61Å; F1795-P1836 HydrophobicContact CD1-CB 3.99Å; F1795-P1836 HydrophobicContact CD1-CG 4.48Å; F1795-P1836 HydrophobicContact CE1-CB 3.76Å; F1795-P1836 HydrophobicContact CE1-CG 4.1Å; F1795-P1836 HydrophobicContact CZ-CB 4.4Å; W1807-P1836 HydrophobicContact CZ2-CG 4.37Å |
| 1837 | T | 67.6 | Low | 74.8 | Confident | 35 Ų | 35 | 68.7 Ų | 68.7 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 143.4 | 173.7 | 53.3 | 0 | 0 | 0 | 0 | 110 | L1794 E1796 I1835 N1839 | L1794-T1837 PolarHBondContact O-N 3.31Å; L1794-T1837 PolarHBondContact O-OG1 3.26Å; L1794-T1837 VanDerWaalsContact O-OG1 3.1Å; E1796-T1837 HydrophobicContact CB-CG2 4.01Å; E1796-T1837 HydrophobicContact CG-CG2 3.78Å; I1835-T1837 PolarHBondContact O-N 2.96Å; T1837-N1839 PolarHBondContact O-N 3.35Å |
| 1838 | S | 59.1 | Low | 73.8 | Confident | 117 Ų | 117 | 66.3 Ų | 66.3 | 82% | 0.818 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 12.9 | 177 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | E1840 | S1838-E1840 PolarHBondContact O-N 3.09Å |
| 1839 | N | 54.2 | Low | 72.5 | Confident | 102 Ų | 102 | 71 Ų | 71 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 106.6 | 175.4 | -70.1 | -16.4 | 0 | 0 | 0 | 108.3 | T1837 | T1837-N1839 PolarHBondContact O-N 3.35Å |
| 1840 | E | 48.8 | Very low | 71.2 | Confident | 142 Ų | 142 | 76.9 Ų | 76.9 | 66% | 0.664 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 129.1 | 176.3 | -61.1 | -176.3 | 152.2 | 0 | 0 | 110 | S1838 | S1838-E1840 PolarHBondContact O-N 3.09Å |
| 1841 | I | 48 | Very low | 69.8 | Low | 109 Ų | 109 | 77.4 Ų | 77.4 | 56% | 0.559 | 42% | 0.418 | S | S | * | . | trans | -81.4 | 0 | 172.8 | -53.3 | 168.4 | 0 | 0 | 0 | 111 | I1788 N1791 G1792 L1794 | I1788-I1841 HydrophobicContact CG2-CD1 4.3Å; N1791-I1841 PolarHBondContact N-O 3.39Å; G1792-I1841 PolarHBondContact N-O 2.9Å; G1792-I1841 PolarHBondContact O-N 3.07Å; L1794-I1841 HydrophobicContact CD1-CD1 3.73Å; L1794-I1841 HydrophobicContact CD1-CG1 3.39Å; L1794-I1841 HydrophobicContact CD2-CD1 3.92Å; L1794-I1841 HydrophobicContact CG-CD1 3.41Å; L1794-I1841 VanDerWaalsContact CG-CD1 3.41Å; L1794-I1841 HydrophobicContact CG-CG1 3.61Å |
Retrieved 1,841 of 1,841 residues in 1987.4 ms
(Link to these results)